#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixq n ASN 3 N 0.00 -5.76 -0.01 4.04 4.13 -1.26 -4.88 115.26 111.53 3ixq n ASN 3 Ca 0.00 -0.51 -0.01 0.00 1.68 0.00 0.00 54.58 55.74 3ixq n ASN 3 Cb 0.00 -4.59 0.28 0.00 -1.54 0.00 0.00 39.78 33.93 3ixq n ASN 3 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3ixq h GLU 4 N -2.07 0.54 -0.71 3.52 3.07 -2.04 -1.27 114.58 115.62 3ixq h GLU 4 Ca -0.55 -0.12 0.02 0.00 -0.50 0.00 0.00 59.36 58.20 3ixq h GLU 4 Cb 1.36 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 29.16 3ixq h GLU 4 CO 0.59 0.58 0.46 0.38 -1.40 0.00 0.00 179.01 179.62 3ixq h ASP 5 N 0.51 0.79 0.17 1.42 2.03 -1.99 0.42 116.42 119.77 3ixq h ASP 5 Ca 0.11 -0.01 -0.20 0.00 -0.73 0.00 0.00 57.03 56.19 3ixq h ASP 5 Cb 0.35 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 3ixq h ASP 5 CO 0.01 0.56 -0.78 -0.07 -1.03 0.00 0.00 179.24 177.93 3ixq h LEU 6 N 0.93 0.60 -0.40 0.15 3.38 -1.69 -1.16 115.31 117.12 3ixq h LEU 6 Ca 0.27 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3ixq h LEU 6 Cb -0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3ixq h LEU 6 CO -0.08 1.17 0.04 0.11 0.09 0.00 0.00 178.44 179.78 3ixq h LYS 7 N 0.33 0.68 -0.83 1.13 1.57 -1.15 -2.18 116.57 116.13 3ixq h LYS 7 Ca -0.05 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 3ixq h LYS 7 Cb 1.38 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.58 3ixq h LYS 7 CO 0.14 0.74 0.40 1.25 -0.57 0.00 0.00 179.45 181.41 3ixq h LEU 8 N 0.52 1.08 -0.50 2.94 5.85 -0.84 -1.87 115.31 122.50 3ixq h LEU 8 Ca 0.12 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3ixq h LEU 8 Cb 0.41 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3ixq h LEU 8 CO 0.01 0.91 0.28 0.50 -0.34 0.00 0.00 178.44 179.81 3ixq h LYS 9 N 1.18 0.69 -0.43 1.25 3.64 -1.06 -1.13 116.57 120.71 3ixq h LYS 9 Ca 0.29 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 3ixq h LYS 9 Cb 0.12 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3ixq h LYS 9 CO -0.04 0.52 -0.24 -0.39 -2.27 0.00 0.00 179.45 177.04 3ixq h VAL 10 N 0.66 1.27 -0.30 2.00 -1.51 -1.28 -2.14 116.25 114.96 3ixq h VAL 10 Ca 0.18 -1.38 -0.00 0.00 -1.23 0.00 0.00 66.70 64.26 3ixq h VAL 10 Cb 0.03 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 3ixq h VAL 10 CO -0.03 0.47 0.17 0.00 -1.23 0.00 0.00 177.57 176.95 3ixq h ALA 11 N 0.96 0.38 -0.76 5.19 0.00 -1.09 0.10 119.26 124.04 3ixq h ALA 11 Ca 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ixq h ALA 11 Cb 0.78 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3ixq h ALA 11 CO 0.07 -0.11 0.51 0.87 0.00 0.00 0.00 179.25 180.58 3ixq h LYS 12 N 0.38 0.99 -0.09 0.00 1.57 -1.11 -1.83 116.57 116.48 3ixq h LYS 12 Ca 0.11 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 3ixq h LYS 12 Cb 0.03 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.13 3ixq h LYS 12 CO -0.02 0.66 -0.78 1.49 -0.57 0.00 0.00 179.45 180.23 3ixq h GLU 13 N 1.02 0.68 -0.80 3.15 4.57 -1.12 -3.29 