#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 6.60 0.28 1.61 2.15 -1.26 -4.93 116.67 121.12 3is7 s ASP 4 Ca 0.00 2.60 -0.01 0.00 0.43 0.00 0.00 52.55 55.56 3is7 s ASP 4 Cb 0.00 -2.59 0.44 0.00 -0.30 0.00 0.00 42.92 40.47 3is7 s ASP 4 CO 0.00 -0.82 1.89 0.50 -0.17 0.00 0.00 175.17 176.57 3is7 h LYS 5 N 6.88 1.10 -0.01 4.34 3.11 -2.00 -1.78 116.57 128.22 3is7 h LYS 5 Ca -0.43 -0.07 -0.16 0.00 -2.81 0.00 0.00 60.65 57.19 3is7 h LYS 5 Cb 1.20 -0.25 -0.02 0.00 -1.00 0.00 0.00 32.23 32.17 3is7 h LYS 5 CO 0.91 0.73 -0.73 0.87 -2.81 0.00 0.00 179.45 178.43 3is7 h LYS 6 N 1.14 0.08 0.08 1.90 1.57 -1.99 -1.18 116.57 118.17 3is7 h LYS 6 Ca 0.42 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3is7 h LYS 6 Cb 0.17 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3is7 h LYS 6 CO -0.16 0.77 -0.04 0.28 -0.57 0.00 0.00 179.45 179.73 3is7 h VAL 7 N 0.05 0.95 -0.60 0.50 2.07 -1.78 0.11 116.25 117.55 3is7 h VAL 7 Ca -0.01 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3is7 h VAL 7 Cb 1.29 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 3is7 h VAL 7 CO 0.10 0.02 0.25 0.40 0.02 0.00 0.00 177.57 178.37 3is7 h ILE 8 N -0.15 0.83 -0.33 4.57 2.04 -1.20 0.16 117.51 123.42 3is7 h ILE 8 Ca -0.01 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.72 3is7 h ILE 8 Cb 0.12 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3is7 h ILE 8 CO 0.02 0.08 0.14 1.56 0.00 0.00 0.00 178.15 179.95 3is7 h GLN 9 N 0.46 0.29 -0.69 2.37 4.20 -0.77 -0.20 115.11 120.78 3is7 h GLN 9 Ca 0.29 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3is7 h GLN 9 Cb 0.32 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3is7 h GLN 9 CO -0.26 0.19 0.38 0.45 -0.67 0.00 0.00 178.83 178.92 3is7 h HIS 10 N 0.30 0.94 -0.64 2.96 3.86 -0.15 -1.56 115.15 120.87 3is7 h HIS 10 Ca 0.15 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 3is7 h HIS 10 Cb 0.09 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 3is7 h HIS 10 CO -0.12 0.66 0.26 -0.07 0.86 0.00 0.00 177.93 179.53 3is7 h LEU 11 N 0.94 0.84 -1.20 2.43 3.38 -0.13 -0.00 115.31 121.57 3is7 h LEU 11 Ca 0.24 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3is7 h LEU 11 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3is7 h LEU 11 CO -0.04 0.75 -0.36 0.78 0.09 0.00 0.00 178.44 179.66 3is7 h ASN 12 N 0.91 0.00 0.06 -0.43 2.35 -0.76 -0.02 115.58 117.68 3is7 h ASN 12 Ca 0.22 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.72 3is7 h ASN 12 Cb 0.16 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.55 3is7 h ASN 12 CO -0.02 0.36 -0.98 0.50 -1.65 0.00 0.00 177.43 175.63 3is7 h LYS 13 N 0.00 0.56 -0.77 0.81 3.64 -0.10 -0.53 116.57 120.18 3is7 h LYS 13 Ca -0.00 -0.68 -0.00 0.00 -1.27 0.00 0.00 60.65 58.69 3is7 h LYS 13 Cb 0.73 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 3is7 h LYS 13 CO 0.05 1.28 0.47 0.82 -2.27 0.00 0.00 179.45 179.80 3is7 h ILE 14 N 0.15 1.21 -0.82 2.00 1.08 -0.89 -1.67 117.51 118.58 3is7 h ILE 14 Ca -0.14 -0.46 -0.02 0.00 -0.39 0.00 0.00 64.86 63.85 3is7 h ILE 14 Cb 1.67 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 3is7 h ILE 14 CO 0.19 0.22 0.44 0.25 -0.69 0.00 0.00 178.15 178.56 3is7 h LEU 15 N 1.05 1.03 -0.82 1.44 5.85 -0.95 0.04 115.31 122.96 3is7 h LEU 15 Ca 0.28 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3is7 h LEU 15 Cb -0.05 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.65 3is7 h LEU 15 CO -0.05 0.84 0.49 1.23 -0.34 0.00 0.00 178.44 180.61 3is7 h GLY 16 N 1.14 1.23 1.28 3.75 0.00 -0.74 0.17 103.07 109.90 3is7 h GLY 16 Ca 0.29 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 3is7 h GLY 16 CO -0.04 0.22 -0.14 3.43 0.00 0.00 0.00 176.54 180.01 3is7 h ASN 17 N 0.89 0.85 -0.64 0.19 2.35 -0.21 -2.55 115.58 116.45 3is7 h ASN 17 Ca 0.36 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3is7 h ASN 17 Cb 0.20 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3is7 h ASN 17 CO -0.19 0.99 0.26 -0.33 -1.65 0.00 0.00 177.43 176.52 3is7 h GLU 18 N 0.75 0.96 -0.71 0.81 4.39 -0.01 -1.92 114.58 118.85 3is7 h GLU 18 Ca 0.12 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3is7 h GLU 18 Cb 0.66 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 3is7 h GLU 18 CO 0.05 0.80 0.27 -0.07 -1.16 0.00 0.00 179.01 178.90 3is7 h LEU 19 N 0.90 0.96 0.22 1.33 3.38 -0.81 -0.12 115.31 121.18 3is7 h LEU 19 Ca 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3is7 h LEU 19 Cb 0.19 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3is7 h LEU 19 CO -0.02 0.86 -0.11 0.40 0.09 0.00 0.00 178.44 179.66 3is7 h ILE 20 N 1.02 0.79 -0.92 1.22 2.04 -1.25 -3.04 117.51 117.37 3is7 h ILE 20 Ca 0.24 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 66.10 3is7 h ILE 20 Cb 0.20 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3is7 h ILE 20 CO -0.02 0.01 0.60 0.00 0.00 0.00 0.00 178.15 178.73 3is7 h ALA 21 N 0.46 1.24 0.11 1.87 0.00 -0.90 0.26 119.26 122.30 3is7 h ALA 21 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3is7 h ALA 21 Cb 0.24 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3is7 h ALA 21 CO 0.05 0.43 -0.30 0.82 0.00 0.00 0.00 179.25 180.25 3is7 h ILE 22 N 1.13 0.35 -0.57 0.00 2.04 -1.01 0.19 117.51 119.65 3is7 h ILE 22 Ca 0.38 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.18 3is7 h ILE 22 Cb 0.05 