#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iix s THR 2 N 0.00 2.73 0.17 3.17 -4.23 -1.26 -4.81 115.64 111.41 3iix s THR 2 Ca 0.00 0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 60.60 3iix s THR 2 Cb 0.00 -3.05 0.09 0.00 1.34 0.00 0.00 72.50 70.88 3iix s THR 2 CO 0.00 -0.31 1.70 1.23 -0.54 0.00 0.00 174.62 176.70 3iix h GLY 3 N -1.13 0.44 1.01 3.99 0.00 -1.99 0.08 103.07 105.47 3iix h GLY 3 Ca -0.48 0.04 0.01 0.00 0.00 0.00 0.00 47.33 46.91 3iix h GLY 3 CO 0.61 -0.10 0.64 0.07 0.00 0.00 0.00 176.54 177.76 3iix h ARG 4 N 0.12 1.27 -0.40 4.80 -0.00 -1.99 -1.46 114.38 116.72 3iix h ARG 4 Ca 0.21 -0.08 -0.11 0.00 -0.00 0.00 0.00 59.98 60.00 3iix h ARG 4 Cb 0.30 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.97 29.97 3iix h ARG 4 CO -0.34 0.84 -0.21 1.49 -0.00 0.00 0.00 179.97 181.75 3iix h GLU 5 N 1.31 0.80 -0.42 0.08 4.22 -1.70 -1.67 114.58 117.20 3iix h GLU 5 Ca 0.35 -0.31 -0.04 0.00 0.08 0.00 0.00 59.36 59.44 3iix h GLU 5 Cb -0.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3iix h GLU 5 CO -0.08 0.93 0.12 0.82 -2.18 0.00 0.00 179.01 178.62 3iix h ILE 6 N 0.70 1.22 -0.62 2.32 1.08 -0.57 -1.61 117.51 120.02 3iix h ILE 6 Ca 0.10 -0.75 0.01 0.00 -0.39 0.00 0.00 64.86 63.82 3iix h ILE 6 Cb 0.72 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 3iix h ILE 6 CO 0.06 0.27 0.41 -0.07 -0.69 0.00 0.00 178.15 178.12 3iix h LEU 7 N 0.53 0.71 -0.67 1.44 3.38 -1.16 -0.37 115.31 119.17 3iix h LEU 7 Ca 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3iix h LEU 7 Cb 0.29 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3iix h LEU 7 CO -0.00 0.52 0.37 -0.08 0.09 0.00 0.00 178.44 179.34 3iix h GLU 8 N 0.84 0.93 -0.64 1.13 4.57 -1.15 0.27 114.58 120.53 3iix h GLU 8 Ca 0.23 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3iix h GLU 8 Cb -0.09 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.29 3iix h GLU 8 CO -0.05 0.69 0.12 0.87 -1.18 0.00 0.00 179.01 179.46 3iix h LYS 9 N 0.91 1.02 -0.53 1.92 1.57 -0.88 -0.37 116.57 120.21 3iix h LYS 9 Ca 0.24 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3iix h LYS 9 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3iix h LYS 9 CO -0.04 0.93 0.20 -0.07 -0.57 0.00 0.00 179.45 179.90 3iix h LEU 10 N 0.97 0.74 -1.35 2.94 3.38 -0.65 0.77 115.31 122.12 3iix h LEU 10 Ca 0.20 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3iix h LEU 10 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3iix h LEU 10 CO 0.01 0.72 0.01 -0.33 0.09 0.00 0.00 178.44 178.94 3iix h GLU 11 N 0.72 0.44 -0.00 1.13 5.08 -0.63 -1.61 114.58 119.70 3iix h GLU 11 Ca 0.18 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3iix h GLU 11 Cb 0.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3iix h GLU 11 CO -0.01 0.46 -0.06 0.54 -1.00 0.00 0.00 179.01 178.93 3iix n ARG 12 N -4.32 0.94 -3.15 2.33 1.74 -0.18 -4.94 116.66 109.08 3iix n ARG 12 Ca 0.01 -0.32 -0.18 0.00 -0.77 0.00 0.00 57.85 56.60 3iix n ARG 12 Cb 0.21 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.21 3iix n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3iix n ARG 13 N -0.76 -5.19 -2.91 5.56 1.74 -0.35 -4.95 116.66 109.81 3iix n ARG 13 Ca 0.17 0.65 -0.44 0.00 -0.77 0.00 0.00 57.85 57.46 3iix n ARG 13 Cb 0.25 -5.06 0.00 0.00 -1.02 0.00 0.00 32.46 26.64 3iix n ARG 13 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3iix n GLU 14 N -3.65 3.42 -2.04 5.56 -0.58 0.12 -4.92 120.64 118.55 3iix n GLU 14 Ca -0.03 -3.87 -0.40 0.00 -0.42 0.00 0.00 57.16 52.44 3iix n GLU 14 Cb 0.56 -2.99 -0.00 0.00 -0.57 0.00 0.00 31.44 28.44 3iix n GLU 14 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3iix n PHE 15 N 5.18 2.65 -2.48 -0.32 0.99 -1.26 -4.66 117.46 117.55 3iix n PHE 15 Ca 0.36 -2.82 -0.30 0.00 -0.00 0.00 0.00 57.45 54.69 3iix n PHE 15 Cb 0.42 -1.87 -0.01 0.00 -1.00 0.00 0.00 39.48 37.01 3iix n PHE 15 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3iix s THR 16 N -0.81 4.76 0.29 4.37 -4.23 -1.26 -4.92 115.64 113.83 3iix s THR 16 Ca 0.52 0.67 0.04 0.00 -1.18 0.00 0.00 61.69 61.74 3iix s THR 16 Cb 0.17 -3.80 0.28 0.00 1.34 0.00 0.00 72.50 70.49 3iix s THR 16 CO -0.08 -0.79 1.76 -0.09 -0.54 0.00 0.00 174.62 174.89 3iix h ARG 17 N 0.55 0.67 -0.58 3.99 2.43 -1.98 -1.76 114.38 117.70 3iix h ARG 17 Ca -0.46 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.59 3iix h ARG 17 Cb 1.19 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 3iix h ARG 17 CO 0.62 0.44 0.06 0.93 -1.51 0.00 0.00 179.97 180.52 3iix h GLU 18 N 0.69 0.97 -0.42 0.20 3.07 -1.97 -0.31 114.58 116.81 3iix h GLU 18 Ca 0.55 -0.28 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 3iix h GLU 18 Cb 0.86 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.65 3iix h GLU 18 CO -0.40 0.94 0.04 0.28 -1.40 0.00 0.00 179.01 178.47 3iix h VAL 19 N 0.87 1.25 -0.53 3.13 2.07 -1.69 -1.80 116.25 119.55 3iix h VAL 19 Ca 0.17 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 3iix h VAL 19 Cb 0.46 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3iix h VAL 19 CO 0.02 0.32 0.09 -0.07 0.02 0.00 0.00 177.57 177.95 3iix h LEU 20 N 0.56 0.83 -0.60 2.57 3.38 -1.12 -1.03 115.31 119.91 3iix h LEU 20 Ca 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3iix h LEU 20 Cb 0.42 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3iix h LEU 20 CO 0.01 0.88 0.33 0.50 0.09 0.00 0.00 178.44 180.25 3iix h LYS 21 N 0.75 0.84 -0.48 1.13 1.63 -0.99 -1.89 116.57 117.55 3iix h LYS 21 Ca 0.16 -0.10 -0.08 0.00 -0.85 0.00 0.00 60.65 59.78 3iix h LYS 21 Cb 0.40 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3iix h LYS 21 CO 0.01 0.64 -0.02 1.49 -3.45 0.00 0.00 179.45 178.11 3iix h GLU 22 N 0.81 0.87 -0.94 1.90 4.57 -1.10 -1.20 114.58 119.49 3iix h GLU 22 Ca 0.21 -0.29 0.08 0.00 -1.18 0.00 0.00 59.36 58.18 3iix h GLU 22 Cb 0.05 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.49 3iix h GLU 22 CO -0.03 0.92 0.59 0.00 -1.18 0.00 0.00 179.01 179.31 3iix h ALA 23 N 0.92 1.32 0.00 2.92 0.00 -0.92 -0.79 119.26 122.71 3iix h ALA 23 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iix h ALA 23 Cb 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3iix h ALA 23 CO 0.03 0.32 0.00 -0.07 0.00 0.00 0.00 179.25 179.53 3iix h LEU 24 N 1.05 0.00 0.01 0.00 3.38 -1.11 -3.32 115.31 115.31 3iix h LEU 24 Ca 0.42 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.09 3iix h LEU 24 Cb 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3iix h LEU 24 CO -0.20 0.00 -1.73 -1.20 0.09 0.00 0.00 178.44 175.40 3iix n SER 25 N -2.77 0.93 -4.72 -0.43 7.64 -0.47 -4.87 113.62 108.94 3iix n SER 25 Ca 0.05 0.40 -0.42 0.00 1.01 0.00 0.00 58.87 59.91 3iix n SER 25 Cb 0.49 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 3iix n SER 25 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3iix s ILE 26 N -2.59 3.66 -1.09 0.44 1.01 -0.38 -4.93 121.20 117.31 3iix s ILE 26 Ca -0.06 1.21 0.12 0.00 0.00 0.00 0.00 60.65 61.92 3iix s ILE 26 Cb 0.08 -3.78 0.28 0.00 0.01 0.00 0.00 42.46 39.06 3iix s ILE 26 CO 0.82 0.11 1.20 0.59 0.00 0.00 0.00 174.94 177.66 3iix n ASN 27 N 3.77 2.80 -4.73 3.58 3.02 -1.26 -4.91 115.26 117.53 3iix n ASN 27 Ca 0.09 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.32 3iix n ASN 27 Cb 0.44 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 3iix n ASN 27 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3iix s ASP 28 N -1.00 6.42 0.17 6.41 2.15 -1.26 -4.91 116.67 124.65 3iix s ASP 28 Ca 0.23 2.83 -0.15 0.00 0.43 0.00 0.00 52.55 55.89 3iix s ASP 28 Cb 0.12 -2.61 0.07 0.00 -0.30 0.00 0.00 42.92 40.21 3iix s ASP 28 CO 0.16 -0.93 1.80 -0.09 -0.17 0.00 0.00 175.17 175.95 3iix h ARG 29 N 6.42 0.53 -0.47 4.34 2.43 -1.99 -1.55 114.38 124.09 3iix h ARG 29 Ca -0.44 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 58.75 3iix h ARG 29 Cb 1.20 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 3iix h ARG 29 CO 0.92 0.35 0.21 0.78 -1.51 0.00 0.00 179.97 180.71 3iix h GLY 30 N 0.54 0.65 0.95 2.80 0.00 -1.99 -0.51 103.07 105.51 3iix h GLY 30 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3iix h GLY 30 CO -0.09 0.06 0.08 -2.75 0.00 0.00 0.00 176.54 173.84 3iix h PHE 31 N 0.41 0.18 -0.63 5.60 3.57 -1.88 -1.96 116.94 122.22 3iix h PHE 31 Ca 0.22 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.73 3iix h PHE 31 Cb 0.17 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3iix h PHE 31 CO -0.13 0.17 0.41 -0.91 -2.23 0.00 0.00 178.31 175.62 3iix h ASN 32 N 0.13 0.68 -0.41 0.41 2.35 -0.93 0.10 115.58 117.92 3iix h ASN 32 Ca 0.05 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 3iix h ASN 32 Cb 0.05 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3iix h ASN 32 CO -0.01 0.48 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.90 3iix h GLU 33 N 0.81 0.82 -0.54 0.81 5.08 -1.00 -0.38 114.58 120.18 3iix h GLU 33 Ca 0.24 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3iix h GLU 33 Cb -0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3iix h GLU 33 CO -0.08 0.84 -0.07 0.00 -1.00 0.00 0.00 179.01 178.70 3iix h ALA 34 N 1.21 0.84 -0.46 3.43 0.00 -0.80 -0.94 119.26 122.54 3iix h ALA 34 Ca 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iix h ALA 34 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3iix h ALA 34 CO 0.03 0.66 0.27 1.25 0.00 0.00 0.00 179.25 181.45 3iix h LEU 35 N 0.89 0.55 -0.57 0.00 5.85 -0.58 -0.95 115.31 120.51 3iix h LEU 35 Ca 0.15 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3iix h LEU 35 Cb 0.62 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3iix h LEU 35 CO 0.04 0.46 0.12 -0.26 -0.34 0.00 0.00 178.44 178.46 3iix h PHE 36 N 0.61 0.97 -0.75 1.25 0.04 -0.90 -1.27 116.94 116.89 3iix h PHE 36 Ca 0.16 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3iix h PHE 36 Cb 0.01 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 37.85 3iix h PHE 36 CO -0.03 0.84 0.45 0.87 -0.60 0.00 0.00 178.31 179.84 3iix h LYS 37 N 0.82 1.02 -0.16 1.51 1.57 -1.00 -0.63 116.57 119.69 3iix h LYS 37 Ca 0.18 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3iix h LYS 37 Cb 0.37 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3iix h LYS 37 CO 0.01 0.73 0.06 1.25 -0.57 0.00 0.00 179.45 180.92 3iix h LEU 38 N 1.03 0.22 -0.93 2.94 5.85 -0.88 -0.69 115.31 122.85 3iix h LEU 38 Ca 0.27 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3iix h LEU 38 Cb -0.03 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3iix h LEU 38 CO -0.05 0.33 0.55 0.00 -0.34 0.00 0.00 178.44 178.93 3iix h ALA 39 N 0.90 1.18 -0.57 1.25 0.00 -1.06 -0.50 119.26 120.46 3iix h ALA 39 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3iix h ALA 39 Cb 0.17 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3iix h ALA 39 CO -0.00 0.64 0.26 0.22 0.00 0.00 0.00 179.25 180.37 3iix h ASP 40 N 1.28 0.76 -0.45 0.00 3.58 -0.88 0.20 116.42 120.91 3iix h ASP 40 Ca 0.33 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.54 3iix h ASP 40 Cb -0.04 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 3iix h ASP 40 CO -0.06 0.69 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.81 3iix h GLU 41 N 0.78 0.86 -0.57 0.28 4.57 -0.78 -1.21 114.58 118.52 3iix h GLU 41 Ca 0.20 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 3iix h GLU 41 Cb 0.14 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3iix h GLU 41 CO -0.02 0.97 0.30 0.82 -1.18 0.00 0.00 179.01 179.89 3iix h ILE 42 N 0.70 1.19 -0.05 2.32 2.04 -0.93 -0.18 117.51 122.61 3iix h ILE 42 Ca 0.11 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.50 3iix h ILE 42 Cb 0.64 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3iix h ILE 42 CO 0.04 0.21 -0.18 -0.09 0.00 0.00 0.00 178.15 178.14 3iix h ARG 43 N 0.77 -0.26 -0.66 2.37 1.12 -0.83 -1.18 114.38 115.71 3iix h ARG 43 Ca 0.20 0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.10 3iix h ARG 43 Cb 0.07 0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.05 3iix h ARG 43 CO -0.03 -0.17 0.43 -0.09 -3.11 0.00 0.00 179.97 177.00 3iix h ARG 44 N -0.27 0.85 -0.55 0.20 2.43 -0.85 0.39 114.38 116.59 3iix h ARG 44 Ca 0.07 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3iix h ARG 44 Cb 0.37 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3iix h ARG 44 CO -0.21 0.57 -0.03 0.87 -1.51 0.00 0.00 179.97 179.66 3iix h LYS 45 N 0.88 0.97 0.07 0.20 1.57 -0.72 -1.89 116.57 117.65 3iix h LYS 45 Ca 0.25 -0.31 -0.36 0.00 -1.87 0.00 0.00 60.65 58.35 3iix h LYS 45 Cb -0.08 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 3iix h LYS 45 CO -0.06 0.98 -2.11 0.66 -0.57 0.00 0.00 179.45 178.34 3iix n TYR 46 N -4.18 0.82 0.03 -1.35 4.02 -0.47 -4.58 117.16 111.45 3iix n TYR 46 Ca 0.02 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 3iix n TYR 46 Cb 0.35 -1.