114.58 118.79 3ixq h GLU 13 Ca 0.28 -0.62 -0.01 0.00 -1.18 0.00 0.00 59.36 57.84 3ixq h GLU 13 Cb -0.10 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3ixq h GLU 13 CO -0.06 1.22 0.47 0.00 -1.18 0.00 0.00 179.01 179.45 3ixq h ALA 14 N 0.47 1.31 0.00 2.92 0.00 -0.50 -2.60 119.26 120.86 3ixq h ALA 14 Ca -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3ixq h ALA 14 Cb 1.43 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ixq h ALA 14 CO 0.16 0.58 -0.06 -0.24 0.00 0.00 0.00 179.25 179.69 3ixq h VAL 15 N 1.11 0.31 0.00 0.00 3.04 -1.41 -1.56 116.25 117.74 3ixq h VAL 15 Ca 0.29 -0.39 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 3ixq h VAL 15 Cb -0.02 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 3ixq h VAL 15 CO -0.05 0.06 -0.07 0.11 -1.01 0.00 0.00 177.57 176.61 3ixq h LYS 16 N 0.00 0.00 0.00 4.17 1.57 -1.59 -2.36 116.57 118.36 3ixq h LYS 16 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ixq h LYS 16 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3ixq h LYS 16 CO 0.01 0.07 0.00 -0.07 -0.57 0.00 0.00 179.45 178.89 3ixq h LEU 17 N 0.00 0.00 -9.64 2.94 3.38 -1.43 -3.44 115.31 107.11 3ixq h LEU 17 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 3ixq h LEU 17 Cb 0.22 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.00 3ixq h LEU 17 CO 0.01 0.00 0.65 -0.69 0.09 0.00 0.00 178.44 178.50 3ixq s VAL 18 N -3.48 3.31 0.09 1.22 1.01 -0.89 -5.03 120.40 116.63 3ixq s VAL 18 Ca 0.03 1.04 0.09 0.00 0.00 0.00 0.00 61.98 63.15 3ixq s VAL 18 Cb 0.08 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3ixq s VAL 18 CO 0.57 0.14 -0.20 -0.54 0.00 0.00 0.00 175.10 175.07 3ixq s LYS 19 N 0.14 1.80 0.26 2.72 -0.14 -1.26 -5.09 119.74 118.18 3ixq s LYS 19 Ca 0.58 -1.15 -0.30 0.00 -1.36 0.00 0.00 55.97 53.74 3ixq s LYS 19 Cb -0.36 -2.09 -0.14 0.00 -1.68 0.00 0.00 37.83 33.56 3ixq s LYS 19 CO 0.36 0.49 1.16 -3.47 -0.76 0.00 0.00 175.35 173.14 3ixq n ASP 20 N 1.07 1.82 0.00 2.83 2.03 -1.26 -2.18 116.55 120.86 3ixq n ASP 20 Ca -0.16 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.32 3ixq n ASP 20 Cb 0.53 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 3ixq n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ixq n GLY 21 N 1.49 1.15 3.85 0.27 0.00 0.23 -4.99 105.19 107.19 3ixq n GLY 21 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3ixq n GLY 21 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ixq s MET 22 N -0.53 3.82 -0.22 1.61 -1.94 -0.92 -4.89 119.30 116.22 3ixq s MET 22 Ca 0.00 0.91 -0.07 0.00 -1.71 0.00 0.00 55.69 54.82 3ixq s MET 22 Cb 0.00 -2.11 -0.03 0.00 2.01 0.00 0.00 34.83 34.69 3ixq s MET 22 CO 0.00 -0.38 0.06 0.08 -0.01 0.00 0.00 175.02 174.77 3ixq s VAL 23 N -2.78 4.43 -0.12 -6.03 1.01 -1.26 -2.03 120.40 113.63 3ixq s VAL 23 Ca 0.58 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3ixq s VAL 23 Cb -0.10 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 3ixq s VAL 23 CO 0.38 0.38 -0.15 -0.63 