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3is7 h ILE 22 CO -0.14 0.00 0.14 0.78 0.00 0.00 0.00 178.15 178.94 3is7 h ASN 23 N -0.52 0.85 -0.16 1.72 4.21 -1.38 -0.36 115.58 119.94 3is7 h ASN 23 Ca 0.03 -0.23 -0.05 0.00 1.21 0.00 0.00 56.30 57.26 3is7 h ASN 23 Cb 0.55 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.52 3is7 h ASN 23 CO -0.18 0.86 -0.10 -0.61 -1.29 0.00 0.00 177.43 176.11 3is7 h GLN 24 N 0.81 0.35 -0.76 0.81 4.15 -0.73 -0.09 115.11 119.65 3is7 h GLN 24 Ca 0.18 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 3is7 h GLN 24 Cb 0.34 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 3is7 h GLN 24 CO 0.00 0.69 0.35 1.88 -1.93 0.00 0.00 178.83 179.82 3is7 h TYR 25 N 0.01 1.10 -0.28 3.99 0.05 -0.63 -0.74 116.97 120.47 3is7 h TYR 25 Ca 0.03 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 3is7 h TYR 25 Cb 0.60 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3is7 h TYR 25 CO 0.07 0.80 -0.20 0.35 -1.05 0.00 0.00 178.16 178.14 3is7 h PHE 26 N 1.09 0.75 -0.81 4.88 3.04 -0.79 -0.31 116.94 124.79 3is7 h PHE 26 Ca 0.26 -0.21 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 3is7 h PHE 26 Cb 0.13 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 3is7 h PHE 26 CO 0.01 0.91 0.45 1.25 -2.02 0.00 0.00 178.31 178.91 3is7 h LEU 27 N 0.38 1.01 -0.55 0.59 5.85 -0.88 -1.75 115.31 119.96 3is7 h LEU 27 Ca 0.06 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3is7 h LEU 27 Cb 0.74 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3is7 h LEU 27 CO 0.05 0.81 0.12 0.45 -0.34 0.00 0.00 178.44 179.54 3is7 h HIS 28 N 1.12 0.93 -0.43 1.25 3.86 -0.86 0.02 115.15 121.04 3is7 h HIS 28 Ca 0.29 -0.12 0.09 0.00 -1.16 0.00 0.00 60.37 59.47 3is7 h HIS 28 Cb 0.02 -0.26 -0.09 0.00 1.06 0.00 0.00 27.41 28.14 3is7 h HIS 28 CO 0.00 0.81 -0.18 1.03 0.86 0.00 0.00 177.93 180.45 3is7 h SER 29 N 0.78 -0.63 0.41 2.45 0.87 -0.74 -0.88 113.55 115.82 3is7 h SER 29 Ca 0.17 0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.75 3is7 h SER 29 Cb 0.36 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 3is7 h SER 29 CO 0.00 -0.21 -0.57 0.03 -0.53 0.00 0.00 176.83 175.55 3is7 h ARG 30 N -0.09 0.17 -0.55 2.24 -0.00 -0.75 -1.40 114.38 113.99 3is7 h ARG 30 Ca 0.21 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.98 59.55 3is7 h ARG 30 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.37 3is7 h ARG 30 CO -0.49 0.69 0.20 0.52 0.00 0.00 0.00 179.97 180.89 3is7 h MET 31 N 0.13 0.84 -0.49 0.04 2.86 -0.77 0.07 114.93 117.60 3is7 h MET 31 Ca -0.00 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3is7 h MET 31 Cb 1.04 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 3is7 h MET 31 CO 0.08 0.74 0.20 -1.49 1.06 0.00 0.00 176.91 177.51 3is7 h TRP 32 N 0.76 0.74 -0.79 -0.22 6.55 -0.82 -1.65 115.95 120.51 3is7 h TRP 32 Ca 0.18 -0.05 0.02 0.00 0.95 0.00 0.00 58.89 59.99 3is7 h TRP 32 Cb 0.23 -0.22 -0.04 0.00 -0.86 0.00 0.00 29.16 28.26 3is7 h TRP 32 CO 0.01 0.61 0.51 -0.91 -1.05 0.00 0.00 178.44 177.61 3is7 h ASN 33 N 0.65 0.86 -0.54 -3.49 -0.26 -1.16 0.61 115.58 112.25 3is7 h ASN 33 Ca 0.16 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 3is7 h ASN 33 Cb 0.18 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 3is7 h ASN 33 CO -0.02 0.60 0.31 -0.78 -1.06 0.00 0.00 177.43 176.49 3is7 h ASP 34 N 1.01 0.69 0.20 5.81 3.58 -0.63 -1.60 116.42 125.48 3is7 h ASP 34 Ca 0.31 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3is7 h ASP 34 Cb -0.04 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.84 3is7 h ASP 34 CO -0.09 0.55 -0.01 0.79 -2.88 0.00 0.00 179.24 177.59 3is7 n TRP 35 N -4.40 0.00 -0.88 0.28 8.01 -0.65 -4.91 117.44 114.89 3is7 n TRP 35 Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 3is7 n TRP 35 Cb 0.09 -0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.29 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 1.13 0.55 2.88 6.99 0.00 -0.60 -4.96 105.19 111.18 3is7 n GLY 36 Ca 0.20 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 6.75 0.27 0.99 4.77 0.14 -4.48 117.00 125.44 3is7 n LEU 37 Ca 0.00 -5.15 0.15 0.00 -0.03 0.00 0.00 56.01 50.98 3is7 n LEU 37 Cb 0.00 -1.29 0.77 0.00 -2.33 0.00 0.00 43.42 40.57 3is7 n LEU 37 CO 0.00 1.74 0.99 0.11 -1.33 0.00 0.00 177.39 178.91 3is7 h LYS 38 N 5.19 0.00 0.01 3.23 1.57 -1.00 -0.91 116.57 124.66 3is7 h LYS 38 Ca 0.32 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.83 3is7 h LYS 38 Cb 0.54 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.87 3is7 h LYS 38 CO 1.36 0.09 -1.06 -0.09 -0.57 0.00 0.00 179.45 179.18 3is7 h ARG 39 N 0.00 0.68 -0.50 3.15 2.43 -1.40 -0.89 114.38 117.85 3is7 h ARG 39 Ca -0.00 -0.74 -0.09 0.00 -0.81 0.00 0.00 59.98 58.34 3is7 h ARG 39 Cb 0.36 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3is7 h ARG 39 CO 0.01 1.32 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.69 3is7 h LEU 40 N 0.38 0.89 -0.40 3.80 3.38 -1.56 -2.04 115.31 119.76 3is7 h LEU 40 Ca -0.13 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.55 3is7 h LEU 40 Cb 1.71 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 3is7 h LEU 40 CO 0.21 1.00 0.19 1.23 0.09 0.00 0.00 178.44 181.16 3is7 h GLY 41 N 0.76 0.54 0.90 0.83 0.00 -1.04 -1.39 103.07 103.67 3is7 h GLY 41 Ca 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3is7 h GLY 41 CO 