#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3is7 s ASP 4 N 0.00 7.19 0.19 1.61 2.15 -1.26 -4.94 116.67 121.61 3is7 s ASP 4 Ca 0.00 2.06 -0.10 0.00 0.43 0.00 0.00 52.55 54.94 3is7 s ASP 4 Cb 0.00 -2.59 0.12 0.00 -0.30 0.00 0.00 42.92 40.15 3is7 s ASP 4 CO 0.00 -0.32 1.80 0.50 -0.17 0.00 0.00 175.17 176.98 3is7 h LYS 5 N 5.73 0.99 0.00 4.34 3.64 -2.00 -1.66 116.57 127.61 3is7 h LYS 5 Ca -0.43 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 58.73 3is7 h LYS 5 Cb 1.21 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3is7 h LYS 5 CO 0.75 0.76 -0.43 0.87 -2.27 0.00 0.00 179.45 179.13 3is7 h LYS 6 N 0.97 0.00 -0.09 1.90 1.57 -1.99 -1.77 116.57 117.15 3is7 h LYS 6 Ca 0.24 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3is7 h LYS 6 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3is7 h LYS 6 CO -0.04 0.43 0.02 0.28 -0.57 0.00 0.00 179.45 179.58 3is7 h VAL 7 N 0.00 0.97 -0.83 0.50 2.07 -1.80 -1.46 116.25 115.70 3is7 h VAL 7 Ca -0.00 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.53 3is7 h VAL 7 Cb 0.96 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 3is7 h VAL 7 CO 0.06 0.01 0.54 0.40 0.02 0.00 0.00 177.57 178.60 3is7 h ILE 8 N 0.06 1.13 -0.46 4.57 2.04 -1.11 0.47 117.51 124.21 3is7 h ILE 8 Ca 0.04 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 3is7 h ILE 8 Cb 0.03 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 3is7 h ILE 8 CO -0.05 0.18 -0.00 1.56 0.00 0.00 0.00 178.15 179.84 3is7 h GLN 9 N 1.01 0.81 -0.71 2.37 4.20 -1.11 -0.99 115.11 120.70 3is7 h GLN 9 Ca 0.33 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3is7 h GLN 9 Cb 0.05 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3is7 h GLN 9 CO -0.10 0.87 0.36 0.45 -0.67 0.00 0.00 178.83 179.73 3is7 h HIS 10 N 0.66 1.01 -0.63 2.96 3.86 -0.56 -0.02 115.15 122.43 3is7 h HIS 10 Ca 0.13 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 3is7 h HIS 10 Cb 0.50 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 3is7 h HIS 10 CO 0.04 0.74 0.12 -0.07 0.86 0.00 0.00 177.93 179.62 3is7 h LEU 11 N 0.99 0.96 -0.71 2.43 3.38 -0.62 0.09 115.31 121.83 3is7 h LEU 11 Ca 0.25 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3is7 h LEU 11 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3is7 h LEU 11 CO -0.03 0.95 -0.09 0.78 0.09 0.00 0.00 178.44 180.14 3is7 h ASN 12 N 0.96 0.89 -0.28 -0.43 2.35 -0.96 0.13 115.58 118.25 3is7 h ASN 12 Ca 0.20 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3is7 h ASN 12 Cb 0.39 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3is7 h ASN 12 CO 0.01 1.00 0.10 0.50 -1.65 0.00 0.00 177.43 177.39 3is7 h LYS 13 N 0.82 0.42 -0.59 0.81 3.64 -0.34 -0.70 116.57 120.62 3is7 h LYS 13 Ca 0.14 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3is7 h LYS 13 Cb 0.60 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 3is7 h LYS 13 CO 0.04 0.46 0.38 0.82 -2.27 0.00 0.00 179.45 178.88 3is7 h ILE 14 N 0.30 1.11 -0.76 2.00 1.08 -0.70 -2.02 117.51 118.52 3is7 h ILE 14 Ca 0.09 -0.26 0.04 0.00 -0.39 0.00 0.00 64.86 64.34 3is7 h ILE 14 Cb 0.21 0.28 -0.05 0.00 -3.07 0.00 0.00 36.82 34.19 3is7 h ILE 14 CO -0.01 0.14 0.47 0.25 -0.69 0.00 0.00 178.15 178.31 3is7 h LEU 15 N 0.76 0.76 -1.06 1.44 5.85 -0.42 -1.11 115.31 121.53 3is7 h LEU 15 Ca 0.23 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.00 3is7 h LEU 15 Cb -0.04 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 3is7 h LEU 15 CO -0.07 0.51 0.63 1.23 -0.34 0.00 0.00 178.44 180.40 3is7 h GLY 16 N 0.90 1.42 1.18 3.75 0.00 -0.71 -0.16 103.07 109.46 3is7 h GLY 16 Ca 0.32 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3is7 h GLY 16 CO -0.13 0.38 0.01 3.43 0.00 0.00 0.00 176.54 180.22 3is7 h ASN 17 N 1.18 0.96 -0.40 0.19 2.35 -0.52 -2.71 115.58 116.63 3is7 h ASN 17 Ca 0.40 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3is7 h ASN 17 Cb 0.07 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3is7 h ASN 17 CO -0.14 1.01 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.32 3is7 h GLU 18 N 0.91 0.80 -0.12 0.81 4.39 -0.32 -2.04 114.58 119.01 3is7 h GLU 18 Ca 0.17 -0.22 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 3is7 h GLU 18 Cb 0.52 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3is7 h GLU 18 CO 0.03 0.82 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.21 3is7 h LEU 19 N 0.75 0.28 -0.21 1.33 3.38 -0.89 0.16 115.31 120.11 3is7 h LEU 19 Ca 0.14 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3is7 h LEU 19 Cb 0.47 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3is7 h LEU 19 CO 0.02 0.67 -0.18 0.40 0.09 0.00 0.00 178.44 179.44 3is7 h ILE 20 N 0.23 1.32 -0.42 1.22 2.04 -1.23 -3.04 117.51 117.63 3is7 h ILE 20 Ca 0.02 -1.32 -0.13 0.00 1.00 0.00 0.00 64.86 64.43 3is7 h ILE 20 Cb 0.82 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 3is7 h ILE 20 CO 0.06 0.40 -0.26 0.00 0.00 0.00 0.00 178.15 178.36 3is7 h ALA 21 N 0.66 0.59 -0.38 1.87 0.00 -0.75 -1.11 119.26 120.15 3is7 h ALA 21 Ca 0.04 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3is7 h ALA 21 Cb 0.71 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 3is7 h ALA 21 CO 0.05 0.61 -0.53 0.82 0.00 0.00 0.00 179.25 180.19 3is7 h ILE 22 N 0.74 0.02 -0.54 0.00 2.04 -0.75 0.26 117.51 119.29 3is7 h ILE 22 Ca 0.09 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 3is7 h ILE 22 Cb 0.83 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3is7 