0.00 0.00 0.00 175.10 175.08 3ixq s ILE 24 N 1.15 2.88 -0.04 2.22 -1.09 0.57 -0.68 121.20 126.22 3ixq s ILE 24 Ca 0.04 -0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 57.44 3ixq s ILE 24 Cb -0.14 -2.19 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 3ixq s ILE 24 CO 0.03 0.53 1.15 -0.83 -1.23 0.00 0.00 174.94 174.60 3ixq s GLY 25 N 0.30 2.26 -0.38 6.18 0.00 0.37 -0.93 107.32 115.11 3ixq s GLY 25 Ca -0.11 0.62 -0.12 0.00 0.00 0.00 0.00 44.72 45.11 3ixq s GLY 25 CO 0.06 2.10 0.23 1.08 0.00 0.00 0.00 173.10 176.57 3ixq s LEU 26 N 1.90 4.82 0.00 0.66 1.43 0.46 -1.66 118.68 126.28 3ixq s LEU 26 Ca 0.55 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 3ixq s LEU 26 Cb -0.24 -2.04 0.17 0.00 0.03 0.00 0.00 46.19 44.11 3ixq s LEU 26 CO 0.23 -0.41 0.77 0.61 0.23 0.00 0.00 176.35 177.79 3ixq n GLY 27 N 5.02 -2.07 3.26 -3.19 0.00 -0.28 -1.51 105.19 106.43 3ixq n GLY 27 Ca -0.12 -1.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 3ixq n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixq s THR 28 N -2.55 1.55 0.00 2.61 2.01 -1.26 -4.59 115.64 113.42 3ixq s THR 28 Ca 0.47 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 60.92 3ixq s THR 28 Cb -0.03 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 71.00 3ixq s THR 28 CO 0.35 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 3ixq n GLY 29 N 0.99 1.06 0.33 4.40 0.00 -1.26 -4.13 105.19 106.57 3ixq n GLY 29 Ca -0.19 -2.08 -0.06 0.00 0.00 0.00 0.00 46.02 43.70 3ixq n GLY 29 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ixq h SER 30 N 0.00 1.05 -0.11 1.61 4.64 -1.99 0.04 113.55 118.80 3ixq h SER 30 Ca 0.00 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.09 3ixq h SER 30 Cb 0.00 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 3ixq h SER 30 CO 0.00 0.96 -0.10 0.74 -0.87 0.00 0.00 176.83 177.56 3ixq h THR 31 N 1.09 1.36 -0.99 2.95 2.02 -1.91 -2.69 112.91 114.72 3ixq h THR 31 Ca 0.24 -1.25 0.10 0.00 0.77 0.00 0.00 66.41 66.26 3ixq h THR 31 Cb 0.28 1.94 -0.08 0.00 -1.74 0.00 0.00 68.15 68.56 3ixq h THR 31 CO -0.01 0.36 0.63 0.00 0.37 0.00 0.00 175.52 176.87 3ixq h ALA 32 N 0.59 1.49 -0.42 6.16 0.00 -1.74 -1.79 119.26 123.54 3ixq h ALA 32 Ca 0.02 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ixq h ALA 32 Cb 0.62 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ixq h ALA 32 CO 0.03 0.31 0.28 0.00 0.00 0.00 0.00 179.25 179.87 3ixq h ALA 33 N 1.51 0.54 -0.89 0.00 0.00 -0.86 -0.02 119.26 119.53 3ixq h ALA 33 Ca 0.46 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.37 3ixq h ALA 33 Cb 0.35 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3ixq h ALA 33 CO -0.22 -0.01 0.58 -0.07 0.00 0.00 0.00 179.25 179.53 3ixq h LEU 34 N 0.57 0.98 -0.57 0.00 3.38 -1.12 -1.93 115.31 116.61 3ixq h LEU 34 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3ixq h LEU 34 Cb -0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3ixq h LEU 34 CO -0.04 0.68 0.32 0.15 0.09 0.00 