#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isf s GLY 3 N 0.00 1.65 0.33 2.58 0.00 0.41 -5.01 107.32 107.28 3isf s GLY 3 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 44.72 43.54 3isf s GLY 3 CO 0.00 -0.59 1.48 -0.35 0.00 0.00 0.00 173.10 173.64 3isf s ASP 4 N -4.36 6.47 0.27 1.64 2.15 -1.26 -4.89 116.67 116.69 3isf s ASP 4 Ca 0.55 2.90 0.04 0.00 0.43 0.00 0.00 52.55 56.47 3isf s ASP 4 Cb -0.10 -2.65 0.36 0.00 -0.30 0.00 0.00 42.92 40.23 3isf s ASP 4 CO 0.43 -0.80 1.66 0.50 -0.17 0.00 0.00 175.17 176.79 3isf h LYS 5 N 3.90 0.36 -0.02 4.34 3.64 -1.98 -1.89 116.57 124.93 3isf h LYS 5 Ca -0.49 -0.18 -0.15 0.00 -1.27 0.00 0.00 60.65 58.57 3isf h LYS 5 Cb 1.23 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 3isf h LYS 5 CO 0.71 0.71 -0.67 0.87 -2.27 0.00 0.00 179.45 178.80 3isf h LYS 6 N 0.30 0.11 0.12 1.90 1.57 -1.99 -2.23 116.57 116.35 3isf h LYS 6 Ca 0.03 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3isf h LYS 6 Cb 0.85 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 3isf h LYS 6 CO 0.07 0.74 -0.21 0.28 -0.57 0.00 0.00 179.45 179.75 3isf h VAL 7 N 0.07 0.52 -0.98 0.50 2.07 -1.82 0.07 116.25 116.68 3isf h VAL 7 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 3isf h VAL 7 Cb 1.20 0.52 -0.10 0.00 -1.52 0.00 0.00 31.29 31.39 3isf h VAL 7 CO 0.10 0.00 0.59 0.40 0.02 0.00 0.00 177.57 178.68 3isf h ILE 8 N -0.41 0.80 -0.44 4.57 2.04 -1.30 0.28 117.51 123.04 3isf h ILE 8 Ca 0.02 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 3isf h ILE 8 Cb 0.43 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3isf h ILE 8 CO -0.11 0.15 -0.29 1.56 0.00 0.00 0.00 178.15 179.46 3isf h GLN 9 N 0.84 0.97 -0.29 2.37 4.20 -0.99 0.31 115.11 122.52 3isf h GLN 9 Ca 0.53 -0.46 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3isf h GLN 9 Cb 0.69 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3isf h GLN 9 CO -0.33 1.13 0.18 0.45 -0.67 0.00 0.00 178.83 179.58 3isf h HIS 10 N 0.81 0.33 -0.50 2.96 3.86 0.41 -0.09 115.15 122.93 3isf h HIS 10 Ca 0.09 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3isf h HIS 10 Cb 0.88 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.21 3isf h HIS 10 CO 0.06 0.20 0.28 -0.07 0.86 0.00 0.00 177.93 179.27 3isf h LEU 11 N 0.36 0.45 -1.30 2.43 3.38 -0.22 -0.23 115.31 120.18 3isf h LEU 11 Ca 0.11 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3isf h LEU 11 Cb -0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3isf h LEU 11 CO -0.04 0.32 0.11 0.78 0.09 0.00 0.00 178.44 179.69 3isf h ASN 12 N 0.57 0.54 -0.25 -0.43 2.35 -0.83 -1.19 115.58 116.34 3isf h ASN 12 Ca 0.20 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 3isf h ASN 12 Cb 0.05 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3isf h ASN 12 CO -0.11 0.53 -0.17 0.50 -1.65 0.00 0.00 177.43 176.53 3isf h LYS 13 N 0.58 0.56 -0.87 0.81 3.64 0.09 -0.41 116.57 120.96 3isf h LYS 13 Ca 0.14 -0.27 0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3isf h LYS 13 Cb 0.20 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 3isf h LYS 13 CO -0.01 0.84 0.55 0.82 -2.27 0.00 0.00 179.45 179.39 3isf h ILE 14 N 0.27 1.08 -0.71 2.00 1.08 -0.94 -1.80 117.51 118.50 3isf h ILE 14 Ca 0.05 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.13 3isf h ILE 14 Cb 0.71 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 3isf h ILE 14 CO 0.05 0.19 0.30 0.25 -0.69 0.00 0.00 178.15 178.24 3isf h LEU 15 N 1.03 0.96 -0.88 1.44 5.85 -1.04 -1.36 115.31 121.31 3isf h LEU 15 Ca 0.37 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.97 3isf h LEU 15 Cb 0.11 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3isf h LEU 15 CO -0.15 0.86 0.56 1.23 -0.34 0.00 0.00 178.44 180.60 3isf h GLY 16 N 1.00 1.28 1.14 3.75 0.00 -0.42 0.19 103.07 110.03 3isf h GLY 16 Ca 0.24 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 3isf h GLY 16 CO -0.02 0.35 0.02 3.43 0.00 0.00 0.00 176.54 180.32 3isf h ASN 17 N 1.08 1.00 -0.43 0.19 2.35 -0.59 -2.40 115.58 116.78 3isf h ASN 17 Ca 0.36 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3isf h ASN 17 Cb 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3isf h ASN 17 CO -0.13 1.04 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.33 3isf h GLU 18 N 0.95 0.86 -0.50 0.81 4.39 -0.44 -1.87 114.58 118.78 3isf h GLU 18 Ca 0.17 -0.26 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 3isf h GLU 18 Cb 0.52 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3isf h GLU 18 CO 0.03 0.88 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.51 3isf h LEU 19 N 0.79 1.03 -0.30 1.33 3.38 -0.35 0.61 115.31 121.79 3isf h LEU 19 Ca 0.14 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3isf h LEU 19 Cb 0.52 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3isf h LEU 19 CO 0.03 1.17 0.12 0.40 0.09 0.00 0.00 178.44 180.25 3isf h ILE 20 N 0.87 0.94 -0.81 1.22 2.04 -1.28 -3.09 117.51 117.40 3isf h ILE 20 Ca 0.12 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3isf h ILE 20 Cb 0.75 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3isf h ILE 20 CO 0.06 0.05 0.41 0.00 0.00 0.00 0.00 178.15 178.66 3isf h ALA 21 N 1.18 1.05 -0.02 1.87 0.00 -0.85 0.19 119.26 122.67 3isf h ALA 21 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3isf h ALA 21 Cb 0.09 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 3isf h ALA 21 CO -0.12 0.59 -0.42 0.82 0.00 0.00 0.00 179.25 