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.56 3iix n TYR 46 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3iix n VAL 47 N -3.32 0.13 -4.45 -0.72 0.24 0.09 -4.91 118.33 105.38 3iix n VAL 47 Ca -0.34 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 3iix n VAL 47 Cb 1.04 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 34.36 3iix n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iix n GLY 48 N -0.01 -1.19 0.45 7.63 0.00 -0.71 -4.35 105.19 107.01 3iix n GLY 48 Ca 0.01 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 44.97 3iix n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iix n ASP 49 N -0.98 1.62 -4.71 1.61 8.00 -1.26 -4.48 116.55 116.34 3iix n ASP 49 Ca 0.00 -1.32 -0.42 0.00 0.71 0.00 0.00 54.79 53.76 3iix n ASP 49 Cb 0.00 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 3iix n ASP 49 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3iix s GLU 50 N -2.32 4.28 -0.28 -1.24 2.02 -1.26 -1.85 118.70 118.04 3iix s GLU 50 Ca 0.26 2.17 -0.06 0.00 0.02 0.00 0.00 54.97 57.36 3iix s GLU 50 Cb 0.19 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 31.19 3iix s GLU 50 CO 0.46 -0.51 0.07 0.08 0.02 0.00 0.00 175.26 175.38 3iix s VAL 51 N 1.23 3.92 0.05 2.63 1.01 0.71 -4.84 120.40 125.10 3iix s VAL 51 Ca 0.67 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 3iix s VAL 51 Cb -0.39 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3iix s VAL 51 CO 0.30 0.13 0.94 -1.00 0.00 0.00 0.00 175.10 175.47 3iix s HIS 52 N 1.50 3.73 -0.26 5.22 0.09 -0.71 -2.06 115.29 122.79 3iix s HIS 52 Ca 0.03 1.70 -0.12 0.00 -0.00 0.00 0.00 55.06 56.67 3iix s HIS 52 Cb -0.17 -3.05 -0.05 0.00 -0.00 0.00 0.00 32.58 29.32 3iix s HIS 52 CO 0.02 0.12 0.22 0.42 -0.00 0.00 0.00 174.74 175.52 3iix s ILE 53 N 0.47 5.30 -0.26 0.60 1.01 -1.26 -1.06 121.20 125.99 3iix s ILE 53 Ca 0.48 0.27 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 3iix s ILE 53 Cb -0.22 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.73 3iix s ILE 53 CO 0.28 0.26 -0.05 -0.13 0.00 0.00 0.00 174.94 175.31 3iix s ARG 54 N 1.56 2.71 -0.22 2.79 1.81 -0.33 -3.91 118.95 123.36 3iix s ARG 54 Ca 0.09 -1.06 -0.26 0.00 -1.72 0.00 0.00 55.73 52.78 3iix s ARG 54 Cb -0.15 -3.04 -0.00 0.00 -0.45 0.00 0.00 34.95 31.31 3iix s ARG 54 CO 0.09 -0.46 0.87 0.00 -0.68 0.00 0.00 175.30 175.11 3iix s ALA 55 N 1.30 3.62 -0.20 2.13 0.00 -0.63 -3.07 121.76 124.91 3iix s ALA 55 Ca -0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.82 3iix s ALA 55 Cb -0.18 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3iix s ALA 55 CO -0.04 -0.88 0.10 -1.50 0.00 0.00 0.00 175.76 173.44 3iix s ILE 56 N 2.74 5.05 -0.26 0.00 2.07 -0.89 -0.61 121.20 129.30 3iix s ILE 56 Ca 0.37 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.64 3iix s ILE 56 Cb -0.16 -3.30 0.02 0.00 0.13 0.00 0.00 42.46 39.15 3iix s ILE 56 CO 0.08 0.43 -0.01 -0.63 -1.91 0.00 0.00 174.94 172.91 3iix s ILE 57 N 0.51 3.31 -0.74 2.00 1.01 0.10 -0.21 121.20 127.17 3iix s ILE 57 Ca 0.05 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3iix s ILE 57 Cb -0.12 -2.68 0.15 0.00 0.01 0.00 0.00 42.46 39.82 3iix s ILE 57 CO 0.00 0.18 0.81 -1.61 0.00 0.00 0.00 174.94 174.32 3iix s GLU 58 N 1.40 3.35 0.03 2.79 2.02 -1.26 -1.72 118.70 125.30 3iix s GLU 58 Ca 0.02 -1.82 0.24 0.00 0.02 0.00 0.00 54.97 53.42 3iix s GLU 58 Cb -0.17 -4.47 0.22 0.00 0.10 0.00 0.00 34.13 29.81 3iix s GLU 58 CO -0.02 -1.50 1.19 1.97 0.02 0.00 0.00 175.26 176.92 3iix n PHE 59 N 5.55 0.15 -3.68 1.61 1.16 -0.54 -4.82 117.46 116.89 3iix n PHE 59 Ca 0.05 0.04 -0.12 0.00 -1.87 0.00 0.00 57.45 55.55 3iix n PHE 59 Cb 0.45 -0.32 -0.09 0.00 -1.61 0.00 0.00 39.48 37.92 3iix n PHE 59 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3iix s SER 60 N -3.44 -0.64 -0.10 5.98 0.15 -1.26 -0.72 113.70 113.67 3iix s SER 60 Ca 0.08 1.16 0.16 0.00 0.70 0.00 0.00 55.95 58.05 3iix s SER 60 Cb 0.16 1.14 0.57 0.00 -1.71 0.00 0.00 66.02 66.17 3iix s SER 60 CO 0.76 -0.20 1.48 -0.46 1.20 0.00 0.00 173.24 176.02 3iix n ASN 61 N 3.24 4.09 -4.72 5.45 6.94 -1.07 -1.99 115.26 127.19 3iix n ASN 61 Ca -0.16 -2.48 -0.42 0.00 -0.02 0.00 0.00 54.58 51.50 3iix n ASN 61 Cb 0.56 -0.48 -0.03 0.00 -2.36 0.00 0.00 39.78 37.47 3iix n ASN 61 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3iix s VAL 62 N -1.89 4.35 -0.02 3.53 1.01 -1.26 -4.76 120.40 121.36 3iix s VAL 62 Ca 0.42 1.80 -0.01 0.00 0.00 0.00 0.00 61.98 64.18 3iix s VAL 62 Cb 0.28 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3iix s VAL 62 CO 0.18 0.20 0.05 0.00 0.00 0.00 0.00 175.10 175.53 3iix n ARG 64 N 3.26 0.28 -2.76 0.00 1.85 -0.67 -4.14 116.66 114.49 3iix n ARG 64 Ca -0.15 0.12 -0.20 0.00 -1.00 0.00 0.00 57.85 56.62 3iix n ARG 64 Cb 0.58 -1.72 0.03 0.00 -1.05 0.00 0.00 32.46 30.30 3iix n ARG 64 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3iix s LYS 65 N -3.15 2.65 -0.15 2.89 1.02 -1.26 -4.82 119.74 116.92 3iix s LYS 65 Ca 0.07 -0.85 0.19 0.00 0.02 0.00 0.00 55.97 55.41 3iix s LYS 65 Cb 0.13 -2.55 0.45 0.00 -0.52 0.00 0.00 37.83 35.34 3iix s LYS 65 CO 0.69 -0.58 1.17 -1.71 -0.92 0.00 0.00 175.35 174.00 3iix n ASN 66 N -2.21 1.85 -4.62 2.83 5.15 -1.26 -0.81 115.26 116.19 3iix n ASN 66 Ca 0.07 -2.73 -0.47 0.00 -0.60 0.00 0.00 54.58 50.85 3iix n ASN 66 Cb 0.59 -0.40 -0.04 0.00 -0.53 0.00 0.00 39.78 39.40 3iix n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iix h LEU 68 N 3.87 0.00 0.00 0.00 4.07 -1.17 -2.90 115.31 119.17 3iix h LEU 68 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 3iix h LEU 68 Cb 1.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.05 3iix h LEU 68 CO 0.73 0.14 -0.67 0.00 -1.08 0.00 0.00 178.44 177.56 3iix n TYR 69 N -3.40 0.43 -3.78 1.13 0.18 -1.26 -3.83 117.16 106.63 3iix n TYR 69 Ca -0.01 0.13 -0.35 0.00 1.88 0.00 0.00 57.90 59.55 3iix n TYR 69 Cb 0.32 -0.57 -0.09 0.00 -0.38 0.00 0.00 39.34 38.62 3iix n TYR 69 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3iix n GLY 71 N 3.74 -0.96 0.75 0.00 0.00 -0.17 -1.90 105.19 106.66 3iix n GLY 71 Ca -0.16 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3iix n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iix n LEU 72 N -2.13 2.30 -4.59 0.99 4.77 -1.26 -4.89 117.00 112.19 3iix n LEU 72 Ca 0.00 -0.87 -0.40 0.00 -0.03 0.00 0.00 56.01 54.71 3iix n LEU 72 Cb 0.10 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3iix n LEU 72 CO 0.12 0.44 0.48 -2.11 -1.33 0.00 0.00 177.39 174.98 3iix n ARG 73 N 0.76 1.05 0.18 3.23 1.85 -0.80 -4.38 116.66 118.55 3iix n ARG 73 Ca 0.17 0.39 0.06 0.00 -1.00 0.00 0.00 57.85 57.47 3iix n ARG 73 Cb 0.46 -2.02 0.55 0.00 -1.05 0.00 0.00 32.46 30.40 3iix n ARG 73 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 3iix h ARG 74 N 0.97 0.15 0.00 2.89 0.11 -1.13 -0.75 114.38 116.62 3iix h ARG 74 Ca -0.46 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.61 3iix h ARG 74 Cb 1.36 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.41 3iix h ARG 74 CO 0.53 0.14 0.00 -0.25 0.10 0.00 0.00 179.97 180.49 3iix n ASP 75 N -4.48 0.00 -4.55 0.08 8.00 -1.26 -4.61 116.55 109.73 3iix n ASP 75 Ca -0.01 0.24 -0.41 0.00 0.71 0.00 0.00 54.79 55.31 3iix n ASP 75 Cb 0.12 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 3iix n ASP 75 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3iix s ASN 76 N -2.76 6.19 0.09 -2.24 2.47 -0.29 -4.82 114.94 113.58 3iix s ASN 76 Ca 0.13 -0.39 0.27 0.00 0.42 0.00 0.00 52.86 53.30 3iix s ASN 76 Cb 0.12 -2.56 0.94 0.00 -1.45 0.00 0.00 41.25 38.30 3iix s ASN 76 CO 0.30 -1.80 1.78 0.29 -3.72 0.00 0.00 177.10 173.95 3iix n LYS 77 N 9.26 0.13 -1.28 0.43 5.02 -1.26 -4.25 118.16 126.21 3iix n LYS 77 Ca 0.04 0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 3iix n LYS 77 Cb 0.49 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 3iix n LYS 77 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3iix n ASN 78 N -1.85 6.21 -3.67 4.39 5.15 -1.26 -4.79 115.26 119.43 3iix n ASN 78 Ca 0.06 -3.03 -0.08 0.00 -0.60 0.00 0.00 54.58 50.93 3iix n ASN 78 Cb 0.38 -1.24 -0.09 0.00 -0.53 0.00 0.00 39.78 38.30 3iix n ASN 78 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3iix s LEU 79 N -1.66 -0.49 -0.09 1.20 2.96 -1.26 -5.09 118.68 114.25 3iix s LEU 79 Ca 0.55 1.11 -0.30 0.00 -0.22 0.00 0.00 54.13 55.27 3iix s LEU 79 Cb 0.34 1.65 -0.03 0.00 0.50 0.00 0.00 46.19 48.66 3iix s LEU 79 CO -0.14 -0.21 1.21 -0.54 -1.32 0.00 0.00 176.35 175.34 3iix s LYS 80 N 1.85 4.32 0.17 1.98 1.02 -1.26 -5.02 119.74 122.80 3iix s LYS 80 Ca -0.08 1.66 -0.14 0.00 0.02 0.00 0.00 55.97 57.43 3iix s LYS 80 Cb -0.09 -3.62 -0.07 0.00 -0.52 0.00 0.00 37.83 33.53 3iix s LYS 80 CO -0.15 -0.52 0.58 1.03 -0.92 0.00 0.00 175.35 175.37 3iix s ARG 81 N 2.61 4.00 0.04 1.68 1.81 -1.26 -4.94 118.95 122.89 3iix s ARG 81 Ca 0.55 0.52 -0.01 0.00 -1.72 0.00 0.00 55.73 55.07 3iix s ARG 81 Cb -0.23 -2.87 -0.03 0.00 -0.45 0.00 0.00 34.95 31.36 3iix s ARG 81 CO 0.19 0.44 -0.02 1.52 -0.68 0.00 0.00 175.30 176.75 3iix s TYR 82 N -1.53 0.45 -0.04 -0.53 -0.85 -1.26 -5.04 117.35 108.55 3iix s TYR 82 Ca 0.40 -0.93 -0.01 0.00 -0.52 0.00 0.00 57.07 56.00 3iix s TYR 82 Cb -0.15 -0.33 0.03 0.00 0.38 0.00 0.00 41.96 41.89 3iix s TYR 82 CO 0.19 -0.35 0.04 1.03 -1.52 0.00 0.00 175.55 174.95 3iix s ARG 83 N -3.40 0.08 0.39 -3.49 0.52 -1.26 -2.61 118.95 109.17 3iix s ARG 83 Ca 0.02 0.27 -0.25 0.00 -0.52 0.00 0.00 55.73 55.25 3iix s ARG 83 Cb 0.04 -0.54 -0.09 0.00 0.52 0.00 0.00 34.95 34.88 3iix s ARG 83 CO -0.08 -0.28 1.11 -1.64 0.02 0.00 0.00 175.30 174.43 3iix s MET 84 N 1.84 4.16 0.63 3.54 -1.94 0.10 -5.02 119.30 122.62 3iix s MET 84 Ca 0.01 1.69 -0.15 0.00 -1.71 0.00 0.00 55.69 55.54 3iix s MET 84 Cb -0.12 -2.68 -0.02 0.00 2.01 0.00 0.00 34.83 34.02 3iix s MET 84 CO -0.03 -0.18 1.07 0.95 -0.01 0.00 0.00 175.02 176.81 3iix s THR 85 N -1.49 3.72 0.34 2.05 -4.23 -1.26 -4.86 115.64 109.92 3iix s THR 85 Ca 0.56 0.76 0.07 0.00 -1.18 0.00 0.00 61.69 61.90 3iix s THR 85 Cb -0.27 -3.32 0.31 0.00 1.34 0.00 0.00 72.50 70.56 3iix s THR 85 CO 0.34 -0.53 1.88 -0.65 -0.54 0.00 0.00 174.62 175.11 3iix h PRO 86 N 0.14 0.75 -0.43 3.99 0.11 -1.97 -0.79 132.00 133.80 3iix h PRO 86 Ca -0.46 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3iix h PRO 86 Cb 1.22 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3iix h PRO 86 CO 0.56 0.50 0.01 0.93 -0.21 0.00 0.00 178.00 179.80 3iix h GLU 87 N 0.78 0.76 -0.80 1.05 3.07 -1.99 -1.09 114.58 116.35 3iix h GLU 87 Ca 0.44 -0.23 0.02 0.00 -0.50 0.00 0.00 59.36 59.08 3iix h GLU 87 Cb 0.59 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 3iix h GLU 87 CO -0.20 0.82 0.52 0.93 -1.40 0.00 0.00 179.01 179.68 3iix h GLU 88 N 0.60 1.01 -0.23 2.33 5.08 -1.74 -1.13 114.58 120.50 3iix h GLU 88 Ca 0.12 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3iix h GLU 88 Cb 0.47 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3iix h GLU 88 CO 0.02 0.67 -0.10 0.82 -1.00 0.00 0.00 179.01 179.42 3iix h ILE 89 N 1.04 1.30 -0.51 3.13 2.04 -0.82 -0.29 