#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ise s GLY 3 N 0.00 1.72 0.02 3.14 0.00 -1.04 -5.05 107.32 106.12 3ise s GLY 3 Ca 0.00 -1.21 -0.39 0.00 0.00 0.00 0.00 44.72 43.12 3ise s GLY 3 CO 0.00 -1.22 1.16 1.34 0.00 0.00 0.00 173.10 174.38 3ise n ASP 4 N -0.31 0.54 0.17 1.64 2.03 -1.26 -4.87 116.55 114.49 3ise n ASP 4 Ca -0.08 1.15 0.05 0.00 0.52 0.00 0.00 54.79 56.43 3ise n ASP 4 Cb 0.55 -1.01 0.51 0.00 -0.72 0.00 0.00 41.12 40.44 3ise n ASP 4 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3ise h LYS 5 N 3.53 0.16 -0.05 -0.67 1.57 -1.98 -2.54 116.57 116.59 3ise h LYS 5 Ca -0.50 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.06 3ise h LYS 5 Cb 1.40 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 3ise h LYS 5 CO 0.69 0.20 -0.80 0.87 -0.57 0.00 0.00 179.45 179.84 3ise h LYS 6 N 0.16 0.41 -0.75 3.15 6.56 -1.98 -1.41 116.57 122.69 3ise h LYS 6 Ca 0.04 -0.37 -0.02 0.00 -1.06 0.00 0.00 60.65 59.25 3ise h LYS 6 Cb 0.15 0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 31.86 3ise h LYS 6 CO 0.00 1.02 0.41 0.28 -2.06 0.00 0.00 179.45 179.10 3ise h VAL 7 N 0.26 1.23 -0.24 0.50 2.07 -1.85 0.12 116.25 118.34 3ise h VAL 7 Ca -0.05 -0.58 -0.17 0.00 0.82 0.00 0.00 66.70 66.73 3ise h VAL 7 Cb 1.40 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3ise h VAL 7 CO 0.14 0.25 -0.54 0.40 0.02 0.00 0.00 177.57 177.84 3ise h ILE 8 N 1.04 1.30 -0.72 4.57 2.04 -1.41 -0.37 117.51 123.96 3ise h ILE 8 Ca 0.27 -1.76 0.05 0.00 1.00 0.00 0.00 64.86 64.42 3ise h ILE 8 Cb 0.04 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 3ise h ILE 8 CO -0.04 0.56 0.42 1.56 0.00 0.00 0.00 178.15 180.65 3ise h GLN 9 N 0.55 0.76 -0.38 2.37 4.20 -0.97 -0.79 115.11 120.85 3ise h GLN 9 Ca 0.01 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 3ise h GLN 9 Cb 1.12 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 3ise h GLN 9 CO 0.11 0.50 -0.22 0.45 -0.67 0.00 0.00 178.83 179.01 3ise h HIS 10 N 0.78 0.85 -0.07 2.96 3.86 -0.38 -1.89 115.15 121.27 3ise h HIS 10 Ca 0.31 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 3ise h HIS 10 Cb 0.15 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 3ise h HIS 10 CO -0.06 0.90 -0.09 -0.07 0.86 0.00 0.00 177.93 179.47 3ise h LEU 11 N 0.66 0.20 -2.64 2.43 3.38 -0.73 -0.92 115.31 117.68 3ise h LEU 11 Ca 0.09 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.56 3ise h LEU 11 Cb 0.72 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3ise h LEU 11 CO 0.06 0.67 0.04 0.78 0.09 0.00 0.00 178.44 180.07 3ise h ASN 12 N -0.27 0.00 0.16 -0.43 2.35 -1.13 0.29 115.58 116.55 3ise h ASN 12 Ca 0.01 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.51 3ise h ASN 12 Cb 0.62 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.01 3ise h ASN 12 CO 0.02 0.00 -1.14 0.50 -1.65 0.00 0.00 177.43 175.16 3ise h LYS 13 N 0.00 0.34 -0.37 0.81 3.64 -0.78 -2.06 116.57 118.15 3ise h LYS 13 Ca 0.01 -0.58 0.01 0.00 -1.27 0.00 0.00 60.65 58.82 3ise h LYS 13 Cb 0.08 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3ise h LYS 13 CO -0.00 1.28 0.23 0.82 -2.27 0.00 0.00 179.45 179.51 3ise h ILE 14 N -0.23 1.06 -0.23 2.00 1.08 -0.04 -1.69 117.51 119.46 3ise h ILE 14 Ca -0.21 -0.16 0.07 0.00 -0.39 0.00 0.00 64.86 64.16 3ise h ILE 14 Cb 1.80 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 3ise h ILE 14 CO 0.15 0.08 0.17 0.25 -0.69 0.00 0.00 178.15 178.12 3ise h LEU 15 N 0.47 0.00 -0.30 1.44 5.85 -0.54 -0.01 115.31 122.22 3ise h LEU 15 Ca 0.14 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3ise h LEU 15 Cb -0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3ise h LEU 15 CO -0.05 0.00 -0.19 1.23 -0.34 0.00 0.00 178.44 179.09 3ise h GLY 16 N 0.00 0.72 1.03 3.75 0.00 -0.57 -1.31 103.07 106.69 3ise h GLY 16 Ca 0.11 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 3ise h GLY 16 CO -0.00 0.62 0.13 3.43 0.00 0.00 0.00 176.54 180.72 3ise h ASN 17 N 0.42 0.94 -0.63 0.19 2.35 -0.54 -2.47 115.58 115.85 3ise h ASN 17 Ca 0.06 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 3ise h ASN 17 Cb 0.73 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 3ise h ASN 17 CO 0.05 0.94 0.20 -0.33 -1.65 0.00 0.00 177.43 176.65 3ise h GLU 18 N 0.90 0.98 -0.46 0.81 4.39 -0.97 0.15 114.58 120.37 3ise h GLU 18 Ca 0.19 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.71 3ise h GLU 18 Cb 0.38 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3ise h GLU 18 CO 0.01 0.86 0.25 -0.07 -1.16 0.00 0.00 179.01 178.89 3ise h LEU 19 N 0.90 0.38 -0.55 1.33 3.38 -1.15 0.18 115.31 119.78 3ise h LEU 19 Ca 0.20 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.26 3ise h LEU 19 Cb 0.28 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3ise h LEU 19 CO -0.01 0.27 0.24 0.40 0.09 0.00 0.00 178.44 179.43 3ise h ILE 20 N 0.50 0.86 -0.59 1.22 2.04 -1.09 -2.99 117.51 117.46 3ise h ILE 20 Ca 0.19 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 3ise h ILE 20 Cb 0.07 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3ise h ILE 20 CO -0.12 0.08 0.16 0.00 0.00 0.00 0.00 178.15 178.28 3ise h ALA 21 N 1.34 0.77 -0.17 1.87 0.00 0.00 -2.12 119.26 120.96 3ise h ALA 21 Ca 0.26 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ise h ALA 21 Cb 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 3ise h ALA 21 CO -0.23 0.46 -0.46 0.82 0.00 0.00 0.00 179.25 179.84 3ise h ILE 22 N 0.84 0.10 -0.22 0.00 2.04 -0.58 -0.81 117.51 118.88 3ise h ILE 22 Ca 0.19 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.89 3ise h ILE 22 Cb 0.32 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3ise h ILE 22 CO -0.00 0.00 -0.50 0.78 0.00 0.00 0.00 178.15 178.42 3ise h ASN 23 N -0.50 0.68 -0.38 1.72 4.21 -1.46 -2.03 115.58 117.83 3ise h ASN 23 Ca 0.07 -0.35 -0.03 0.00 1.21 0.00 0.00 56.30 57.21 3ise h ASN 23 Cb 0.64 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.63 3ise h ASN 23 CO -0.43 1.06 0.12 -0.61 -1.29 0.00 0.00 177.43 176.28 3ise h GLN 24 N 0.49 0.58 -0.26 0.81 4.15 -1.19 -0.63 115.11 119.05 3ise h GLN 24 Ca 0.02 -0.12 -0.16 0.00 0.77 0.00 0.00 58.65 59.16 3ise h GLN 24 Cb 1.05 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 3ise h GLN 24 CO 0.10 0.59 -0.48 1.88 -1.93 0.00 0.00 178.83 178.99 3ise h TYR 25 N 0.46 0.85 -0.57 3.99 0.05 -1.16 -0.61 116.97 119.99 3ise h TYR 25 Ca 0.12 -0.28 -0.10 0.00 0.05 0.00 0.00 58.73 58.53 3ise h TYR 25 Cb 0.24 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 3ise h TYR 25 CO 0.01 1.04 -0.03 0.35 -1.05 0.00 0.00 178.16 178.48 3ise h PHE 26 N 0.55 1.11 0.16 4.88 3.04 -1.22 0.38 116.94 125.85 3ise h PHE 26 Ca 0.03 -0.20 -0.01 0.00 3.98 0.00 0.00 57.97 61.77 3ise h PHE 26 Cb 1.03 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.26 3ise h PHE 26 CO 0.05 1.01 -0.08 1.25 -2.02 0.00 0.00 178.31 178.52 3ise h LEU 27 N 0.90 -0.18 -0.86 0.59 5.85 -1.09 -2.17 115.31 118.35 3ise h LEU 27 Ca 0.16 -0.20 0.15 0.00 0.84 0.00 0.00 57.88 58.83 3ise h LEU 27 Cb 0.58 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.56 3ise h LEU 27 CO 0.03 0.11 0.45 0.45 -0.34 0.00 0.00 178.44 179.14 3ise h HIS 28 N -0.47 0.78 0.09 1.25 3.86 -0.92 0.20 115.15 119.94 3ise h HIS 28 Ca -0.02 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3ise h HIS 28 Cb 0.37 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 3ise h HIS 28 CO 0.01 0.18 -0.22 1.03 0.86 0.00 0.00 177.93 179.79 3ise h SER 29 N 0.63 -0.63 0.47 2.45 0.87 -0.02 -0.35 113.55 116.97 3ise h SER 29 Ca 0.47 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 61.09 3ise h SER 29 Cb 0.68 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 3ise h SER 29 CO -0.37 -0.30 -0.09 0.03 -0.53 0.00 0.00 176.83 175.57 3ise h ARG 30 N -0.40 0.00 -0.17 2.24 -0.00 -0.74 -0.95 114.38 114.36 3ise h ARG 30 Ca 0.03 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.46 3ise h ARG 30 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.40 3ise h ARG 30 CO -0.14 0.09 -0.10 0.52 0.00 0.00 0.00 179.97 180.33 3ise h MET 31 N 0.00 0.37 -0.53 0.04 2.86 0.06 -1.93 114.93 115.80 3ise h MET 31 Ca -0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3ise h MET 31 Cb 0.35 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3ise h MET 31 CO 0.01 0.69 0.33 -1.49 1.06 0.00 0.00 176.91 177.52 3ise h TRP 32 N 0.04 0.68 -0.23 -0.22 6.55 -0.62 -1.55 115.95 120.60 3ise h TRP 32 Ca 0.04 0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.87 3ise h TRP 32 Cb 0.60 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 28.66 3ise h TRP 32 CO 0.07 0.45 0.09 -0.91 -1.05 0.00 0.00 178.44 177.09 3ise h ASN 33 N 0.71 0.32 -1.04 -3.49 -0.26 -1.26 -0.18 115.58 110.39 3ise h ASN 33 Ca 0.19 -0.17 0.27 0.00 -0.56 0.00 0.00 56.30 56.03 3ise h ASN 33 Cb -0.05 -0.08 -0.10 0.00 -1.06 0.00 0.00 38.32 37.02 3ise h ASN 33 CO -0.04 0.41 0.65 -0.78 -1.06 0.00 0.00 177.43 176.61 3ise h ASP 34 N 0.22 0.51 0.70 5.81 3.58 -1.21 0.81 116.42 126.84 3ise h ASP 34 Ca 0.08 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.63 3ise h ASP 34 Cb 0.19 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.26 3ise h ASP 34 CO -0.01 0.08 -0.19 0.79 -2.88 0.00 0.00 179.24 177.03 3ise n TRP 35 N -4.71 0.00 -0.74 0.28 8.01 -0.59 -4.91 117.44 114.77 3ise n TRP 35 Ca 0.26 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.45 3ise n TRP 35 Cb 0.86 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.81 3ise n TRP 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ise n GLY 36 N 1.45 0.55 2.75 6.99 0.00 0.28 -4.94 105.19 112.28 3ise n GLY 36 Ca 0.08 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3ise n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ise n LEU 37 N 0.00 7.12 0.17 0.99 4.77 -0.27 -4.51 117.00 125.28 3ise n LEU 37 Ca 0.00 -5.13 0.02 0.00 -0.03 0.00 0.00 56.01 50.88 3ise n LEU 37 Cb 0.00 -1.28 0.37 0.00 -2.33 0.00 0.00 43.42 40.18 3ise n LEU 37 CO 0.00 1.85 0.77 0.11 -1.33 0.00 0.00 177.39 178.79 3ise h LYS 38 N 4.88 0.06 -0.61 3.23 1.57 -0.97 -1.32 116.57 123.41 3ise h LYS 38 Ca 0.45 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.14 3ise h LYS 38 Cb 0.45 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3ise h LYS 38 CO 1.36 0.37 0.11 -0.09 -0.57 0.00 0.00 179.45 180.62 3ise h ARG 39 N 0.06 1.00 -0.07 3.15 2.43 -1.44 -0.87 114.38 118.64 3ise h ARG 39 Ca 0.01 -0.26 -0.14 0.00 -0.81 0.00 0.00 59.98 58.77 3ise h ARG 39 Cb 0.57 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3ise h ARG 39 CO 0.04 0.94 -0.58 -0.07 -1.51 0.00 0.00 179.97 178.78 3ise h LEU 40 N 0.91 0.24 -0.53 3.80 3.38 -1.49 -2.65 115.31 118.98 3ise h LEU 40 Ca 0.19 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ise h LEU 40 Cb 0.41 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3ise h LEU 40 CO 0.01 0.77 0.28 1.23 0.09 0.00 0.00 178.44 180.82 3ise h GLY 41 N 1.48 0.74 1.54 0.83 