h ILE 22 CO 0.07 0.00 -0.09 0.78 0.00 0.00 0.00 178.15 178.92 3is7 h ASN 23 N -0.41 0.98 -0.06 1.72 4.21 -1.43 -1.20 115.58 119.39 3is7 h ASN 23 Ca 0.08 -0.31 -0.02 0.00 1.21 0.00 0.00 56.30 57.27 3is7 h ASN 23 Cb 0.61 -0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 37.54 3is7 h ASN 23 CO -0.58 1.08 -0.02 -0.61 -1.29 0.00 0.00 177.43 176.01 3is7 h GLN 24 N 0.88 0.13 -0.47 0.81 4.15 -1.03 -1.95 115.11 117.63 3is7 h GLN 24 Ca 0.14 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 3is7 h GLN 24 Cb 0.63 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 3is7 h GLN 24 CO 0.04 0.48 -0.01 1.88 -1.93 0.00 0.00 178.83 179.29 3is7 h TYR 25 N -0.23 0.84 -0.43 3.99 0.05 -0.92 -0.66 116.97 119.60 3is7 h TYR 25 Ca 0.02 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.63 3is7 h TYR 25 Cb 0.44 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 3is7 h TYR 25 CO 0.06 0.78 0.10 0.35 -1.05 0.00 0.00 178.16 178.41 3is7 h PHE 26 N 0.73 0.73 -0.40 4.88 3.04 -1.17 -0.27 116.94 124.49 3is7 h PHE 26 Ca 0.14 -0.09 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 3is7 h PHE 26 Cb 0.46 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 3is7 h PHE 26 CO 0.02 0.68 0.06 1.25 -2.02 0.00 0.00 178.31 178.31 3is7 h LEU 27 N 0.57 0.63 -1.14 0.59 5.85 -1.23 -1.54 115.31 119.04 3is7 h LEU 27 Ca 0.14 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3is7 h LEU 27 Cb 0.32 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3is7 h LEU 27 CO 0.00 0.74 0.59 0.45 -0.34 0.00 0.00 178.44 179.88 3is7 h HIS 28 N 0.50 1.06 -0.07 1.25 3.86 -0.88 -0.32 115.15 120.55 3is7 h HIS 28 Ca 0.12 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3is7 h HIS 28 Cb 0.38 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3is7 h HIS 28 CO 0.03 0.57 -0.01 1.03 0.86 0.00 0.00 177.93 180.40 3is7 h SER 29 N 1.05 -0.06 0.38 2.45 0.87 -0.81 0.05 113.55 117.49 3is7 h SER 29 Ca 0.38 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.88 3is7 h SER 29 Cb 0.16 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3is7 h SER 29 CO -0.14 -0.02 -0.40 0.03 -0.53 0.00 0.00 176.83 175.78 3is7 h ARG 30 N 0.00 0.02 -0.19 2.24 -0.00 -0.87 0.10 114.38 115.67 3is7 h ARG 30 Ca 0.03 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.47 3is7 h ARG 30 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.01 3is7 h ARG 30 CO -0.07 0.41 -0.01 0.52 0.00 0.00 0.00 179.97 180.82 3is7 h MET 31 N 0.02 0.35 -0.93 0.04 2.86 -0.86 0.91 114.93 117.32 3is7 h MET 31 Ca -0.00 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3is7 h MET 31 Cb 0.71 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 3is7 h MET 31 CO 0.05 0.56 0.54 -1.49 1.06 0.00 0.00 176.91 177.64 3is7 h TRP 32 N 0.10 1.24 -0.66 -0.22 6.55 -0.52 -1.80 115.95 120.64 3is7 h TRP 32 Ca 0.05 -0.01 -0.08 0.00 0.95 0.00 0.00 58.89 59.80 3is7 h TRP 32 Cb 0.41 -0.40 -0.03 0.00 -0.86 0.00 0.00 29.16 28.28 3is7 h TRP 32 CO 0.04 0.83 0.11 -0.91 -1.05 0.00 0.00 178.44 177.46 3is7 h ASN 33 N 1.28 1.03 -0.63 -3.49 -0.26 -0.68 -0.59 115.58 112.25 3is7 h ASN 33 Ca 0.33 -0.24 0.01 0.00 -0.56 0.00 0.00 56.30 55.84 3is7 h ASN 33 Cb -0.03 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 36.93 3is7 h ASN 33 CO -0.06 1.02 0.41 -0.78 -1.06 0.00 0.00 177.43 176.96 3is7 h ASP 34 N 1.01 0.70 0.39 5.81 3.58 -0.44 -1.94 116.42 125.52 3is7 h ASP 34 Ca 0.20 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3is7 h ASP 34 Cb 0.42 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.30 3is7 h ASP 34 CO 0.01 0.50 -0.07 0.79 -2.88 0.00 0.00 179.24 177.59 3is7 n TRP 35 N -4.45 0.00 -1.12 0.28 8.01 -0.71 -4.91 117.44 114.54 3is7 n TRP 35 Ca 0.07 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.25 3is7 n TRP 35 Cb 0.07 -0.20 -0.00 0.00 -2.01 0.00 0.00 31.31 29.17 3is7 n TRP 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3is7 n GLY 36 N 1.26 0.41 3.05 6.99 0.00 -0.73 -4.96 105.19 111.20 3is7 n GLY 36 Ca 0.15 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 3is7 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3is7 n LEU 37 N -0.05 6.29 0.09 0.99 4.77 -0.28 -4.46 117.00 124.35 3is7 n LEU 37 Ca -0.00 -5.04 -0.03 0.00 -0.03 0.00 0.00 56.01 50.91 3is7 n LEU 37 Cb 0.07 -1.36 0.18 0.00 -2.33 0.00 0.00 43.42 39.97 3is7 n LEU 37 CO 0.01 1.53 0.56 0.11 -1.33 0.00 0.00 177.39 178.27 3is7 h LYS 38 N 5.76 0.23 -0.23 3.23 1.57 -0.92 -0.81 116.57 125.40 3is7 h LYS 38 Ca 0.24 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 3is7 h LYS 38 Cb 0.67 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3is7 h LYS 38 CO 1.35 0.68 -0.52 -0.09 -0.57 0.00 0.00 179.45 180.30 3is7 h ARG 39 N 0.18 0.65 -0.53 3.15 2.43 -1.50 -1.08 114.38 117.68 3is7 h ARG 39 Ca 0.01 -0.40 -0.04 0.00 -0.81 0.00 0.00 59.98 58.74 3is7 h ARG 39 Cb 0.95 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 3is7 h ARG 39 CO 0.08 1.01 0.16 -0.07 -1.51 0.00 0.00 179.97 179.64 3is7 h LEU 40 N 0.51 0.78 -0.71 3.80 3.38 -1.55 -2.03 115.31 119.49 3is7 h LEU 40 Ca 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3is7 h LEU 40 Cb 1.