117.51 123.40 3iix h ILE 89 Ca 0.31 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 3iix h ILE 89 Cb -0.05 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3iix h ILE 89 CO -0.09 0.36 0.22 0.58 0.00 0.00 0.00 178.15 179.21 3iix h VAL 90 N 0.19 1.21 -0.03 1.67 2.07 -1.09 -0.10 116.25 120.17 3iix h VAL 90 Ca 0.05 -0.62 -0.14 0.00 0.82 0.00 0.00 66.70 66.81 3iix h VAL 90 Cb 0.59 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3iix h VAL 90 CO 0.03 0.24 -0.64 -0.33 0.02 0.00 0.00 177.57 176.89 3iix h GLU 91 N 0.68 0.13 -0.44 1.57 4.39 -1.11 0.17 114.58 119.96 3iix h GLU 91 Ca 0.17 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 3iix h GLU 91 Cb 0.17 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3iix h GLU 91 CO -0.02 0.72 0.10 -0.09 -1.16 0.00 0.00 179.01 178.56 3iix h ARG 92 N 0.09 0.71 -0.65 2.33 9.65 -0.74 -1.32 114.38 124.45 3iix h ARG 92 Ca -0.01 -0.18 0.02 0.00 -1.10 0.00 0.00 59.98 58.72 3iix h ARG 92 Cb 1.14 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.60 3iix h ARG 92 CO 0.09 0.72 0.41 0.00 2.80 0.00 0.00 179.97 184.00 3iix h ALA 93 N 0.96 0.84 -0.77 2.80 0.00 -0.67 -1.83 119.26 120.59 3iix h ALA 93 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3iix h ALA 93 Cb 0.34 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3iix h ALA 93 CO 0.00 0.19 0.50 -0.09 0.00 0.00 0.00 179.25 179.86 3iix h ARG 94 N 0.82 0.98 -0.77 0.00 2.43 -0.65 -0.67 114.38 116.52 3iix h ARG 94 Ca 0.26 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3iix h ARG 94 Cb -0.02 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.27 3iix h ARG 94 CO -0.09 0.65 0.44 1.25 -1.51 0.00 0.00 179.97 180.71 3iix h LEU 95 N 1.01 0.96 -0.69 3.80 5.85 -0.87 0.39 115.31 125.76 3iix h LEU 95 Ca 0.29 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3iix h LEU 95 Cb -0.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 3iix h LEU 95 CO -0.08 0.77 0.40 0.00 -0.34 0.00 0.00 178.44 179.19 3iix h ALA 96 N 1.23 0.88 -0.68 1.25 0.00 -0.51 -0.92 119.26 120.51 3iix h ALA 96 Ca 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3iix h ALA 96 Cb 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3iix h ALA 96 CO -0.05 0.37 0.20 0.28 0.00 0.00 0.00 179.25 180.05 3iix h VAL 97 N 0.94 1.25 -0.18 0.00 2.07 -0.70 -0.56 116.25 119.06 3iix h VAL 97 Ca 0.24 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3iix h VAL 97 Cb -0.00 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3iix h VAL 97 CO -0.04 0.34 0.11 1.56 0.02 0.00 0.00 177.57 179.55 3iix h GLN 98 N 1.00 0.24 -0.05 1.57 4.20 -0.48 -1.23 115.11 120.36 3iix h GLN 98 Ca 0.22 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3iix h GLN 98 Cb 0.30 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3iix h GLN 98 CO -0.01 0.17 0.00 1.19 -0.67 0.00 0.00 178.83 179.51 3iix n PHE 99 N -4.50 0.06 0.00 2.96 3.01 -0.39 -4.92 117.46 113.69 3iix n PHE 99 Ca -0.00 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3iix n PHE 99 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 3iix n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iix n GLY 100 N 1.04 0.65 3.73 1.37 0.00 -0.46 -4.95 105.19 106.58 3iix n GLY 100 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3iix n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iix s ALA 101 N -2.00 3.64 -0.66 4.61 0.00 -0.31 -4.90 121.76 122.14 3iix s ALA 101 Ca 0.00 1.27 0.20 0.00 0.00 0.00 0.00 51.96 53.43 3iix s ALA 101 Cb 0.00 -3.56 -0.25 0.00 0.00 0.00 0.00 23.12 19.31 3iix s ALA 101 CO 0.00 -0.70 0.73 1.63 0.00 0.00 0.00 175.76 177.42 3iix n LYS 102 N 3.00 0.46 -4.31 0.00 5.02 -1.26 -4.40 118.16 116.67 3iix n LYS 102 Ca 0.09 -0.06 -0.19 0.00 -2.02 0.00 0.00 58.31 56.13 3iix n LYS 102 Cb 0.40 -1.46 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 3iix n LYS 102 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iix s THR 103 N -3.06 0.67 -0.19 -0.18 2.01 -1.25 -1.58 115.64 112.05 3iix s THR 103 Ca 0.03 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 3iix s THR 103 Cb 0.15 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 3iix s THR 103 CO 0.83 0.22 0.00 -0.63 -0.69 0.00 0.00 174.62 174.35 3iix s ILE 104 N 0.27 4.08 -0.22 1.82 -1.09 -0.14 -1.61 121.20 124.30 3iix s ILE 104 Ca -0.04 -0.28 -0.07 0.00 -2.23 0.00 0.00 60.65 58.03 3iix s ILE 104 Cb -0.08 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 3iix s ILE 104 CO 0.00 0.45 0.06 -0.69 -1.23 0.00 0.00 174.94 173.54 3iix s VAL 105 N 0.75 4.45 -0.25 2.92 1.01 0.22 -0.89 120.40 128.60 3iix s VAL 105 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 3iix s VAL 105 Cb -0.14 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3iix s VAL 105 CO 0.02 0.38 0.09 -0.76 0.00 0.00 0.00 175.10 174.83 3iix s LEU 106 N 1.19 3.53 0.04 3.92 1.43 -0.12 -0.72 118.68 127.94 3iix s LEU 106 Ca 0.04 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3iix s LEU 106 Cb -0.14 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 3iix s LEU 106 CO 0.03 -0.03 -0.14 -1.58 0.23 0.00 0.00 176.35 174.86 3iix s GLN 107 N 1.59 0.95 0.23 1.70 0.74 -0.70 -0.59 119.66 123.58 3iix s GLN 107 Ca 0.06 -0.76 -0.16 0.00 0.05 0.00 0.00 55.36 54.55 3iix s GLN 107 Cb -0.15 -0.96 0.01 0.00 1.10 0.00 0.00 33.01 33.01 3iix s GLN 107 CO 0.05 0.24 0.53 -1.54 -0.55 0.00 0.00 175.29 174.01 3iix s SER 108 N -1.13 -0.18 1.14 6.67 1.04 -1.10 -1.47 113.70 118.68 3iix s SER 108 Ca 0.02 -0.70 -0.13 0.00 0.48 0.00 0.00 55.95 55.62 3iix s SER 108 Cb -0.08 0.60 0.27 0.00 0.10 0.00 0.00 66.02 66.92 3iix s SER 108 CO 0.01 -1.14 1.04 -0.83 0.98 0.00 0.00 173.24 173.30 3iix s GLY 109 N -2.94 1.55 -1.14 7.32 0.00 -0.84 -4.65 107.32 106.61 3iix s GLY 109 Ca 0.15 -0.11 -0.21 0.00 0.00 0.00 0.00 44.72 44.54 3iix s GLY 109 CO 0.04 0.59 1.77 -0.54 0.00 0.00 0.00 173.10 174.96 3iix s GLU 110 N -4.51 3.23 -0.45 2.90 2.02 -1.22 -4.82 118.70 115.86 3iix s GLU 110 Ca 0.68 -1.29 -0.14 0.00 0.02 0.00 0.00 54.97 54.24 3iix s GLU 110 Cb -0.24 -5.34 0.06 0.00 0.10 0.00 0.00 34.13 28.71 3iix s GLU 110 CO 0.64 -2.95 0.34 0.34 0.02 0.00 0.00 175.26 173.65 3iix s ASP 111 N 5.69 6.03 0.58 -0.19 -1.08 -1.21 -1.67 116.67 124.82 3iix s ASP 111 Ca 0.59 -1.25 0.28 0.00 -0.52 0.00 0.00 52.55 51.66 3iix s ASP 111 Cb 0.00 -2.14 1.53 0.00 -1.46 0.00 0.00 42.92 40.85 3iix s ASP 111 CO 0.04 -0.57 1.97 -0.65 0.52 0.00 0.00 175.17 176.48 3iix h PRO 112 N 8.65 0.00 -0.12 4.34 0.11 -1.90 -3.38 132.00 139.71 3iix h PRO 112 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3iix h PRO 112 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3iix h PRO 112 CO 0.82 0.00 0.00 0.98 -0.21 0.00 0.00 178.00 179.59 3iix n TYR 113 N -3.82 0.00 -1.89 0.65 9.36 -1.26 -4.82 117.16 115.38 3iix n TYR 113 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 3iix n TYR 113 Cb 0.55 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 3iix n TYR 113 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3iix n MET 115 N 0.37 -4.54 0.03 2.98 2.81 -1.26 -4.86 117.12 112.65 3iix n MET 115 Ca 0.00 3.27 0.11 0.00 -1.81 0.00 0.00 57.70 59.27 3iix n MET 115 Cb 0.00 -3.68 -0.03 0.00 -0.71 0.00 0.00 33.22 28.80 3iix n MET 115 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3iix n PRO 116 N 0.71 0.41 0.03 0.03 -0.04 -1.26 -4.92 135.00 129.97 3iix n PRO 116 Ca 0.00 -0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.32 3iix n PRO 116 Cb 0.00 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 3iix n PRO 116 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3iix h ASP 117 N 0.00 0.59 -0.44 3.54 3.32 -1.97 -2.28 116.42 119.17 3iix h ASP 117 Ca 0.00 -0.39 -0.06 0.00 0.02 0.00 0.00 57.03 56.60 3iix h ASP 117 Cb 0.83 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3iix h ASP 117 CO 0.00 1.14 0.03 0.58 -1.72 0.00 0.00 179.24 179.27 3iix h VAL 118 N 0.33 1.25 -0.29 -1.35 2.07 -1.91 -1.27 116.25 115.10 3iix h VAL 118 Ca -0.04 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.55 3iix h VAL 118 Cb 1.33 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 3iix h VAL 118 CO 0.13 0.34 0.03 0.40 0.02 0.00 0.00 177.57 178.49 3iix h ILE 119 N 0.61 0.83 -0.71 4.57 1.08 -1.94 -1.30 117.51 120.65 3iix h ILE 119 Ca 0.13 -0.04 0.08 0.00 -0.39 0.00 0.00 64.86 64.63 3iix h ILE 119 Cb 0.44 0.69 -0.07 0.00 -3.07 0.00 0.00 36.82 34.82 3iix h ILE 119 CO 0.02 0.02 0.37 0.28 -0.69 0.00 0.00 178.15 178.15 3iix h SER 120 N 0.13 0.52 -0.45 1.72 0.02 -1.08 0.36 113.55 114.76 3iix h SER 120 Ca 0.14 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3iix h SER 120 Cb 0.16 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3iix h SER 120 CO -0.20 0.31 0.19 0.44 -1.14 0.00 0.00 176.83 176.44 3iix h ASP 121 N 0.66 0.61 -0.30 3.07 3.32 -0.76 -1.09 116.42 121.93 3iix h ASP 121 Ca 0.34 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3iix h ASP 121 Cb 0.30 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3iix h ASP 121 CO -0.23 0.60 0.13 0.40 -1.72 0.00 0.00 179.24 178.42 3iix h ILE 122 N 0.59 1.16 -0.33 0.35 2.04 -0.64 -2.40 117.51 118.28 3iix h ILE 122 Ca 0.15 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.56 3iix h ILE 122 Cb 0.17 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3iix h ILE 122 CO -0.01 0.17 0.17 0.58 0.00 0.00 0.00 178.15 179.05 3iix h VAL 123 N 0.34 1.00 -0.71 1.67 2.07 -0.78 -1.03 116.25 118.81 3iix h VAL 123 Ca 0.10 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.57 3iix h VAL 123 Cb 0.14 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3iix h VAL 123 CO -0.01 0.06 0.40 0.11 0.02 0.00 0.00 177.57 178.15 3iix h LYS 124 N 0.35 0.70 -0.50 1.57 1.57 -1.05 0.48 116.57 119.69 3iix h LYS 124 Ca 0.14 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 3iix h LYS 124 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3iix h LYS 124 CO -0.09 0.46 -0.15 0.93 -0.57 0.00 0.00 179.45 180.04 3iix h GLU 125 N 0.72 0.99 -0.27 3.15 4.39 -0.94 -2.95 114.58 119.67 3iix h GLU 125 Ca 0.32 -0.39 -0.18 0.00 0.34 0.00 0.00 59.36 59.46 3iix h GLU 125 Cb 0.22 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3iix h GLU 125 CO -0.20 1.07 -0.53 0.82 -1.16 0.00 0.00 179.01 179.01 3iix h ILE 126 N 0.85 1.29 -0.16 3.13 2.04 -0.77 -2.87 117.51 121.01 3iix h ILE 126 Ca 0.12 -1.72 0.05 0.00 1.00 0.00 0.00 64.86 64.30 3iix h ILE 126 Cb 0.72 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3iix h ILE 126 CO 0.05 0.56 0.13 0.11 0.00 0.00 0.00 178.15 179.00 3iix h LYS 127 N 0.61 0.00 0.00 2.37 1.79 -0.82 -0.31 116.57 120.22 3iix h LYS 127 Ca 0.02 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3iix h LYS 127 Cb 1.11 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3iix h LYS 127 CO 0.11 0.00 -0.00 0.87 -1.08 0.00 0.00 179.45 179.35 3iix h LYS 128 N 0.00 0.00 -0.14 3.15 1.57 -1.33 -1.84 116.57 117.97 3iix h LYS 128 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3iix h LYS 128 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3iix h LYS 128 CO -0.00 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.55 3iix n MET 129 N -3.25 1.58 -2.36 3.15 2.81 -0.13 -4.92 117.12 114.00 3iix n MET 129 Ca -0.03 -0.87 -0.06 0.00 -1.81 0.00 0.00 57.70 54.94 3iix n MET 129 Cb 0.08 -1.36 0.01 0.00 -0.71 0.00 0.00 33.22 31.24 3iix n MET 129 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iix n GLY 130 N 1.05 0.30 3.49 3.03 0.00 -0.69 -5.05 105.19 107.31 3iix n GLY 130 Ca 0.15 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 3iix n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iix s VAL 131 N -2.58 1.90 0.39 1.61 -7.23 -1.26 -5.07 120.40 108.16 3iix s VAL 131 Ca 0.06 -2.15 -0.24 0.00 -1.81 0.00 0.00 61.98 57.84 3iix s VAL 131 Cb -0.03 -2.57 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 3iix s VAL 131 CO 0.07 -0.23 1.04 0.00 -0.31 0.00 0.00 175.10 175.67 3iix s ALA 132 N -2.84 3.10 -0.11 1.32 0.00 -0.62 -4.75 121.76 