0.00 -0.30 -1.86 103.07 105.50 3ise h GLY 41 Ca -0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 47.33 46.91 3ise h GLY 41 CO 0.09 0.14 -0.88 0.00 0.00 0.00 0.00 176.54 175.88 3ise h ALA 42 N 1.27 0.42 -0.36 3.60 0.00 -1.18 -1.18 119.26 121.84 3ise h ALA 42 Ca 0.23 -0.68 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 3ise h ALA 42 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ise h ALA 42 CO -0.14 0.80 -0.33 1.25 0.00 0.00 0.00 179.25 180.82 3ise h HIS 43 N 0.26 0.93 0.00 0.00 6.17 -1.30 -2.57 115.15 118.64 3ise h HIS 43 Ca -0.07 -0.25 -0.20 0.00 0.71 0.00 0.00 60.37 60.55 3ise h HIS 43 Cb 1.50 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 31.20 3ise h HIS 43 CO 0.06 1.02 -0.98 1.49 0.71 0.00 0.00 177.93 180.23 3ise h GLU 44 N 0.67 0.00 -0.51 5.26 4.57 -1.29 -1.69 114.58 121.59 3ise h GLU 44 Ca 0.07 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3ise h GLU 44 Cb 0.88 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 3ise h GLU 44 CO 0.08 0.98 0.31 -0.92 -1.18 0.00 0.00 179.01 178.28 3ise h TYR 45 N 0.00 0.59 -0.78 0.92 3.20 -1.20 -1.74 116.97 117.96 3ise h TYR 45 Ca -0.01 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3ise h TYR 45 Cb 1.73 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.77 3ise h TYR 45 CO 0.00 0.34 0.37 0.45 -1.64 0.00 0.00 178.16 177.69 3ise h HIS 46 N 0.63 1.13 -0.97 -3.82 3.86 -1.12 -1.57 115.15 113.29 3ise h HIS 46 Ca 0.20 -0.06 0.06 0.00 -1.16 0.00 0.00 60.37 59.41 3ise h HIS 46 Cb -0.00 -0.35 -0.06 0.00 1.06 0.00 0.00 27.41 28.06 3ise h HIS 46 CO -0.06 0.83 0.63 0.93 0.86 0.00 0.00 177.93 181.11 3ise h GLU 47 N 1.10 1.11 -0.12 2.45 4.39 -1.19 -1.46 114.58 120.86 3ise h GLU 47 Ca 0.27 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 3ise h GLU 47 Cb 0.12 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3ise h GLU 47 CO -0.03 0.74 0.03 1.03 -1.16 0.00 0.00 179.01 179.61 3ise h SER 48 N 1.15 0.19 -0.61 1.42 0.87 -0.55 -2.77 113.55 113.25 3ise h SER 48 Ca 0.41 -0.23 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 3ise h SER 48 Cb 0.13 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 3ise h SER 48 CO -0.15 0.37 0.27 0.40 -0.53 0.00 0.00 176.83 177.19 3ise h ILE 49 N -0.00 0.84 -0.98 2.23 1.08 -0.93 -2.14 117.51 117.61 3ise h ILE 49 Ca 0.04 -0.17 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 3ise h ILE 49 Cb 0.25 0.31 -0.07 0.00 -3.07 0.00 0.00 36.82 34.24 3ise h ILE 49 CO 0.00 0.09 0.63 0.44 -0.69 0.00 0.00 178.15 178.62 3ise h ASP 50 N 0.49 1.00 0.15 1.72 3.32 -1.04 -0.59 116.42 121.46 3ise h ASP 50 Ca 0.30 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 3ise h ASP 50 Cb 0.31 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3ise h ASP 50 CO -0.26 0.63 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.16 3ise h GLU 51 N 1.12 0.33 0.00 3.56 4.39 -1.14 -0.22 114.58 122.63 3ise h GLU 51 Ca 0.43 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 3ise h GLU 51 Cb 0.21 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3ise h GLU 51 CO -0.17 0.68 -0.06 0.52 -1.16 0.00 0.00 179.01 178.81 3ise h MET 52 N 0.28 0.00 0.14 2.33 2.86 -0.59 -0.53 114.93 119.41 3ise h MET 52 Ca 0.03 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.37 3ise h MET 52 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3ise h MET 52 CO 0.07 0.06 -1.39 0.87 1.06 0.00 0.00 176.91 177.58 3ise h LYS 53 N 0.00 0.29 -0.69 1.72 1.57 -0.51 -1.74 116.57 117.22 3ise h LYS 53 Ca -0.00 -0.50 -0.06 0.00 -1.87 0.00 0.00 60.65 58.22 3ise h LYS 53 Cb 0.11 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3ise h LYS 53 CO 0.01 1.21 0.21 0.45 -0.57 0.00 0.00 179.45 180.75 3ise h HIS 54 N 0.08 1.10 -0.27 -1.35 3.86 -0.74 -2.46 115.15 115.37 3ise h HIS 54 Ca -0.19 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 58.85 3ise h HIS 54 Cb 2.01 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 30.16 3ise h HIS 54 CO 0.07 0.87 -0.09 0.00 0.86 0.00 0.00 177.93 179.65 3ise h ALA 55 N 1.20 0.37 -0.70 2.45 0.00 -1.12 -2.25 119.26 119.22 3ise h ALA 55 Ca 0.22 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.96 3ise h ALA 55 Cb 0.30 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 3ise h ALA 55 CO -0.01 0.21 0.29 0.22 0.00 0.00 0.00 179.25 179.96 3ise h ASP 56 N 0.28 0.31 -0.41 0.00 3.58 -1.23 -0.71 116.42 118.25 3ise h ASP 56 Ca 0.07 0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.49 3ise h ASP 56 Cb 0.58 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 3ise h ASP 56 CO 0.03 0.16 -0.14 0.11 -2.88 0.00 0.00 179.24 176.52 3ise h LYS 57 N 0.47 0.88 -0.34 0.28 1.57 -1.18 -2.18 116.57 116.08 3ise h LYS 57 Ca 0.36 -0.32 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 3ise h LYS 57 Cb 0.48 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3ise h LYS 57 CO -0.34 0.96 -0.45 -0.07 -0.57 0.00 0.00 179.45 178.98 3ise h LEU 58 N 0.79 0.98 -0.68 2.94 3.38 -0.95 -2.06 115.31 119.71 3ise h LEU 58 Ca 0.12 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.66 3ise h LEU 58 Cb 0.66 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3ise h LEU 58 CO 0.05 1.28 0.37 0.40 0.09 0.00 0.00 178.44 180.63 3ise h ILE 59 N 0.70 0.95 -0.53 1.22 2.04 -0.81 -1.02 117.51 120.06 3ise h ILE 59 Ca 0.04 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 3ise h ILE 59 Cb 1.06 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3ise h