180.12 3isf h ILE 22 N 1.14 0.16 -0.35 0.00 2.04 -0.82 -0.45 117.51 119.23 3isf h ILE 22 Ca 0.28 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 66.00 3isf h ILE 22 Cb 0.09 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3isf h ILE 22 CO -0.04 0.00 -0.35 0.78 0.00 0.00 0.00 178.15 178.54 3isf h ASN 23 N -0.56 0.83 -0.05 1.72 4.21 -1.34 -1.22 115.58 119.17 3isf h ASN 23 Ca 0.05 -0.36 -0.01 0.00 1.21 0.00 0.00 56.30 57.20 3isf h ASN 23 Cb 0.65 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.61 3isf h ASN 23 CO -0.33 1.10 0.01 -0.61 -1.29 0.00 0.00 177.43 176.31 3isf h GLN 24 N 0.66 0.09 -0.35 0.81 4.15 -0.52 -1.85 115.11 118.09 3isf h GLN 24 Ca 0.06 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 3isf h GLN 24 Cb 0.90 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 3isf h GLN 24 CO 0.08 0.30 -0.10 1.88 -1.93 0.00 0.00 178.83 179.06 3isf h TYR 25 N -0.14 0.64 -0.46 3.99 0.05 -1.11 -0.91 116.97 119.03 3isf h TYR 25 Ca 0.02 -0.10 -0.13 0.00 0.05 0.00 0.00 58.73 58.57 3isf h TYR 25 Cb 0.25 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 3isf h TYR 25 CO 0.01 0.68 -0.23 0.35 -1.05 0.00 0.00 178.16 177.92 3isf h PHE 26 N 0.55 1.07 -0.35 4.88 3.04 -1.14 0.14 116.94 125.13 3isf h PHE 26 Ca 0.10 -0.26 -0.17 0.00 3.98 0.00 0.00 57.97 61.62 3isf h PHE 26 Cb 0.50 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 3isf h PHE 26 CO 0.02 1.06 -0.44 1.25 -2.02 0.00 0.00 178.31 178.18 3isf h LEU 27 N 0.81 0.99 -0.62 0.59 5.85 -1.19 -2.03 115.31 119.71 3isf h LEU 27 Ca 0.10 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3isf h LEU 27 Cb 0.79 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3isf h LEU 27 CO 0.07 1.28 0.26 0.45 -0.34 0.00 0.00 178.44 180.16 3isf h HIS 28 N 0.73 0.93 -0.28 1.25 3.86 -0.92 0.43 115.15 121.15 3isf h HIS 28 Ca 0.05 -0.06 0.06 0.00 -1.16 0.00 0.00 60.37 59.25 3isf h HIS 28 Cb 1.04 -0.28 -0.06 0.00 1.06 0.00 0.00 27.41 29.18 3isf h HIS 28 CO 0.07 0.73 -0.10 1.03 0.86 0.00 0.00 177.93 180.52 3isf h SER 29 N 0.86 -0.34 0.97 2.45 0.87 -0.56 -0.90 113.55 116.90 3isf h SER 29 Ca 0.21 0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 3isf h SER 29 Cb 0.18 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3isf h SER 29 CO -0.02 -0.13 -0.24 0.03 -0.53 0.00 0.00 176.83 175.94 3isf h ARG 30 N -0.04 0.00 -0.27 2.24 -0.00 -1.04 -1.56 114.38 113.70 3isf h ARG 30 Ca 0.14 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.49 3isf h ARG 30 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.22 3isf h ARG 30 CO -0.31 0.24 -0.33 0.52 0.00 0.00 0.00 179.97 180.09 3isf h MET 31 N 0.00 0.70 -0.61 0.04 2.86 -0.43 -0.71 114.93 116.78 3isf h MET 31 Ca -0.00 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.22 3isf h MET 31 Cb 0.79 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 3isf h MET 31 CO 0.03 1.01 0.26 -1.49 1.06 0.00 0.00 176.91 177.78 3isf h TRP 32 N 0.43 0.91 -0.43 -0.22 6.55 -0.77 -0.99 115.95 121.43 3isf h TRP 32 Ca 0.04 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 59.80 3isf h TRP 32 Cb 0.91 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.91 3isf h TRP 32 CO 0.08 0.71 0.19 -0.91 -1.05 0.00 0.00 178.44 177.46 3isf h ASN 33 N 0.84 0.58 -0.73 -3.49 -0.26 -1.25 0.55 115.58 111.81 3isf h ASN 33 Ca 0.20 -0.15 0.15 0.00 -0.56 0.00 0.00 56.30 55.95 3isf h ASN 33 Cb 0.17 -0.15 -0.10 0.00 -1.06 0.00 0.00 38.32 37.18 3isf h ASN 33 CO -0.02 0.56 0.21 -0.78 -1.06 0.00 0.00 177.43 176.35 3isf h ASP 34 N 0.55 0.09 0.54 5.81 3.58 -0.83 -1.28 116.42 124.88 3isf h ASP 34 Ca 0.15 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.73 3isf h ASP 34 Cb 0.15 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.36 3isf h ASP 34 CO -0.02 0.01 0.00 0.79 -2.88 0.00 0.00 179.24 177.14 3isf n TRP 35 N -5.11 0.00 -0.60 0.28 8.01 -0.40 -4.89 117.44 114.74 3isf n TRP 35 Ca 0.14 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.33 3isf n TRP 35 Cb 0.44 -0.28 0.00 0.00 -2.01 0.00 0.00 31.31 29.46 3isf n TRP 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3isf n GLY 36 N 1.20 0.67 3.10 6.99 0.00 -0.48 -4.98 105.19 111.69 3isf n GLY 36 Ca 0.14 -0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 3isf n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3isf n LEU 37 N 0.00 6.17 0.18 0.99 4.77 0.11 -4.53 117.00 124.69 3isf n LEU 37 Ca 0.00 -5.09 0.06 0.00 -0.03 0.00 0.00 56.01 50.94 3isf n LEU 37 Cb 0.00 -1.36 0.29 0.00 -2.33 0.00 0.00 43.42 40.02 3isf n LEU 37 CO 0.00 1.54 0.66 0.11 -1.33 0.00 0.00 177.39 178.37 3isf h LYS 38 N 5.85 0.00 -0.10 3.23 1.57 -0.93 -1.19 116.57 125.00 3isf h LYS 38 Ca 0.22 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.79 3isf h LYS 38 Cb 0.69 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.01 3isf h LYS 38 CO 1.27 0.38 -0.73 -0.09 -0.57 0.00 0.00 179.45 179.70 3isf h ARG 39 N 0.00 0.67 -0.27 3.15 2.43 -1.49 -0.61 114.38 118.26 3isf h ARG 39 Ca -0.00 -0.59 -0.02 0.00 -0.81 0.00 0.00 59.98 58.56 3isf h ARG 39 Cb 0.98 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3isf h ARG 39 CO 0.05 1.20 0.11 -0.07 -1.51 0.00 0.00 179.97 179.75 3isf h LEU 40 N 0.34 0.38 -0.36 3.80 3.38 -1.55 -0.52 115.31 120.78 3isf h LEU 40 Ca -0.06 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.81 3isf h LEU 40 Cb 1.38 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.98 3isf h LEU 40 CO 0.15 0.43 0.02 1.23 0.09 0.00 0.00 