0.03 0.10 -0.03 0.00 0.00 0.00 0.00 176.54 176.63 3is7 h ALA 42 N 1.21 0.43 -0.57 3.60 0.00 -1.08 -1.21 119.26 121.64 3is7 h ALA 42 Ca 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3is7 h ALA 42 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3is7 h ALA 42 CO -0.12 0.22 0.31 1.25 0.00 0.00 0.00 179.25 180.90 3is7 h HIS 43 N 0.36 0.79 -0.18 0.00 6.17 -1.22 -2.40 115.15 118.67 3is7 h HIS 43 Ca 0.08 -0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.06 3is7 h HIS 43 Cb 0.50 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.16 3is7 h HIS 43 CO 0.04 0.58 -0.25 1.49 0.71 0.00 0.00 177.93 180.50 3is7 h GLU 44 N 0.77 0.34 -0.77 5.26 4.57 -1.17 -1.79 114.58 121.79 3is7 h GLU 44 Ca 0.20 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3is7 h GLU 44 Cb 0.05 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3is7 h GLU 44 CO -0.03 0.57 0.49 -0.92 -1.18 0.00 0.00 179.01 177.95 3is7 h TYR 45 N 0.30 0.99 -0.14 0.92 3.20 -1.00 -1.11 116.97 120.13 3is7 h TYR 45 Ca 0.05 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 3is7 h TYR 45 Cb 0.61 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3is7 h TYR 45 CO 0.01 0.64 -0.45 0.45 -1.64 0.00 0.00 178.16 177.18 3is7 h HIS 46 N 1.05 0.39 -0.60 -3.82 3.86 -0.91 -1.42 115.15 113.70 3is7 h HIS 46 Ca 0.28 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 3is7 h HIS 46 Cb -0.09 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3is7 h HIS 46 CO -0.01 0.72 0.13 0.93 0.86 0.00 0.00 177.93 180.56 3is7 h GLU 47 N 0.27 0.98 -0.39 2.45 4.39 -1.05 -0.88 114.58 120.34 3is7 h GLU 47 Ca 0.02 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 59.50 3is7 h GLU 47 Cb 0.90 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 3is7 h GLU 47 CO 0.07 0.90 0.21 1.03 -1.16 0.00 0.00 179.01 180.07 3is7 h SER 48 N 0.89 0.33 -0.44 1.42 0.87 -0.60 -2.46 113.55 113.56 3is7 h SER 48 Ca 0.19 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 3is7 h SER 48 Cb 0.37 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3is7 h SER 48 CO 0.00 0.24 0.11 0.40 -0.53 0.00 0.00 176.83 177.05 3is7 h ILE 49 N 0.43 1.23 -0.89 2.23 1.08 -1.11 -0.71 117.51 119.77 3is7 h ILE 49 Ca 0.16 -0.80 0.09 0.00 -0.39 0.00 0.00 64.86 63.92 3is7 h ILE 49 Cb 0.05 0.92 -0.07 0.00 -3.07 0.00 0.00 36.82 34.65 3is7 h ILE 49 CO -0.10 0.28 0.54 0.44 -0.69 0.00 0.00 178.15 178.62 3is7 h ASP 50 N 0.57 0.81 -0.58 1.72 3.32 -1.10 -1.83 116.42 119.33 3is7 h ASP 50 Ca 0.14 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3is7 h ASP 50 Cb 0.31 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3is7 h ASP 50 CO 0.00 0.48 0.21 -0.33 -1.72 0.00 0.00 179.24 177.88 3is7 h GLU 51 N 0.92 0.92 -0.57 3.56 4.39 -1.00 -2.40 114.58 120.39 3is7 h GLU 51 Ca 0.41 -0.16 0.07 0.00 0.34 0.00 0.00 59.36 60.02 3is7 h GLU 51 Cb 0.31 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 3is7 h GLU 51 CO -0.22 0.78 0.25 0.52 -1.16 0.00 0.00 179.01 179.17 3is7 h MET 52 N 0.89 0.44 -0.82 2.33 2.86 -0.62 -0.32 114.93 119.70 3is7 h MET 52 Ca 0.20 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3is7 h MET 52 Cb 0.23 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 3is7 h MET 52 CO -0.01 0.29 0.45 0.87 1.06 0.00 0.00 176.91 179.57 3is7 h LYS 53 N 0.46 1.14 -0.71 1.72 1.57 -1.04 -1.67 116.57 118.05 3is7 h LYS 53 Ca 0.27 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3is7 h LYS 53 Cb 0.27 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3is7 h LYS 53 CO -0.24 0.84 0.29 0.45 -0.57 0.00 0.00 179.45 180.22 3is7 h HIS 54 N 1.14 1.07 -0.33 -1.35 3.86 -1.14 -2.00 115.15 116.39 3is7 h HIS 54 Ca 0.29 -0.08 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 3is7 h HIS 54 Cb 0.03 -0.32 -0.06 0.00 1.06 0.00 0.00 27.41 28.12 3is7 h HIS 54 CO 0.00 0.82 -0.03 0.00 0.86 0.00 0.00 177.93 179.58 3is7 h ALA 55 N 1.14 0.26 -0.60 2.45 0.00 -0.86 0.23 119.26 121.88 3is7 h ALA 55 Ca 0.24 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3is7 h ALA 55 Cb 0.20 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3is7 h ALA 55 CO -0.02 -0.43 0.39 0.22 0.00 0.00 0.00 179.25 179.41 3is7 h ASP 56 N 0.05 0.69 -0.87 0.00 3.58 -1.14 0.14 116.42 118.87 3is7 h ASP 56 Ca 0.16 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 3is7 h ASP 56 Cb 0.23 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 3is7 h ASP 56 CO -0.30 0.51 0.48 0.11 -2.88 0.00 0.00 179.24 177.16 3is7 h LYS 57 N 0.81 1.21 -0.25 0.28 1.79 -0.82 -1.19 116.57 118.41 3is7 h LYS 57 Ca 0.22 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 3is7 h LYS 57 Cb -0.08 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.32 3is7 h LYS 57 CO -0.05 0.88 0.02 -0.07 -1.08 0.00 0.00 179.45 179.16 3is7 h LEU 58 N 1.21 0.41 -0.67 2.94 3.38 -0.42 -1.96 115.31 120.20 3is7 h LEU 58 Ca 0.30 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3is7 h LEU 58 Cb 0.03 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 3is7 h LEU 58 CO -0.05 0.60 0.29 0.40 0.09 0.00 0.00 178.44 179.77 3is7 h ILE 59 N 0.21 0.78 -0.49 1.22 2.04 -0.48 -1.16 117.51 119.63 3is7 h ILE 59 Ca 0.07 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 3is7 h ILE 59 Cb 0.38 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3is7 h ILE 59 CO 0.01 0.09 -0.01 -0.33 0.00 0.00 0.00 178.15 177.91 3is7 h GLU 60 N 0.49 0.87 -0.34 2.37 5.08 -1.07 -1.41 114.58 120.56 3is7 h GLU 60 Ca 0.34 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3is7 h GLU 60 Cb 0.42 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3is7 h GLU 60 CO -0.31 0.91 0.07 -0.09 -1.00 0.00 0.00 179.01 178.60 3is7 h ARG 61 N 0.73 0.55 -0.63 2.33 9.65 -1.07 -1.27 114.38 124.67 3is7 h ARG 61 Ca 0.14 -0.14 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3is7 h ARG 61 Cb 0.53 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.00 3is7 h ARG 61 CO 0.03 0.62 0.39 0.82 2.80 0.00 0.00 179.97 184.63 3is7 h ILE 62 N 0.40 1.10 -0.33 1.20 2.04 -0.88 -0.40 117.51 120.63 3is7 h ILE 62 Ca 0.11 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 3is7 h ILE 62 Cb 0.32 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3is7 h ILE 62 CO 0.00 0.14 -0.19 -0.07 0.00 0.00 0.00 178.15 178.04 3is7 h LEU 63 N 0.78 0.62 -0.80 1.44 -0.00 -1.06 -0.98 115.31 115.32 3is7 h LEU 63 Ca 0.25 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 3is7 h LEU 63 Cb -0.01 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.45 3is7 h LEU 63 CO -0.09 0.81 0.44 0.15 -0.00 0.00 0.00 178.44 179.76 3is7 h PHE 64 N 0.55 1.09 0.00 1.13 3.57 -0.04 -1.36 116.94 121.88 3is7 h PHE 64 Ca 0.09 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3is7 h PHE 64 Cb 0.64 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3is7 h PHE 64 CO 0.03 0.76 0.00 1.28 -2.23 0.00 0.00 178.31 178.14 3is7 n LEU 65 N -4.42 0.00 -1.39 0.59 4.77 -0.28 -4.87 117.00 111.40 3is7 n LEU 65 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 3is7 n LEU 65 Cb 0.09 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3is7 n LEU 65 CO 0.38 0.00 -0.16 -0.62 -1.33 0.00 0.00 177.39 175.66 3is7 n GLU 66 N -0.84 -1.04 -2.16 3.23 1.02 -0.51 -3.57 120.64 116.77 3is7 n GLU 66 Ca 0.15 0.75 -0.26 0.00 -0.02 0.00 0.00 57.16 57.77 3is7 n GLU 66 Cb 0.07 -4.95 0.09 0.00 -0.02 0.00 0.00 31.44 26.63 3is7 n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3is7 s GLY 67 N -2.53 1.69 -0.43 0.62 0.00 -0.54 -5.01 107.32 101.13 3is7 s GLY 67 Ca 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.60 3is7 s GLY 67 CO 0.00 -0.52 0.30 1.08 0.00 0.00 0.00 173.10 173.96 3is7 s LEU 68 N -5.36 5.26 0.24 0.66 1.43 -1.26 -4.31 118.68 115.34 3is7 s LEU 68 Ca 0.63 -1.32 -0.31 0.00 -1.03 0.00 0.00 54.13 52.10 3is7 s LEU 68 Cb -0.09 -2.08 -0.13 0.00 0.03 0.00 0.00 46.19 43.92 3is7 s LEU 68 CO 0.46 -0.55 1.45 -2.65 0.23 0.00 0.00 176.35 175.29 3is7 n PRO 69 N 5.05 2.16 -3.37 1.29 -0.02 -1.26 -4.94 135.00 133.91 3is7 n PRO 69 Ca -0.11 0.77 -0.45 0.00 -2.02 0.00 0.00 63.50 61.69 3is7 n PRO 69 Cb 0.44 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 3is7 n PRO 69 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3is7 s ASN 70 N 0.36 6.16 0.00 2.55 3.84 -1.26 -4.84 114.94 121.75 3is7 s ASN 70 Ca 0.68 -1.36 0.13 0.00 0.21 0.00 0.00 52.86 52.51 3is7 s ASN 70 Cb -0.62 -2.19 0.36 0.00 -0.55 0.00 0.00 41.25 38.25 3is7 s ASN 70 CO 0.49 -0.68 1.29 0.18 -2.79 0.00 0.00 177.10 175.59 3is7 n LEU 71 N 5.25 3.09 0.04 3.21 4.32 -1.26 -4.64 117.00 127.00 3is7 n LEU 71 Ca -0.12 -1.97 -0.16 0.00 -0.02 0.00 0.00 56.01 53.74 3is7 n LEU 71 Cb 0.43 -0.27 -0.14 0.00 -1.62 0.00 0.00 43.42 41.82 3is7 n LEU 71 CO 0.48 0.77 -0.42 -0.61 -1.22 0.00 0.00 177.39 176.39 3is7 h GLN 72 N 2.45 0.20 -5.29 3.23 5.75 -2.02 -3.45 115.11 115.99 3is7 h GLN 72 Ca 0.00 -0.35 -0.66 0.00 -0.15 0.00 0.00 58.65 57.49 3is7 h GLN 72 Cb 0.77 0.13 -0.16 0.00 1.07 0.00 0.00 27.48 29.30 3is7 h GLN 72 CO 0.00 1.03 0.04 -0.51 -2.65 0.00 0.00 178.83 176.73 3is7 s ASP 73 N -6.84 6.31 -0.32 -0.69 1.01 -1.26 -5.01 116.67 109.87 3is7 s ASP 73 Ca -0.10 -0.29 -0.06 0.00 0.71 0.00 0.00 52.55 52.81 3is7 s ASP 73 Cb 0.07 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 41.73 3is7 s ASP 73 CO 0.84 -0.67 0.09 -0.22 0.21 0.00 0.00 175.17 175.41 3is7 s LEU 74 N 2.61 4.11 0.00 1.23 2.96 -1.26 -4.91 118.68 123.43 3is7 s LEU 74 Ca 0.20 -0.98 0.00 0.00 -0.22 0.00 0.00 54.13 53.13 3is7 s LEU 74 Cb -0.15 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.68 3is7 s LEU 74 CO 0.17 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 3is7 n GLY 75 N 4.82 -2.29 3.65 7.98 0.00 -1.26 -4.95 105.19 113.14 3is7 n GLY 75 Ca -0.13 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.13 4.20 0.22 1.61 2.47 -1.26 -4.90 119.74 119.95 3is7 s LYS 76 Ca 0.00 1.10 -0.30 0.00 -1.56 0.00 0.00 55.97 55.21 3is7 s LYS 76 Cb 0.00 -3.65 -0.08 0.00 -1.46 0.00 0.00 37.83 32.64 3is7 s LYS 76 CO 0.00 -0.58 0.98 -0.51 0.16 0.00 0.00 175.35 175.39 3is7 s LEU 77 N 3.02 4.60 -0.71 5.43 1.02 -1.26 -5.01 118.68 125.77 3is7 s LEU 77 Ca 0.39 1.98 -0.13 0.00 0.02 0.00 0.00 54.13 56.39 3is7 s LEU 77 Cb -0.15 -3.61 0.18 0.00 0.02 0.00 0.00 46.19 42.64 3is7 s LEU 77 CO 0.07 0.05 0.64 -0.76 0.02 0.00 0.00 176.35 176.37 3is7 s LEU 78 N -0.95 6.41 -0.24 1.79 1.43 -1.26 -5.05 118.68 120.82 3is7 s LEU 78 Ca 0.43 -2.42 -0.15 0.00 -1.03 0.00 0.00 54.13 50.96 3is7 s LEU 78 Cb -0.27 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 3is7 s LEU 78 CO 0.33 -0.64 0.37 -0.63 0.23 0.00 0.00 176.35 176.01 3is7 s ILE 79 N 0.60 5.20 0.75 -0.59 -1.09 -1.26 -4.71 121.20 120.09 3is7 s ILE 79 Ca 0.13 0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 59.08 3is7 s ILE 79 Cb -0.17 -3.70 0.10 0.00 -1.58 0.00 0.00 42.46 37.11 3is7 s ILE 79 CO -0.05 0.21 1.06 -0.83 -1.23 0.00 0.00 174.94 174.11 3is7 s GLY 80 N 1.33 1.72 0.00 6.18 0.00 -1.26 -4.99 107.32 110.30 3is7 s GLY 80 Ca 0.16 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.80 3is7 s GLY 80 CO 0.08 -0.62 0.67 -1.84 0.00 0.00 0.00 173.10 171.39 3is7 n GLU 81 N -3.05 -0.07 -4.03 2.90 0.28 -1.26 -4.81 120.64 110.61 3is7 n GLU 81 Ca 0.10 -0.83 -0.12 0.00 -0.16 0.00 0.00 57.16 56.16 3is7 n GLU 81 Cb 0.60 -1.07 -0.04 0.00 1.43 0.00 0.00 31.44 32.36 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 -0.38 0.39 0.09 -1.84 2.20 -1.26 -5.03 114.94 109.12 3is7 s ASN 82 Ca 0.04 -1.23 -0.32 0.00 -0.94 0.00 0.00 52.86 50.42 3is7 s ASN 82 Cb 0.03 0.64 -0.14 0.00 -2.00 0.00 0.00 41.25 39.78 3is7 s ASN 82 CO 0.04 -1.26 1.61 0.74 -2.94 0.00 0.00 177.10 175.29 3is7 h THR 83 N 2.18 0.25 -0.61 0.54 2.02 -1.99 0.17 112.91 115.47 3is7 h THR 83 Ca -0.28 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.02 3is7 h THR 83 Cb 1.25 0.25 -0.11 0.00 -1.74 0.00 0.00 68.15 67.79 3is7 h THR 83 CO 0.38 0.00 -0.11 1.56 0.37 0.00 0.00 175.52 177.72 3is7 h GLN 84 N -0.78 0.02 -0.53 6.66 4.20 -2.00 -0.56 115.11 122.12 3is7 h GLN 84 Ca -0.03 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3is7 h GLN 84 Cb 0.69 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3is7 h GLN 84 CO -0.04 0.02 0.08 0.93 -0.67 0.00 0.00 178.83 179.14 3is7 h GLU 85 N 0.02 0.85 -0.28 1.46 5.08 -1.88 -2.19 114.58 117.64 3is7 h GLU 85 Ca 0.30 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3is7 h GLU 85 Cb 0.46 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3is7 h GLU 85 CO -0.60 0.80 -0.09 0.52 -1.00 0.00 0.00 179.01 178.64 3is7 h MET 86 N 0.81 0.55 -0.51 2.33 2.86 -0.03 -0.30 114.93 120.64 3is7 h MET 86 Ca 0.17 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3is7 h MET 86 Cb 0.37 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3is7 h MET 86 CO 0.01 0.77 0.33 -0.07 1.06 0.00 0.00 176.91 179.01 3is7 h LEU 87 N 0.30 0.57 -1.03 1.22 3.38 -1.11 -0.78 115.31 117.85 3is7 h LEU 87 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3is7 h LEU 87 Cb 0.58 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3is7 h LEU 87 CO 0.03 0.41 0.48 -0.61 0.09 0.00 0.00 178.44 178.85 3is7 h GLN 88 N 0.67 1.16 -0.59 1.13 5.75 -1.25 -1.20 115.11 120.77 3is7 h GLN 88 Ca 0.19 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3is7 h GLN 88 Cb -0.06 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.22 3is7 h GLN 88 CO -0.05 0.83 0.36 0.00 -2.65 0.00 0.00 178.83 177.32 3is7 h ASP 90 N 0.80 0.94 -0.39 0.00 3.32 -0.84 -1.91 116.42 118.34 3is7 h ASP 90 Ca 0.21 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3is7 h ASP 90 Cb -0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3is7 h ASP 90 CO -0.04 0.79 -0.03 0.25 -1.72 0.00 0.00 179.24 178.48 3is7 h LEU 91 N 1.03 0.71 -1.31 1.55 5.85 -0.95 -1.73 115.31 120.46 3is7 h LEU 91 Ca 0.26 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3is7 h LEU 91 Cb 0.07 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3is7 h LEU 91 CO -0.04 0.87 0.48 0.78 -0.34 0.00 0.00 178.44 180.19 3is7 h ASN 92 N 0.53 0.80 -0.39 1.25 2.35 -0.66 -1.43 115.58 118.02 3is7 h ASN 92 Ca 0.11 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3is7 h ASN 92 Cb 0.53 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3is7 h ASN 92 CO 0.03 0.57 -0.29 0.25 -1.65 0.00 0.00 177.43 176.34 3is7 h LEU 93 N 0.94 0.93 -0.54 1.61 5.85 -0.95 -2.76 115.31 120.39 3is7 h LEU 93 Ca 0.27 -0.44 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 3is7 h LEU 93 Cb -0.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 3is7 h LEU 93 CO -0.07 1.17 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.85 3is7 h GLU 94 N 0.70 0.96 -0.52 1.25 4.39 -0.87 0.28 114.58 120.77 3is7 h GLU 94 Ca 0.08 -0.32 0.07 0.00 0.34 0.00 0.00 59.36 59.53 3is7 h GLU 94 Cb 0.87 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.38 3is7 h GLU 94 CO 0.08 0.98 0.20 -0.07 -1.16 0.00 0.00 179.01 179.03 3is7 h LEU 95 N 0.83 0.21 -0.25 1.33 3.38 -1.22 0.57 115.31 120.16 3is7 h LEU 95 Ca 0.15 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3is7 h LEU 95 Cb 0.56 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3is7 h LEU 95 CO 0.03 0.14 0.13 0.50 0.09 0.00 0.00 178.44 179.34 3is7 h LYS 96 N 0.38 0.35 -0.61 1.13 1.63 -1.29 -2.44 116.57 115.72 3is7 h LYS 96 Ca 0.25 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.06 3is7 h LYS 96 Cb 0.26 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.78 3is7 h LYS 96 CO -0.25 0.32 0.33 0.00 -3.45 0.00 0.00 179.45 176.41 3is7 h ALA 97 N 1.01 0.80 -0.52 5.00 0.00 -0.40 -1.35 119.26 123.80 3is7 h ALA 97 Ca 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3is7 h ALA 97 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3is7 h ALA 97 CO -0.01 0.01 0.19 1.15 0.00 0.00 0.00 179.25 180.59 3is7 h THR 98 N 0.63 1.22 -0.59 0.00 2.02 -0.91 -0.82 112.91 114.46 3is7 h THR 98 Ca 0.27 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3is7 h THR 98 Cb 0.15 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3is7 h THR 98 CO -0.16 0.27 0.38 0.50 0.37 0.00 0.00 175.52 176.87 3is7 h LYS 99 N 0.70 0.78 -0.24 6.66 3.64 -1.01 -0.40 116.57 126.71 3is7 h LYS 99 