117.87 3iix s ALA 132 Ca 0.31 0.69 0.04 0.00 0.00 0.00 0.00 51.96 53.00 3iix s ALA 132 Cb 0.04 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3iix s ALA 132 CO 0.14 -0.18 -0.23 0.08 0.00 0.00 0.00 175.76 175.57 3iix s VAL 133 N -1.65 2.06 -0.10 0.00 1.01 -1.26 -0.96 120.40 119.49 3iix s VAL 133 Ca 0.57 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3iix s VAL 133 Cb -0.22 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 3iix s VAL 133 CO 0.27 0.56 -0.17 -0.89 0.00 0.00 0.00 175.10 174.87 3iix s THR 134 N 0.47 2.72 0.01 3.92 2.01 -0.07 -0.60 115.64 124.09 3iix s THR 134 Ca -0.16 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.05 3iix s THR 134 Cb -0.17 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 3iix s THR 134 CO 0.06 0.55 0.04 -0.76 -0.69 0.00 0.00 174.62 173.82 3iix s LEU 135 N 0.09 3.71 -0.43 4.42 1.43 -0.26 -0.94 118.68 126.69 3iix s LEU 135 Ca -0.08 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 3iix s LEU 135 Cb -0.15 -2.18 0.18 0.00 0.03 0.00 0.00 46.19 44.07 3iix s LEU 135 CO 0.05 0.26 0.46 -0.24 0.23 0.00 0.00 176.35 177.11 3iix n SER 136 N 1.18 -1.17 -0.10 2.29 2.88 0.24 -0.82 113.62 118.12 3iix n SER 136 Ca -0.13 -2.55 0.01 0.00 -1.33 0.00 0.00 58.87 54.87 3iix n SER 136 Cb 0.53 0.02 0.01 0.00 -0.75 0.00 0.00 64.21 64.02 3iix n SER 136 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3iix n LEU 137 N 2.70 1.37 0.00 2.46 4.77 -1.26 -2.70 117.00 124.34 3iix n LEU 137 Ca 0.26 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3iix n LEU 137 Cb 0.51 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3iix n LEU 137 CO 0.07 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3iix n GLY 138 N 0.06 -1.03 3.63 -0.72 0.00 -1.26 -4.39 105.19 101.49 3iix n GLY 138 Ca 0.02 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 3iix n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iix s GLU 139 N 0.00 4.09 0.13 1.61 2.02 -1.26 -5.05 118.70 120.24 3iix s GLU 139 Ca 0.00 0.17 -0.03 0.00 0.02 0.00 0.00 54.97 55.13 3iix s GLU 139 Cb 0.00 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 3iix s GLU 139 CO 0.00 -0.20 0.11 -1.58 0.02 0.00 0.00 175.26 173.61 3iix s TRP 140 N 1.84 0.68 0.71 1.61 0.52 -1.26 -5.11 118.94 117.92 3iix s TRP 140 Ca 0.18 -1.07 -0.16 0.00 0.02 0.00 0.00 56.10 55.07 3iix s TRP 140 Cb -0.15 -0.34 0.01 0.00 -1.15 0.00 0.00 33.47 31.83 3iix s TRP 140 CO 0.09 -0.56 1.09 -2.30 0.02 0.00 0.00 176.95 175.29 3iix n PRO 141 N -0.10 0.63 -0.32 4.98 -0.02 -1.26 -4.82 135.00 134.09 3iix n PRO 141 Ca -0.07 0.28 0.14 0.00 -2.02 0.00 0.00 63.50 61.83 3iix n PRO 141 Cb 0.63 -2.33 0.37 0.00 -0.02 0.00 0.00 33.50 32.15 3iix n PRO 141 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3iix h ARG 142 N -0.11 0.66 -0.70 -0.52 2.43 -2.01 -0.41 114.38 113.72 3iix h ARG 142 Ca -0.48 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.68 3iix h ARG 142 Cb 1.33 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 3iix h ARG 142 CO 0.49 0.44 0.46 0.93 -1.51 0.00 0.00 179.97 180.78 3iix h GLU 143 N 0.68 0.82 -0.13 0.20 3.07 -1.99 0.70 114.58 117.94 3iix h GLU 143 Ca 0.54 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.31 3iix h GLU 143 Cb 0.94 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3iix h GLU 143 CO -0.31 0.54 -0.07 1.88 -1.40 0.00 0.00 179.01 179.65 3iix h TYR 144 N 0.84 0.32 -0.99 4.33 -1.99 -1.42 -1.29 116.97 116.77 3iix h TYR 144 Ca 0.28 -0.08 0.07 0.00 2.00 0.00 0.00 58.73 61.00 3iix h TYR 144 Cb 0.07 -0.07 -0.07 0.00 2.00 0.00 0.00 36.73 38.66 3iix h TYR 144 CO -0.00 0.62 0.64 1.88 -0.00 0.00 0.00 178.16 181.30 3iix h TYR 145 N -0.08 1.17 -0.36 4.88 0.05 -1.18 -0.80 116.97 120.65 3iix h TYR 145 Ca 0.03 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 3iix h TYR 145 Cb 0.55 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 3iix h TYR 145 CO 0.07 0.60 -0.03 1.49 -1.05 0.00 0.00 178.16 179.23 3iix h GLU 146 N 1.14 0.65 -0.94 4.88 4.81 -0.75 -1.62 114.58 122.75 3iix h GLU 146 Ca 0.43 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3iix h GLU 146 Cb 0.20 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 3iix h GLU 146 CO -0.18 0.79 0.62 0.87 -0.73 0.00 0.00 179.01 180.38 3iix h LYS 147 N 0.46 1.22 -0.22 1.92 1.57 -0.60 -0.88 116.57 120.03 3iix h LYS 147 Ca 0.10 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3iix h LYS 147 Cb 0.51 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3iix h LYS 147 CO 0.02 0.81 -0.38 -1.49 -0.57 0.00 0.00 179.45 177.84 3iix h TRP 148 N 1.26 0.57 -0.24 -1.35 6.55 -1.01 -0.41 115.95 121.32 3iix h TRP 148 Ca 0.35 -0.16 -0.05 0.00 0.95 0.00 0.00 58.89 59.98 3iix h TRP 148 Cb -0.12 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.04 3iix h TRP 148 CO -0.01 0.80 -0.05 -0.22 -1.05 0.00 0.00 178.44 177.91 3iix h LYS 149 N 0.41 0.47 -0.37 0.49 1.63 -0.97 -1.57 116.57 116.65 3iix h LYS 149 Ca 0.04 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.66 3iix h LYS 149 Cb 0.85 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 3iix h LYS 149 CO 0.07 0.68 0.21 0.93 -3.45 0.00 0.00 179.45 177.90 3iix h GLU 150 N 0.21 0.49 0.00 1.90 5.08 -0.96 -1.64 114.58 119.66 3iix h GLU 150 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3iix h GLU 150 Cb 0.51 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3iix h GLU 150 CO 0.02 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 178.39 3iix h ALA 151 N 1.73 1.00 0.00 3.43 0.00 -0.82 -3.46 119.26 121.14 3iix h ALA 151 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iix h ALA 151 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iix h ALA 151 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3iix n GLY 152 N 0.01 1.21 3.76 0.00 0.00 -0.62 -3.93 105.19 105.63 3iix n GLY 152 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3iix n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iix n ALA 153 N -0.15 2.18 -0.09 4.61 0.00 -0.62 -4.76 120.51 121.67 3iix n ALA 153 Ca 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 3iix n ALA 153 Cb 0.00 -2.39 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 3iix n ALA 153 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iix n ASP 154 N 0.77 1.71 -4.11 0.00 8.00 0.23 -4.67 116.55 118.48 3iix n ASP 154 Ca 0.03 -0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 3iix n ASP 154 Cb 0.38 -0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 3iix n ASP 154 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3iix s ARG 155 N -2.53 0.67 -0.04 -1.24 0.52 -0.87 -1.90 118.95 113.57 3iix s ARG 155 Ca -0.28 -1.20 -0.01 0.00 -0.52 0.00 0.00 55.73 53.72 3iix s ARG 155 Cb 0.08 0.03 0.03 0.00 0.52 0.00 0.00 34.95 35.61 3iix s ARG 155 CO 0.67 -0.06 0.07 -0.47 0.02 0.00 0.00 175.30 175.53 3iix s TYR 156 N -3.53 -0.03 -0.25 -0.53 5.04 -0.46 -1.10 117.35 116.49 3iix s TYR 156 Ca 0.07 0.27 -0.09 0.00 -2.44 0.00 0.00 57.07 54.88 3iix s TYR 156 Cb 0.05 -0.23 -0.04 0.00 0.35 0.00 0.00 41.96 42.09 3iix s TYR 156 CO -0.07 -0.13 0.12 -0.51 -1.34 0.00 0.00 175.55 173.62 3iix s LEU 157 N 1.31 3.78 -0.41 6.97 1.43 -0.00 -0.78 118.68 130.97 3iix s LEU 157 Ca -0.07 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3iix s LEU 157 Cb -0.12 -2.02 0.17 0.00 0.03 0.00 0.00 46.19 44.24 3iix s LEU 157 CO -0.04 0.00 0.40 -0.22 0.23 0.00 0.00 176.35 176.72 3iix s LEU 158 N 1.42 0.53 0.31 1.79 2.96 0.05 -4.47 118.68 121.27 3iix s LEU 158 Ca 0.06 -2.40 -0.29 0.00 -0.22 0.00 0.00 54.13 51.28 3iix s LEU 158 Cb -0.15 0.19 -0.13 0.00 0.50 0.00 0.00 46.19 46.61 3iix s LEU 158 CO 0.06 -0.19 1.33 0.54 -1.32 0.00 0.00 176.35 176.77 3iix n ARG 159 N 3.33 2.13 0.15 1.98 1.74 -1.26 -4.29 116.66 120.43 3iix n ARG 159 Ca 0.21 0.75 0.13 0.00 -0.77 0.00 0.00 57.85 58.17 3iix n ARG 159 Cb 0.47 -2.36 0.44 0.00 -1.02 0.00 0.00 32.46 29.99 3iix n ARG 159 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 3iix h HIS 160 N 3.08 0.00 0.00 -1.55 2.07 -0.98 -3.45 115.15 114.31 3iix h HIS 160 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3iix h HIS 160 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 3iix h HIS 160 CO 0.52 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.77 3iix n GLU 161 N -2.46 0.00 -3.65 5.12 -0.58 -0.14 -4.58 120.64 114.35 3iix n GLU 161 Ca 0.04 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 3iix n GLU 161 Cb 0.36 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.15 3iix n GLU 161 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3iix s THR 162 N 0.00 -0.00 -2.28 2.62 -1.32 -1.26 -2.30 115.64 111.10 3iix s THR 162 Ca 0.00 0.01 0.25 0.00 -1.21 0.00 0.00 61.69 60.74 3iix s THR 162 Cb 0.00 -0.90 0.58 0.00 -1.51 0.00 0.00 72.50 70.67 3iix s THR 162 CO 0.00 0.00 1.76 0.00 -2.21 0.00 0.00 174.62 174.17 3iix n ALA 163 N 3.29 2.58 -2.57 11.08 0.00 -1.26 -4.70 120.51 128.93 3iix n ALA 163 Ca -0.16 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 3iix n ALA 163 Cb 0.56 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 3iix n ALA 163 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3iix s ASN 164 N -1.81 6.51 0.43 0.00 3.84 -1.26 -4.93 114.94 117.71 3iix s ASN 164 Ca 0.37 0.16 0.14 0.00 0.21 0.00 0.00 52.86 53.73 3iix s ASN 164 Cb 0.19 -2.42 0.94 0.00 -0.55 0.00 0.00 41.25 39.41 3iix s ASN 164 CO 0.30 -0.92 1.96 -0.65 -2.79 0.00 0.00 177.10 175.01 3iix h PRO 165 N 8.84 0.01 -0.01 0.43 0.11 -1.99 0.27 132.00 139.66 3iix h PRO 165 Ca -0.24 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 3iix h PRO 165 Cb 1.08 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3iix h PRO 165 CO 0.98 0.22 -0.01 0.28 -0.21 0.00 0.00 178.00 179.26 3iix h VAL 166 N 0.01 1.39 -0.92 3.15 2.07 -1.97 -2.34 116.25 117.64 3iix h VAL 166 Ca 0.00 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 3iix h VAL 166 Cb 0.38 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 3iix h VAL 166 CO 0.03 0.31 0.54 0.25 0.02 0.00 0.00 177.57 178.71 3iix h LEU 167 N -0.45 1.13 -0.19 2.57 5.85 -1.92 -2.18 115.31 120.11 3iix h LEU 167 Ca 0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3iix h LEU 167 Cb 0.51 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3iix h LEU 167 CO 0.00 0.88 0.02 -0.74 -0.34 0.00 0.00 178.44 178.26 3iix h HIS 168 N 1.28 0.03 -0.46 1.25 2.76 -0.94 -0.88 115.15 118.19 3iix h HIS 168 Ca 0.33 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.44 3iix h HIS 168 Cb -0.03 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 3iix h HIS 168 CO 0.01 -0.00 -0.02 -0.09 -1.30 0.00 0.00 177.93 176.52 3iix h ARG 169 N 0.09 0.76 -0.52 5.26 9.65 -1.21 0.83 114.38 129.25 3iix h ARG 169 Ca 0.09 -0.21 -0.06 0.00 -1.10 0.00 0.00 59.98 58.70 3iix h ARG 169 Cb 0.10 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3iix h ARG 169 CO -0.13 0.79 0.09 0.87 2.80 0.00 0.00 179.97 184.38 3iix h LYS 170 N 0.71 0.86 0.00 0.20 1.57 -1.05 -3.13 116.57 115.73 3iix h LYS 170 Ca 0.14 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3iix h LYS 170 Cb 0.47 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3iix h LYS 170 CO 0.02 0.84 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.45 3iix h LEU 171 N 0.74 0.00 -6.17 2.94 3.38 -0.90 -3.39 115.31 111.92 3iix h LEU 171 Ca 0.16 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.55 3iix h LEU 171 Cb 0.40 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.75 3iix h LEU 171 CO 0.01 0.21 -0.89 0.54 0.09 0.00 0.00 178.44 178.40 3iix n ARG 172 N -3.15 1.35 0.00 1.13 1.74 0.26 -0.60 116.66 117.39 3iix n ARG 172 Ca 0.03 -3.79 0.06 0.00 -0.77 0.00 0.00 57.85 53.39 3iix n ARG 172 Cb 0.62 -1.67 0.30 0.00 -1.02 0.00 0.00 32.46 30.68 3iix n ARG 172 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3iix n PRO 173 N 1.39 0.06 0.00 5.56 -0.04 -1.19 -1.66 135.00 139.11 3iix n PRO 173 Ca 0.25 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 3iix n PRO 173 Cb 