178.44 180.36 3isf h GLY 41 N 0.30 0.37 0.88 0.83 0.00 -1.16 -0.27 103.07 104.01 3isf h GLY 41 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3isf h GLY 41 CO -0.01 -0.07 0.07 0.00 0.00 0.00 0.00 176.54 176.53 3isf h ALA 42 N 1.30 0.22 -0.51 3.60 0.00 -1.05 -1.20 119.26 121.63 3isf h ALA 42 Ca 0.17 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3isf h ALA 42 Cb 0.23 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3isf h ALA 42 CO -0.28 -0.18 0.20 1.25 0.00 0.00 0.00 179.25 180.24 3isf h HIS 43 N 0.12 0.36 -0.15 0.00 6.17 -0.80 -2.38 115.15 118.46 3isf h HIS 43 Ca 0.06 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.06 3isf h HIS 43 Cb 0.18 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.01 3isf h HIS 43 CO -0.01 0.13 -0.36 1.49 0.71 0.00 0.00 177.93 179.89 3isf h GLU 44 N 0.39 0.32 -0.28 5.26 4.57 -0.96 -1.80 114.58 122.09 3isf h GLU 44 Ca 0.24 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.31 3isf h GLU 44 Cb 0.23 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 3isf h GLU 44 CO -0.22 0.64 0.10 -0.92 -1.18 0.00 0.00 179.01 177.43 3isf h TYR 45 N 0.27 0.19 -0.58 0.92 3.20 -0.84 -1.73 116.97 118.40 3isf h TYR 45 Ca 0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3isf h TYR 45 Cb 0.76 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 3isf h TYR 45 CO 0.02 0.09 0.36 0.45 -1.64 0.00 0.00 178.16 177.44 3isf h HIS 46 N 0.23 0.74 -0.39 -3.82 3.86 -0.90 -0.12 115.15 114.76 3isf h HIS 46 Ca 0.12 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3isf h HIS 46 Cb 0.08 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3isf h HIS 46 CO -0.12 0.48 0.11 0.93 0.86 0.00 0.00 177.93 180.19 3isf h GLU 47 N 0.79 0.62 -0.34 2.45 4.39 -1.15 0.19 114.58 121.53 3isf h GLU 47 Ca 0.21 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.82 3isf h GLU 47 Cb -0.06 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.46 3isf h GLU 47 CO -0.04 0.63 0.05 1.03 -1.16 0.00 0.00 179.01 179.51 3isf h SER 48 N 0.49 -0.04 -0.67 1.42 0.87 -0.75 -2.03 113.55 112.83 3isf h SER 48 Ca 0.13 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3isf h SER 48 Cb 0.28 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 3isf h SER 48 CO -0.00 0.02 0.42 0.40 -0.53 0.00 0.00 176.83 177.14 3isf h ILE 49 N 0.15 1.10 -0.75 2.23 1.08 -0.88 -1.06 117.51 119.39 3isf h ILE 49 Ca 0.16 -0.29 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 3isf h ILE 49 Cb 0.19 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 34.09 3isf h ILE 49 CO -0.23 0.15 0.50 0.44 -0.69 0.00 0.00 178.15 178.32 3isf h ASP 50 N 0.84 0.80 0.52 1.72 3.32 -0.68 -1.31 116.42 121.62 3isf h ASP 50 Ca 0.27 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 3isf h ASP 50 Cb 0.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3isf h ASP 50 CO -0.10 0.55 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.23 3isf h GLU 51 N 0.93 0.00 -0.29 3.56 4.39 -0.73 -1.80 114.58 120.64 3isf h GLU 51 Ca 0.30 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.84 3isf h GLU 51 Cb 0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3isf h GLU 51 CO -0.08 0.41 -0.43 0.52 -1.16 0.00 0.00 179.01 178.27 3isf h MET 52 N 0.00 0.81 -0.73 2.33 2.86 -0.11 -0.56 114.93 119.54 3isf h MET 52 Ca -0.00 -0.48 -0.05 0.00 -2.06 0.00 0.00 59.70 57.11 3isf h MET 52 Cb 0.78 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 3isf h MET 52 CO 0.05 1.11 0.27 0.87 1.06 0.00 0.00 176.91 180.28 3isf h LYS 53 N 0.58 1.10 -0.46 1.72 1.57 -1.09 -1.22 116.57 118.76 3isf h LYS 53 Ca 0.03 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 3isf h LYS 53 Cb 1.03 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 3isf h LYS 53 CO 0.10 0.91 0.01 0.45 -0.57 0.00 0.00 179.45 180.36 3isf h HIS 54 N 1.05 0.87 -0.69 -1.35 3.86 -1.13 -2.27 115.15 115.49 3isf h HIS 54 Ca 0.24 -0.15 0.11 0.00 -1.16 0.00 0.00 60.37 59.41 3isf h HIS 54 Cb 0.24 -0.23 -0.08 0.00 1.06 0.00 0.00 27.41 28.40 3isf h HIS 54 CO 0.02 0.84 0.31 0.00 0.86 0.00 0.00 177.93 179.95 3isf h ALA 55 N 0.92 0.95 -0.18 2.45 0.00 -0.81 -1.54 119.26 121.05 3isf h ALA 55 Ca 0.13 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3isf h ALA 55 Cb 0.48 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3isf h ALA 55 CO 0.02 -0.13 0.10 0.22 0.00 0.00 0.00 179.25 179.46 3isf h ASP 56 N 0.51 0.16 -0.74 0.00 3.58 -0.98 0.29 116.42 119.23 3isf h ASP 56 Ca 0.35 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.85 3isf h ASP 56 Cb 0.44 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.41 3isf h ASP 56 CO -0.31 0.12 0.49 0.11 -2.88 0.00 0.00 179.24 176.76 3isf h LYS 57 N 0.21 0.82 -0.41 0.28 1.57 -1.09 -1.26 116.57 116.68 3isf h LYS 57 Ca 0.07 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 3isf h LYS 57 Cb -0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3isf h LYS 57 CO -0.04 0.54 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.00 3isf h LEU 58 N 0.84 0.96 -0.31 2.94 3.38 -0.65 -1.93 115.31 120.54 3isf h LEU 58 Ca 0.31 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3isf h LEU 58 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3isf h LEU 58 CO -0.10 1.19 0.14 0.40 0.09 0.00 0.00 178.44 180.17 3isf h ILE 59 N 0.77 1.16 -0.46 1.22 2.04 -0.43 -1.07 117.51 120.74 3isf h ILE 59 Ca 0.08 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3isf h ILE 59 Cb 0.89 