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3is7 h LEU 40 CO 0.10 0.79 0.45 1.23 0.09 0.00 0.00 178.44 181.10 3is7 h GLY 41 N 0.74 1.02 0.85 0.83 0.00 -0.99 -1.48 103.07 104.05 3is7 h GLY 41 Ca 0.17 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 3is7 h GLY 41 CO -0.00 0.39 -0.02 0.00 0.00 0.00 0.00 176.54 176.90 3is7 h ALA 42 N 1.24 0.35 -0.70 3.60 0.00 -1.17 -1.94 119.26 120.65 3is7 h ALA 42 Ca 0.26 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3is7 h ALA 42 Cb -0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 3is7 h ALA 42 CO -0.05 0.11 0.38 1.25 0.00 0.00 0.00 179.25 180.94 3is7 h HIS 43 N 0.24 0.69 -0.05 0.00 6.17 -1.16 -1.98 115.15 119.06 3is7 h HIS 43 Ca 0.07 0.03 -0.14 0.00 0.71 0.00 0.00 60.37 61.03 3is7 h HIS 43 Cb 0.46 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.18 3is7 h HIS 43 CO 0.04 0.29 -0.62 1.49 0.71 0.00 0.00 177.93 179.85 3is7 h GLU 44 N 0.67 0.18 0.09 5.26 4.57 -1.26 -1.68 114.58 122.42 3is7 h GLU 44 Ca 0.33 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 3is7 h GLU 44 Cb 0.27 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3is7 h GLU 44 CO -0.22 0.74 -0.18 -0.92 -1.18 0.00 0.00 179.01 177.25 3is7 h TYR 45 N 0.13 -0.47 -0.92 0.92 3.20 -1.16 -0.97 116.97 117.70 3is7 h TYR 45 Ca -0.01 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.90 3is7 h TYR 45 Cb 1.12 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.54 3is7 h TYR 45 CO 0.02 -0.27 0.60 0.45 -1.64 0.00 0.00 178.16 177.32 3is7 h HIS 46 N -0.35 1.12 -0.77 -3.82 3.86 -0.98 -0.30 115.15 113.92 3is7 h HIS 46 Ca 0.03 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3is7 h HIS 46 Cb 0.37 -0.38 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3is7 h HIS 46 CO -0.19 0.66 0.40 0.93 0.86 0.00 0.00 177.93 180.60 3is7 h GLU 47 N 1.17 1.08 -0.21 2.45 4.39 -1.10 -0.46 114.58 121.90 3is7 h GLU 47 Ca 0.36 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 3is7 h GLU 47 Cb -0.02 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 3is7 h GLU 47 CO -0.10 0.82 0.12 1.03 -1.16 0.00 0.00 179.01 179.72 3is7 h SER 48 N 1.07 0.25 -0.79 1.42 0.87 -0.47 -1.82 113.55 114.08 3is7 h SER 48 Ca 0.27 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3is7 h SER 48 Cb 0.07 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 3is7 h SER 48 CO -0.04 0.25 0.51 0.40 -0.53 0.00 0.00 176.83 177.41 3is7 h ILE 49 N 0.24 1.14 -0.39 2.23 1.08 -0.86 -1.42 117.51 119.53 3is7 h ILE 49 Ca 0.07 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 64.15 3is7 h ILE 49 Cb 0.04 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 33.82 3is7 h ILE 49 CO -0.01 0.18 0.02 0.44 -0.69 0.00 0.00 178.15 178.09 3is7 h ASP 50 N 1.00 0.57 -0.16 1.72 3.32 -0.72 -1.41 116.42 120.74 3is7 h ASP 50 Ca 0.31 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 3is7 h ASP 50 Cb -0.02 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3is7 h ASP 50 CO -0.10 0.63 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.44 3is7 h GLU 51 N 0.58 0.63 -0.92 3.56 4.39 -0.92 -2.23 114.58 119.67 3is7 h GLU 51 Ca 0.12 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.57 3is7 h GLU 51 Cb 0.34 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 3is7 h GLU 51 CO 0.01 0.84 0.60 0.52 -1.16 0.00 0.00 179.01 179.83 3is7 h MET 52 N 0.54 1.21 -0.06 2.33 2.86 -0.63 -0.33 114.93 120.85 3is7 h MET 52 Ca 0.07 -0.08 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 3is7 h MET 52 Cb 0.76 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3is7 h MET 52 CO 0.06 0.81 -0.65 0.87 1.06 0.00 0.00 176.91 179.05 3is7 h LYS 53 N 1.25 0.24 -0.42 1.72 1.57 -1.07 -1.37 116.57 118.50 3is7 h LYS 53 Ca 0.34 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 3is7 h LYS 53 Cb -0.14 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3is7 h LYS 53 CO -0.07 0.81 -0.18 0.45 -0.57 0.00 0.00 179.45 179.88 3is7 h HIS 54 N 0.17 0.99 -0.60 -1.35 3.86 -1.00 -2.82 115.15 114.40 3is7 h HIS 54 Ca -0.01 -0.24 0.04 0.00 -1.16 0.00 0.00 60.37 58.99 3is7 h HIS 54 Cb 1.18 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 29.37 3is7 h HIS 54 CO 0.02 1.01 0.35 0.00 0.86 0.00 0.00 177.93 180.18 3is7 h ALA 55 N 0.83 0.78 -0.39 2.45 0.00 -0.84 -1.37 119.26 120.73 3is7 h ALA 55 Ca 0.10 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3is7 h ALA 55 Cb 0.74 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3is7 h ALA 55 CO 0.06 0.07 -0.11 0.22 0.00 0.00 0.00 179.25 179.49 3is7 h ASP 56 N 0.69 -0.39 -0.09 0.00 3.58 -1.17 0.57 116.42 119.62 3is7 h ASP 56 Ca 0.25 0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.75 3is7 h ASP 56 Cb 0.07 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3is7 h ASP 56 CO -0.12 -0.14 -0.15 0.11 -2.88 0.00 0.00 179.24 176.06 3is7 h LYS 57 N -0.01 0.44 -0.18 0.28 1.57 -1.21 -1.13 116.57 116.31 3is7 h LYS 57 Ca 0.19 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3is7 h LYS 57 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3is7 h LYS 57 CO -0.41 0.58 -0.00 -0.07 -0.57 0.00 0.00 179.45 178.98 3is7 h LEU 58 N 0.40 0.32 -0.61 2.94 3.38 -0.49 -1.32 115.31 119.94 3is7 h LEU 58 Ca 0.07 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.81 3is7 h LEU 58 Cb 0.50 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3is7 h LEU 58 CO 0.03 0.56 0.27 0.40 0.09 0.00 0.00 178.44 179.79 3is7 h ILE 59 N 0.08 0.84 -0.67 1.22 2.04 -0.69 0.10 117.51 120.43 3is7 h ILE 59 Ca 0.05 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3is7 h ILE 59 Cb 0.39 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3is7 h ILE 59 CO 0.01 0.09 0.22 -0.33 0.00 0.00 0.00 178.15 178.14 3is7 h GLU 60 N 0.49 1.04 -0.37 2.37 5.08 -1.06 -1.38 114.58 120.74 