0.00 178.44 179.65 3ixq h PHE 35 N 1.15 0.78 -0.78 1.13 3.57 -0.58 -1.86 116.94 120.34 3ixq h PHE 35 Ca 0.35 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.89 3ixq h PHE 35 Cb -0.04 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.39 3ixq h PHE 35 CO -0.01 0.56 0.47 0.82 -2.23 0.00 0.00 178.31 177.92 3ixq h ILE 36 N 0.77 1.02 -0.24 1.41 2.04 -0.59 0.14 117.51 122.07 3ixq h ILE 36 Ca 0.20 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3ixq h ILE 36 Cb 0.03 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 3ixq h ILE 36 CO -0.03 0.16 0.09 -0.09 0.00 0.00 0.00 178.15 178.28 3ixq h ARG 37 N 0.87 0.35 -0.65 2.37 2.43 -1.13 -0.80 114.38 117.82 3ixq h ARG 37 Ca 0.34 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.49 3ixq h ARG 37 Cb 0.16 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3ixq h ARG 37 CO -0.17 0.40 0.38 0.93 -1.51 0.00 0.00 179.97 180.00 3ixq h GLU 38 N 0.23 0.70 -0.16 0.20 4.39 -0.86 -1.19 114.58 117.90 3ixq h GLU 38 Ca 0.08 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3ixq h GLU 38 Cb 0.18 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3ixq h GLU 38 CO -0.01 0.46 0.08 1.25 -1.16 0.00 0.00 179.01 179.64 3ixq h LEU 39 N 0.72 0.19 -0.83 1.33 5.85 -0.47 -0.92 115.31 121.19 3ixq h LEU 39 Ca 0.28 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3ixq h LEU 39 Cb 0.11 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3ixq h LEU 39 CO -0.15 0.23 0.54 1.23 -0.34 0.00 0.00 178.44 179.95 3ixq h GLY 40 N 0.15 1.18 0.49 3.75 0.00 -0.91 0.32 103.07 108.05 3ixq h GLY 40 Ca 0.05 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.00 3ixq h GLY 40 CO -0.01 0.39 -0.16 -0.57 0.00 0.00 0.00 176.54 176.19 3ixq h ASN 41 N 1.08 -0.49 -0.57 0.19 -1.24 -1.04 -2.14 115.58 111.37 3ixq h ASN 41 Ca 0.31 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.39 3ixq h ASN 41 Cb -0.07 0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 3ixq h ASN 41 CO -0.09 -0.21 0.30 -0.09 -1.29 0.00 0.00 177.43 176.05 3ixq h ARG 42 N -0.22 0.81 -0.79 6.67 2.43 -0.69 0.32 114.38 122.91 3ixq h ARG 42 Ca 0.08 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3ixq h ARG 42 Cb 0.34 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 3ixq h ARG 42 CO -0.23 0.63 0.49 0.82 -1.51 0.00 0.00 179.97 180.18 3ixq h ILE 43 N 0.77 1.07 0.45 1.20 2.04 -0.78 -0.84 117.51 121.41 3ixq h ILE 43 Ca 0.20 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3ixq h ILE 43 Cb 0.07 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3ixq h ILE 43 CO -0.03 0.17 -0.22 -0.09 0.00 0.00 0.00 178.15 177.98 3ixq h ARG 44 N 0.93 -0.58 0.00 2.37 2.43 -1.10 0.36 114.38 118.79 3ixq h ARG 44 Ca 0.33 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3ixq h ARG 44 Cb 0.10 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3ixq h ARG 44 CO -0.14 -0.30 0.00 1.49 -1.51 0.00 0.00 179.97 179.50 3ixq h GLU 45 N -1.06 0.00 -0.02 0.20 4.57 -0.90 -2.68 114.58 114.70 3ixq