Ca 0.17 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3is7 h LYS 99 Cb 0.22 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3is7 h LYS 99 CO -0.01 0.53 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.10 3is7 h ASP 100 N 0.80 0.39 -0.39 4.20 3.32 -0.91 -2.76 116.42 121.07 3is7 h ASP 100 Ca 0.21 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3is7 h ASP 100 Cb -0.07 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3is7 h ASP 100 CO -0.04 0.58 0.04 -0.07 -1.72 0.00 0.00 179.24 178.03 3is7 h LEU 101 N 0.37 0.64 -1.13 1.55 -0.00 -0.67 -0.73 115.31 115.35 3is7 h LEU 101 Ca 0.07 -0.28 -0.05 0.00 -0.00 0.00 0.00 57.88 57.62 3is7 h LEU 101 Cb 0.51 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 3is7 h LEU 101 CO 0.03 0.76 0.08 0.03 -0.00 0.00 0.00 178.44 179.34 3is7 h ARG 102 N 0.50 0.69 -0.11 1.13 3.08 -0.83 -1.27 114.38 117.56 3is7 h ARG 102 Ca 0.12 -0.14 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 3is7 h ARG 102 Cb 0.41 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3is7 h ARG 102 CO 0.01 0.65 -0.68 0.93 -1.07 0.00 0.00 179.97 179.81 3is7 h GLU 103 N 0.67 0.48 -0.75 0.04 5.08 -1.22 -1.93 114.58 116.95 3is7 h GLU 103 Ca 0.15 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3is7 h GLU 103 Cb 0.30 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3is7 h GLU 103 CO 0.00 0.99 0.41 0.00 -1.00 0.00 0.00 179.01 179.42 3is7 h ALA 104 N 0.91 0.96 -0.18 3.43 0.00 -0.88 -2.58 119.26 120.93 3is7 h ALA 104 Ca -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3is7 h ALA 104 Cb 1.25 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3is7 h ALA 104 CO 0.12 0.47 -0.04 0.82 0.00 0.00 0.00 179.25 180.62 3is7 h ILE 105 N 1.03 1.28 -0.57 0.00 2.04 -1.01 -0.19 117.51 120.10 3is7 h ILE 105 Ca 0.26 -1.00 0.11 0.00 1.00 0.00 0.00 64.86 65.24 3is7 h ILE 105 Cb 0.03 1.58 -0.11 0.00 -0.74 0.00 0.00 36.82 37.58 3is7 h ILE 105 CO -0.04 0.30 -0.11 0.58 0.00 0.00 0.00 178.15 178.87 3is7 h VAL 106 N 0.06 0.45 -0.31 1.67 2.07 -1.33 -1.17 116.25 117.68 3is7 h VAL 106 Ca 0.05 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 3is7 h VAL 106 Cb 0.48 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3is7 h VAL 106 CO 0.02 0.00 -0.34 -0.74 0.02 0.00 0.00 177.57 176.53 3is7 h HIS 107 N 0.02 0.81 -0.62 1.57 -0.00 -1.10 -1.21 115.15 114.62 3is7 h HIS 107 Ca 0.28 -0.22 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 3is7 h HIS 107 Cb 0.43 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.63 3is7 h HIS 107 CO -0.45 0.94 0.37 0.00 -0.00 0.00 0.00 177.93 178.79 3is7 h GLU 109 N 0.84 -0.24 -1.00 0.00 4.57 -0.86 0.12 114.58 118.01 3is7 h GLU 109 Ca 0.22 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.63 3is7 h GLU 109 Cb -0.02 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 28.52 3is7 h GLU 109 CO -0.04 -0.16 0.62 1.96 -1.18 0.00 0.00 179.01 180.21 3is7 h GLN 110 N -0.25 0.62 -0.47 1.92 4.20 -0.94 -1.77 115.11 118.43 3is7 h GLN 110 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3is7 h GLN 110 Cb 0.22 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3is7 h GLN 110 CO 0.00 0.41 0.00 1.33 -0.67 0.00 0.00 178.83 179.91 3is7 n VAL 111 N -4.74 2.05 -1.67 -0.54 0.24 -0.78 -4.94 118.33 107.95 3is7 n VAL 111 Ca 0.24 -1.43 -0.12 0.00 -2.04 0.00 0.00 64.34 60.99 3is7 n VAL 111 Cb 0.66 -0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 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 0.42 -0.21 -2.57 6.34 8.25 -0.67 -4.94 115.22 121.85 3is7 n HIS 112 Ca 0.23 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.26 3is7 n HIS 112 Cb 0.89 -2.38 0.00 0.00 1.12 0.00 0.00 29.99 29.62 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 -0.05 5.28 0.24 0.41 -0.08 0.35 -4.79 116.55 117.92 3is7 n ASP 113 Ca -0.13 -3.12 0.12 0.00 -1.51 0.00 0.00 54.79 50.16 3is7 n ASP 113 Cb 0.47 -1.47 0.57 0.00 2.34 0.00 0.00 41.12 43.03 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 6.02 0.00 0.06 -0.67 0.05 -1.92 -2.10 116.97 118.41 3is7 h TYR 114 Ca 0.35 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.88 3is7 h TYR 114 Cb 0.68 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.45 3is7 h TYR 114 CO 1.18 0.16 -1.02 0.28 -1.05 0.00 0.00 178.16 177.71 3is7 h VAL 115 N 0.00 1.32 -0.41 -2.88 2.07 -1.97 -1.49 116.25 112.91 3is7 h VAL 115 Ca -0.00 -2.32 -0.07 0.00 0.82 0.00 0.00 66.70 65.13 3is7 h VAL 115 Cb 0.61 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 3is7 h VAL 115 CO 0.02 0.70 -0.04 0.28 0.02 0.00 0.00 177.57 178.55 3is7 h SER 116 N 0.20 0.65 -0.04 0.57 0.02 -1.92 -1.60 113.55 111.42 3is7 h SER 116 Ca -0.14 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3is7 h SER 116 Cb 1.71 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.08 3is7 h SER 116 CO 0.20 0.74 0.03 -0.09 -1.14 0.00 0.00 176.83 176.57 3is7 h ARG 117 N 0.63 0.06 -0.76 3.45 2.43 -1.34 -0.71 114.38 118.14 3is7 h ARG 117 Ca 0.12 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3is7 h ARG 117 Cb 0.45 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 3is7 h ARG 117 CO 0.02 0.09 0.45 0.22 -1.51 0.00 0.00 179.97 179.24 3is7 h ASP 118 N 0.01 0.68 -0.42 -3.80 3.58 -0.92 0.14 116.42 115.70 3is7 h ASP 118 Ca 0.02 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.53 3is7 h ASP 118 Cb 0.05 