3is7 h GLU 60 Ca 0.29 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3is7 h GLU 60 Cb 0.30 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3is7 h GLU 60 CO -0.25 0.89 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.37 3is7 h ARG 61 N 0.97 0.78 -0.85 2.33 9.65 -0.51 -1.93 114.38 124.83 3is7 h ARG 61 Ca 0.22 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 3is7 h ARG 61 Cb 0.28 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.80 3is7 h ARG 61 CO -0.01 0.97 0.55 0.82 2.80 0.00 0.00 179.97 185.10 3is7 h ILE 62 N 0.58 1.22 -0.25 1.20 2.04 -0.47 -1.17 117.51 120.67 3is7 h ILE 62 Ca 0.08 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 3is7 h ILE 62 Cb 0.74 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3is7 h ILE 62 CO 0.06 0.22 -0.23 -0.07 0.00 0.00 0.00 178.15 178.13 3is7 h LEU 63 N 1.16 0.46 -0.53 1.44 -0.00 -1.08 -0.93 115.31 115.83 3is7 h LEU 63 Ca 0.31 -0.15 -0.16 0.00 -0.00 0.00 0.00 57.88 57.88 3is7 h LEU 63 Cb -0.11 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.42 3is7 h LEU 63 CO -0.06 0.70 -0.55 0.15 -0.00 0.00 0.00 178.44 178.67 3is7 h PHE 64 N 0.41 0.65 0.00 1.13 3.57 -0.76 -1.82 116.94 120.13 3is7 h PHE 64 Ca 0.06 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3is7 h PHE 64 Cb 0.63 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.25 3is7 h PHE 64 CO 0.02 0.96 0.00 1.28 -2.23 0.00 0.00 178.31 178.33 3is7 n LEU 65 N -3.95 0.05 -2.02 0.59 4.77 -0.50 -4.85 117.00 111.09 3is7 n LEU 65 Ca -0.03 -0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 55.75 3is7 n LEU 65 Cb 0.60 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3is7 n LEU 65 CO 0.47 0.01 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.74 3is7 n GLU 66 N -0.47 -1.76 -1.93 3.23 1.02 -0.68 -3.79 120.64 116.25 3is7 n GLU 66 Ca 0.00 0.81 -0.13 0.00 -0.02 0.00 0.00 57.16 57.82 3is7 n GLU 66 Cb 0.01 -5.26 0.06 0.00 -0.02 0.00 0.00 31.44 26.23 3is7 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3is7 n GLY 67 N -1.07 1.12 3.03 0.62 0.00 -0.45 -5.02 105.19 103.42 3is7 n GLY 67 Ca -0.18 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.46 3is7 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3is7 s LEU 68 N 0.00 3.88 0.39 0.99 1.43 -1.26 -4.37 118.68 119.74 3is7 s LEU 68 Ca 0.39 -1.69 -0.26 0.00 -1.03 0.00 0.00 54.13 51.54 3is7 s LEU 68 Cb -0.02 -1.54 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 3is7 s LEU 68 CO 0.26 -0.27 1.29 -2.84 0.23 0.00 0.00 176.35 175.01 3is7 s PRO 69 N 1.05 4.05 -0.48 1.29 0.02 -1.26 -4.95 135.00 134.72 3is7 s PRO 69 Ca -0.00 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 63.05 3is7 s PRO 69 Cb -0.19 -2.81 0.11 0.00 0.02 0.00 0.00 34.50 31.63 3is7 s PRO 69 CO -0.07 -0.42 0.36 1.21 -0.33 0.00 0.00 177.00 177.75 3is7 s ASN 70 N -0.72 5.80 0.00 2.53 3.84 -1.26 -4.83 114.94 120.29 3is7 s ASN 70 Ca 0.55 -1.80 0.18 0.00 0.21 0.00 0.00 52.86 52.00 3is7 s ASN 70 Cb -0.38 -2.05 0.26 0.00 -0.55 0.00 0.00 41.25 38.53 3is7 s ASN 70 CO 0.49 -0.70 1.19 0.18 -2.79 0.00 0.00 177.10 175.47 3is7 n LEU 71 N 4.98 2.86 0.08 3.21 4.32 -1.26 -4.53 117.00 126.66 3is7 n LEU 71 Ca -0.09 -1.32 -0.11 0.00 -0.02 0.00 0.00 56.01 54.46 3is7 n LEU 71 Cb 0.41 -0.12 -0.13 0.00 -1.62 0.00 0.00 43.42 41.96 3is7 n LEU 71 CO 0.45 0.58 0.02 -0.61 -1.22 0.00 0.00 177.39 176.61 3is7 h GLN 72 N 3.53 0.13 -5.19 3.23 5.75 -2.02 -3.44 115.11 117.11 3is7 h GLN 72 Ca 0.00 -0.23 -0.64 0.00 -0.15 0.00 0.00 58.65 57.63 3is7 h GLN 72 Cb 0.81 0.09 -0.15 0.00 1.07 0.00 0.00 27.48 29.29 3is7 h GLN 72 CO 0.00 1.10 -0.11 -0.51 -2.65 0.00 0.00 178.83 176.66 3is7 s ASP 73 N -6.91 6.29 -0.33 -0.69 1.01 -1.26 -5.02 116.67 109.76 3is7 s ASP 73 Ca -0.02 0.01 -0.01 0.00 0.71 0.00 0.00 52.55 53.24 3is7 s ASP 73 Cb 0.08 -2.25 0.07 0.00 1.01 0.00 0.00 42.92 41.84 3is7 s ASP 73 CO 0.85 -0.41 0.06 -0.22 0.21 0.00 0.00 175.17 175.66 3is7 s LEU 74 N 2.28 4.36 0.00 1.23 2.96 -1.26 -4.85 118.68 123.40 3is7 s LEU 74 Ca 0.17 -1.59 -0.16 0.00 -0.22 0.00 0.00 54.13 52.34 3is7 s LEU 74 Cb -0.16 -1.73 0.24 0.00 0.50 0.00 0.00 46.19 45.05 3is7 s LEU 74 CO 0.12 -0.35 0.55 0.61 -1.32 0.00 0.00 176.35 175.96 3is7 n GLY 75 N 4.57 -3.86 3.67 7.98 0.00 -1.26 -4.95 105.19 111.34 3is7 n GLY 75 Ca -0.08 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 3is7 n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3is7 s LYS 76 N -4.31 4.28 0.05 1.61 2.47 -1.26 -4.94 119.74 117.65 3is7 s LYS 76 Ca 0.43 1.74 -0.30 0.00 -1.56 0.00 0.00 55.97 56.27 3is7 s LYS 76 Cb -0.08 -3.68 -0.05 0.00 -1.46 0.00 0.00 37.83 32.57 3is7 s LYS 76 CO 0.36 -0.60 1.15 -0.51 0.16 0.00 0.00 175.35 175.91 3is7 s LEU 77 N 2.91 4.38 -0.59 5.43 1.02 -1.26 -5.01 118.68 125.55 3is7 s LEU 77 Ca 0.57 1.95 -0.19 0.00 0.02 0.00 0.00 54.13 56.49 3is7 s LEU 77 Cb -0.25 -3.58 0.10 0.00 0.02 0.00 0.00 46.19 42.49 3is7 s LEU 77 CO 0.20 -0.42 0.70 -0.76 0.02 0.00 0.00 176.35 176.10 3is7 s LEU 78 N 0.98 5.40 -0.24 1.79 1.43 -1.26 -5.03 118.68 121.75 3is7 s LEU 78 Ca 0.57 -1.