ILE 59 CO 0.11 0.12 0.03 -0.33 0.00 0.00 0.00 178.15 178.08 3ise h GLU 60 N 0.67 0.91 0.05 2.37 5.08 -1.19 -2.43 114.58 120.05 3ise h GLU 60 Ca 0.31 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ise h GLU 60 Cb 0.22 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ise h GLU 60 CO -0.20 0.91 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.61 3ise h ARG 61 N 0.78 -0.07 -0.78 2.33 9.65 -0.93 -1.55 114.38 123.81 3ise h ARG 61 Ca 0.15 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.11 3ise h ARG 61 Cb 0.48 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.02 3ise h ARG 61 CO 0.02 0.03 0.46 0.82 2.80 0.00 0.00 179.97 184.10 3ise h ILE 62 N -0.16 0.98 -0.48 1.20 2.04 -1.09 0.20 117.51 120.20 3ise h ILE 62 Ca -0.01 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 3ise h ILE 62 Cb 0.13 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 3ise h ILE 62 CO 0.01 0.15 -0.00 -0.07 0.00 0.00 0.00 178.15 178.24 3ise h LEU 63 N 0.82 0.84 -0.63 1.44 4.07 -1.35 0.20 115.31 120.70 3ise h LEU 63 Ca 0.36 -0.31 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 3ise h LEU 63 Cb 0.23 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 3ise h LEU 63 CO -0.20 0.94 0.20 0.15 -1.08 0.00 0.00 178.44 178.46 3ise h PHE 64 N 0.71 1.00 0.00 1.13 3.57 -0.31 -0.77 116.94 122.27 3ise h PHE 64 Ca 0.14 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3ise h PHE 64 Cb 0.51 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3ise h PHE 64 CO 0.04 0.82 0.00 1.28 -2.23 0.00 0.00 178.31 178.22 3ise n LEU 65 N -4.38 0.00 -2.53 0.59 4.77 -0.03 -4.78 117.00 110.64 3ise n LEU 65 Ca 0.04 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.83 3ise n LEU 65 Cb 0.21 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3ise n LEU 65 CO 0.40 0.00 -0.01 -0.62 -1.33 0.00 0.00 177.39 175.83 3ise n GLU 66 N -0.77 -3.99 -2.84 3.23 1.02 -0.30 -2.51 120.64 114.48 3ise n GLU 66 Ca 0.08 0.77 -0.21 0.00 -0.02 0.00 0.00 57.16 57.78 3ise n GLU 66 Cb 0.04 -5.32 0.07 0.00 -0.02 0.00 0.00 31.44 26.21 3ise n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ise s GLY 67 N -2.73 1.76 -0.34 0.62 0.00 0.64 -4.95 107.32 102.33 3ise s GLY 67 Ca 0.24 -1.91 -0.07 0.00 0.00 0.00 0.00 44.72 42.98 3ise s GLY 67 CO 0.30 -1.44 0.11 1.08 0.00 0.00 0.00 173.10 173.15 3ise s LEU 68 N -4.83 4.30 0.26 0.66 1.43 -1.26 -4.27 118.68 114.98 3ise s LEU 68 Ca 0.63 -1.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.34 3ise s LEU 68 Cb -0.06 -1.88 -0.11 0.00 0.03 0.00 0.00 46.19 44.17 3ise s LEU 68 CO 0.41 -0.32 1.59 -2.84 0.23 0.00 0.00 176.35 175.42 3ise s PRO 69 N 1.42 4.15 -0.59 1.29 0.02 -1.26 -4.97 135.00 135.06 3ise s PRO 69 Ca -0.01 2.53 -0.13 0.00 0.02 0.00 0.00 61.00 63.40 3ise s PRO 69 Cb -0.19 -3.05 0.15 0.00 0.02 0.00 0.00 34.50 31.42 3ise s PRO 69 CO 0.03 -0.62 0.52 1.21 -0.33 0.00 0.00 177.00 177.81 3ise s ASN 70 N 0.64 6.15 0.00 2.53 2.47 -1.26 -4.83 114.94 120.63 3ise s ASN 70 Ca 0.65 -2.09 0.22 0.00 0.42 0.00 0.00 52.86 52.06 3ise s ASN 70 Cb -0.47 -2.14 0.52 0.00 -1.45 0.00 0.00 41.25 37.71 3ise s ASN 70 CO 0.43 -0.73 1.45 0.18 -3.72 0.00 0.00 177.10 174.71 3ise n LEU 71 N 4.77 3.18 -0.01 3.21 4.32 -1.26 -4.53 117.00 126.69 3ise n LEU 71 Ca -0.05 -1.43 -0.19 0.00 -0.02 0.00 0.00 56.01 54.32 3ise n LEU 71 Cb 0.42 -0.28 -0.14 0.00 -1.62 0.00 0.00 43.42 41.80 3ise n LEU 71 CO 0.45 0.72 -0.08 -0.61 -1.22 0.00 0.00 177.39 176.65 3ise h GLN 72 N 3.93 0.17 -5.94 3.23 5.75 -2.02 -3.45 115.11 116.78 3ise h GLN 72 Ca 0.00 -0.30 -0.58 0.00 -0.15 0.00 0.00 58.65 57.62 3ise h GLN 72 Cb 0.87 0.11 -0.07 0.00 1.07 0.00 0.00 27.48 29.47 3ise h GLN 72 CO 0.00 1.14 0.37 -0.51 -2.65 0.00 0.00 178.83 177.18 3ise s ASP 73 N -6.79 6.95 -0.23 -0.69 1.01 -1.26 -5.03 116.67 110.63 3ise s ASP 73 Ca -0.19 1.17 0.01 0.00 0.71 0.00 0.00 52.55 54.25 3ise s ASP 73 Cb 0.02 -2.45 0.04 0.00 1.01 0.00 0.00 42.92 41.53 3ise s ASP 73 CO 0.75 -0.38 -0.12 -0.22 0.21 0.00 0.00 175.17 175.40 3ise s LEU 74 N 2.08 2.95 0.00 1.23 2.96 -1.26 -4.93 118.68 121.71 3ise s LEU 74 Ca 0.38 -1.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.28 3ise s LEU 74 Cb -0.17 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 44.96 3ise s LEU 74 CO 0.13 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.66 3ise n GLY 75 N 4.56 -3.13 3.62 7.98 0.00 -1.26 -4.93 105.19 112.03 3ise n GLY 75 Ca -0.17 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3ise n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ise s LYS 76 N -2.04 4.05 0.26 1.61 2.47 -1.26 -4.95 119.74 119.88 3ise s LYS 76 Ca 0.00 0.71 -0.30 0.00 -1.56 0.00 0.00 55.97 54.83 3ise s LYS 76 Cb 0.00 -3.70 -0.09 0.00 -1.46 0.00 0.00 37.83 32.58 3ise s LYS 76 CO 0.00 -0.61 1.01 -0.51 0.16 0.00 0.00 175.35 175.40 3ise s LEU 77 N 2.91 4.61 -0.42 5.43 1.02 -1.26 -5.03 118.68 125.93 3ise s LEU 77 Ca 0.33 2.09 -0.06 0.00 0.02 0.00 0.00 54.13 56.51 3ise s LEU 77 Cb -0.14 -3.62 0.10 0.00 0.02 0.00 0.00 46.19 42.55 3ise s LEU 77 CO 0.11 0.03 0.25 -0.76 0.02 0.00 0.00 176.35 175.99 3ise s LEU 78 N -1.30 5.28 -0.24 1.79 1.43 -1.26 -5.06 118.68 119.33 3ise s LEU 78 Ca 0.43 -1.82 -0.10 0.00 -1.03 0.00 0.00 54.13 51.60 3ise s LEU 78 Cb -0.29 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 3ise s LEU 78 CO 0.36 -0.57 0.14 -0.63 0.23 0.00 0.00 176.35 175.88 3ise s ILE 79 N 1.28 5.20 0.59 -0.59 -1.09 -1.26 -4.77 121.20 120.56 3ise