0.47 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.86 3iix n PRO 173 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3iix n ASP 174 N -1.44 0.38 0.00 3.54 8.00 -1.26 -4.98 116.55 120.79 3iix n ASP 174 Ca 0.04 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3iix n ASP 174 Cb 0.14 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3iix n ASP 174 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3iix n THR 175 N -1.36 0.00 -3.48 -3.53 5.66 -0.67 -5.13 114.28 105.77 3iix n THR 175 Ca 0.08 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.97 3iix n THR 175 Cb 0.33 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.09 3iix n THR 175 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3iix s SER 176 N 1.60 -0.50 0.25 1.09 1.04 -1.26 -4.71 113.70 111.21 3iix s SER 176 Ca 0.00 -0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 3iix s SER 176 Cb 0.00 0.57 0.29 0.00 0.10 0.00 0.00 66.02 66.98 3iix s SER 176 CO 0.00 -0.93 1.87 0.15 0.98 0.00 0.00 173.24 175.31 3iix h PHE 177 N 2.00 1.14 -0.49 5.02 3.57 -1.89 -1.12 116.94 125.16 3iix h PHE 177 Ca -0.30 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.23 3iix h PHE 177 Cb 1.29 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 3iix h PHE 177 CO 0.25 0.80 0.17 1.49 -2.23 0.00 0.00 178.31 178.79 3iix h GLU 178 N 1.15 0.34 -0.54 1.11 4.81 -1.95 0.11 114.58 119.60 3iix h GLU 178 Ca 0.29 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3iix h GLU 178 Cb 0.05 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3iix h GLU 178 CO -0.04 0.22 -0.04 -0.97 -0.73 0.00 0.00 179.01 177.45 3iix h ASN 179 N 0.35 0.98 -0.46 1.04 -1.24 -1.84 -1.29 115.58 113.13 3iix h ASN 179 Ca 0.24 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.92 3iix h ASN 179 Cb 0.25 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 3iix h ASN 179 CO -0.24 1.07 0.30 -0.09 -1.29 0.00 0.00 177.43 177.17 3iix h ARG 180 N 0.86 0.60 -0.53 6.67 9.65 -0.59 -2.54 114.38 128.52 3iix h ARG 180 Ca 0.15 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 3iix h ARG 180 Cb 0.59 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 3iix h ARG 180 CO 0.04 0.41 0.21 1.25 2.80 0.00 0.00 179.97 184.68 3iix h LEU 181 N 0.61 0.73 -1.80 3.80 5.85 -0.76 -1.75 115.31 121.99 3iix h LEU 181 Ca 0.17 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3iix h LEU 181 Cb -0.06 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3iix h LEU 181 CO -0.03 0.70 0.00 0.59 -0.34 0.00 0.00 178.44 179.35 3iix n ASN 182 N -4.53 0.00 0.00 1.25 3.02 -0.49 -0.70 115.26 113.81 3iix n ASN 182 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 3iix n ASN 182 Cb 0.16 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3iix n ASN 182 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3iix n LEU 184 N 0.83 0.00 -0.17 3.41 4.77 -0.66 -0.99 117.00 124.19 3iix n LEU 184 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3iix n LEU 184 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3iix n LEU 184 CO 0.00 0.00 0.85 -0.07 -1.33 0.00 0.00 177.39 176.84 3iix h LEU 185 N 0.00 0.94 -0.33 2.23 3.38 -1.19 -1.64 115.31 118.69 3iix h LEU 185 Ca 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3iix h LEU 185 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3iix h LEU 185 CO 0.00 0.99 0.10 0.74 0.09 0.00 0.00 178.44 180.36 3iix h THR 186 N 0.89 1.21 -0.44 0.22 2.02 -1.31 -0.72 112.91 114.78 3iix h THR 186 Ca 0.17 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.71 3iix h THR 186 Cb 0.51 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 3iix h THR 186 CO 0.02 0.23 0.22 -0.07 0.37 0.00 0.00 175.52 176.29 3iix h LEU 187 N 0.38 0.31 -0.61 2.58 3.38 -1.77 -1.07 115.31 118.51 3iix h LEU 187 Ca 0.11 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3iix h LEU 187 Cb 0.25 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3iix h LEU 187 CO -0.00 0.22 0.32 0.11 0.09 0.00 0.00 178.44 179.18 3iix h LYS 188 N 0.44 0.85 -0.39 1.13 6.56 -1.13 -2.45 116.57 121.57 3iix h LYS 188 Ca 0.19 -0.11 -0.02 0.00 -1.06 0.00 0.00 60.65 59.65 3iix h LYS 188 Cb 0.10 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.58 3iix h LYS 188 CO -0.14 0.66 0.17 1.49 -2.06 0.00 0.00 179.45 179.58 3iix h GLU 189 N 0.82 0.55 0.00 3.15 4.81 -0.61 -1.47 114.58 121.84 3iix h GLU 189 Ca 0.21 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3iix h GLU 189 Cb 0.07 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3iix h GLU 189 CO -0.03 0.45 0.00 1.28 -0.73 0.00 0.00 179.01 179.98 3iix n LEU 190 N -4.39 0.00 0.00 1.64 4.77 -0.45 -4.90 117.00 113.66 3iix n LEU 190 Ca 0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3iix n LEU 190 Cb 0.13 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3iix n LEU 190 CO 0.37 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3iix n GLY 191 N 1.20 0.84 3.76 -0.72 0.00 -0.55 -5.05 105.19 104.68 3iix n GLY 191 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3iix n GLY 191 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iix s TYR 192 N -2.07 2.65 -0.02 1.61 1.51 -0.95 -4.99 117.35 115.09 3iix s TYR 192 Ca 0.00 1.48 -0.30 0.00 -1.01 0.00 0.00 57.07 57.24 3iix s TYR 192 Cb 0.00 -3.53 -0.05 0.00 -0.11 0.00 0.00 41.96 38.27 3iix s TYR 192 CO 0.00 -2.02 1.36 -1.21 -1.11 0.00 0.00 175.55 172.57 3iix s GLU 193 N -2.79 4.29 -0.07 -0.62 2.02 -0.80 -4.54 118.70 116.19 3iix s GLU 193 Ca 0.67 1.90 0.05 0.00 0.02 0.00 0.00 54.97 57.60 3iix s GLU 193 Cb -0.33 -3.59 -0.02 0.00 0.10 0.00 0.00 34.13 30.30 3iix s GLU 193 CO 0.39 -0.56 -0.21 0.95 0.02 0.00 0.00 175.26 175.86 3iix s THR 194 N 2.44 2.44 -0.10 3.63 -4.23 -1.26 -1.35 115.64 117.21 3iix s THR 194 Ca 0.62 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 3iix s THR 194 Cb -0.30 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.60 3iix s THR 194 CO 0.25 0.57 -0.12 -0.83 -0.54 0.00 0.00 174.62 173.95 3iix s GLY 195 N -0.23 1.57 0.00 3.99 0.00 0.04 -1.75 107.32 110.94 3iix s GLY 195 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3iix s GLY 195 CO 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 173.10 172.71 3iix n ALA 196 N 2.98 0.00 0.00 3.20 0.00 -0.62 -0.77 120.51 125.30 3iix n ALA 196 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3iix n ALA 196 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3iix n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iix n GLY 197 N 4.77 1.21 3.53 0.00 0.00 -1.26 -1.07 105.19 112.38 3iix n GLY 197 Ca 0.00 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.79 3iix n GLY 197 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iix s SER 198 N 0.00 -0.31 0.15 1.61 1.04 -0.73 -0.38 113.70 115.08 3iix s SER 198 Ca 0.00 -0.40 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 3iix s SER 198 Cb 0.00 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 3iix s SER 198 CO 0.00 -1.06 0.38 -0.04 0.98 0.00 0.00 173.24 173.50 3iix s MET 199 N -3.85 3.61 -0.11 4.02 -1.94 -0.97 -2.82 119.30 117.24 3iix s MET 199 Ca 0.08 -0.11 0.02 0.00 -1.71 0.00 0.00 55.69 53.97 3iix s MET 199 Cb -0.01 -2.84 -0.01 0.00 2.01 0.00 0.00 34.83 33.97 3iix s MET 199 CO -0.04 0.46 -0.19 0.08 -0.01 0.00 0.00 175.02 175.32 3iix s VAL 200 N -1.69 2.56 0.00 -6.03 1.01 -0.34 -4.64 120.40 111.28 3iix s VAL 200 Ca 0.41 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3iix s VAL 200 Cb -0.12 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3iix s VAL 200 CO 0.25 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.51 3iix n GLY 201 N 3.41 0.77 3.74 4.51 0.00 -1.26 -1.17 105.19 115.18 3iix n GLY 201 Ca -0.18 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 3iix n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iix s LEU 202 N 0.00 3.71 0.19 0.99 1.43 -1.26 -4.28 118.68 119.45 3iix s LEU 202 Ca 0.00 2.64 -0.32 0.00 -1.03 0.00 0.00 54.13 55.43 3iix s LEU 202 Cb 0.00 -4.47 -0.11 0.00 0.03 0.00 0.00 46.19 41.64 3iix s LEU 202 CO 0.00 -1.75 1.71 -2.84 0.23 0.00 0.00 176.35 173.70 3iix s PRO 203 N -3.16 4.14 0.00 1.29 0.02 -1.26 -1.64 135.00 134.39 3iix s PRO 203 Ca 0.77 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.35 3iix s PRO 203 Cb -0.38 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 30.99 3iix s PRO 203 CO 0.42 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 3iix n GLY 204 N 3.97 1.46 3.76 0.52 0.00 -1.26 -5.04 105.19 108.60 3iix n GLY 204 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3iix n GLY 204 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iix s GLN 205 N -0.46 4.65 0.42 1.61 0.74 -0.65 -5.06 119.66 120.90 3iix s GLN 205 Ca 0.00 1.27 0.07 0.00 0.05 0.00 0.00 55.36 56.75 3iix s GLN 205 Cb 0.00 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 3iix s GLN 205 CO 0.00 0.45 0.25 0.95 -0.55 0.00 0.00 175.29 176.39 3iix s THR 206 N -0.78 2.37 0.22 -0.34 -4.23 -1.26 -4.86 115.64 106.76 3iix s THR 206 Ca 0.39 -1.58 -0.08 0.00 -1.18 0.00 0.00 61.69 59.23 3iix s THR 206 Cb -0.23 -2.95 0.18 0.00 1.34 0.00 0.00 72.50 70.84 3iix s THR 206 CO 0.28 0.00 1.86 0.40 -0.54 0.00 0.00 174.62 176.62 3iix h ILE 207 N 1.28 1.24 -0.58 2.99 1.08 -1.99 -1.98 117.51 119.54 3iix h ILE 207 Ca -0.42 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 3iix h ILE 207 Cb 1.26 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 3iix h ILE 207 CO 0.66 0.25 0.37 0.44 -0.69 0.00 0.00 178.15 179.18 3iix h ASP 208 N 1.15 0.67 -0.65 1.72 3.32 -1.98 -0.88 116.42 119.77 3iix h ASP 208 Ca 0.30 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.34 3iix h ASP 208 Cb -0.03 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3iix h ASP 208 CO -0.05 0.49 0.43 0.44 -1.72 0.00 0.00 179.24 178.83 3iix h ASP 209 N 0.78 0.74 -0.70 6.45 3.32 -1.77 -1.12 116.42 124.12 3iix h ASP 209 Ca 0.21 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3iix h ASP 209 Cb -0.08 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 3iix h ASP 209 CO -0.04 0.53 0.39 -0.07 -1.72 0.00 0.00 179.24 178.33 3iix h LEU 210 N 0.87 0.88 -0.61 1.55 3.38 -0.69 0.07 115.31 120.76 3iix h LEU 210 Ca 0.24 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.17 3iix h LEU 210 Cb -0.09 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 3iix h LEU 210 CO -0.06 0.72 0.32 0.58 0.09 0.00 0.00 178.44 180.10 3iix h VAL 211 N 0.96 0.95 -0.52 1.22 2.07 -0.97 -1.44 116.25 118.53 3iix h VAL 211 Ca 0.25 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3iix h VAL 211 Cb 0.04 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3iix h VAL 211 CO -0.04 0.11 0.20 0.44 0.02 0.00 0.00 177.57 178.30 3iix h ASP 212 N 0.60 0.68 -0.28 0.57 3.32 -0.59 -0.37 116.42 120.36 3iix h ASP 212 Ca 0.27 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3iix h ASP 212 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3iix h ASP 212 CO -0.18 0.62 0.17 0.44 -1.72 0.00 0.00 179.24 178.57 3iix h ASP 213 N 0.74 0.34 -0.44 6.45 3.32 -0.34 -0.21 116.42 126.29 3iix h ASP 213 Ca 0.18 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3iix h ASP 213 Cb 0.15 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3iix h ASP 213 CO -0.02 0.30 0.28 -0.07 -1.72 0.00 0.00 179.24 178.01 3iix h LEU 214 N 0.36 0.52 -0.94 1.55 3.38 -0.75 -0.99 115.31 118.43 3iix h LEU 214 Ca 0.10 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3iix h LEU 214 Cb 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3iix h LEU 214 CO -0.02 0.40 -0.02 -0.07 0.09 0.00 0.00 178.44 178.82 3iix h LEU 215 N 0.59 0.72 -0.42 1.67 3.38 -0.92 -1.57 115.31 118.75 3iix h LEU 215 Ca 0.16 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iix h LEU 215 Cb -0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3iix h LEU 215 CO -0.03 0.80 0.26 0.15 0.09 0.00 0.00 178.44 179.71 3iix h PHE 216 N 0.70 0.55 -0.58 1.13 3.57 -0.77 -0.11 116.94 121.43 3iix h PHE 216 Ca 0.13 