h GLU 45 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3ixq h GLU 45 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3ixq h GLU 45 CO 0.10 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.32 3ixq n GLU 46 N -2.96 -0.09 -3.76 1.92 1.02 -0.33 -5.01 120.64 111.43 3ixq n GLU 46 Ca -0.00 -0.86 -0.23 0.00 -0.02 0.00 0.00 57.16 56.04 3ixq n GLU 46 Cb 0.22 -1.10 0.03 0.00 -0.02 0.00 0.00 31.44 30.58 3ixq n GLU 46 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ixq n GLU 47 N 0.26 -5.02 -2.79 3.49 1.02 -0.01 -4.95 120.64 112.64 3ixq n GLU 47 Ca 0.03 0.61 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 3ixq n GLU 47 Cb 0.14 -5.23 -0.07 0.00 -0.02 0.00 0.00 31.44 26.26 3ixq n GLU 47 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ixq s LEU 48 N -6.83 3.99 -0.82 -4.62 1.43 -0.47 -5.02 118.68 106.33 3ixq s LEU 48 Ca 0.16 1.73 -0.13 0.00 -1.03 0.00 0.00 54.13 54.86 3ixq s LEU 48 Cb -0.08 -4.46 0.22 0.00 0.03 0.00 0.00 46.19 41.89 3ixq s LEU 48 CO 0.82 -0.36 0.76 -0.89 0.23 0.00 0.00 176.35 176.91 3ixq s THR 49 N -2.08 5.52 -0.02 5.49 2.01 -1.26 -4.89 115.64 120.41 3ixq s THR 49 Ca 0.61 -2.52 0.02 0.00 0.31 0.00 0.00 61.69 60.11 3ixq s THR 49 Cb -0.11 -4.41 0.00 0.00 0.01 0.00 0.00 72.50 67.99 3ixq s THR 49 CO 0.15 -1.02 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.30 3ixq s VAL 50 N 0.12 0.63 0.19 3.82 1.01 -1.26 -0.60 120.40 124.30 3ixq s VAL 50 Ca 0.18 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.97 3ixq s VAL 50 Cb -0.11 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3ixq s VAL 50 CO -0.09 0.20 -0.07 -0.36 0.00 0.00 0.00 175.10 174.79 3ixq s PHE 51 N 0.23 2.67 0.18 5.22 0.08 -0.86 -4.43 117.98 121.08 3ixq s PHE 51 Ca -0.03 -0.21 0.09 0.00 0.12 0.00 0.00 56.93 56.90 3ixq s PHE 51 Cb -0.08 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 3ixq s PHE 51 CO 0.00 0.53 -0.08 0.20 -0.10 0.00 0.00 175.22 175.77 3ixq s GLY 52 N -2.94 1.73 -0.13 4.36 0.00 0.53 -0.31 107.32 110.55 3ixq s GLY 52 Ca 0.26 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.52 3ixq s GLY 52 CO 0.16 -1.48 -0.11 -0.42 0.00 0.00 0.00 173.10 171.24 3ixq s ILE 53 N -1.74 1.31 0.34 0.90 1.01 -0.11 -0.67 121.20 122.25 3ixq s ILE 53 Ca 0.26 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.23 3ixq s ILE 53 Cb -0.09 -1.26 -0.10 0.00 0.01 0.00 0.00 42.46 41.03 3ixq s ILE 53 CO 0.16 0.41 0.83 -2.16 0.00 0.00 0.00 174.94 174.19 3ixq s PRO 54 N 1.50 4.22 0.00 2.79 0.04 -1.26 -0.41 135.00 141.88 3ixq s PRO 54 Ca 0.03 0.96 0.25 0.00 0.04 0.00 0.00 61.00 62.28 3ixq s PRO 54 Cb -0.13 -2.50 0.40 0.00 0.04 0.00 0.00 34.50 32.30 3ixq s PRO 54 CO -0.08 0.17 1.37 0.25 0.04 0.00 0.00 177.00 178.75 3ixq n THR 55 N -0.08 0.00 -3.62 1.26 -2.24 -0.57 -4.87 114.28 104.16 3ixq n THR 55 Ca 0.03 -0.43 -0.04 0.00 -2.27 0.00 0.00 64.05 61.34 3ixq n THR 55 Cb 0.52 1.25 -0.01 0.00 -2.10 0.00 0.00 70.33 69.99 3ixq n THR 55 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ixq