s ILE 79 Ca 0.05 0.12 -0.01 0.00 -2.23 0.00 0.00 60.65 58.58 3ise s ILE 79 Cb -0.24 -3.42 0.04 0.00 -1.58 0.00 0.00 42.46 37.26 3ise s ILE 79 CO -0.01 0.35 0.84 -0.83 -1.23 0.00 0.00 174.94 174.06 3ise s GLY 80 N 1.09 1.77 0.00 6.18 0.00 -1.26 -4.99 107.32 110.11 3ise s GLY 80 Ca 0.07 -1.19 0.17 0.00 0.00 0.00 0.00 44.72 43.77 3ise s GLY 80 CO 0.04 -0.88 0.83 -1.84 0.00 0.00 0.00 173.10 171.26 3ise n GLU 81 N -2.50 1.59 -4.02 2.90 0.28 -1.26 -4.80 120.64 112.83 3ise n GLU 81 Ca 0.08 -0.57 -0.13 0.00 -0.16 0.00 0.00 57.16 56.38 3ise n GLU 81 Cb 0.60 -1.30 -0.03 0.00 1.43 0.00 0.00 31.44 32.14 3ise n GLU 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3ise s ASN 82 N -2.19 0.63 0.21 -1.84 2.20 -1.26 -5.04 114.94 107.64 3ise s ASN 82 Ca 0.12 -1.36 -0.09 0.00 -0.94 0.00 0.00 52.86 50.58 3ise s ASN 82 Cb 0.13 0.70 0.26 0.00 -2.00 0.00 0.00 41.25 40.34 3ise s ASN 82 CO 0.51 -1.37 1.77 0.74 -2.94 0.00 0.00 177.10 175.82 3ise h THR 83 N 2.10 0.86 -0.38 0.54 2.02 -1.99 -0.60 112.91 115.46 3ise h THR 83 Ca -0.29 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 3ise h THR 83 Cb 1.24 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3ise h THR 83 CO 0.39 0.10 -0.11 -0.61 0.37 0.00 0.00 175.52 175.65 3ise h GLN 84 N 0.52 0.76 -0.57 6.66 4.15 -1.99 -2.15 115.11 122.49 3ise h GLN 84 Ca 0.30 -0.30 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 3ise h GLN 84 Cb 0.29 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 3ise h GLN 84 CO -0.24 0.91 0.14 1.49 -1.93 0.00 0.00 178.83 179.19 3ise h GLU 85 N 0.56 0.87 -0.13 1.69 4.57 -1.90 -2.00 114.58 118.24 3ise h GLU 85 Ca 0.09 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 3ise h GLU 85 Cb 0.64 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3ise h GLU 85 CO 0.04 0.78 -0.32 0.52 -1.18 0.00 0.00 179.01 178.86 3ise h MET 86 N 0.84 0.44 -0.64 1.92 2.86 -0.82 -0.01 114.93 119.52 3ise h MET 86 Ca 0.18 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3ise h MET 86 Cb 0.30 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3ise h MET 86 CO -0.00 0.92 0.41 -0.07 1.06 0.00 0.00 176.91 179.22 3ise h LEU 87 N 0.04 0.75 0.00 1.22 3.38 -1.31 -2.23 115.31 117.16 3ise h LEU 87 Ca -0.00 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3ise h LEU 87 Cb 0.92 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3ise h LEU 87 CO 0.07 0.56 -0.41 -0.61 0.09 0.00 0.00 178.44 178.15 3ise h GLN 88 N 0.88 0.00 -0.15 1.13 4.15 -1.03 -0.72 115.11 119.37 3ise h GLN 88 Ca 0.23 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.46 3ise h GLN 88 Cb -0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3ise h GLN 88 CO -0.05 0.30 -0.71 0.00 -1.93 0.00 0.00 178.83 176.45 3ise h ASP 90 N 0.46 0.48 -0.07 0.00 5.19 -1.01 -2.10 116.42 119.37 3ise h ASP 90 Ca -0.03 -0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 3ise h ASP 90 Cb 1.31 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.69 3ise h ASP 90 CO 0.14 0.70 -0.07 0.25 -3.12 0.00 0.00 179.24 177.14 3ise h LEU 91 N 0.44 0.18 -0.49 1.55 5.85 -1.15 -1.93 115.31 119.75 3ise h LEU 91 Ca 0.07 -0.48 0.08 0.00 0.84 0.00 0.00 57.88 58.40 3ise h LEU 91 Cb 0.61 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 3ise h LEU 91 CO 0.04 0.62 0.09 0.78 -0.34 0.00 0.00 178.44 179.63 3ise h ASN 92 N -0.26 -0.02 -0.99 1.25 2.35 -1.21 -0.33 115.58 116.37 3ise h ASN 92 Ca 0.01 0.09 0.09 0.00 -0.55 0.00 0.00 56.30 55.95 3ise h ASN 92 Cb 0.57 0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.99 3ise h ASN 92 CO 0.02 0.02 0.62 0.25 -1.65 0.00 0.00 177.43 176.69 3ise h LEU 93 N 0.22 0.95 0.00 1.61 5.85 -1.40 -2.02 115.31 120.53 3ise h LEU 93 Ca 0.25 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 3ise h LEU 93 Cb 0.33 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3ise h LEU 93 CO -0.33 0.56 -0.48 -0.33 -0.34 0.00 0.00 178.44 177.52 3ise h GLU 94 N 1.06 0.00 -0.11 1.25 4.39 -0.31 -1.97 114.58 118.89 3ise h GLU 94 Ca 0.46 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.95 3ise h GLU 94 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3ise h GLU 94 CO -0.22 0.37 -0.78 -0.07 -1.16 0.00 0.00 179.01 177.15 3ise h LEU 95 N 0.00 0.72 -0.03 1.33 3.38 -0.78 -2.62 115.31 117.32 3ise h LEU 95 Ca -0.01 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 3ise h LEU 95 Cb 1.31 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3ise h LEU 95 CO 0.05 1.26 0.01 0.50 0.09 0.00 0.00 178.44 180.35 3ise h LYS 96 N 0.40 0.04 -0.04 1.13 1.63 -1.30 -2.42 116.57 116.00 3ise h LYS 96 Ca -0.05 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.66 3ise h LYS 96 Cb 1.39 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.00 3ise h LYS 96 CO 0.15 0.16 -0.37 0.00 -3.45 0.00 0.00 179.45 175.94 3ise h ALA 97 N 0.88 1.32 -0.37 5.00 0.00 -1.42 -1.00 119.26 123.67 3ise h ALA 97 Ca 0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3ise h ALA 97 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ise h ALA 97 CO -0.00 0.49 -0.20 1.15 0.00 0.00 0.00 179.25 180.69 3ise h THR 98 N 0.07 1.28 -0.21 0.00 2.02 -1.43 -1.88 112.91 112.77 3ise h THR 98 Ca 0.01 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.85 3ise h THR 98 Cb 0.68 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3ise h THR 98 CO 0.05 0.44 0.12 0.50 0.37 0.00 0.00 175.52 177.00 3ise h LYS 99 N 0.59 0.29 -0.73 6.66 3.64 -0.89 -2.30 116.57 123.84 3ise h