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3isf h ILE 59 CO 0.08 0.17 0.31 -0.33 0.00 0.00 0.00 178.15 178.38 3isf h GLU 60 N 0.37 0.61 -0.20 2.37 5.08 -1.06 -1.48 114.58 120.28 3isf h GLU 60 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3isf h GLU 60 Cb 0.14 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3isf h GLU 60 CO -0.01 0.41 0.06 -0.09 -1.00 0.00 0.00 179.01 178.38 3isf h ARG 61 N 0.63 0.30 -0.79 2.33 9.65 -1.33 -0.77 114.38 124.40 3isf h ARG 61 Ca 0.17 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 59.00 3isf h ARG 61 Cb -0.07 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 3isf h ARG 61 CO -0.04 0.40 0.51 0.82 2.80 0.00 0.00 179.97 184.47 3isf h ILE 62 N 0.15 1.17 -0.51 1.20 2.04 -0.97 0.82 117.51 121.41 3isf h ILE 62 Ca 0.06 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 3isf h ILE 62 Cb 0.22 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3isf h ILE 62 CO -0.00 0.19 -0.05 -0.07 0.00 0.00 0.00 178.15 178.22 3isf h LEU 63 N 1.03 0.93 -1.20 1.44 4.07 -1.16 0.22 115.31 120.64 3isf h LEU 63 Ca 0.30 -0.33 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 3isf h LEU 63 Cb -0.07 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.39 3isf h LEU 63 CO -0.08 1.04 0.27 0.15 -1.08 0.00 0.00 178.44 178.74 3isf h PHE 64 N 0.80 0.82 0.00 1.13 3.57 -0.22 -1.68 116.94 121.37 3isf h PHE 64 Ca 0.14 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3isf h PHE 64 Cb 0.59 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3isf h PHE 64 CO 0.04 0.61 0.00 1.28 -2.23 0.00 0.00 178.31 178.02 3isf n LEU 65 N -4.35 0.00 0.00 0.59 4.77 0.20 -4.80 117.00 113.41 3isf n LEU 65 Ca 0.05 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3isf n LEU 65 Cb 0.14 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3isf n LEU 65 CO 0.38 -0.03 0.00 1.21 -1.33 0.00 0.00 177.39 177.62 3isf n GLU 66 N -1.18 0.00 -2.69 3.23 4.07 -0.53 -0.44 120.64 123.10 3isf n GLU 66 Ca 0.15 0.27 -0.22 0.00 -0.06 0.00 0.00 57.16 57.29 3isf n GLU 66 Cb 0.16 -2.89 0.09 0.00 -0.06 0.00 0.00 31.44 28.74 3isf n GLU 66 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3isf s GLY 67 N -2.53 1.77 -0.44 8.31 0.00 -0.05 -4.97 107.32 109.42 3isf s GLY 67 Ca 0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 44.72 42.83 3isf s GLY 67 CO 0.00 -1.25 0.34 1.08 0.00 0.00 0.00 173.10 173.27 3isf s LEU 68 N -4.97 5.32 0.29 0.66 1.43 -1.26 -4.34 118.68 115.80 3isf s LEU 68 Ca 0.64 -1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 3isf s LEU 68 Cb -0.06 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 43.90 3isf s LEU 68 CO 0.42 -0.53 1.28 -2.84 0.23 0.00 0.00 176.35 174.91 3isf s PRO 69 N 1.65 4.41 -0.58 1.29 0.02 -1.26 -4.93 135.00 135.60 3isf s PRO 69 Ca 0.04 2.12 -0.16 0.00 0.02 0.00 0.00 61.00 63.02 3isf s PRO 69 Cb -0.21 -3.12 0.14 0.00 0.02 0.00 0.00 34.50 31.33 3isf s PRO 69 CO 0.08 -0.15 0.54 1.21 -0.33 0.00 0.00 177.00 178.35 3isf s ASN 70 N -0.32 6.27 0.00 2.53 3.84 -1.26 -4.82 114.94 121.18 3isf s ASN 70 Ca 0.50 -1.92 0.20 0.00 0.21 0.00 0.00 52.86 51.86 3isf s ASN 70 Cb -0.38 -2.21 0.48 0.00 -0.55 0.00 0.00 41.25 38.59 3isf s ASN 70 CO 0.47 -0.82 1.40 0.18 -2.79 0.00 0.00 177.10 175.54 3isf n LEU 71 N 5.08 3.49 0.02 3.21 4.32 -1.26 -4.56 117.00 127.30 3isf n LEU 71 Ca -0.10 -1.79 -0.18 0.00 -0.02 0.00 0.00 56.01 53.93 3isf n LEU 71 Cb 0.41 -0.34 -0.14 0.00 -1.62 0.00 0.00 43.42 41.73 3isf n LEU 71 CO 0.51 0.83 -0.61 -0.61 -1.22 0.00 0.00 177.39 176.29 3isf h GLN 72 N 3.79 0.22 -5.03 3.23 5.75 -2.01 -3.45 115.11 117.61 3isf h GLN 72 Ca 0.00 -0.37 -0.65 0.00 -0.15 0.00 0.00 58.65 57.47 3isf h GLN 72 Cb 0.91 0.14 -0.16 0.00 1.07 0.00 0.00 27.48 29.44 3isf h GLN 72 CO 0.00 1.05 -0.25 -0.51 -2.65 0.00 0.00 178.83 176.47 3isf s ASP 73 N -6.85 6.21 -0.21 -0.69 1.01 -1.26 -5.01 116.67 109.87 3isf s ASP 73 Ca -0.15 -0.09 -0.04 0.00 0.71 0.00 0.00 52.55 52.98 3isf s ASP 73 Cb 0.07 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 3isf s ASP 73 CO 0.81 -0.32 -0.03 -0.22 0.21 0.00 0.00 175.17 175.62 3isf s LEU 74 N 2.08 3.03 0.00 1.23 2.96 -1.26 -4.93 118.68 121.78 3isf s LEU 74 Ca 0.13 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 3isf s LEU 74 Cb -0.16 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.76 3isf s LEU 74 CO 0.12 0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 3isf n GLY 75 N 4.53 -1.88 3.69 7.98 0.00 -1.26 -4.99 105.19 113.27 3isf n GLY 75 Ca -0.18 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 3isf n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3isf s LYS 76 N -2.72 4.41 0.06 1.61 2.47 -1.26 -4.92 119.74 119.39 3isf s LYS 76 Ca 0.00 1.29 -0.30 0.00 -1.56 0.00 0.00 55.97 55.40 3isf s LYS 76 Cb 0.00 -3.53 -0.05 0.00 -1.46 0.00 0.00 37.83 32.79 3isf s LYS 76 CO 0.00 -0.26 1.10 -0.51 0.16 0.00 0.00 175.35 175.84 3isf s LEU 77 N 1.84 4.39 -0.63 5.43 1.02 -1.26 -5.01 118.68 124.46 3isf s LEU 77 Ca 0.46 1.90 -0.16 0.00 0.02 0.00 0.00 54.13 56.34 3isf s LEU 77 Cb -0.18 -3.58 0.14 0.00 0.02 0.00 0.00 46.19 42.59 3isf s LEU 77 CO 0.18 -0.35 0.64 -0.76 0.02 0.00 0.00 176.35 176.07 3isf s LEU 78 N 0.81 6.07 -0.25 1.79 1.43 -1.26 -5.04 118.68 122.22 3isf s LEU 78 Ca 0.55 -1.91 -0.10 0.00 -1.03 0.00 0.00 54.13 51.64 3isf s LEU 78 Cb -0.26 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 3isf s LEU 78 CO 0.30 -0.87 0.15 -0.63 0.23 0.00 0.00 176.35 175.52 3isf s ILE 79 N 1.61 5.12 