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 3is7 h ASP 118 CO -0.00 0.43 0.20 0.25 -2.88 0.00 0.00 179.24 177.24 3is7 h LEU 119 N 0.81 0.29 -1.04 2.28 6.46 -1.13 -1.93 115.31 121.05 3is7 h LEU 119 Ca 0.34 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 58.03 3is7 h LEU 119 Cb 0.20 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 3is7 h LEU 119 CO -0.18 0.21 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.43 3is7 h LEU 120 N 0.41 0.24 -0.45 2.25 3.38 -0.52 -2.09 115.31 118.53 3is7 h LEU 120 Ca 0.18 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 3is7 h LEU 120 Cb 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3is7 h LEU 120 CO -0.13 0.58 -0.56 0.50 0.09 0.00 0.00 178.44 178.93 3is7 h LYS 121 N 0.20 0.65 -0.73 1.13 3.64 -0.49 -0.27 116.57 120.71 3is7 h LYS 121 Ca 0.02 -0.41 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 3is7 h LYS 121 Cb 0.72 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3is7 h LYS 121 CO 0.05 1.03 0.35 -0.44 -2.27 0.00 0.00 179.45 178.17 3is7 h ASP 122 N 0.50 0.94 -0.55 4.20 3.32 -0.87 -1.47 116.42 122.49 3is7 h ASP 122 Ca 0.01 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.85 3is7 h ASP 122 Cb 1.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3is7 h ASP 122 CO 0.11 0.80 -0.05 0.40 -1.72 0.00 0.00 179.24 178.78 3is7 h ILE 123 N 1.04 1.26 -0.51 0.35 2.04 -0.99 -2.55 117.51 118.16 3is7 h ILE 123 Ca 0.25 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 3is7 h ILE 123 Cb 0.11 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3is7 h ILE 123 CO -0.03 0.43 0.17 0.25 0.00 0.00 0.00 178.15 178.96 3is7 h LEU 124 N 0.92 0.73 -0.93 1.44 5.85 -0.54 -0.33 115.31 122.46 3is7 h LEU 124 Ca 0.16 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3is7 h LEU 124 Cb 0.60 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3is7 h LEU 124 CO 0.04 0.74 0.60 -0.08 -0.34 0.00 0.00 178.44 179.40 3is7 h GLU 125 N 0.69 1.12 -0.29 1.25 4.81 -1.09 -0.14 114.58 120.93 3is7 h GLU 125 Ca 0.16 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 3is7 h GLU 125 Cb 0.26 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3is7 h GLU 125 CO -0.01 0.74 -0.31 1.03 -0.73 0.00 0.00 179.01 179.74 3is7 h SER 126 N 1.16 0.62 0.11 1.04 0.87 -0.98 -1.94 113.55 114.42 3is7 h SER 126 Ca 0.37 -0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.56 3is7 h SER 126 Cb 0.02 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3is7 h SER 126 CO -0.13 0.89 -0.45 -0.33 -0.53 0.00 0.00 176.83 176.29 3is7 h GLU 127 N 0.51 0.41 -0.83 2.24 4.39 -0.24 -2.01 114.58 119.06 3is7 h GLU 127 Ca 0.06 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3is7 h GLU 127 Cb 0.79 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 3is7 h GLU 127 CO 0.06 0.78 0.46 0.93 -1.16 0.00 0.00 179.01 180.08 3is7 h GLU 128 N 0.33 1.15 -0.68 2.33 5.08 -0.87 0.56 114.58 122.49 3is7 h GLU 128 Ca 0.02 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3is7 h GLU 128 Cb 0.92 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3is7 h GLU 128 CO 0.08 0.84 0.29 0.93 -1.00 0.00 0.00 179.01 180.15 3is7 h GLU 129 N 1.15 0.98 -0.44 2.33 5.08 -1.08 -0.68 114.58 121.93 3is7 h GLU 129 Ca 0.29 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 3is7 h GLU 129 Cb 0.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3is7 h GLU 129 CO -0.05 0.78 -0.27 1.25 -1.00 0.00 0.00 179.01 179.73 3is7 h HIS 130 N 0.97 1.09 -0.98 4.33 2.76 -0.59 -1.63 115.15 121.10 3is7 h HIS 130 Ca 0.23 -0.28 0.03 0.00 -2.20 0.00 0.00 60.37 58.15 3is7 h HIS 130 Cb 0.15 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 3is7 h HIS 130 CO 0.01 1.09 0.64 0.82 -1.30 0.00 0.00 177.93 179.19 3is7 h ILE 131 N 0.80 1.19 -0.29 6.26 2.04 -0.47 -1.07 117.51 125.97 3is7 h ILE 131 Ca 0.09 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3is7 h ILE 131 Cb 0.84 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3is7 h ILE 131 CO 0.07 0.23 0.08 -0.78 0.00 0.00 0.00 178.15 177.75 3is7 h ASP 132 N 1.26 0.44 -0.19 1.72 3.58 -0.79 0.78 116.42 123.21 3is7 h ASP 132 Ca 0.38 -0.22 0.04 0.00 0.42 0.00 0.00 57.03 57.65 3is7 h ASP 132 Cb -0.04 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.85 3is7 h ASP 132 CO -0.11 0.55 -0.09 0.22 -2.88 0.00 0.00 179.24 176.93 3is7 h TYR 133 N 0.31 -0.21 -0.23 0.28 3.20 -0.92 -1.11 116.97 118.30 3is7 h TYR 133 Ca 0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3is7 h TYR 133 Cb 0.27 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3is7 h TYR 133 CO 0.01 -0.14 0.11 -0.07 -1.64 0.00 0.00 178.16 176.43 3is7 h LEU 134 N -0.06 0.29 -0.56 2.82 4.07 -0.85 0.48 115.31 121.51 3is7 h LEU 134 Ca 0.10 -0.12 0.06 0.00 0.08 0.00 0.00 57.88 58.00 3is7 h LEU 134 Cb 0.22 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.83 3is7 h LEU 134 CO -0.23 0.34 0.27 -0.33 -1.08 0.00 0.00 178.44 177.40 3is7 h GLU 135 N 0.23 0.50 -0.53 1.13 5.08 -0.82 -1.35 114.58 118.82 3is7 h GLU 135 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3is7 h GLU 135 Cb 0.12 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3is7 h GLU 135 CO -0.01 0.33 0.34 1.15 -1.00 0.00 0.00 179.01 179.81 3is7 h THR 136 N 0.51 1.15 -0.31 1.13 2.02 -0.84 -0.44 112.91 116.12 3is7 h THR 136 Ca 0.26 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3is7 h THR 136 Cb 