LYS 99 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3ise h LYS 99 Cb 0.76 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 3ise h LYS 99 CO 0.06 0.27 0.44 -0.44 -2.27 0.00 0.00 179.45 177.50 3ise h ASP 100 N 0.24 0.89 -0.10 4.20 3.32 -1.16 -2.90 116.42 120.91 3ise h ASP 100 Ca 0.07 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.10 3ise h ASP 100 Cb 0.06 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 3ise h ASP 100 CO -0.01 0.70 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.94 3ise h LEU 101 N 1.00 -0.58 -0.88 1.55 4.07 -1.18 -2.35 115.31 116.94 3ise h LEU 101 Ca 0.26 0.10 0.11 0.00 0.08 0.00 0.00 57.88 58.43 3ise h LEU 101 Cb -0.02 0.26 -0.08 0.00 1.08 0.00 0.00 40.66 41.90 3ise h LEU 101 CO -0.05 -0.24 0.52 0.03 -1.08 0.00 0.00 178.44 177.62 3ise h ARG 102 N -0.26 0.82 -0.61 1.13 3.08 -1.31 0.04 114.38 117.27 3ise h ARG 102 Ca 0.09 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3ise h ARG 102 Cb 0.38 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3ise h ARG 102 CO -0.25 0.54 0.16 0.93 -1.07 0.00 0.00 179.97 180.28 3ise h GLU 103 N 0.84 0.95 -0.00 0.04 5.08 -1.36 -1.78 114.58 118.35 3ise h GLU 103 Ca 0.43 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.43 3ise h GLU 103 Cb 0.43 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3ise h GLU 103 CO -0.26 0.84 -0.77 0.00 -1.00 0.00 0.00 179.01 177.81 3ise h ALA 104 N 1.26 0.71 -0.20 3.43 0.00 -0.80 -2.60 119.26 121.05 3ise h ALA 104 Ca 0.20 -0.68 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 3ise h ALA 104 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ise h ALA 104 CO -0.00 0.92 -0.09 0.82 0.00 0.00 0.00 179.25 180.90 3ise h ILE 105 N 0.04 1.30 -0.68 0.00 2.04 -0.82 -0.77 117.51 118.63 3ise h ILE 105 Ca -0.02 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 64.78 3ise h ILE 105 Cb 1.36 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 3ise h ILE 105 CO 0.11 0.34 0.35 0.58 0.00 0.00 0.00 178.15 179.53 3ise h VAL 106 N 0.11 0.91 -0.62 1.67 2.07 -1.33 -1.41 116.25 117.66 3ise h VAL 106 Ca 0.05 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 3ise h VAL 106 Cb 0.57 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3ise h VAL 106 CO 0.03 0.12 0.08 -0.74 0.02 0.00 0.00 177.57 177.08 3ise h HIS 107 N 0.63 1.10 -0.65 1.57 -0.00 -1.26 -2.17 115.15 114.38 3ise h HIS 107 Ca 0.32 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3ise h HIS 107 Cb 0.27 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 3ise h HIS 107 CO -0.09 0.95 0.41 0.00 -0.00 0.00 0.00 177.93 179.19 3ise h GLU 109 N 0.88 1.14 -0.18 0.00 4.57 -1.11 0.04 114.58 119.92 3ise h GLU 109 Ca 0.23 -0.11 -0.13 0.00 -1.18 0.00 0.00 59.36 58.17 3ise h GLU 109 Cb -0.06 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.29 3ise h GLU 109 CO -0.05 0.82 -0.44 0.37 -1.18 0.00 0.00 179.01 178.53 3ise h GLN 110 N 1.15 0.44 -0.55 1.92 4.15 -1.13 -2.16 115.11 118.94 3ise h GLN 110 Ca 0.30 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3ise h GLN 110 Cb -0.02 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3ise h GLN 110 CO -0.05 0.80 0.00 1.33 -1.93 0.00 0.00 178.83 178.97 3ise n VAL 111 N -4.00 0.85 -1.30 2.39 0.24 -0.98 -4.96 118.33 110.57 3ise n VAL 111 Ca -0.02 -0.74 -0.09 0.00 -2.04 0.00 0.00 64.34 61.46 3ise n VAL 111 Cb 0.52 0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 33.13 3ise n VAL 111 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3ise n HIS 112 N 0.97 -0.02 -1.88 6.34 8.25 -0.19 -4.93 115.22 123.75 3ise n HIS 112 Ca 0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 3ise n HIS 112 Cb 0.50 -1.77 -0.00 0.00 1.12 0.00 0.00 29.99 29.84 3ise n HIS 112 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3ise n ASP 113 N 0.59 4.51 0.19 0.41 -0.08 -0.18 -4.77 116.55 117.22 3ise n ASP 113 Ca -0.09 -2.91 0.05 0.00 -1.51 0.00 0.00 54.79 50.34 3ise n ASP 113 Cb 0.30 -1.60 0.51 0.00 2.34 0.00 0.00 41.12 42.67 3ise n ASP 113 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3ise h TYR 114 N 5.85 0.09 -0.12 -0.67 0.05 -1.92 -1.55 116.97 118.71 3ise h TYR 114 Ca 0.54 -0.00 -0.18 0.00 0.05 0.00 0.00 58.73 59.13 3ise h TYR 114 Cb 0.61 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.32 3ise h TYR 114 CO 1.42 0.18 -0.68 0.28 -1.05 0.00 0.00 178.16 178.31 3ise h VAL 115 N 0.09 1.35 -0.33 -2.88 2.07 -1.97 -2.38 116.25 112.20 3ise h VAL 115 Ca 0.02 -2.02 -0.12 0.00 0.82 0.00 0.00 66.70 65.40 3ise h VAL 115 Cb 0.21 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3ise h VAL 115 CO 0.01 0.62 -0.29 0.28 0.02 0.00 0.00 177.57 178.21 3ise h SER 116 N 0.35 0.72 -0.21 0.57 0.02 -1.87 -2.68 113.55 110.44 3ise h SER 116 Ca -0.02 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3ise h SER 116 Cb 1.26 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3ise h SER 116 CO 0.12 0.97 0.14 -0.09 -1.14 0.00 0.00 176.83 176.83 3ise h ARG 117 N 0.60 0.17 0.09 3.45 2.43 -1.18 -2.31 114.38 117.63 3ise h ARG 117 Ca 0.07 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.98 3ise h ARG 117 Cb 0.80 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3ise h ARG 117 CO 0.07 0.11 -1.14 0.22 -1.51 0.00 0.00 179.97 177.71 3ise h ASP 118 N 0.17 0.40 -0.33 -3.80 3.58 -1.10 -1.76 116.42 113.59 3ise h ASP 118 Ca 0.09 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 57.06 3ise h ASP 118 Cb 0.14 