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.16 3is7 s LEU 78 Cb -0.28 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 3is7 s LEU 78 CO 0.29 -1.11 0.03 -0.63 0.23 0.00 0.00 176.35 175.16 3is7 s ILE 79 N 2.67 3.98 0.75 -0.59 -1.09 -1.26 -4.70 121.20 120.96 3is7 s ILE 79 Ca 0.11 -0.29 -0.09 0.00 -2.23 0.00 0.00 60.65 58.16 3is7 s ILE 79 Cb -0.24 -2.84 0.08 0.00 -1.58 0.00 0.00 42.46 37.87 3is7 s ILE 79 CO 0.06 0.37 1.08 -0.83 -1.23 0.00 0.00 174.94 174.39 3is7 s GLY 80 N 1.56 1.66 0.00 6.18 0.00 -1.26 -4.98 107.32 110.48 3is7 s GLY 80 Ca 0.06 -0.88 0.08 0.00 0.00 0.00 0.00 44.72 43.98 3is7 s GLY 80 CO 0.01 -0.42 0.49 -1.84 0.00 0.00 0.00 173.10 171.34 3is7 n GLU 81 N -3.09 2.84 -4.16 2.90 0.28 -1.26 -4.79 120.64 113.36 3is7 n GLU 81 Ca 0.09 -0.39 -0.15 0.00 -0.16 0.00 0.00 57.16 56.55 3is7 n GLU 81 Cb 0.61 -0.97 -0.07 0.00 1.43 0.00 0.00 31.44 32.44 3is7 n GLU 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3is7 s ASN 82 N -1.32 0.91 0.11 -1.84 2.20 -1.26 -5.05 114.94 108.69 3is7 s ASN 82 Ca 0.06 -1.50 -0.22 0.00 -0.94 0.00 0.00 52.86 50.26 3is7 s ASN 82 Cb 0.06 0.57 -0.07 0.00 -2.00 0.00 0.00 41.25 39.81 3is7 s ASN 82 CO 0.23 -1.13 1.71 0.74 -2.94 0.00 0.00 177.10 175.71 3is7 h THR 83 N 2.23 0.84 -0.75 0.54 2.02 -1.99 -0.62 112.91 115.17 3is7 h THR 83 Ca -0.28 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3is7 h THR 83 Cb 1.24 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 3is7 h THR 83 CO 0.40 0.00 0.47 1.56 0.37 0.00 0.00 175.52 178.32 3is7 h GLN 84 N -0.04 0.89 0.00 6.66 7.50 -1.99 -0.99 115.11 127.13 3is7 h GLN 84 Ca 0.06 -0.05 -0.17 0.00 0.50 0.00 0.00 58.65 58.98 3is7 h GLN 84 Cb 0.13 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.44 3is7 h GLN 84 CO -0.13 0.59 -0.81 0.93 -1.50 0.00 0.00 178.83 177.90 3is7 h GLU 85 N 0.92 0.04 -0.12 1.46 5.08 -1.82 -2.04 114.58 118.09 3is7 h GLU 85 Ca 0.30 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3is7 h GLU 85 Cb 0.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3is7 h GLU 85 CO -0.12 0.83 0.06 0.52 -1.00 0.00 0.00 179.01 179.31 3is7 h MET 86 N 0.02 0.18 -0.43 2.33 2.86 -0.66 0.35 114.93 119.58 3is7 h MET 86 Ca -0.01 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3is7 h MET 86 Cb 1.43 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.04 3is7 h MET 86 CO 0.11 0.22 0.16 -0.07 1.06 0.00 0.00 176.91 178.39 3is7 h LEU 87 N 0.09 0.61 -0.97 1.22 3.38 -1.18 -0.88 115.31 117.58 3is7 h LEU 87 Ca 0.04 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3is7 h LEU 87 Cb 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3is7 h LEU 87 CO -0.01 0.62 0.01 -0.61 0.09 0.00 0.00 178.44 178.55 3is7 h GLN 88 N 0.55 0.76 -0.65 1.13 5.75 -1.26 -1.41 115.11 119.99 3is7 h GLN 88 Ca 0.14 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3is7 h GLN 88 Cb 0.22 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 3is7 h GLN 88 CO -0.01 0.76 0.42 0.00 -2.65 0.00 0.00 178.83 177.36 3is7 h ASP 90 N 0.88 0.92 0.01 0.00 5.19 -1.00 -1.29 116.42 121.13 3is7 h ASP 90 Ca 0.24 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3is7 h ASP 90 Cb -0.09 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.19 3is7 h ASP 90 CO -0.05 0.74 -0.00 0.25 -3.12 0.00 0.00 179.24 177.05 3is7 h LEU 91 N 1.03 -0.01 -0.88 1.55 5.85 -0.69 -0.80 115.31 121.35 3is7 h LEU 91 Ca 0.26 -0.27 0.15 0.00 0.84 0.00 0.00 57.88 58.87 3is7 h LEU 91 Cb 0.01 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.95 3is7 h LEU 91 CO -0.05 0.27 0.47 0.78 -0.34 0.00 0.00 178.44 179.57 3is7 h ASN 92 N -0.28 0.58 -0.26 1.25 2.35 -0.94 -0.58 115.58 117.70 3is7 h ASN 92 Ca -0.00 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3is7 h ASN 92 Cb 0.28 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3is7 h ASN 92 CO 0.00 0.23 0.10 0.25 -1.65 0.00 0.00 177.43 176.36 3is7 h LEU 93 N 0.65 0.36 -1.21 1.61 5.85 -0.87 -2.93 115.31 118.78 3is7 h LEU 93 Ca 0.49 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 3is7 h LEU 93 Cb 0.70 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3is7 h LEU 93 CO -0.37 0.44 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.80 3is7 h GLU 94 N 0.26 0.49 -0.58 1.25 4.39 -0.28 -0.07 114.58 120.05 3is7 h GLU 94 Ca 0.09 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 3is7 h GLU 94 Cb 0.20 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3is7 h GLU 94 CO -0.01 0.55 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.30 3is7 h LEU 95 N 0.46 1.02 -0.63 1.33 3.38 -1.05 -0.19 115.31 119.64 3is7 h LEU 95 Ca 0.10 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3is7 h LEU 95 Cb 0.37 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3is7 h LEU 95 CO 0.02 1.09 0.22 0.50 0.09 0.00 0.00 178.44 180.35 3is7 h LYS 96 N 0.92 0.96 -0.21 1.13 1.63 -1.31 -2.36 116.57 117.33 3is7 h LYS 96 Ca 0.16 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.71 3is7 h LYS 96 Cb 0.58 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 3is7 h LYS 96 CO 0.03 0.83 -0.10 0.00 -3.45 0.00 0.00 179.45 176.77 3is7 h ALA 97 N 1.08 1.45 0.05 5.00 0.00 -0.54 -1.55 119.26 124.75 3is7 h ALA 97 Ca 0.20 -0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 3is7 h ALA 97 Cb 0.26 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3is7 h ALA 97 CO -0.01 0.39 -1.06 1.15 0.00 0.00 0.00 179.25 179.71 3is7 h THR 98 N 0.31 1.39 -0.38 0.00 2.02 -0.99 -1.94 112.91 113.33 3is7 h THR 98 Ca 0.06 -2.56 -0.01 0.00 0.77 0.00 0.00 66.41 64.67 3is7 h THR 98 Cb 0.37 2.