0.56 -0.59 -1.09 -1.26 -4.73 121.20 120.81 3isf s ILE 79 Ca 0.10 0.10 -0.06 0.00 -2.23 0.00 0.00 60.65 58.56 3isf s ILE 79 Cb -0.23 -3.40 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 3isf s ILE 79 CO 0.01 0.32 0.87 -0.83 -1.23 0.00 0.00 174.94 174.08 3isf s GLY 80 N 1.33 1.57 0.00 6.18 0.00 -1.26 -4.99 107.32 110.15 3isf s GLY 80 Ca 0.07 -0.60 0.17 0.00 0.00 0.00 0.00 44.72 44.35 3isf s GLY 80 CO 0.06 -0.36 0.96 1.18 0.00 0.00 0.00 173.10 174.94 3isf n GLU 81 N -2.49 1.54 -3.88 2.90 1.02 -1.26 -4.80 120.64 113.66 3isf n GLU 81 Ca 0.03 -1.17 -0.08 0.00 -0.02 0.00 0.00 57.16 55.92 3isf n GLU 81 Cb 0.57 -1.31 -0.02 0.00 -0.02 0.00 0.00 31.44 30.66 3isf n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3isf s ASN 82 N -1.70 -0.08 0.14 1.62 2.20 -1.26 -5.04 114.94 110.81 3isf s ASN 82 Ca 0.17 -0.87 -0.19 0.00 -0.94 0.00 0.00 52.86 51.03 3isf s ASN 82 Cb 0.14 0.73 0.01 0.00 -2.00 0.00 0.00 41.25 40.13 3isf s ASN 82 CO 0.32 -1.40 1.70 0.74 -2.94 0.00 0.00 177.10 175.51 3isf h THR 83 N 2.05 0.75 -0.69 0.54 2.02 -1.99 -0.03 112.91 115.56 3isf h THR 83 Ca -0.24 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3isf h THR 83 Cb 1.25 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3isf h THR 83 CO 0.31 0.00 0.45 1.56 0.37 0.00 0.00 175.52 178.21 3isf h GLN 84 N 0.00 0.92 -0.71 6.66 4.20 -2.00 -0.94 115.11 123.25 3isf h GLN 84 Ca 0.12 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 3isf h GLN 84 Cb 0.18 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3isf h GLN 84 CO -0.26 0.62 0.17 0.93 -0.67 0.00 0.00 178.83 179.62 3isf h GLU 85 N 0.94 1.13 -0.54 1.46 5.08 -1.85 -1.78 114.58 119.01 3isf h GLU 85 Ca 0.25 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3isf h GLU 85 Cb -0.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3isf h GLU 85 CO -0.05 0.99 0.14 0.52 -1.00 0.00 0.00 179.01 179.61 3isf h MET 86 N 1.07 0.86 -0.53 2.33 2.86 -0.39 0.23 114.93 121.35 3isf h MET 86 Ca 0.22 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 3isf h MET 86 Cb 0.37 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3isf h MET 86 CO 0.00 0.81 -0.02 -0.07 1.06 0.00 0.00 176.91 178.68 3isf h LEU 87 N 0.76 0.90 -0.31 1.22 3.38 -1.05 -1.37 115.31 118.83 3isf h LEU 87 Ca 0.17 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3isf h LEU 87 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3isf h LEU 87 CO 0.00 0.98 -0.13 -0.61 0.09 0.00 0.00 178.44 178.77 3isf h GLN 88 N 0.85 0.63 -0.89 1.13 5.75 -0.86 0.03 115.11 121.76 3isf h GLN 88 Ca 0.15 -0.27 0.08 0.00 -0.15 0.00 0.00 58.65 58.46 3isf h GLN 88 Cb 0.54 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.00 3isf h GLN 88 CO 0.03 0.85 0.55 0.00 -2.65 0.00 0.00 178.83 177.60 3isf h ASP 90 N 0.97 1.09 -0.25 0.00 3.32 -0.65 -1.45 116.42 119.44 3isf h ASP 90 Ca 0.40 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 3isf h ASP 90 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3isf h ASP 90 CO -0.20 0.99 -0.04 0.25 -1.72 0.00 0.00 179.24 178.51 3isf h LEU 91 N 1.13 0.47 -0.50 1.55 5.85 -0.41 -1.83 115.31 121.57 3isf h LEU 91 Ca 0.25 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3isf h LEU 91 Cb 0.27 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3isf h LEU 91 CO -0.01 0.71 0.21 0.78 -0.34 0.00 0.00 178.44 179.79 3isf h ASN 92 N 0.22 0.25 -0.45 1.25 2.35 -0.66 0.19 115.58 118.73 3isf h ASN 92 Ca 0.07 0.05 0.06 0.00 -0.55 0.00 0.00 56.30 55.93 3isf h ASN 92 Cb 0.50 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.83 3isf h ASN 92 CO 0.02 0.17 0.13 0.25 -1.65 0.00 0.00 177.43 176.36 3isf h LEU 93 N 0.41 0.10 -0.70 1.61 5.85 -1.06 -2.10 115.31 119.41 3isf h LEU 93 Ca 0.23 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.89 3isf h LEU 93 Cb 0.22 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3isf h LEU 93 CO -0.21 0.09 -0.44 -0.33 -0.34 0.00 0.00 178.44 177.21 3isf h GLU 94 N 0.28 0.48 -0.53 1.25 4.39 -0.39 0.88 114.58 120.95 3isf h GLU 94 Ca 0.22 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 3isf h GLU 94 Cb 0.24 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3isf h GLU 94 CO -0.25 0.83 0.04 -0.07 -1.16 0.00 0.00 179.01 178.40 3isf h LEU 95 N 0.39 0.83 -0.30 1.33 3.38 -0.84 -0.85 115.31 119.26 3isf h LEU 95 Ca 0.03 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3isf h LEU 95 Cb 0.92 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3isf h LEU 95 CO 0.08 0.87 -0.27 0.50 0.09 0.00 0.00 178.44 179.71 3isf h LYS 96 N 0.82 0.72 -1.00 1.13 1.63 -0.91 -3.02 116.57 115.93 3isf h LYS 96 Ca 0.16 -0.37 0.01 0.00 -0.85 0.00 0.00 60.65 59.61 3isf h LYS 96 Cb 0.43 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.02 3isf h LYS 96 CO 0.02 0.98 0.66 0.00 -3.45 0.00 0.00 179.45 177.66 3isf h ALA 97 N 0.72 1.29 -0.45 5.00 0.00 -0.39 -2.62 119.26 122.81 3isf h ALA 97 Ca 0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3isf h ALA 97 Cb 0.84 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3isf h ALA 97 CO 0.07 0.65 -0.18 1.15 0.00 0.00 0.00 179.25 180.94 3isf h THR 98 N 1.34 1.27 -0.78 0.00 2.02 -1.23 -0.80 112.91 114.75 3isf h THR 98 Ca 0.37 -1.33 0.02 0.00 0.77 0.00 0.00 66.41 66.25 3isf h THR 98 Cb -0.14 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3isf h THR 98 CO -0.08 0.45 0.50 0.50 0.37 0.00 0.00 175.52 177.26 3isf h LYS 99 N 0.76 0.97 -0.30 6.66 3.64 -1.39 -1.51 116.57 125.40 3isf