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 3iix h PHE 216 Cb 0.46 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3iix h PHE 216 CO 0.02 0.38 0.25 -0.07 -2.23 0.00 0.00 178.31 176.67 3iix h LEU 217 N 0.56 0.77 -0.55 0.59 3.38 -0.93 -2.52 115.31 116.61 3iix h LEU 217 Ca 0.15 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3iix h LEU 217 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3iix h LEU 217 CO -0.03 0.71 0.06 0.50 0.09 0.00 0.00 178.44 179.77 3iix h LYS 218 N 0.79 0.93 -0.57 1.13 1.63 -1.19 -1.30 116.57 117.98 3iix h LYS 218 Ca 0.19 -0.26 0.07 0.00 -0.85 0.00 0.00 60.65 59.81 3iix h LYS 218 Cb 0.16 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.63 3iix h LYS 218 CO -0.02 0.91 0.24 1.49 -3.45 0.00 0.00 179.45 178.62 3iix h GLU 219 N 0.81 0.43 -0.01 1.90 4.81 -0.78 -3.03 114.58 118.71 3iix h GLU 219 Ca 0.16 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3iix h GLU 219 Cb 0.45 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3iix h GLU 219 CO 0.02 0.29 -0.48 0.72 -0.73 0.00 0.00 179.01 178.82 3iix n HIS 220 N -4.95 0.00 -3.67 0.92 8.25 -0.97 -4.99 115.22 109.81 3iix n HIS 220 Ca 0.07 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.32 3iix n HIS 220 Cb 0.22 -0.04 0.04 0.00 1.12 0.00 0.00 29.99 31.33 3iix n HIS 220 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3iix n ASP 221 N -0.36 -1.52 -4.76 0.41 2.03 -0.50 -4.89 116.55 106.96 3iix n ASP 221 Ca 0.09 -0.82 -0.37 0.00 0.52 0.00 0.00 54.79 54.22 3iix n ASP 221 Cb 0.42 -4.12 0.02 0.00 -0.72 0.00 0.00 41.12 36.73 3iix n ASP 221 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3iix s PHE 222 N -3.64 2.52 0.21 -0.67 0.40 -1.24 -4.93 117.98 110.63 3iix s PHE 222 Ca 0.03 1.48 -0.04 0.00 -0.60 0.00 0.00 56.93 57.80 3iix s PHE 222 Cb -0.01 -3.55 0.18 0.00 0.51 0.00 0.00 43.02 40.16 3iix s PHE 222 CO 0.81 -2.19 1.61 -0.44 0.70 0.00 0.00 175.22 175.71 3iix h ASP 223 N 1.45 0.76 -4.60 1.36 5.19 -1.69 -3.45 116.42 115.45 3iix h ASP 223 Ca -0.50 -0.29 -0.34 0.00 -0.62 0.00 0.00 57.03 55.27 3iix h ASP 223 Cb 1.28 -0.21 -0.22 0.00 0.18 0.00 0.00 39.33 40.37 3iix h ASP 223 CO 0.57 0.99 -0.76 -0.04 -3.12 0.00 0.00 179.24 176.89 3iix s MET 224 N -4.51 0.67 -0.10 3.56 -1.94 -1.03 -1.08 119.30 114.87 3iix s MET 224 Ca -0.09 -0.82 -0.02 0.00 -1.71 0.00 0.00 55.69 53.05 3iix s MET 224 Cb 0.13 -0.55 0.04 0.00 2.01 0.00 0.00 34.83 36.45 3iix s MET 224 CO 0.84 0.12 0.04 0.08 -0.01 0.00 0.00 175.02 176.09 3iix s VAL 225 N -1.26 0.14 -0.24 -6.03 1.01 -0.78 -1.59 120.40 111.64 3iix s VAL 225 Ca -0.06 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 3iix s VAL 225 Cb -0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3iix s VAL 225 CO 0.01 0.07 0.08 -0.83 0.00 0.00 0.00 175.10 174.43 3iix s GLY 226 N 2.06 1.79 -0.05 4.51 0.00 -0.23 -3.88 107.32 111.52 3iix s GLY 226 Ca 0.04 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3iix s GLY 226 CO -0.06 0.49 -0.11 -0.42 0.00 0.00 0.00 173.10 173.00 3iix s ILE 227 N 1.48 0.96 0.22 0.90 1.01 -1.26 -1.77 121.20 122.75 3iix s ILE 227 Ca 0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 3iix s ILE 227 Cb -0.15 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 3iix s ILE 227 CO 0.04 0.31 0.39 -0.83 0.00 0.00 0.00 174.94 174.85 3iix s GLY 228 N 0.45 0.63 0.45 6.18 0.00 -1.13 -4.51 107.32 109.39 3iix s GLY 228 Ca -0.09 -0.97 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 3iix s GLY 228 CO 0.02 -0.76 0.98 2.56 0.00 0.00 0.00 173.10 175.90 3iix s PRO 229 N -4.02 4.09 0.16 2.90 0.04 -1.26 -1.20 135.00 135.70 3iix s PRO 229 Ca 0.23 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 3iix s PRO 229 Cb 0.01 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 3iix s PRO 229 CO 0.07 -0.17 1.38 0.12 0.04 0.00 0.00 177.00 178.45 3iix s PHE 230 N -2.07 3.22 -0.21 0.56 5.36 -0.32 -4.75 117.98 119.77 3iix s PHE 230 Ca 0.63 1.02 0.01 0.00 -0.96 0.00 0.00 56.93 57.63 3iix s PHE 230 Cb -0.12 -3.69 0.05 0.00 -0.34 0.00 0.00 43.02 38.92 3iix s PHE 230 CO 0.16 -2.32 -0.08 0.42 -1.46 0.00 0.00 175.22 171.95 3iix s ILE 231 N 0.70 1.51 0.35 3.12 1.01 -1.26 -0.46 121.20 126.17 3iix s ILE 231 Ca 0.62 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 3iix s ILE 231 Cb -0.38 -1.68 -0.11 0.00 0.01 0.00 0.00 42.46 40.30 3iix s ILE 231 CO 0.34 0.06 1.53 -2.65 0.00 0.00 0.00 174.94 174.22 3iix n PRO 232 N 4.71 2.69 -4.55 2.79 -0.02 -1.26 -4.74 135.00 134.62 3iix n PRO 232 Ca -0.13 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 3iix n PRO 232 Cb 0.46 -2.70 -0.13 0.00 -0.02 0.00 0.00 33.50 31.11 3iix n PRO 232 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3iix s HIS 233 N -0.69 2.95 0.42 6.00 2.46 -1.26 -4.51 115.29 120.65 3iix s HIS 233 Ca 0.57 -0.33 0.33 0.00 0.47 0.00 0.00 55.06 56.10 3iix s HIS 233 Cb -0.48 -1.88 1.67 0.00 -0.13 0.00 0.00 32.58 31.76 3iix s HIS 233 CO 0.58 -0.01 2.13 -1.00 -2.47 0.00 0.00 174.74 173.96 3iix h PRO 234 N 6.42 0.00 -1.00 2.88 0.13 -1.95 -2.66 132.00 135.82 3iix h PRO 234 Ca -0.33 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.31 3iix h PRO 234 Cb 1.19 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.03 3iix h PRO 234 CO 0.59 0.07 0.63 -0.25 -0.23 0.00 0.00 178.00 178.80 3iix n ASP 235 N -3.42 3.87 -4.23 1.44 8.00 -1.26 -4.80 116.55 116.16 3iix n ASP 235 Ca -0.02 -3.51 -0.13 0.00 0.71 0.00 0.00 54.79 51.84 3iix n ASP 235 Cb 0.21 -0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 40.38 3iix n ASP 235 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3iix s THR 236 N -3.15 0.75 -0.02 -3.53 -4.23 -1.00 -4.71 115.64 99.74 3iix s THR 236 Ca 0.54 -1.98 0.27 0.00 -1.18 0.00 0.00 61.69 59.34 3iix s THR 236 Cb 0.45 -2.02 0.28 0.00 1.34 0.00 0.00 72.50 72.55 3iix s THR 236 CO 0.10 -0.57 1.84 -0.65 -0.54 0.00 0.00 174.62 174.79 3iix h PRO 237 N 2.75 0.00 -0.64 3.99 0.11 -1.87 -2.46 132.00 133.88 3iix h PRO 237 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3iix h PRO 237 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3iix h PRO 237 CO 0.63 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.70 3iix n LEU 238 N -2.47 5.05 -0.34 2.35 4.77 -1.25 -4.66 117.00 120.44 3iix n LEU 238 Ca -0.01 -2.57 0.19 0.00 -0.03 0.00 0.00 56.01 53.59 3iix n LEU 238 Cb 0.07 -0.61 0.42 0.00 -2.33 0.00 0.00 43.42 40.97 3iix n LEU 238 CO 0.14 0.78 1.18 0.00 -1.33 0.00 0.00 177.39 178.15 3iix h ALA 239 N 4.13 1.91 -0.71 -1.18 0.00 -1.51 -1.65 119.26 120.24 3iix h ALA 239 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iix h ALA 239 Cb 1.59 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3iix h ALA 239 CO 0.30 -0.37 0.00 0.09 0.00 0.00 0.00 179.25 179.27 3iix n ASN 240 N -4.82 3.80 -4.91 0.00 3.02 -1.26 -4.70 115.26 106.40 3iix n ASN 240 Ca 0.27 -2.00 -0.28 0.00 -0.03 0.00 0.00 54.58 52.54 3iix n ASN 240 Cb 0.78 -0.48 0.05 0.00 -0.61 0.00 0.00 39.78 39.52 3iix n ASN 240 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3iix s GLU 241 N -1.05 2.72 0.31 3.52 0.41 -0.62 -5.04 118.70 118.94 3iix s GLU 241 Ca 0.48 0.11 -0.27 0.00 -0.41 0.00 0.00 54.97 54.87 3iix s GLU 241 Cb 0.25 -2.16 -0.10 0.00 -1.78 0.00 0.00 34.13 30.34 3iix s GLU 241 CO 0.32 -0.95 0.96 0.15 -0.49 0.00 0.00 175.26 175.26 3iix s LYS 242 N -5.19 4.62 0.61 1.61 1.02 -1.26 -4.74 119.74 116.42 3iix s LYS 242 Ca 0.57 1.41 -0.17 0.00 0.02 0.00 0.00 55.97 57.80 3iix s LYS 242 Cb -0.11 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 3iix s LYS 242 CO 0.47 0.29 1.15 -1.59 -0.92 0.00 0.00 175.35 174.76 3iix s LYS 243 N -1.85 2.94 0.57 1.68 -2.85 -1.26 -4.80 119.74 114.16 3iix s LYS 243 Ca 0.48 1.61 -0.20 0.00 -1.00 0.00 0.00 55.97 56.87 3iix s LYS 243 Cb -0.21 -1.95 -0.04 0.00 -2.06 0.00 0.00 37.83 33.56 3iix s LYS 243 CO 0.27 -1.18 1.21 0.20 0.10 0.00 0.00 175.35 175.95 3iix s GLY 244 N -2.02 2.75 0.01 0.59 0.00 0.39 -4.97 107.32 104.08 3iix s GLY 244 Ca 0.72 1.01 -0.30 0.00 0.00 0.00 0.00 44.72 46.15 3iix s GLY 244 CO 0.35 1.42 1.04 -0.35 0.00 0.00 0.00 173.10 175.56 3iix s ASP 245 N -1.52 7.29 0.12 1.64 2.15 -1.26 -4.81 116.67 120.28 3iix s ASP 245 Ca 0.75 1.75 -0.18 0.00 0.43 0.00 0.00 52.55 55.30 3iix s ASP 245 Cb -0.30 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.70 3iix s ASP 245 CO 0.34 -0.32 1.70 0.15 -0.17 0.00 0.00 175.17 176.87 3iix h PHE 246 N 6.81 0.43 -0.67 -5.34 3.57 -1.96 -1.94 116.94 117.83 3iix h PHE 246 Ca -0.41 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 3iix h PHE 246 Cb 1.22 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 3iix h PHE 246 CO 0.68 0.38 0.19 1.15 -2.23 0.00 0.00 178.31 178.47 3iix h THR 247 N 0.35 1.26 -0.63 4.41 2.02 -1.99 0.13 112.91 118.46 3iix h THR 247 Ca 0.10 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.32 3iix h THR 247 Cb 0.11 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3iix h THR 247 CO -0.01 0.35 0.18 0.25 0.37 0.00 0.00 175.52 176.65 3iix h LEU 248 N 0.99 0.93 -0.81 2.58 5.85 -1.96 -0.86 115.31 122.04 3iix h LEU 248 Ca 0.21 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3iix h LEU 248 Cb 0.33 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3iix h LEU 248 CO -0.00 0.91 0.35 0.74 -0.34 0.00 0.00 178.44 180.09 3iix h THR 249 N 0.91 1.26 -0.84 1.05 2.02 -0.78 -1.84 112.91 114.68 3iix h THR 249 Ca 0.20 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3iix h THR 249 Cb 0.32 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 3iix h THR 249 CO -0.00 0.32 0.44 0.25 0.37 0.00 0.00 175.52 176.90 3iix h LEU 250 N 1.16 1.07 -1.20 2.58 5.85 -0.36 -1.57 115.31 122.84 3iix h LEU 250 Ca 0.27 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3iix h LEU 250 Cb 0.18 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3iix h LEU 250 CO -0.03 0.88 0.14 0.11 -0.34 0.00 0.00 178.44 179.20 3iix h LYS 251 N 1.18 0.70 -0.65 1.25 1.57 -0.75 -0.10 116.57 119.76 3iix h LYS 251 Ca 0.29 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3iix h LYS 251 Cb 0.06 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3iix h LYS 251 CO -0.04 0.62 0.31 0.52 -0.57 0.00 0.00 179.45 180.28 3iix h MET 252 N 0.69 0.94 -0.37 3.15 2.86 -0.53 0.14 114.93 121.81 3iix h MET 252 Ca 0.16 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3iix h MET 252 Cb 0.21 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3iix h MET 252 CO -0.01 0.75 0.12 0.28 1.06 0.00 0.00 176.91 179.12 3iix h VAL 253 N 0.90 1.21 -0.20 -2.22 2.07 -0.86 -0.72 116.25 116.43 3iix h VAL 253 Ca 0.22 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3iix h VAL 253 Cb 0.12 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3iix h VAL 253 CO -0.03 0.23 0.13 0.00 0.02 0.00 0.00 177.57 177.92 3iix h ALA 254 N 0.96 0.26 -0.29 1.67 0.00 -0.84 -1.50 119.26 119.52 3iix h ALA 254 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3iix h ALA 254 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3iix h ALA 254 CO -0.01 -0.25 -0.07 -0.07 0.00 0.00 0.00 179.25 178.86 3iix h LEU 255 N 0.26 0.45 -0.54 0.00 3.38 -0.89 -1.50 115.31 116.47 3iix h LEU 255 Ca 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3iix h LEU 255 Cb -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3iix h LEU 255 CO -0.01 0.57 0.24 0.74 0.09 0.00 0.00 178.44 180.07 3iix h THR 256 N 0.45 1.21 -0.68 0.22 2.02 -0.64 0.21 112.91 115.70 3iix h THR 256 Ca 0.09 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3iix h THR 256 Cb 0.41 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3iix h THR 256 CO 0.02 0.24 0.40 -0.09 0.37 0.00 0.00 175.52 176.46 3iix h ARG 257 N 0.72 0.92 -0.75 6.66 9.65 -0.91 0.12 114.38 130.80 3iix h ARG 257 Ca 0.18 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 58.93 3iix h ARG 257 Cb 0.15 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 3iix h ARG 257 CO -0.02 0.67 0.29 0.82 2.80 0.00 0.00 179.97 184.52 3iix h ILE 258 N 0.92 1.26 -0.03 1.20 