0.20 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3is7 h THR 136 CO -0.20 0.15 0.16 1.56 0.37 0.00 0.00 175.52 177.56 3is7 h GLN 137 N 0.71 0.45 -0.74 6.66 1.08 -0.47 -0.53 115.11 122.26 3is7 h GLN 137 Ca 0.19 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3is7 h GLN 137 Cb -0.05 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.26 3is7 h GLN 137 CO -0.04 0.40 0.42 -0.07 -0.95 0.00 0.00 178.83 178.59 3is7 h LEU 138 N 0.38 0.91 -0.78 1.46 -0.00 -1.09 -1.18 115.31 115.01 3is7 h LEU 138 Ca 0.11 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 3is7 h LEU 138 Cb 0.10 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.49 3is7 h LEU 138 CO -0.02 0.73 0.37 1.23 -0.00 0.00 0.00 178.44 180.75 3is7 h GLY 139 N 1.07 1.22 1.18 0.83 0.00 -0.66 -3.07 103.07 103.64 3is7 h GLY 139 Ca 0.26 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 3is7 h GLY 139 CO -0.04 0.58 0.01 1.41 0.00 0.00 0.00 176.54 178.50 3is7 h LEU 140 N 1.11 0.96 -1.36 3.11 3.38 0.02 -1.70 115.31 120.84 3is7 h LEU 140 Ca 0.27 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3is7 h LEU 140 Cb 0.13 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3is7 h LEU 140 CO -0.03 1.01 0.52 0.40 0.09 0.00 0.00 178.44 180.42 3is7 h ILE 141 N 0.91 0.94 -0.03 1.22 2.04 -1.18 0.23 117.51 121.64 3is7 h ILE 141 Ca 0.17 -0.24 -0.22 0.00 1.00 0.00 0.00 64.86 65.56 3is7 h ILE 141 Cb 0.51 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3is7 h ILE 141 CO 0.03 0.13 -0.90 1.56 0.00 0.00 0.00 178.15 178.97 3is7 h GLN 142 N 0.71 0.48 0.08 2.37 1.08 -1.40 -1.60 115.11 116.84 3is7 h GLN 142 Ca 0.36 -0.48 -0.26 0.00 -1.45 0.00 0.00 58.65 56.82 3is7 h GLN 142 Cb 0.46 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 3is7 h GLN 142 CO -0.14 1.12 -1.25 0.87 -0.95 0.00 0.00 178.83 178.48 3is7 h LYS 143 N 0.29 0.16 -0.00 1.46 1.57 -0.32 -3.37 116.57 116.36 3is7 h LYS 143 Ca -0.07 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3is7 h LYS 143 Cb 1.52 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.94 3is7 h LYS 143 CO 0.16 1.08 -0.53 1.33 -0.57 0.00 0.00 179.45 180.92 3is7 n VAL 144 N -3.43 0.00 0.00 0.50 0.24 0.68 -5.09 118.33 111.23 3is7 n VAL 144 Ca -0.08 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3is7 n VAL 144 Cb 1.00 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 34.42 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 1.24 -0.62 0.21 7.63 0.00 -0.60 -4.37 105.19 108.67 3is7 n GLY 145 Ca 0.03 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 0.48 -0.21 0.99 5.85 -1.90 -1.86 115.31 118.67 3is7 h LEU 146 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3is7 h LEU 146 Cb 0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3is7 h LEU 146 CO 0.00 0.34 0.12 -0.33 -0.34 0.00 0.00 178.44 178.23 3is7 h GLU 147 N 0.60 0.29 -0.80 1.25 5.08 -1.93 -0.20 114.58 118.86 3is7 h GLU 147 Ca 0.21 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3is7 h GLU 147 Cb 0.03 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3is7 h GLU 147 CO -0.10 0.26 0.46 -0.91 -1.00 0.00 0.00 179.01 177.72 3is7 h ASN 148 N 0.24 0.98 -0.25 1.42 2.35 -1.75 -1.47 115.58 117.11 3is7 h ASN 148 Ca 0.07 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3is7 h ASN 148 Cb 0.05 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3is7 h ASN 148 CO -0.01 0.78 -0.13 0.22 -1.65 0.00 0.00 177.43 176.64 3is7 h TYR 149 N 1.12 0.60 -0.39 1.19 3.20 -0.78 -1.66 116.97 120.25 3is7 h TYR 149 Ca 0.29 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3is7 h TYR 149 Cb -0.00 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3is7 h TYR 149 CO 0.01 0.79 0.15 -0.07 -1.64 0.00 0.00 178.16 177.40 3is7 h LEU 150 N 0.24 0.55 -0.88 2.82 3.38 -1.00 -2.79 115.31 117.62 3is7 h LEU 150 Ca 0.05 -0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.04 3is7 h LEU 150 Cb 0.64 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.13 3is7 h LEU 150 CO 0.04 0.57 0.43 -0.61 0.09 0.00 0.00 178.44 178.95 3is7 h GLN 151 N 0.49 0.50 0.00 1.13 4.15 -1.09 0.44 115.11 120.73 3is7 h GLN 151 Ca 0.13 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3is7 h GLN 151 Cb 0.20 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.78 3is7 h GLN 151 CO -0.01 0.33 0.00 0.43 -1.93 0.00 0.00 178.83 177.65 3is7 n SER 152 N -4.96 0.00 -0.39 -0.69 7.64 -0.64 -2.49 113.62 112.10 3is7 n SER 152 Ca 0.20 0.45 0.04 0.00 1.01 0.00 0.00 58.87 60.57 3is7 n SER 152 Cb 0.56 -0.47 0.11 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.47 0.31 -0.05 1.43 8.25 0.12 -4.61 115.22 119.19 3is7 n HIS 153 Ca 0.04 -0.59 -0.12 0.00 -0.26 0.00 0.00 57.72 56.79 3is7 n HIS 153 Cb 0.18 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.15 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 1.09 0.28 -5.72 -0.41 2.86 -1.17 -1.29 114.93 110.58 3is7 h MET 154 Ca 0.00 -0.12 -0.66 0.00 -2.06 0.00 0.00 59.70 56.85 3is7 h MET 154 Cb 0.75 -0.01 -0.13 0.00 0.06 0.00 0.00 31.60 32.28 3is7 h MET 154 CO 0.02 0.62 -0.56 -1.01 1.06 0.00 0.00 176.91 177.04 3is7 s HIS 155 N -4.56 3.32 -2.00 -0.22 3.76 -1.26 -2.17 115.29 112.16 3is7 s HIS 155 Ca -0.14 0.28 0.07 0.00 -0.15 0.00 0.00 55.06 55.12 3is7 s HIS 155 Cb 0.05 -1.90 0.44 0.00 1.11 0.00 0.00 32.58 32.29 3is7 s HIS 155 CO 0.73 0.49 0.90 0.39 -0.85 0.00 0.00 174.74 176.40