h LYS 99 Ca 0.11 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 3isf h LYS 99 Cb 0.74 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3isf h LYS 99 CO 0.06 0.64 -0.28 -0.44 -2.27 0.00 0.00 179.45 177.16 3isf h ASP 100 N 1.00 0.61 -0.16 4.20 3.32 -1.10 -1.75 116.42 122.54 3isf h ASP 100 Ca 0.30 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3isf h ASP 100 Cb -0.04 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3isf h ASP 100 CO -0.09 0.86 0.06 -0.07 -1.72 0.00 0.00 179.24 178.28 3isf h LEU 101 N 0.52 0.22 -0.48 1.55 -0.00 -0.96 -0.37 115.31 115.80 3isf h LEU 101 Ca 0.07 -0.18 0.05 0.00 -0.00 0.00 0.00 57.88 57.83 3isf h LEU 101 Cb 0.74 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.30 3isf h LEU 101 CO 0.06 0.34 0.20 0.03 -0.00 0.00 0.00 178.44 179.07 3isf h ARG 102 N 0.09 0.39 -0.83 1.13 3.08 -0.91 -0.08 114.38 117.25 3isf h ARG 102 Ca 0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3isf h ARG 102 Cb 0.19 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3isf h ARG 102 CO -0.00 0.26 0.46 0.93 -1.07 0.00 0.00 179.97 180.54 3isf h GLU 103 N 0.40 1.15 -0.49 0.04 5.08 -1.18 -2.05 114.58 117.53 3isf h GLU 103 Ca 0.22 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3isf h GLU 103 Cb 0.18 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3isf h GLU 103 CO -0.19 0.84 -0.07 0.00 -1.00 0.00 0.00 179.01 178.59 3isf h ALA 104 N 1.24 0.94 -0.48 3.43 0.00 -0.51 -2.79 119.26 121.08 3isf h ALA 104 Ca 0.29 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3isf h ALA 104 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3isf h ALA 104 CO -0.05 0.63 0.03 0.82 0.00 0.00 0.00 179.25 180.68 3isf h ILE 105 N 0.80 1.26 -0.53 0.00 2.04 -0.38 -1.21 117.51 119.48 3isf h ILE 105 Ca 0.14 -1.00 0.11 0.00 1.00 0.00 0.00 64.86 65.10 3isf h ILE 105 Cb 0.58 0.97 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 3isf h ILE 105 CO 0.04 0.35 -0.06 0.58 0.00 0.00 0.00 178.15 179.06 3isf h VAL 106 N 0.69 0.52 -0.49 1.67 2.07 -1.25 0.03 116.25 119.48 3isf h VAL 106 Ca 0.14 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 3isf h VAL 106 Cb 0.46 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3isf h VAL 106 CO 0.02 0.01 -0.01 -0.74 0.02 0.00 0.00 177.57 176.87 3isf h HIS 107 N 0.06 0.96 -0.94 1.57 -0.00 -1.19 -2.14 115.15 113.46 3isf h HIS 107 Ca 0.27 -0.17 0.02 0.00 -0.00 0.00 0.00 60.37 60.49 3isf h HIS 107 Cb 0.41 -0.25 -0.05 0.00 -0.00 0.00 0.00 27.41 27.53 3isf h HIS 107 CO -0.38 0.90 0.62 0.00 -0.00 0.00 0.00 177.93 179.07 3isf h GLU 109 N 1.24 0.09 -0.80 0.00 4.57 -0.81 -0.01 114.58 118.86 3isf h GLU 109 Ca 0.36 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.58 3isf h GLU 109 Cb -0.08 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 3isf h GLU 109 CO -0.09 0.06 0.50 0.37 -1.18 0.00 0.00 179.01 178.67 3isf h GLN 110 N 0.10 0.93 -0.70 1.92 4.15 -0.87 -1.46 115.11 119.17 3isf h GLN 110 Ca 0.13 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3isf h GLN 110 Cb 0.17 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3isf h GLN 110 CO -0.22 0.61 0.00 1.33 -1.93 0.00 0.00 178.83 178.62 3isf n VAL 111 N -4.62 1.47 -1.81 2.39 0.24 -0.80 -4.93 118.33 110.27 3isf n VAL 111 Ca 0.10 -1.10 -0.12 0.00 -2.04 0.00 0.00 64.34 61.19 3isf n VAL 111 Cb 0.12 0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 32.75 3isf n VAL 111 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3isf n HIS 112 N 1.37 -0.30 -2.69 6.34 8.25 -0.36 -4.92 115.22 122.92 3isf n HIS 112 Ca 0.25 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.28 3isf n HIS 112 Cb 0.78 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.47 3isf n HIS 112 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3isf n ASP 113 N -0.05 5.08 0.16 0.41 -0.08 -0.16 -4.81 116.55 117.10 3isf n ASP 113 Ca -0.13 -2.99 0.03 0.00 -1.51 0.00 0.00 54.79 50.19 3isf n ASP 113 Cb 0.50 -1.58 0.18 0.00 2.34 0.00 0.00 41.12 42.56 3isf n ASP 113 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3isf h TYR 114 N 6.81 0.00 -0.40 -0.67 0.05 -1.91 -1.84 116.97 119.00 3isf h TYR 114 Ca 0.37 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.06 3isf h TYR 114 Cb 0.80 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 3isf h TYR 114 CO 1.20 0.48 -0.11 0.28 -1.05 0.00 0.00 178.16 178.96 3isf h VAL 115 N 0.00 1.28 -0.71 -2.88 2.07 -1.97 -1.55 116.25 112.49 3isf h VAL 115 Ca -0.00 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 3isf h VAL 115 Cb 1.15 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 3isf h VAL 115 CO 0.06 0.40 0.19 0.28 0.02 0.00 0.00 177.57 178.53 3isf h SER 116 N 0.59 1.05 -0.05 0.57 0.02 -1.95 -1.71 113.55 112.08 3isf h SER 116 Ca 0.10 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3isf h SER 116 Cb 0.64 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3isf h SER 116 CO 0.04 0.99 -0.09 -0.09 -1.14 0.00 0.00 176.83 176.55 3isf h ARG 117 N 1.06 -0.13 -0.69 3.45 2.43 -1.26 -0.81 114.38 118.43 3isf h ARG 117 Ca 0.23 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.48 3isf h ARG 117 Cb 0.34 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 3isf h ARG 117 CO -0.00 -0.08 0.37 0.22 -1.51 0.00 0.00 179.97 178.97 3isf h ASP 118 N -0.13 0.53 -0.35 -3.80 3.58 -0.96 0.34 116.42 115.62 3isf h ASP 118 Ca 0.05 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.56 3isf h ASP 118 Cb 0.20 