2.04 -0.89 -2.45 117.51 119.56 3iix h ILE 258 Ca 0.24 -0.83 -0.21 0.00 1.00 0.00 0.00 64.86 65.07 3iix h ILE 258 Cb -0.01 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3iix h ILE 258 CO -0.04 0.33 -0.85 -0.07 0.00 0.00 0.00 178.15 177.51 3iix h LEU 259 N 1.09 0.48 -6.23 1.44 3.38 -0.71 -3.37 115.31 111.39 3iix h LEU 259 Ca 0.25 -0.36 -0.59 0.00 0.09 0.00 0.00 57.88 57.27 3iix h LEU 259 Cb 0.24 -0.15 -0.41 0.00 0.09 0.00 0.00 40.66 40.43 3iix h LEU 259 CO -0.02 1.14 -0.76 0.18 0.09 0.00 0.00 178.44 179.07 3iix n LEU 260 N -3.77 2.42 0.28 1.67 4.77 0.41 -4.98 117.00 117.79 3iix n LEU 260 Ca -0.05 -5.15 0.15 0.00 -0.03 0.00 0.00 56.01 50.93 3iix n LEU 260 Cb 0.78 -0.23 0.79 0.00 -2.33 0.00 0.00 43.42 42.43 3iix n LEU 260 CO 0.50 2.02 1.01 1.55 -1.33 0.00 0.00 177.39 181.13 3iix h PRO 261 N 4.31 0.00 -0.57 3.23 0.13 -1.62 -2.05 132.00 135.43 3iix h PRO 261 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3iix h PRO 261 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3iix h PRO 261 CO 0.69 0.08 0.00 -0.40 -0.23 0.00 0.00 178.00 178.14 3iix n ASP 262 N -3.41 4.65 -4.90 1.44 5.68 -1.26 -4.53 116.55 114.21 3iix n ASP 262 Ca -0.01 -2.54 -0.28 0.00 -0.50 0.00 0.00 54.79 51.45 3iix n ASP 262 Cb 0.23 -0.56 0.04 0.00 -1.14 0.00 0.00 41.12 39.69 3iix n ASP 262 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3iix s SER 263 N -1.03 5.47 -0.23 -1.12 1.04 -0.77 -4.43 113.70 112.64 3iix s SER 263 Ca 0.48 0.87 -0.13 0.00 0.48 0.00 0.00 55.95 57.66 3iix s SER 263 Cb 0.33 -1.76 -0.04 0.00 0.10 0.00 0.00 66.02 64.64 3iix s SER 263 CO 0.21 -1.22 0.28 0.20 0.98 0.00 0.00 173.24 173.69 3iix s ASN 264 N -4.34 6.26 -0.22 7.02 0.01 -0.24 -4.96 114.94 118.47 3iix s ASN 264 Ca 0.56 0.29 -0.02 0.00 -0.71 0.00 0.00 52.86 52.98 3iix s ASN 264 Cb -0.11 -2.17 0.07 0.00 0.41 0.00 0.00 41.25 39.45 3iix s ASN 264 CO 0.48 -0.02 0.03 -0.63 -1.51 0.00 0.00 177.10 175.45 3iix s ILE 265 N 1.29 0.77 0.61 0.60 1.01 -1.26 -1.86 121.20 122.35 3iix s ILE 265 Ca 0.13 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 3iix s ILE 265 Cb -0.14 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3iix s ILE 265 CO 0.07 -0.27 1.07 -2.84 0.00 0.00 0.00 174.94 172.97 3iix s PRO 266 N 1.73 3.18 -0.72 2.79 0.02 -1.25 -0.98 135.00 139.78 3iix s PRO 266 Ca -0.00 1.27 -0.21 0.00 0.02 0.00 0.00 61.00 62.08 3iix s PRO 266 Cb -0.17 -2.01 0.09 0.00 0.02 0.00 0.00 34.50 32.43 3iix s PRO 266 CO -0.11 -0.93 0.96 0.00 -0.33 0.00 0.00 177.00 176.59 3iix s ALA 267 N -2.40 3.25 0.60 -1.55 0.00 -0.21 -4.70 121.76 116.75 3iix s ALA 267 Ca 0.65 -2.18 -0.16 0.00 0.00 0.00 0.00 51.96 50.27 3iix s ALA 267 Cb -0.17 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 3iix s ALA 267 CO 0.38 -2.74 1.06 0.95 0.00 0.00 0.00 175.76 175.40 3iix s THR 268 N 3.38 3.78 0.47 0.00 -4.23 -1.26 -4.62 115.64 113.16 3iix s THR 268 Ca 0.23 0.85 0.14 0.00 -1.18 0.00 0.00 61.69 61.72 3iix s THR 268 Cb -0.15 -3.37 0.23 0.00 1.34 0.00 0.00 72.50 70.55 3iix s THR 268 CO 0.04 -0.49 2.06 0.74 -0.54 0.00 0.00 174.62 176.43 3iix h THR 269 N 0.43 1.07 -0.28 3.99 2.02 -1.94 -1.14 112.91 117.07 3iix h THR 269 Ca -0.47 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3iix h THR 269 Cb 1.22 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 3iix h THR 269 CO 0.57 0.09 0.13 0.00 0.37 0.00 0.00 175.52 176.68 3iix h ALA 270 N 1.88 1.70 -0.60 6.16 0.00 -1.94 -1.01 119.26 125.45 3iix h ALA 270 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3iix h ALA 270 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3iix h ALA 270 CO 0.01 0.25 0.21 0.52 0.00 0.00 0.00 179.25 180.24 3iix h MET 271 N 0.39 0.89 0.00 0.00 2.07 -1.54 -2.00 114.93 114.73 3iix h MET 271 Ca 0.10 -0.15 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 3iix h MET 271 Cb 0.06 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 29.64 3iix h MET 271 CO -0.01 0.75 0.00 0.78 1.07 0.00 0.00 176.91 179.50 3iix h GLY 272 N 0.99 0.00 0.94 8.32 0.00 -1.21 -3.13 103.07 108.98 3iix h GLY 272 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.22 3iix h GLY 272 CO -0.01 0.00 -1.44 -0.84 0.00 0.00 0.00 176.54 174.25 3iix h THR 273 N 0.00 1.18 0.00 4.70 2.02 -0.72 -3.37 112.91 116.71 3iix h THR 273 Ca 0.00 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.61 3iix h THR 273 Cb 0.74 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 3iix h THR 273 CO 0.00 0.79 -0.27 0.16 0.37 0.00 0.00 175.52 176.57 3iix h ILE 274 N -0.03 0.00 -3.47 3.11 3.07 -1.44 -3.43 117.51 115.31 3iix h ILE 274 Ca -0.27 -0.94 -0.32 0.00 1.55 0.00 0.00 64.86 64.88 3iix h ILE 274 Cb 1.99 1.80 -0.35 0.00 -0.27 0.00 0.00 36.82 39.99 3iix h ILE 274 CO 0.19 0.00 -0.74 -0.69 -1.05 0.00 0.00 178.15 175.87 3iix s VAL 275 N -3.24 -0.01 0.14 0.16 1.01 -1.18 -5.05 120.40 112.23 3iix s VAL 275 Ca 0.05 0.23 -0.32 0.00 0.00 0.00 0.00 61.98 61.94 3iix s VAL 275 Cb 0.07 -0.14 -0.12 0.00 0.00 0.00 0.00 36.38 36.19 3iix s VAL 275 CO 0.70 0.12 1.74 -2.65 0.00 0.00 0.00 175.10 175.01 3iix n PRO 276 N 4.41 2.59 -1.02 2.72 -0.02 -1.26 -0.84 135.00 141.58 3iix n PRO 276 Ca -0.23 0.94 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 3iix n PRO 276 Cb 0.50 -2.78 -0.00 0.00 -0.02 0.00 0.00 33.50 31.19 3iix n PRO 276 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iix n GLY 277 N 3.97 0.47 0.29 -1.23 0.00 -1.26 -4.96 105.19 102.47 3iix n GLY 277 Ca 0.18 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.71 3iix n GLY 277 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iix h GLY 278 N 0.00 0.63 0.96 -0.02 0.00 -1.12 -2.38 103.07 101.15 3iix h GLY 278 Ca -0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 3iix h GLY 278 CO 0.02 0.30 0.00 3.21 0.00 0.00 0.00 176.54 180.07 3iix h ARG 279 N 0.58 0.75 -0.60 4.80 3.08 -1.83 -1.68 114.38 119.48 3iix h ARG 279 Ca 0.14 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3iix h ARG 279 Cb 0.17 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3iix h ARG 279 CO -0.01 0.82 0.31 0.93 -1.07 0.00 0.00 179.97 180.95 3iix h GLU 280 N 0.59 0.86 -0.30 0.04 3.07 -1.90 -0.40 114.58 116.53 3iix h GLU 280 Ca 0.12 -0.12 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 3iix h GLU 280 Cb 0.48 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 3iix h GLU 280 CO 0.02 0.68 0.10 0.82 -1.40 0.00 0.00 179.01 179.23 3iix h ILE 281 N 0.82 0.91 -0.66 3.13 2.04 -1.34 -2.90 117.51 119.52 3iix h ILE 281 Ca 0.21 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 3iix h ILE 281 Cb 0.09 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3iix h ILE 281 CO -0.03 0.04 0.26 0.74 0.00 0.00 0.00 178.15 179.17 3iix h THR 282 N 0.23 1.23 0.00 -0.27 2.02 -0.66 -0.06 112.91 115.40 3iix h THR 282 Ca 0.14 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 3iix h THR 282 Cb 0.11 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3iix h THR 282 CO -0.14 0.29 -0.00 -0.07 0.37 0.00 0.00 175.52 175.96 3iix h LEU 283 N 0.95 0.00 -2.71 2.58 3.38 -0.92 -1.62 115.31 116.98 3iix h LEU 283 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3iix h LEU 283 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3iix h LEU 283 CO -0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.05 3iix n ARG 284 N -3.11 2.70 -0.53 1.13 1.74 -0.06 -4.26 116.66 114.27 3iix n ARG 284 Ca -0.03 -2.52 0.05 0.00 -0.77 0.00 0.00 57.85 54.59 3iix n ARG 284 Cb 0.10 -1.51 0.09 0.00 -1.02 0.00 0.00 32.46 30.11 3iix n ARG 284 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iix n GLY 286 N -0.60 1.46 3.84 0.00 0.00 -1.18 -3.60 105.19 105.10 3iix n GLY 286 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3iix n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iix s ALA 287 N -0.83 3.08 0.00 4.61 0.00 -0.95 -4.83 121.76 122.84 3iix s ALA 287 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3iix s ALA 287 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3iix s ALA 287 CO 0.00 -0.12 0.64 0.27 0.00 0.00 0.00 175.76 176.55 3iix n ASN 288 N -1.31 0.00 -4.07 0.00 6.94 -0.15 -4.56 115.26 112.11 3iix n ASN 288 Ca 0.06 -1.32 -0.14 0.00 -0.02 0.00 0.00 54.58 53.16 3iix n ASN 288 Cb 0.54 -0.06 -0.11 0.00 -2.36 0.00 0.00 39.78 37.78 3iix n ASN 288 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3iix s VAL 289 N 0.00 0.60 0.01 3.53 1.01 -1.06 -1.75 120.40 122.76 3iix s VAL 289 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.88 3iix s VAL 289 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 3iix s VAL 289 CO 0.00 -0.36 -0.02 -0.51 0.00 0.00 0.00 175.10 174.21 3iix s ILE 290 N -1.36 0.10 -0.65 2.22 1.10 -0.22 -1.04 121.20 121.34 3iix s ILE 290 Ca -0.09 -0.55 0.05 0.00 -0.51 0.00 0.00 60.65 59.55 3iix s ILE 290 Cb -0.10 -0.18 0.17 0.00 0.15 0.00 0.00 42.46 42.49 3iix s ILE 290 CO 0.01 -0.29 0.45 -0.04 -2.11 0.00 0.00 174.94 172.96 3iix s MET 291 N -0.87 2.19 0.39 3.50 -1.94 -1.26 -1.19 119.30 120.12 3iix s MET 291 Ca -0.09 -3.10 -0.27 0.00 -1.71 0.00 0.00 55.69 50.52 3iix s MET 291 Cb -0.06 -3.11 -0.09 0.00 2.01 0.00 0.00 34.83 33.57 3iix s MET 291 CO -0.01 -1.29 1.32 -1.25 -0.01 0.00 0.00 175.02 173.79 3iix s PRO 292 N -1.13 4.06 0.17 2.03 0.04 -1.17 -4.71 135.00 134.27 3iix s PRO 292 Ca 0.25 2.21 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 3iix s PRO 292 Cb -0.05 -2.84 -0.08 0.00 0.04 0.00 0.00 34.50 31.56 3iix s PRO 292 CO -0.16 -0.44 1.32 1.21 0.04 0.00 0.00 177.00 178.98 3iix s ASN 293 N -0.62 6.89 -0.07 6.66 3.84 -1.26 -2.08 114.94 128.30 3iix s ASN 293 Ca 0.55 2.35 0.10 0.00 0.21 0.00 0.00 52.86 56.07 3iix s ASN 293 Cb -0.39 -2.60 0.15 0.00 -0.55 0.00 0.00 41.25 37.86 3iix s ASN 293 CO 0.51 -0.55 1.06 1.87 -2.79 0.00 0.00 177.10 177.20 3iix n TRP 294 N 3.07 0.00 -2.47 0.43 -0.00 0.70 -4.49 117.44 114.69 3iix n TRP 294 Ca 0.08 -0.56 -0.42 0.00 -0.00 0.00 0.00 57.50 56.59 3iix n TRP 294 Cb 0.43 -0.10 -0.03 0.00 -0.00 0.00 0.00 31.31 31.61 3iix n TRP 294 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3iix s THR 295 N -1.59 4.20 0.56 5.87 2.01 -1.18 -4.73 115.64 120.78 3iix s THR 295 Ca 0.17 1.57 -0.14 0.00 0.31 0.00 0.00 61.69 63.60 3iix s THR 295 Cb 0.15 -4.01 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 3iix s THR 295 CO 0.02 0.10 1.00 -2.16 -0.69 0.00 0.00 174.62 172.88 3iix s PRO 296 N 1.28 3.79 0.55 4.92 0.04 -1.26 -4.50 135.00 139.82 3iix s PRO 296 Ca 0.57 0.85 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 3iix s PRO 296 Cb -0.27 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 3iix s PRO 296 CO 0.28 -0.39 1.33 -1.12 0.04 0.00 0.00 177.00 177.13 3iix s SER 297 N -3.56 5.30 -0.02 6.66 0.01 -1.26 -1.44 113.70 119.39 3iix s SER 297 Ca 0.57 2.70 0.11 0.00 1.31 0.00 0.00 55.95 60.65 3iix s SER 297 Cb -0.10 -2.63 0.37 0.00 0.21 0.00 0.00 66.02 63.87 3iix s SER 297 CO 0.41 -1.54 1.27 -0.81 0.41 0.00 0.00 173.24 172.98 3iix n PRO 298 N -1.05 2.15 0.02 12.44 -0.04 -1.26 -4.88 135.00 142.38 3iix n PRO 298 Ca 0.11 -1.49 -0.14 0.00 -0.04 0.00 0.00 63.50 61.94 3iix n PRO 298 Cb 0.46 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 3iix n PRO 298 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3iix h TYR 299 N 2.31 0.25 -0.72 0.54 0.99 -1.61 -3.37 116.97 115.35 3iix h TYR 299 Ca 0.00 -0.18 0.15 0.00 2.00 0.00 0.00 58.73 60.70 3iix h TYR 299 Cb 0.68 -0.01 -0.13 0.00 1.00 0.00 0.00 36.73 38.27 3iix h TYR 299 CO 0.33 1.29 -0.08 -0.09 -0.00 0.00 0.00 178.16 179.61 3iix h ARG 300 N 0.04 0.05 0.00 4.88 2.43 -1.60 0.97 114.38 121.14 3iix h ARG 300 Ca -0.28 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3iix h ARG 300 Cb 2.