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3ise h ASP 118 CO -0.01 1.28 -0.07 0.25 -2.88 0.00 0.00 179.24 177.81 3ise h LEU 119 N 0.10 0.63 -0.80 2.28 6.46 -1.35 -2.49 115.31 120.14 3ise h LEU 119 Ca -0.11 -0.36 -0.06 0.00 -0.12 0.00 0.00 57.88 57.24 3ise h LEU 119 Cb 1.85 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.58 3ise h LEU 119 CO 0.19 0.84 0.23 -0.07 -0.62 0.00 0.00 178.44 179.00 3ise h LEU 120 N 0.41 1.05 -0.94 2.25 3.38 -1.33 -1.73 115.31 118.40 3ise h LEU 120 Ca 0.09 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3ise h LEU 120 Cb 0.56 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3ise h LEU 120 CO 0.03 0.97 -0.17 0.50 0.09 0.00 0.00 178.44 179.87 3ise h LYS 121 N 1.08 0.58 -0.23 1.13 1.63 -1.27 0.38 116.57 119.87 3ise h LYS 121 Ca 0.24 -0.20 -0.07 0.00 -0.85 0.00 0.00 60.65 59.77 3ise h LYS 121 Cb 0.30 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 3ise h LYS 121 CO -0.01 0.73 -0.14 -0.44 -3.45 0.00 0.00 179.45 176.14 3ise h ASP 122 N 0.53 0.53 0.43 4.20 3.32 -1.06 -2.09 116.42 122.27 3ise h ASP 122 Ca 0.09 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 3ise h ASP 122 Cb 0.59 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3ise h ASP 122 CO 0.04 0.84 -0.29 0.40 -1.72 0.00 0.00 179.24 178.51 3ise h ILE 123 N 0.22 0.40 -0.88 0.35 2.04 -1.03 -2.81 117.51 115.80 3ise h ILE 123 Ca 0.05 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.13 3ise h ILE 123 Cb 0.65 0.40 -0.13 0.00 -0.74 0.00 0.00 36.82 37.00 3ise h ILE 123 CO 0.04 0.00 0.34 0.25 0.00 0.00 0.00 178.15 178.78 3ise h LEU 124 N -0.70 0.23 -1.25 1.44 5.85 -0.18 0.35 115.31 121.05 3ise h LEU 124 Ca -0.04 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3ise h LEU 124 Cb 0.58 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3ise h LEU 124 CO 0.03 -0.05 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.77 3ise h GLU 125 N 0.34 0.23 -0.13 1.25 4.81 -1.34 -1.15 114.58 118.59 3ise h GLU 125 Ca 0.55 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.54 3ise h GLU 125 Cb 1.07 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.44 3ise h GLU 125 CO -0.56 0.45 -0.61 1.03 -0.73 0.00 0.00 179.01 178.59 3ise h SER 126 N 0.21 0.76 0.09 1.04 0.87 -0.14 -2.04 113.55 114.34 3ise h SER 126 Ca 0.04 -0.63 -0.05 0.00 -1.23 0.00 0.00 61.79 59.91 3ise h SER 126 Cb 0.52 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3ise h SER 126 CO 0.04 1.27 -0.17 -0.33 -0.53 0.00 0.00 176.83 177.10 3ise h GLU 127 N 0.30 0.17 0.00 2.24 4.39 -0.78 -1.22 114.58 119.68 3ise h GLU 127 Ca -0.04 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 3ise h GLU 127 Cb 1.24 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3ise h GLU 127 CO 0.13 0.35 -0.36 0.93 -1.16 0.00 0.00 179.01 178.90 3ise h GLU 128 N 0.16 0.00 -0.12 2.33 5.08 -1.00 -1.51 114.58 119.52 3ise h GLU 128 Ca 0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3ise h GLU 128 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3ise h GLU 128 CO 0.03 0.36 -0.51 0.93 -1.00 0.00 0.00 179.01 178.81 3ise h GLU 129 N 0.00 0.34 -0.20 2.33 5.08 -0.79 -2.39 114.58 118.95 3ise h GLU 129 Ca -0.00 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3ise h GLU 129 Cb 1.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3ise h GLU 129 CO 0.05 0.78 0.01 1.25 -1.00 0.00 0.00 179.01 180.09 3ise h HIS 130 N 0.27 0.37 -0.90 4.33 2.76 -0.43 -2.55 115.15 119.00 3ise h HIS 130 Ca 0.01 -0.06 0.12 0.00 -2.20 0.00 0.00 60.37 58.24 3ise h HIS 130 Cb 1.00 -0.10 -0.08 0.00 1.55 0.00 0.00 27.41 29.77 3ise h HIS 130 CO 0.03 0.52 0.53 0.82 -1.30 0.00 0.00 177.93 178.52 3ise h ILE 131 N 0.12 0.86 -0.65 6.26 2.04 -1.34 -1.36 117.51 123.44 3ise h ILE 131 Ca 0.06 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3ise h ILE 131 Cb 0.36 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 3ise h ILE 131 CO 0.01 0.15 0.33 -0.78 0.00 0.00 0.00 178.15 177.86 3ise h ASP 132 N 0.82 0.84 -0.49 1.72 3.58 -1.30 0.06 116.42 121.65 3ise h ASP 132 Ca 0.45 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 3ise h ASP 132 Cb 0.50 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 3ise h ASP 132 CO -0.29 0.72 0.29 0.22 -2.88 0.00 0.00 179.24 177.30 3ise h TYR 133 N 0.90 0.65 0.04 0.28 3.20 -1.01 -1.89 116.97 119.14 3ise h TYR 133 Ca 0.23 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3ise h TYR 133 Cb 0.09 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.14 3ise h TYR 133 CO -0.00 0.46 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.89 3ise h LEU 134 N 0.65 -0.04 -2.31 2.82 4.07 -1.04 0.38 115.31 119.84 3ise h LEU 134 Ca 0.18 -0.41 0.01 0.00 0.08 0.00 0.00 57.88 57.74 3ise h LEU 134 Cb 0.01 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 3ise h LEU 134 CO -0.03 0.40 0.04 -0.33 -1.08 0.00 0.00 178.44 177.43 3ise h GLU 135 N -0.49 0.00 0.18 1.13 5.08 -1.01 -1.59 114.58 117.88 3ise h GLU 135 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 3ise h GLU 135 Cb 0.45 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 3ise h GLU 135 CO 0.01 0.00 -1.52 1.15 -1.00 0.00 0.00 179.01 177.64 3ise h THR 136 N 0.00 1.20 -0.61 1.13 2.02 -0.92 -2.49 112.91 113.23 3ise h THR 136 Ca 0.02 -2.74 -0.01 0.00 0.77 0.00 0.00 66.41 64.45 3ise h THR 136 Cb 0.09 2.