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3isf h ASP 118 CO -0.13 0.32 0.21 0.25 -2.88 0.00 0.00 179.24 177.02 3isf h LEU 119 N 0.66 0.35 -0.73 2.28 6.46 -1.13 -2.04 115.31 121.16 3isf h LEU 119 Ca 0.32 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.95 3isf h LEU 119 Cb 0.26 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 3isf h LEU 119 CO -0.22 0.25 -0.50 -0.07 -0.62 0.00 0.00 178.44 177.28 3isf h LEU 120 N 0.43 0.37 -1.48 2.25 3.38 -0.12 -2.52 115.31 117.62 3isf h LEU 120 Ca 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3isf h LEU 120 Cb -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3isf h LEU 120 CO -0.06 0.81 -0.04 0.50 0.09 0.00 0.00 178.44 179.74 3isf h LYS 121 N 0.27 0.29 -0.22 1.13 3.64 -0.19 -0.11 116.57 121.38 3isf h LYS 121 Ca 0.01 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 3isf h LYS 121 Cb 0.98 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3isf h LYS 121 CO 0.08 0.35 -0.48 -0.44 -2.27 0.00 0.00 179.45 176.69 3isf h ASP 122 N 0.28 0.80 -0.56 4.20 3.32 -0.96 -1.70 116.42 121.80 3isf h ASP 122 Ca 0.06 -0.56 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 3isf h ASP 122 Cb 0.26 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3isf h ASP 122 CO 0.01 1.21 0.04 0.40 -1.72 0.00 0.00 179.24 179.18 3isf h ILE 123 N 0.42 1.26 -0.57 0.35 2.04 -1.28 -2.64 117.51 117.09 3isf h ILE 123 Ca 0.00 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.82 3isf h ILE 123 Cb 1.09 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3isf h ILE 123 CO 0.11 0.39 0.35 0.25 0.00 0.00 0.00 178.15 179.24 3isf h LEU 124 N 0.93 0.57 -0.28 1.44 5.85 -0.87 0.56 115.31 123.50 3isf h LEU 124 Ca 0.18 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3isf h LEU 124 Cb 0.48 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3isf h LEU 124 CO 0.02 0.40 0.15 -0.08 -0.34 0.00 0.00 178.44 178.59 3isf h GLU 125 N 0.69 0.30 -0.94 1.25 4.81 -1.07 0.16 114.58 119.78 3isf h GLU 125 Ca 0.23 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3isf h GLU 125 Cb 0.02 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 3isf h GLU 125 CO -0.10 0.20 0.61 0.77 -0.73 0.00 0.00 179.01 179.76 3isf h SER 126 N 0.31 0.97 0.04 1.04 0.02 -1.25 -0.85 113.55 113.83 3isf h SER 126 Ca 0.11 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 3isf h SER 126 Cb 0.02 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3isf h SER 126 CO -0.06 0.63 -0.56 -0.33 -1.14 0.00 0.00 176.83 175.37 3isf h GLU 127 N 1.10 0.55 -0.31 3.45 4.39 0.06 -2.08 114.58 121.74 3isf h GLU 127 Ca 0.40 -0.35 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 3isf h GLU 127 Cb 0.16 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3isf h GLU 127 CO -0.15 0.96 -0.31 0.93 -1.16 0.00 0.00 179.01 179.28 3isf h GLU 128 N 0.42 0.66 -0.23 2.33 5.08 -0.29 -0.70 114.58 121.85 3isf h GLU 128 Ca 0.01 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 3isf h GLU 128 Cb 1.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3isf h GLU 128 CO 0.10 0.89 -0.00 0.93 -1.00 0.00 0.00 179.01 179.93 3isf h GLU 129 N 0.56 0.33 -0.32 2.33 5.08 -1.05 -0.40 114.58 121.12 3isf h GLU 129 Ca 0.07 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3isf h GLU 129 Cb 0.81 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3isf h GLU 129 CO 0.07 0.37 -0.16 1.25 -1.00 0.00 0.00 179.01 179.53 3isf h HIS 130 N 0.33 0.78 -0.38 4.33 2.76 -0.59 -1.40 115.15 120.97 3isf h HIS 130 Ca 0.08 -0.19 0.05 0.00 -2.20 0.00 0.00 60.37 58.10 3isf h HIS 130 Cb 0.23 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.96 3isf h HIS 130 CO 0.01 0.89 0.10 0.82 -1.30 0.00 0.00 177.93 178.45 3isf h ILE 131 N 0.44 0.84 -0.44 6.26 2.04 -0.76 -0.05 117.51 125.83 3isf h ILE 131 Ca 0.07 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3isf h ILE 131 Cb 0.69 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3isf h ILE 131 CO 0.05 0.04 0.19 -0.78 0.00 0.00 0.00 178.15 177.65 3isf h ASP 132 N 0.24 0.23 -0.48 1.72 3.58 -0.89 0.39 116.42 121.21 3isf h ASP 132 Ca 0.18 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.71 3isf h ASP 132 Cb 0.19 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 3isf h ASP 132 CO -0.22 0.17 0.25 0.22 -2.88 0.00 0.00 179.24 176.79 3isf h TYR 133 N 0.38 0.47 0.28 0.28 3.20 -0.67 -0.71 116.97 120.20 3isf h TYR 133 Ca 0.20 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3isf h TYR 133 Cb 0.16 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3isf h TYR 133 CO -0.13 0.25 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.43 3isf h LEU 134 N 0.50 -0.32 -1.01 2.82 -0.00 -0.36 -0.48 115.31 116.47 3isf h LEU 134 Ca 0.20 -0.14 0.12 0.00 -0.00 0.00 0.00 57.88 58.07 3isf h LEU 134 Cb 0.09 0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 40.74 3isf h LEU 134 CO -0.13 -0.03 0.63 -0.33 -0.00 0.00 0.00 178.44 178.58 3isf h GLU 135 N -0.61 0.96 -0.58 1.13 5.08 -0.22 -1.63 114.58 118.71 3isf h GLU 135 Ca -0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3isf h GLU 135 Cb 0.44 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3isf h GLU 135 CO 0.06 0.63 0.24 1.15 -1.00 0.00 0.00 179.01 180.09 3isf h THR 136 N 0.98 1.22 -0.67 1.13 2.02 -0.91 -0.79 112.91 115.89 3isf h THR 136 Ca 0.50 -0.68 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 3isf h THR 136 Cb 0.51 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3isf h THR 