s SER 56 N -2.01 -0.19 0.39 3.42 1.04 -1.26 -3.81 113.70 111.27 3ixq s SER 56 Ca 0.30 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.65 3ixq s SER 56 Cb 0.20 0.30 0.78 0.00 0.10 0.00 0.00 66.02 67.40 3ixq s SER 56 CO 0.32 -0.52 2.00 -0.26 0.98 0.00 0.00 173.24 175.75 3ixq h PHE 57 N 2.00 0.53 -0.14 5.02 0.04 -1.97 -1.83 116.94 120.59 3ixq h PHE 57 Ca -0.22 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.58 3ixq h PHE 57 Cb 1.21 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 39.15 3ixq h PHE 57 CO 0.31 0.39 -0.09 1.49 -0.60 0.00 0.00 178.31 179.81 3ixq h GLU 58 N 0.55 -0.09 -0.59 1.51 4.81 -1.97 -1.32 114.58 117.49 3ixq h GLU 58 Ca 0.14 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3ixq h GLU 58 Cb 0.06 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3ixq h GLU 58 CO -0.02 -0.06 0.24 0.00 -0.73 0.00 0.00 179.01 178.44 3ixq h ALA 59 N 1.03 1.31 -0.33 2.92 0.00 -1.71 -1.16 119.26 121.32 3ixq h ALA 59 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ixq h ALA 59 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ixq h ALA 59 CO -0.20 0.51 0.16 0.87 0.00 0.00 0.00 179.25 180.60 3ixq h LYS 60 N 0.84 0.47 -0.56 0.00 1.57 -1.00 -0.31 116.57 117.57 3ixq h LYS 60 Ca 0.20 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 3ixq h LYS 60 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3ixq h LYS 60 CO -0.02 0.43 -0.08 0.52 -0.57 0.00 0.00 179.45 179.73 3ixq h MET 61 N 0.40 1.05 -0.36 3.15 2.86 -0.90 -1.73 114.93 119.40 3ixq h MET 61 Ca 0.11 -0.37 -0.13 0.00 -2.06 0.00 0.00 59.70 57.25 3ixq h MET 61 Cb 0.11 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3ixq h MET 61 CO -0.01 1.07 -0.31 -0.07 1.06 0.00 0.00 176.91 178.64 3ixq h LEU 62 N 0.94 0.81 -0.88 1.22 3.38 -1.07 -1.57 115.31 118.14 3ixq h LEU 62 Ca 0.15 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3ixq h LEU 62 Cb 0.65 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3ixq h LEU 62 CO 0.04 1.06 0.46 0.00 0.09 0.00 0.00 178.44 180.09 3ixq h ALA 63 N 0.99 1.12 -0.20 1.53 0.00 -0.87 0.98 119.26 122.80 3ixq h ALA 63 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ixq h ALA 63 Cb 0.85 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ixq h ALA 63 CO 0.07 0.66 0.11 1.98 0.00 0.00 0.00 179.25 182.07 3ixq h MET 64 N 1.23 0.28 -0.88 0.00 1.85 -1.09 0.13 114.93 116.46 3ixq h MET 64 Ca 0.31 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.35 3ixq h MET 64 Cb 0.06 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.00 3ixq h MET 64 CO -0.04 0.27 0.50 0.37 -0.40 0.00 0.00 176.91 177.60 3ixq h GLN 65 N 0.22 1.20 -0.67 0.39 4.15 -0.62 -2.66 115.11 117.12 3ixq h GLN 65 Ca 0.07 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ixq h GLN 65 Cb 0.07 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.52 3ixq h GLN 65 CO -0.01 0.86 0.00 0.66 -1.93 0.00 0.00 178.83 178.41 3ixq n TYR 66 N -4.35 1.41 -3.62 3.99 4.01 0.28 -4.97 117.16 113.91 