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 3is7 h THR 98 CO 0.02 0.76 0.19 0.50 0.37 0.00 0.00 175.52 177.37 3is7 h LYS 99 N 0.22 0.53 -0.38 6.66 3.64 -1.17 -1.65 116.57 124.42 3is7 h LYS 99 Ca -0.11 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 3is7 h LYS 99 Cb 1.72 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.42 3is7 h LYS 99 CO 0.19 0.46 0.13 -0.44 -2.27 0.00 0.00 179.45 177.51 3is7 h ASP 100 N 0.48 0.50 -0.20 4.20 3.32 -1.17 -2.44 116.42 121.11 3is7 h ASP 100 Ca 0.13 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3is7 h ASP 100 Cb 0.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3is7 h ASP 100 CO -0.02 0.47 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.84 3is7 h LEU 101 N 0.54 0.39 -0.64 1.55 -0.00 -1.12 -0.15 115.31 115.89 3is7 h LEU 101 Ca 0.13 -0.38 0.08 0.00 -0.00 0.00 0.00 57.88 57.71 3is7 h LEU 101 Cb 0.15 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 40.63 3is7 h LEU 101 CO -0.01 0.69 0.30 0.03 -0.00 0.00 0.00 178.44 179.44 3is7 h ARG 102 N 0.10 0.51 -0.45 1.13 3.08 -1.20 -0.80 114.38 116.74 3is7 h ARG 102 Ca 0.05 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 3is7 h ARG 102 Cb 0.52 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3is7 h ARG 102 CO 0.02 0.34 -0.19 0.93 -1.07 0.00 0.00 179.97 180.00 3is7 h GLU 103 N 0.52 0.88 -0.21 0.04 5.08 -1.17 -2.08 114.58 117.64 3is7 h GLU 103 Ca 0.31 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3is7 h GLU 103 Cb 0.33 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3is7 h GLU 103 CO -0.26 0.99 -0.20 0.00 -1.00 0.00 0.00 179.01 178.54 3is7 h ALA 104 N 1.01 1.27 0.03 3.43 0.00 -0.56 -2.73 119.26 121.72 3is7 h ALA 104 Ca 0.11 -0.29 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 3is7 h ALA 104 Cb 0.72 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.42 3is7 h ALA 104 CO 0.06 0.48 -1.06 0.82 0.00 0.00 0.00 179.25 179.55 3is7 h ILE 105 N 0.34 1.32 -0.87 0.00 2.04 -0.73 -2.61 117.51 117.00 3is7 h ILE 105 Ca 0.06 -2.36 0.08 0.00 1.00 0.00 0.00 64.86 63.63 3is7 h ILE 105 Cb 0.54 2.46 -0.07 0.00 -0.74 0.00 0.00 36.82 39.02 3is7 h ILE 105 CO 0.04 0.72 0.53 0.58 0.00 0.00 0.00 178.15 180.02 3is7 h VAL 106 N 0.32 0.99 -0.30 1.67 2.07 -1.21 -1.57 116.25 118.22 3is7 h VAL 106 Ca -0.13 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 3is7 h VAL 106 Cb 1.71 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3is7 h VAL 106 CO 0.20 0.17 -0.34 -0.74 0.02 0.00 0.00 177.57 176.88 3is7 h HIS 107 N 0.93 0.79 -0.59 1.57 -0.00 -1.38 -1.89 115.15 114.58 3is7 h HIS 107 Ca 0.40 -0.21 -0.08 0.00 -0.00 0.00 0.00 60.37 60.47 3is7 h HIS 107 Cb 0.26 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 3is7 h HIS 107 CO -0.04 0.92 0.04 0.00 -0.00 0.00 0.00 177.93 178.86 3is7 h GLU 109 N 0.90 0.79 -0.00 0.00 4.57 -1.11 -0.04 114.58 119.69 3is7 h GLU 109 Ca 0.17 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.19 3is7 h GLU 109 Cb 0.49 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3is7 h GLU 109 CO 0.02 0.52 -0.53 0.37 -1.18 0.00 0.00 179.01 178.21 3is7 h GLN 110 N 0.81 0.01 -0.63 1.92 4.15 -0.99 -2.01 115.11 118.37 3is7 h GLN 110 Ca 0.24 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.66 3is7 h GLN 110 Cb -0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3is7 h GLN 110 CO -0.08 0.54 0.00 1.33 -1.93 0.00 0.00 178.83 178.69 3is7 n VAL 111 N -3.91 1.54 -1.46 2.39 0.24 -0.85 -4.96 118.33 111.33 3is7 n VAL 111 Ca -0.01 -1.15 -0.12 0.00 -2.04 0.00 0.00 64.34 61.01 3is7 n VAL 111 Cb 0.54 0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 33.12 3is7 n VAL 111 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3is7 n HIS 112 N 1.16 -0.07 -2.23 6.34 8.25 -0.20 -4.91 115.22 123.55 3is7 n HIS 112 Ca 0.24 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.28 3is7 n HIS 112 Cb 0.78 -2.26 0.00 0.00 1.12 0.00 0.00 29.99 29.63 3is7 n HIS 112 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3is7 n ASP 113 N 0.04 4.73 0.22 0.41 -0.08 -0.20 -4.78 116.55 116.89 3is7 n ASP 113 Ca -0.12 -3.01 0.08 0.00 -1.51 0.00 0.00 54.79 50.23 3is7 n ASP 113 Cb 0.42 -1.56 0.48 0.00 2.34 0.00 0.00 41.12 42.80 3is7 n ASP 113 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3is7 h TYR 114 N 6.07 0.00 -0.22 -0.67 0.05 -1.91 -2.12 116.97 118.17 3is7 h TYR 114 Ca 0.44 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 59.06 3is7 h TYR 114 Cb 0.67 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.41 3is7 h TYR 114 CO 1.31 0.27 -0.48 0.28 -1.05 0.00 0.00 178.16 178.48 3is7 h VAL 115 N 0.00 1.31 -0.41 -2.88 2.07 -1.97 -1.42 116.25 112.95 3is7 h VAL 115 Ca -0.00 -1.70 -0.09 0.00 0.82 0.00 0.00 66.70 65.73 3is7 h VAL 115 Cb 0.65 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3is7 h VAL 115 CO 0.04 0.54 -0.11 0.28 0.02 0.00 0.00 177.57 178.33 3is7 h SER 116 N 0.43 0.71 -0.45 0.57 0.02 -1.91 -1.68 113.55 111.24 3is7 h SER 116 Ca 0.00 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3is7 h SER 116 Cb 1.09 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 3is7 h SER 116 CO 0.11 0.85 0.26 -0.09 -1.14 0.00 0.00 176.83 176.81 3is7 h ARG 117 N 0.66 0.62 -0.59 3.45 2.43 -1.27 -0.93 114.38 118.74 3is7 h ARG 117 Ca 0.11 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3is7 h ARG 117 Cb 0.57 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 3is7 h ARG 117 CO 0.04 0.47 0.35 0.22 -1.51 0.00 0.00 179.97 179.54 3is7 h ASP 118 N 0.59 0.55 -0.38 -3.80 3.58 -0.46 -1.20 116.42 115.30 3is7 h ASP 118 Ca 0.16 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.65 3is7 h ASP 118 Cb 0.03 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 3is7 h ASP 118 CO -0.03 0.38 0.17 0.25 -2.88 0.00 0.00 179.24 177.14 3is7 h LEU 119 N 0.68 0.24 -0.83 2.28 6.46 -1.15 -1.83 115.31 121.15 3is7 h LEU 119 Ca 0.24 0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.94 3is7 h LEU 119 Cb 0.06 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 3is7 h LEU 119 CO -0.12 0.18 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.74 3is7 h LEU 120 N 0.36 0.78 -0.54 2.25 3.38 -0.88 -1.73 115.31 118.93 3is7 h LEU 120 Ca 0.17 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3is7 h LEU 120 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3is7 h LEU 120 CO -0.13 0.89 0.21 0.50 0.09 0.00 0.00 178.44 179.99 3is7 h LYS 121 N 0.73 0.81 -0.45 1.13 3.11 -1.04 0.82 116.57 121.68 3is7 h LYS 121 Ca 0.13 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 3is7 h LYS 121 Cb 0.54 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 3is7 h LYS 121 CO 0.03 0.71 0.29 -0.44 -2.81 0.00 0.00 179.45 177.23 3is7 h ASP 122 N 0.73 0.52 -0.75 4.20 3.32 -1.06 -1.37 116.42 122.02 3is7 h ASP 122 Ca 0.18 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3is7 h ASP 122 Cb 0.21 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3is7 h ASP 122 CO -0.01 0.39 0.45 0.40 -1.72 0.00 0.00 179.24 178.75 3is7 h ILE 123 N 0.61 1.21 -0.76 0.35 2.04 -0.96 -2.87 117.51 117.13 3is7 h ILE 123 Ca 0.16 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 3is7 h ILE 123 Cb -0.05 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 3is7 h ILE 123 CO -0.03 0.22 0.24 0.25 0.00 0.00 0.00 178.15 178.83 3is7 h LEU 124 N 1.02 1.10 -0.57 1.44 5.85 -0.49 -0.55 115.31 123.12 3is7 h LEU 124 Ca 0.27 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3is7 h LEU 124 Cb -0.03 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.66 3is7 h LEU 124 CO -0.05 1.01 0.31 -0.08 -0.34 0.00 0.00 178.44 179.29 3is7 h GLU 125 N 1.13 0.57 -0.36 1.25 4.81 -1.18 0.18 114.58 120.99 3is7 h GLU 125 Ca 0.24 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 3is7 h GLU 125 Cb 0.30 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3is7 h GLU 125 CO -0.01 0.38 -0.16 1.03 -0.73 0.00 0.00 179.01 179.52 3is7 h SER 126 N 0.59 0.65 -0.14 1.04 0.87 -1.21 -0.20 113.55 115.14 3is7 h SER 126 Ca 0.25 -0.20 -0.17 0.00 -1.23 0.00 0.00 61.79 60.43 3is7 h SER 126 Cb 0.13 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3is7 h SER 126 CO -0.15 0.82 -0.54 -0.33 -0.53 0.00 0.00 176.83 176.10 3is7 h GLU 127 N 0.59 0.73 -0.38 2.24 4.39 -0.48 -1.16 114.58 120.50 3is7 h GLU 127 Ca 0.10 -0.45 -0.10 0.00 0.34 0.00 0.00 59.36 59.24 3is7 h GLU 127 Cb 0.61 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 3is7 h GLU 127 CO 0.04 1.08 -0.19 0.93 -1.16 0.00 0.00 179.01 179.71 3is7 h GLU 128 N 0.56 0.72 -0.98 2.33 5.08 -0.16 0.54 114.58 122.68 3is7 h GLU 128 Ca 0.01 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3is7 h GLU 128 Cb 1.11 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 3is7 h GLU 128 CO 0.11 0.86 0.65 0.93 -1.00 0.00 0.00 179.01 180.56 3is7 h GLU 129 N 0.64 1.29 -0.67 2.33 5.08 -0.89 -0.89 114.58 121.46 3is7 h GLU 129 Ca 0.10 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3is7 h GLU 129 Cb 0.67 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3is7 h GLU 129 CO 0.05 0.85 0.24 1.25 -1.00 0.00 0.00 179.01 180.40 3is7 h HIS 130 N 1.33 1.05 -1.00 4.33 2.76 -0.06 -1.57 115.15 121.98 3is7 h HIS 130 Ca 0.36 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.46 3is7 h HIS 130 Cb -0.15 -0.31 -0.05 0.00 1.55 0.00 0.00 27.41 28.44 3is7 h HIS 130 CO -0.00 0.83 0.66 0.82 -1.30 0.00 0.00 177.93 178.94 3is7 h ILE 131 N 0.97 1.21 -0.15 6.26 2.04 -0.62 -1.65 117.51 125.58 3is7 h ILE 131 Ca 0.22 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3is7 h ILE 131 Cb 0.25 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 3is7 h ILE 131 CO -0.01 0.24 0.08 -0.78 0.00 0.00 0.00 178.15 177.68 3is7 h ASP 132 N 1.31 0.19 -0.66 1.72 3.58 -0.75 -1.58 116.42 120.24 3is7 h ASP 132 Ca 0.38 -0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.78 3is7 h ASP 132 Cb -0.07 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 40.88 3is7 h ASP 132 CO -0.10 0.23 0.39 0.22 -2.88 0.00 0.00 179.24 177.10 3is7 h TYR 133 N 0.14 0.72 -0.43 0.28 3.20 -1.02 -1.11 116.97 118.75 3is7 h TYR 133 Ca 0.05 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.81 3is7 h TYR 133 Cb 0.09 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3is7 h TYR 133 CO -0.04 0.38 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.52 3is7 h LEU 134 N 0.74 0.95 -0.60 2.82 -0.00 -0.86 -0.11 115.31 118.26 3is7 h LEU 134 Ca 0.28 -0.38 -0.11 0.00 -0.00 0.00 0.00 57.88 57.67 3is7 h LEU 134 Cb 0.10 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 3is7 h LEU 134 CO -0.14 1.16 -0.06 -0.33 -0.00 0.00 0.00 178.44 179.07 3is7 h GLU 135 N 0.78 1.05 -0.25 1.13 5.08 -1.20 -1.15 114.58 120.03 3is7 h GLU 135 Ca 0.09 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3is7 h GLU 135 Cb 0.84 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3is7 h GLU 135 CO 0.07 1.06 0.16 1.15 -1.00 0.00 0.00 179.01 180.45 3is7 h THR 136 N 0.94 1.08 -0.76 1.13 2.02 -0.74 -1.26 112.91 115.31 3is7 h THR 136 Ca 0.16 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3is7 h THR 136 Cb 0.62 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3is7 h THR 136 CO 0.04 0.07 0.28 1.56 0.37 0.00 0.00 175.52 