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 3ise h THR 136 CO -0.00 0.84 0.36 1.56 0.37 0.00 0.00 175.52 178.65 3ise h GLN 137 N 0.10 0.84 0.05 6.66 1.08 -0.48 -1.20 115.11 122.17 3ise h GLN 137 Ca -0.25 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3ise h GLN 137 Cb 2.08 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 3ise h GLN 137 CO 0.21 0.61 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.61 3ise h LEU 138 N 0.83 -0.06 -2.15 1.46 4.07 -1.31 -1.22 115.31 116.93 3ise h LEU 138 Ca 0.22 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 3ise h LEU 138 Cb -0.00 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 3ise h LEU 138 CO -0.04 0.01 -0.04 1.23 -1.08 0.00 0.00 178.44 178.52 3ise h GLY 139 N -0.13 0.00 2.00 0.83 0.00 -1.36 -2.16 103.07 102.25 3ise h GLY 139 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 3ise h GLY 139 CO 0.01 0.00 -0.61 1.41 0.00 0.00 0.00 176.54 177.35 3ise h LEU 140 N 0.00 0.00 -0.76 3.11 3.38 -0.05 -1.76 115.31 119.23 3ise h LEU 140 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3ise h LEU 140 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ise h LEU 140 CO 0.01 0.61 -0.22 0.40 0.09 0.00 0.00 178.44 179.33 3ise h ILE 141 N 0.00 1.27 -0.00 1.22 2.04 -0.70 -0.40 117.51 120.94 3ise h ILE 141 Ca -0.01 -1.31 -0.13 0.00 1.00 0.00 0.00 64.86 64.42 3ise h ILE 141 Cb 1.09 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3ise h ILE 141 CO 0.08 0.43 -0.60 1.56 0.00 0.00 0.00 178.15 179.62 3ise h GLN 142 N 0.61 0.01 0.00 2.37 4.20 -1.42 -1.32 115.11 119.56 3ise h GLN 142 Ca 0.09 -0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.55 3ise h GLN 142 Cb 0.71 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 3ise h GLN 142 CO 0.05 0.61 -1.56 1.63 -0.67 0.00 0.00 178.83 178.90 3ise n LYS 143 N -3.83 0.63 0.00 1.46 5.02 -0.69 -4.41 118.16 116.35 3ise n LYS 143 Ca -0.01 0.27 0.01 0.00 -2.02 0.00 0.00 58.31 56.55 3ise n LYS 143 Cb 0.60 -1.80 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 3ise n LYS 143 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3ise n VAL 144 N -2.97 0.00 0.00 -0.18 0.24 -0.19 -5.08 118.33 110.15 3ise n VAL 144 Ca -0.13 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3ise n VAL 144 Cb 0.95 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 34.32 3ise n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ise n GLY 145 N 0.96 2.05 0.32 7.63 0.00 -0.50 -4.40 105.19 111.24 3ise n GLY 145 Ca 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.44 3ise n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ise h LEU 146 N 0.00 0.58 -0.16 0.99 5.85 -1.91 -2.00 115.31 118.66 3ise h LEU 146 Ca 0.00 -0.02 -0.23 0.00 0.84 0.00 0.00 57.88 58.47 3ise h LEU 146 Cb 0.00 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 40.89 3ise h LEU 146 CO 0.00 0.42 -0.92 -0.33 -0.34 0.00 0.00 178.44 177.27 3ise h GLU 147 N 0.68 0.55 -0.48 1.25 5.08 -1.94 -1.96 114.58 117.76 3ise h GLU 147 Ca 0.18 -0.54 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 3ise h GLU 147 Cb -0.07 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3ise h GLU 147 CO -0.04 1.17 0.02 -0.91 -1.00 0.00 0.00 179.01 178.25 3ise h ASN 148 N 0.33 0.82 -0.27 1.42 2.35 -1.73 -0.57 115.58 117.93 3ise h ASN 148 Ca -0.08 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.36 3ise h ASN 148 Cb 1.55 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.69 3ise h ASN 148 CO 0.17 0.91 0.13 0.22 -1.65 0.00 0.00 177.43 177.21 3ise h TYR 149 N 0.69 0.38 -0.58 1.19 3.20 -1.29 -0.74 116.97 119.82 3ise h TYR 149 Ca 0.14 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3ise h TYR 149 Cb 0.48 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3ise h TYR 149 CO 0.04 0.36 0.03 -0.07 -1.64 0.00 0.00 178.16 176.87 3ise h LEU 150 N 0.30 0.96 -0.70 2.82 3.38 -1.32 -2.72 115.31 118.03 3ise h LEU 150 Ca 0.09 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.90 3ise h LEU 150 Cb 0.12 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 3ise h LEU 150 CO -0.01 1.00 0.36 -0.61 0.09 0.00 0.00 178.44 179.27 3ise h GLN 151 N 0.92 0.60 0.00 1.13 4.15 -0.52 -0.06 115.11 121.33 3ise h GLN 151 Ca 0.17 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3ise h GLN 151 Cb 0.49 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3ise h GLN 151 CO 0.02 0.40 0.00 0.43 -1.93 0.00 0.00 178.83 177.75 3ise n SER 152 N -4.85 0.00 -0.07 -0.69 7.64 -0.34 -2.60 113.62 112.72 3ise n SER 152 Ca 0.11 -0.93 0.08 0.00 1.01 0.00 0.00 58.87 59.13 3ise n SER 152 Cb 0.25 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.56 3ise n SER 152 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3ise n HIS 153 N -0.96 0.00 0.06 1.43 8.25 -0.05 -4.74 115.22 119.20 3ise n HIS 153 Ca 0.19 -0.86 -0.04 0.00 -0.26 0.00 0.00 57.72 56.75 3ise n HIS 153 Cb 0.09 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 3ise n HIS 153 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3ise h MET 154 N 0.00 -0.23 -6.40 -0.41 2.86 -1.30 -2.09 114.93 107.36 3ise h MET 154 Ca 0.00 0.02 -0.53 0.00 -2.06 0.00 0.00 59.70 57.13 3ise h MET 154 Cb 0.91 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 3ise h MET 154 CO 0.00 -0.15 -0.19 -1.01 1.06 0.00 0.00 176.91 176.61 3ise s HIS 155 N -2.30 3.47 -2.00 -0.22 3.76 -1.26 -1.71 115.29 115.03 3ise s HIS 155 Ca -0.03 0.59 0.22 0.00 -0.15 0.00 0.00 55.06 55.69 3ise s HIS 155 Cb 0.00 -2.05 1.33 0.00 1.11 0.00 0.00 32.58 32.97 3ise s HIS 155 CO 0.10 0.25 1.70 0.39 -0.85 0.00 0.00 174.74 176.33