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 3iix h ARG 300 CO 0.11 0.04 0.00 0.00 -1.51 0.00 0.00 179.97 178.61 3iix n GLN 301 N -5.40 0.05 0.00 0.20 10.64 -1.26 -2.30 117.38 119.31 3iix n GLN 301 Ca 0.11 0.31 0.13 0.00 -1.83 0.00 0.00 57.00 55.72 3iix n GLN 301 Cb 0.41 -1.60 0.34 0.00 -0.86 0.00 0.00 30.24 28.53 3iix n GLN 301 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3iix n LEU 302 N -1.69 1.94 -3.97 2.61 4.77 0.33 -4.60 117.00 116.38 3iix n LEU 302 Ca 0.03 -0.64 -0.32 0.00 -0.03 0.00 0.00 56.01 55.05 3iix n LEU 302 Cb 0.17 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3iix n LEU 302 CO 0.14 0.33 0.17 0.00 -1.33 0.00 0.00 177.39 176.70 3iix n TYR 303 N 0.41 3.72 -3.86 -1.77 9.36 -0.97 -4.92 117.16 119.14 3iix n TYR 303 Ca 0.16 -4.20 -0.30 0.00 3.32 0.00 0.00 57.90 56.88 3iix n TYR 303 Cb 0.44 -0.87 -0.14 0.00 -0.63 0.00 0.00 39.34 38.14 3iix n TYR 303 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3iix s GLN 304 N -1.53 1.49 0.32 2.98 -0.21 -1.26 -4.93 119.66 116.53 3iix s GLN 304 Ca 0.27 -2.08 0.00 0.00 0.02 0.00 0.00 55.36 53.58 3iix s GLN 304 Cb -0.04 -2.80 0.52 0.00 1.00 0.00 0.00 33.01 31.69 3iix s GLN 304 CO -0.14 -1.08 1.94 -0.07 -2.12 0.00 0.00 175.29 173.82 3iix h LEU 305 N 6.99 0.77 -8.34 2.90 3.38 -1.93 -3.37 115.31 115.70 3iix h LEU 305 Ca -0.06 -0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.61 3iix h LEU 305 Cb 0.94 -0.19 -0.17 0.00 0.09 0.00 0.00 40.66 41.33 3iix h LEU 305 CO 0.56 0.63 -0.71 -0.72 0.09 0.00 0.00 178.44 178.29 3iix s TYR 306 N -5.55 0.81 0.73 1.13 -0.85 -1.26 -0.99 117.35 111.37 3iix s TYR 306 Ca -0.10 -0.76 -0.11 0.00 -0.52 0.00 0.00 57.07 55.58 3iix s TYR 306 Cb 0.17 -0.47 0.03 0.00 0.38 0.00 0.00 41.96 42.06 3iix s TYR 306 CO 0.78 -0.12 1.08 -1.25 -1.52 0.00 0.00 175.55 174.51 3iix s PRO 307 N -2.98 2.66 0.00 -3.49 0.04 -1.26 -4.28 135.00 125.69 3iix s PRO 307 Ca 0.04 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.81 3iix s PRO 307 Cb -0.01 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3iix s PRO 307 CO -0.03 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.18 3iix n GLY 308 N -2.26 0.51 3.65 0.56 0.00 -1.26 -5.00 105.19 101.39 3iix n GLY 308 Ca 0.07 -0.44 -0.66 0.00 0.00 0.00 0.00 46.02 44.99 3iix n GLY 308 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iix n LYS 309 N -2.89 0.00 0.23 1.61 4.81 -1.26 -4.82 118.16 115.84 3iix n LYS 309 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 3iix n LYS 309 Cb 0.00 -1.46 0.53 0.00 0.02 0.00 0.00 35.03 34.11 3iix n LYS 309 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 3iix h ILE 310 N 4.89 0.67 -0.02 3.15 3.07 -1.91 -3.01 117.51 124.35 3iix h ILE 310 Ca -0.43 -1.00 0.00 0.00 1.55 0.00 0.00 64.86 64.99 3iix h ILE 310 Cb 1.34 1.64 0.00 0.00 -0.27 0.00 0.00 36.82 39.53 3iix h ILE 310 CO 0.96 0.22 -0.03 0.00 -1.05 0.00 0.00 178.15 178.25 3iix h VAL 312 N 2.86 1.17 -0.01 0.00 3.04 -1.91 -1.24 116.25 120.16 3iix h VAL 312 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 3iix h VAL 312 Cb 0.63 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 3iix h VAL 312 CO 0.00 0.19 -0.20 0.49 -1.01 0.00 0.00 177.57 177.04 3iix n PHE 313 N -4.39 0.00 -2.25 3.17 3.01 -1.26 -4.76 117.46 110.99 3iix n PHE 313 Ca 0.04 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.21 3iix n PHE 313 Cb 0.11 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3iix n PHE 313 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3iix s GLU 314 N -2.43 3.58 0.84 -1.08 0.41 -0.47 -5.05 118.70 114.50 3iix s GLU 314 Ca 0.27 0.49 -0.11 0.00 -0.41 0.00 0.00 54.97 55.21 3iix s GLU 314 Cb 0.20 -2.22 0.10 0.00 -1.78 0.00 0.00 34.13 30.42 3iix s GLU 314 CO 0.49 -0.39 1.10 0.15 -0.49 0.00 0.00 175.26 176.12 3iix s LYS 315 N -4.95 1.70 0.43 1.61 1.02 -1.26 -4.91 119.74 113.37 3iix s LYS 315 Ca 0.51 1.11 0.14 0.00 0.02 0.00 0.00 55.97 57.74 3iix s LYS 315 Cb -0.11 -1.84 1.02 0.00 -0.52 0.00 0.00 37.83 36.38 3iix s LYS 315 CO 0.49 -2.02 1.97 -0.44 -0.92 0.00 0.00 175.35 174.44 3iix h ASP 316 N -1.40 0.39 -0.48 2.83 3.32 -1.96 -2.21 116.42 116.90 3iix h ASP 316 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3iix h ASP 316 Cb 1.25 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3iix h ASP 316 CO 0.51 0.23 0.00 0.35 -1.72 0.00 0.00 179.24 178.61 3iix n THR 317 N -4.47 0.95 0.07 0.35 -2.24 -1.26 -4.69 114.28 102.99 3iix n THR 317 Ca 0.10 -0.98 -0.04 0.00 -2.27 0.00 0.00 64.05 60.86 3iix n THR 317 Cb 0.38 0.54 0.17 0.00 -2.10 0.00 0.00 70.33 69.32 3iix n THR 317 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iix h ALA 318 N 2.95 0.97 0.00 6.98 0.00 -1.75 -3.36 119.26 125.06 3iix h ALA 318 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 3iix h ALA 318 Cb 0.83 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3iix h ALA 318 CO 0.00 0.64 -0.92 0.00 0.00 0.00 0.00 179.25 178.96 3iix h ILE 320 N 0.00 0.77 0.00 0.00 2.04 -1.84 -1.30 117.51 117.17 3iix h ILE 320 Ca -0.01 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3iix h ILE 320 Cb 1.70 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3iix h ILE 320 CO 0.12 0.11 0.00 -2.65 0.00 0.00 0.00 178.15 175.73 3iix n PRO 321 N -5.13 0.00 0.00 2.37 -0.02 -1.20 -1.62 135.00 129.40 3iix n PRO 321 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3iix n PRO 321 Cb 0.24 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3iix n PRO 321 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3iix n VAL 323 N 0.84 0.00 -0.11 -1.45 0.24 -0.49 -1.55 118.33 115.81 3iix n VAL 323 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 3iix n VAL 323 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3iix n VAL 323 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 3iix h MET 324 N 0.00 0.53 -0.43 7.34 2.86 -1.57 0.12 114.93 123.78 3iix h MET 324 Ca 0.00 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3iix h MET 324 Cb 0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3iix h MET 324 CO 0.00 0.61 0.21 -0.22 1.06 0.00 0.00 176.91 178.57 3iix h LYS 325 N 0.36 0.62 -0.27 1.72 3.64 -1.56 -2.23 116.57 118.85 3iix h LYS 325 Ca 0.10 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3iix h LYS 325 Cb 0.33 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3iix h LYS 325 CO 0.00 0.52 0.00 1.98 -2.27 0.00 0.00 179.45 179.69 3iix h MET 326 N 0.56 0.08 -0.91 1.90 4.05 -1.74 -0.37 114.93 118.49 3iix h MET 326 Ca 0.15 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.61 3iix h MET 326 Cb 0.10 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.83 3iix h MET 326 CO -0.02 0.05 0.59 0.82 0.23 0.00 0.00 176.91 178.58 3iix h ILE 327 N 0.08 1.12 -0.14 1.77 2.04 -0.84 -1.28 117.51 120.26 3iix h ILE 327 Ca 0.13 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3iix h ILE 327 Cb 0.17 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.15 3iix h ILE 327 CO -0.21 0.20 -0.08 -0.08 0.00 0.00 0.00 178.15 177.98 3iix h GLU 328 N 1.12 0.31 0.00 2.37 4.57 -0.90 -1.06 114.58 120.99 3iix h GLU 328 Ca 0.37 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 3iix h GLU 328 Cb 0.05 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3iix h GLU 328 CO -0.14 0.65 0.00 1.37 -1.18 0.00 0.00 179.01 179.72 3iix h LEU 329 N -0.04 0.00 -0.08 1.64 8.10 -0.83 -0.54 115.31 123.56 3iix h LEU 329 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.02 3iix h LEU 329 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.79 3iix h LEU 329 CO 0.02 0.00 -0.04 0.18 -4.11 0.00 0.00 178.44 174.50 3iix n LEU 330 N -2.96 0.16 -0.60 0.17 4.77 -0.51 -4.92 117.00 113.12 3iix n LEU 330 Ca -0.00 0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 3iix n LEU 330 Cb 0.24 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3iix n LEU 330 CO 0.24 0.03 -0.07 0.61 -1.33 0.00 0.00 177.39 176.87 3iix n GLY 331 N 1.25 0.44 2.55 -0.72 0.00 -0.21 -5.04 105.19 103.45 3iix n GLY 331 Ca 0.16 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 3iix n GLY 331 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iix n ARG 332 N -2.13 0.94 -4.12 1.61 5.12 -0.42 -5.04 116.66 112.63 3iix n ARG 332 Ca -0.07 -2.30 -0.14 0.00 -1.93 0.00 0.00 57.85 53.42 3iix n ARG 332 Cb 0.40 0.24 -0.11 0.00 -1.16 0.00 0.00 32.46 31.83 3iix n ARG 332 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3iix s LYS 333 N -3.52 0.69 0.58 5.56 0.00 -0.77 -4.36 119.74 117.93 3iix s LYS 333 Ca 0.21 -0.98 -0.16 0.00 0.00 0.00 0.00 55.97 55.04 3iix s LYS 333 Cb -0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 37.83 37.37 3iix s LYS 333 CO 0.13 0.06 1.06 -1.25 0.00 0.00 0.00 175.35 175.36 3iix s PRO 334 N -2.28 3.35 0.44 1.78 0.04 -1.26 -0.21 135.00 136.85 3iix s PRO 334 Ca -0.01 1.26 -0.26 0.00 0.04 0.00 0.00 61.00 62.03 3iix s PRO 334 Cb -0.06 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3iix s PRO 334 CO -0.00 -0.80 1.44 0.41 0.04 0.00 0.00 177.00 178.09 3iix n GLY 335 N -0.78 1.04 0.02 0.56 0.00 -0.87 -4.66 105.19 100.50 3iix n GLY 335 Ca 0.09 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.43 3iix n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iix n ARG 336 N -0.06 0.61 -0.24 1.61 5.12 -1.26 -4.95 116.66 117.49 3iix n ARG 336 Ca 0.04 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 3iix n ARG 336 Cb 0.41 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 3iix n ARG 336 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3iix n ASP 337 N -2.28 1.16 0.00 0.55 5.68 -1.26 -5.02 116.55 115.38 3iix n ASP 337 Ca -0.03 -0.12 0.11 0.00 -0.50 0.00 0.00 54.79 54.25 3iix n ASP 337 Cb 0.55 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.04 3iix n ASP 337 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3iix n TRP 338 N 0.00 0.00 -2.90 2.11 8.01 -1.26 -4.87 117.44 118.53 3iix n TRP 338 Ca 0.00 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 56.01 3iix n TRP 338 Cb 0.00 -0.40 0.03 0.00 -2.01 0.00 0.00 31.31 28.93 3iix n TRP 338 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3iix n GLY 339 N 0.66 -0.25 3.73 6.99 0.00 -1.26 -4.77 105.19 110.29 3iix n GLY 339 Ca 0.08 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3iix n GLY 339 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iix s GLY 340 N -2.82 1.68 0.30 -0.02 0.00 -1.26 -4.94 107.32 100.26 3iix s GLY 340 Ca 0.26 0.36 -0.30 0.00 0.00 0.00 0.00 44.72 45.04 3iix s GLY 340 CO 0.32 0.75 1.57 -1.60 0.00 0.00 0.00 173.10 174.13 3iix s ARG 341 N -4.81 4.13 -0.56 2.90 3.52 -1.26 -4.95 118.95 117.92 3iix s ARG 341 Ca 0.63 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.79 3iix s ARG 341 Cb -0.19 -3.02 0.14 0.00 -1.56 0.00 0.00 34.95 30.32 3iix s ARG 341 CO 0.57 -0.61 0.33 0.15 -0.81 0.00 0.00 175.30 174.94 3iix s LYS 342 N -0.66 2.24 0.22 5.12 1.02 -1.26 -5.08 119.74 121.34 3iix s LYS 342 Ca 0.62 -2.51 -0.30 0.00 0.02 0.00 0.00 55.97 53.79 3iix s LYS 342 Cb -0.47 -3.52 -0.09 0.00 -0.52 0.00 0.00 37.83 33.22 3iix s LYS 342 CO 0.49 -1.13 1.39 1.03 -0.92 0.00 0.00 175.35 176.21 3iix s ARG 343 N -0.07 4.31 -0.38 1.68 0.52 -1.26 -4.93 118.95 118.82 3iix s ARG 343 Ca 0.16 2.20 -0.06 0.00 -0.52 0.00 0.00 55.73 57.51 3iix s ARG 343 Cb -0.23 -3.15 0.07 0.00 0.52 0.00 0.00 34.95 32.17 3iix s ARG 343 CO -0.02 -0.36 0.18 0.08 0.02 0.00 0.00 175.30 175.19 3iix s VAL 344 N 0.15 3.77 0.16 3.52 1.01 -1.26 -5.08 120.40 122.67 3iix s VAL 344 Ca 0.59 -1.48 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 3iix s VAL 344 Cb -0.40 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 3iix s VAL 344 CO 0.40 -0.42 1.23 -0.36 0.00 0.00 0.00 175.10 175.95 3iix s PHE 345 N 1.34 3.39 0.00 5.22 0.40 -1.26 -4.97 117.98 122.09 3iix s PHE 345 Ca 0.02 1.34 0.00 0.00 -0.60 0.00 0.00 56.93 57.69 3iix s PHE 345 Cb -0.22 -3.48 0.00 0.00 0.51 0.00 0.00 43.02 39.84 3iix s PHE 345 CO 0.00 -1.41 0.00 -0.85 0.70 0.00 0.00 175.22 173.66 3iix n GLU 346 N 2.86 0.13 0.00 0.44 0.28 -1.26 -5.26 120.64 117.83 3iix n GLU 346 Ca 0.06 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.13 3iix n GLU 346 Cb 0.44 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.37 3iix n GLU 346 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22