136 CO -0.27 0.27 0.11 1.56 0.37 0.00 0.00 175.52 177.55 3isf h GLN 137 N 0.79 1.12 -0.41 6.66 1.08 -0.17 -0.09 115.11 124.09 3isf h GLN 137 Ca 0.19 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3isf h GLN 137 Cb 0.19 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 3isf h GLN 137 CO -0.02 1.02 0.26 -0.07 -0.95 0.00 0.00 178.83 179.07 3isf h LEU 138 N 1.04 0.48 -1.04 1.46 -0.00 -1.28 -1.14 115.31 114.83 3isf h LEU 138 Ca 0.20 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.04 3isf h LEU 138 Cb 0.44 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 40.94 3isf h LEU 138 CO 0.01 0.38 0.52 1.23 -0.00 0.00 0.00 178.44 180.58 3isf h GLY 139 N 0.55 1.26 1.75 0.83 0.00 -0.67 -2.77 103.07 104.00 3isf h GLY 139 Ca 0.15 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 3isf h GLY 139 CO -0.03 0.51 -0.40 1.41 0.00 0.00 0.00 176.54 178.03 3isf h LEU 140 N 1.19 0.30 -0.63 3.11 3.38 -0.51 -0.02 115.31 122.13 3isf h LEU 140 Ca 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3isf h LEU 140 Cb -0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3isf h LEU 140 CO -0.06 0.67 0.36 0.40 0.09 0.00 0.00 178.44 179.90 3isf h ILE 141 N 0.24 1.19 -0.31 1.22 2.04 -0.95 0.92 117.51 121.86 3isf h ILE 141 Ca 0.02 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3isf h ILE 141 Cb 0.81 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3isf h ILE 141 CO 0.06 0.21 0.10 1.56 0.00 0.00 0.00 178.15 180.08 3isf h GLN 142 N 0.85 0.48 -0.43 2.37 1.08 -1.21 -1.75 115.11 116.49 3isf h GLN 142 Ca 0.22 -0.10 -0.14 0.00 -1.45 0.00 0.00 58.65 57.18 3isf h GLN 142 Cb 0.01 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3isf h GLN 142 CO -0.04 0.52 -0.29 0.87 -0.95 0.00 0.00 178.83 178.95 3isf h LYS 143 N 0.35 0.96 0.00 1.46 1.57 -0.65 -3.34 116.57 116.91 3isf h LYS 143 Ca 0.10 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3isf h LYS 143 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3isf h LYS 143 CO -0.00 1.12 -0.98 1.33 -0.57 0.00 0.00 179.45 180.34 3isf n VAL 144 N -4.11 0.00 0.00 0.50 0.24 0.29 -5.08 118.33 110.17 3isf n VAL 144 Ca -0.01 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3isf n VAL 144 Cb 0.49 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 3isf n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3isf n GLY 145 N 1.43 1.63 0.15 7.63 0.00 -0.66 -4.43 105.19 110.93 3isf n GLY 145 Ca 0.01 -1.64 -0.06 0.00 0.00 0.00 0.00 46.02 44.34 3isf n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3isf h LEU 146 N 0.00 -0.08 -1.04 0.99 5.85 -1.91 -2.08 115.31 117.04 3isf h LEU 146 Ca 0.00 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3isf h LEU 146 Cb 0.00 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3isf h LEU 146 CO 0.00 -0.01 0.27 -0.33 -0.34 0.00 0.00 178.44 178.03 3isf h GLU 147 N 0.13 0.95 -0.35 1.25 5.08 -1.94 -0.65 114.58 119.05 3isf h GLU 147 Ca 0.16 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3isf h GLU 147 Cb 0.21 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3isf h GLU 147 CO -0.25 0.77 0.13 -0.91 -1.00 0.00 0.00 179.01 177.75 3isf h ASN 148 N 0.94 0.50 -0.11 1.42 2.35 -1.73 0.22 115.58 119.16 3isf h ASN 148 Ca 0.22 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3isf h ASN 148 Cb 0.17 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3isf h ASN 148 CO -0.02 0.55 0.05 0.22 -1.65 0.00 0.00 177.43 176.58 3isf h TYR 149 N 0.42 0.17 -0.60 1.19 3.20 -1.14 0.55 116.97 120.76 3isf h TYR 149 Ca 0.12 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3isf h TYR 149 Cb 0.21 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3isf h TYR 149 CO 0.00 0.23 0.13 -0.07 -1.64 0.00 0.00 178.16 176.81 3isf h LEU 150 N 0.05 0.90 -0.79 2.82 3.38 -1.14 -2.86 115.31 117.67 3isf h LEU 150 Ca 0.04 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3isf h LEU 150 Cb 0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3isf h LEU 150 CO -0.00 0.88 0.49 -0.61 0.09 0.00 0.00 178.44 179.29 3isf h GLN 151 N 0.91 0.92 0.00 1.13 4.15 0.00 -1.57 115.11 120.65 3isf h GLN 151 Ca 0.19 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3isf h GLN 151 Cb 0.35 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3isf h GLN 151 CO 0.00 0.61 0.00 0.43 -1.93 0.00 0.00 178.83 177.94 3isf n SER 152 N -4.62 0.00 -0.04 -0.69 7.64 0.10 -2.30 113.62 113.71 3isf n SER 152 Ca 0.10 0.32 0.05 0.00 1.01 0.00 0.00 58.87 60.34 3isf n SER 152 Cb 0.11 -0.40 0.07 0.00 -1.01 0.00 0.00 64.21 62.99 3isf n SER 152 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3isf n HIS 153 N -1.40 0.00 0.01 1.43 8.25 -0.60 -4.74 115.22 118.17 3isf n HIS 153 Ca 0.04 -0.74 -0.13 0.00 -0.26 0.00 0.00 57.72 56.63 3isf n HIS 153 Cb 0.11 -0.10 -0.10 0.00 1.12 0.00 0.00 29.99 31.03 3isf n HIS 153 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3isf h MET 154 N 0.00 -0.08 -5.65 -0.41 2.07 -1.30 -1.95 114.93 107.61 3isf h MET 154 Ca 0.00 0.01 -0.64 0.00 -2.07 0.00 0.00 59.70 56.99 3isf h MET 154 Cb 0.76 0.02 -0.08 0.00 -1.87 0.00 0.00 31.60 30.43 3isf h MET 154 CO 0.00 0.42 -0.42 -1.01 1.07 0.00 0.00 176.91 176.98 3isf s HIS 155 N -3.95 3.59 -1.60 -0.22 3.76 -1.26 -1.74 115.29 113.86 3isf s HIS 155 Ca -0.15 0.60 0.00 0.00 -0.15 0.00 0.00 55.06 55.35 3isf s HIS 155 Cb 0.01 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.63 3isf s HIS 155 CO 0.62 0.62 0.40 0.39 -0.85 0.00 0.00 174.74 175.92