177.85 3is7 h GLN 137 N 0.32 1.15 -0.57 6.66 1.08 -0.46 0.14 115.11 123.44 3is7 h GLN 137 Ca 0.09 -0.22 -0.05 0.00 -1.45 0.00 0.00 58.65 57.01 3is7 h GLN 137 Cb -0.02 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 3is7 h GLN 137 CO -0.02 0.95 0.15 -0.07 -0.95 0.00 0.00 178.83 178.89 3is7 h LEU 138 N 1.11 0.86 -1.15 1.46 -0.00 -1.03 -1.41 115.31 115.15 3is7 h LEU 138 Ca 0.25 -0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 3is7 h LEU 138 Cb 0.25 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.64 3is7 h LEU 138 CO -0.02 0.86 0.43 1.23 -0.00 0.00 0.00 178.44 180.95 3is7 h GLY 139 N 0.82 1.09 1.57 0.83 0.00 -0.64 -2.81 103.07 103.92 3is7 h GLY 139 Ca 0.18 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3is7 h GLY 139 CO 0.00 0.44 -0.06 1.41 0.00 0.00 0.00 176.54 178.33 3is7 h LEU 140 N 1.03 0.51 -0.78 3.11 3.38 0.27 -2.08 115.31 120.75 3is7 h LEU 140 Ca 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3is7 h LEU 140 Cb -0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3is7 h LEU 140 CO -0.05 0.62 0.39 0.40 0.09 0.00 0.00 178.44 179.90 3is7 h ILE 141 N 0.50 1.24 -0.73 1.22 2.04 -1.04 0.95 117.51 121.69 3is7 h ILE 141 Ca 0.10 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 3is7 h ILE 141 Cb 0.42 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3is7 h ILE 141 CO 0.02 0.29 0.24 1.56 0.00 0.00 0.00 178.15 180.25 3is7 h GLN 142 N 1.10 1.13 0.09 2.37 1.08 -1.34 -1.86 115.11 117.67 3is7 h GLN 142 Ca 0.27 -0.23 -0.30 0.00 -1.45 0.00 0.00 58.65 56.94 3is7 h GLN 142 Cb 0.09 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 3is7 h GLN 142 CO -0.04 0.95 -1.58 0.87 -0.95 0.00 0.00 178.83 178.09 3is7 h LYS 143 N 1.08 0.19 -0.00 1.46 1.57 -0.59 -3.36 116.57 116.92 3is7 h LYS 143 Ca 0.24 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3is7 h LYS 143 Cb 0.29 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3is7 h LYS 143 CO -0.01 1.00 -0.81 1.33 -0.57 0.00 0.00 179.45 180.39 3is7 n VAL 144 N -3.37 0.00 0.00 0.50 0.24 0.23 -5.10 118.33 110.83 3is7 n VAL 144 Ca -0.17 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3is7 n VAL 144 Cb 1.04 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 34.41 3is7 n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3is7 n GLY 145 N 1.41 0.02 0.26 7.63 0.00 -0.70 -4.30 105.19 109.50 3is7 n GLY 145 Ca 0.03 -1.59 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 3is7 n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3is7 h LEU 146 N 0.00 0.76 -0.38 0.99 5.85 -1.91 -0.13 115.31 120.50 3is7 h LEU 146 Ca 0.00 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 3is7 h LEU 146 Cb 0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3is7 h LEU 146 CO 0.00 0.64 0.01 -0.33 -0.34 0.00 0.00 178.44 178.42 3is7 h GLU 147 N 0.82 0.66 -0.58 1.25 5.08 -1.93 -0.27 114.58 119.60 3is7 h GLU 147 Ca 0.21 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3is7 h GLU 147 Cb 0.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3is7 h GLU 147 CO -0.03 0.75 0.20 -0.91 -1.00 0.00 0.00 179.01 178.02 3is7 h ASN 148 N 0.48 0.83 -0.24 1.42 2.35 -1.72 -0.97 115.58 117.73 3is7 h ASN 148 Ca 0.11 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3is7 h ASN 148 Cb 0.44 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3is7 h ASN 148 CO 0.02 0.80 0.15 0.22 -1.65 0.00 0.00 177.43 176.96 3is7 h TYR 149 N 0.81 0.28 -0.42 1.19 3.20 -0.76 -1.09 116.97 120.18 3is7 h TYR 149 Ca 0.19 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 3is7 h TYR 149 Cb 0.25 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3is7 h TYR 149 CO 0.01 0.17 0.11 -0.07 -1.64 0.00 0.00 178.16 176.75 3is7 h LEU 150 N 0.31 0.63 -1.08 2.82 3.38 -0.97 -2.84 115.31 117.56 3is7 h LEU 150 Ca 0.09 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.94 3is7 h LEU 150 Cb -0.02 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 3is7 h LEU 150 CO -0.04 0.69 0.62 -0.61 0.09 0.00 0.00 178.44 179.19 3is7 h GLN 151 N 0.54 0.98 0.00 1.13 4.15 -0.77 0.32 115.11 121.47 3is7 h GLN 151 Ca 0.13 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3is7 h GLN 151 Cb 0.30 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3is7 h GLN 151 CO -0.00 0.65 0.00 0.43 -1.93 0.00 0.00 178.83 177.98 3is7 n SER 152 N -4.55 0.00 -0.19 -0.69 7.64 -0.45 -2.65 113.62 112.73 3is7 n SER 152 Ca 0.17 0.16 0.03 0.00 1.01 0.00 0.00 58.87 60.23 3is7 n SER 152 Cb 0.29 -0.33 0.07 0.00 -1.01 0.00 0.00 64.21 63.23 3is7 n SER 152 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3is7 n HIS 153 N -1.33 0.15 -0.01 1.43 8.25 0.08 -4.66 115.22 119.12 3is7 n HIS 153 Ca 0.06 -0.60 -0.13 0.00 -0.26 0.00 0.00 57.72 56.80 3is7 n HIS 153 Cb 0.13 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 3is7 n HIS 153 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3is7 h MET 154 N 0.52 -0.04 -5.58 -0.41 2.86 -1.26 -2.00 114.93 109.02 3is7 h MET 154 Ca 0.00 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 3is7 h MET 154 Cb 0.68 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.27 3is7 h MET 154 CO 0.01 0.56 -0.46 -1.01 1.06 0.00 0.00 176.91 177.06 3is7 s HIS 155 N -3.61 3.56 -2.00 -0.22 3.76 -1.26 -2.04 115.29 113.49 3is7 s HIS 155 Ca -0.16 0.51 0.19 0.00 -0.15 0.00 0.00 55.06 55.46 3is7 s HIS 155 Cb 0.00 -2.01 1.15 0.00 1.11 0.00 0.00 32.58 32.83 3is7 s HIS 155 CO 0.64 0.63 1.54 0.39 -0.85 0.00 0.00 174.74 177.09