3ixq n TYR 66 Ca 0.09 -0.59 -0.20 0.00 -0.16 0.00 0.00 57.90 57.04 3ixq n TYR 66 Cb 0.08 -0.20 0.05 0.00 -0.31 0.00 0.00 39.34 38.96 3ixq n TYR 66 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ixq n GLU 67 N 1.22 -5.62 -3.57 -0.72 1.02 -0.20 -4.45 120.64 108.33 3ixq n GLU 67 Ca 0.26 0.70 -0.39 0.00 -0.02 0.00 0.00 57.16 57.71 3ixq n GLU 67 Cb 0.85 -5.45 -0.11 0.00 -0.02 0.00 0.00 31.44 26.71 3ixq n GLU 67 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ixq s ILE 68 N -3.54 5.19 0.16 -3.67 1.01 0.29 -4.98 121.20 115.65 3ixq s ILE 68 Ca 0.05 -0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.29 3ixq s ILE 68 Cb -0.02 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.77 3ixq s ILE 68 CO 0.78 0.11 1.55 -2.84 0.00 0.00 0.00 174.94 174.54 3ixq s PRO 69 N 1.72 4.23 -0.15 2.79 0.02 -1.26 -4.53 135.00 137.82 3ixq s PRO 69 Ca 0.06 2.33 -0.06 0.00 0.02 0.00 0.00 61.00 63.35 3ixq s PRO 69 Cb -0.17 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 3ixq s PRO 69 CO 0.10 -0.59 0.07 -0.51 -0.33 0.00 0.00 177.00 175.74 3ixq s LEU 70 N 1.19 3.90 0.00 -5.54 1.43 -1.26 -0.35 118.68 118.06 3ixq s LEU 70 Ca 0.70 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 3ixq s LEU 70 Cb -0.43 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3ixq s LEU 70 CO 0.31 0.26 0.01 1.33 0.23 0.00 0.00 176.35 178.48 3ixq n VAL 71 N 2.98 0.00 -4.84 -1.59 0.24 0.16 -4.93 118.33 110.35 3ixq n VAL 71 Ca -0.18 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.34 61.51 3ixq n VAL 71 Cb 0.53 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.76 3ixq n VAL 71 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ixq s THR 72 N -1.13 2.24 0.37 3.34 -4.23 -1.26 -4.49 115.64 110.47 3ixq s THR 72 Ca 0.00 -1.39 0.34 0.00 -1.18 0.00 0.00 61.69 59.46 3ixq s THR 72 Cb -0.00 -1.89 0.36 0.00 1.34 0.00 0.00 72.50 72.31 3ixq s THR 72 CO 0.00 0.34 2.11 0.25 -0.54 0.00 0.00 174.62 176.79 3ixq h LEU 73 N 4.70 0.00 -0.71 4.79 5.85 -1.96 0.19 115.31 128.16 3ixq h LEU 73 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3ixq h LEU 73 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3ixq h LEU 73 CO 0.44 0.06 0.00 0.44 -0.34 0.00 0.00 178.44 179.04 3ixq h ASP 74 N 0.00 0.00 0.00 1.25 3.32 -2.03 -3.27 116.42 115.69 3ixq h ASP 74 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3ixq h ASP 74 Cb 0.33 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3ixq h ASP 74 CO 0.01 0.00 -1.66 -0.62 -1.72 0.00 0.00 179.24 175.25 3ixq n GLU 75 N -2.42 1.41 -4.39 3.56 1.02 -0.57 -5.08 120.64 114.18 3ixq n GLU 75 Ca 0.02 0.03 -0.23 0.00 -0.02 0.00 0.00 57.16 56.97 3ixq n GLU 75 Cb 0.28 -1.24 -0.13 0.00 -0.02 0.00 0.00 31.44 30.33 3ixq n GLU 75 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ixq s TYR 76 N -2.23 1.61 0.49 -0.32 2.02 -0.05 -5.04 117.35 113.82 3ixq s TYR 76 Ca -0.10 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 3ixq s TYR 76 Cb 0.03 -0.92 -0.05 0.00 -0.40 0.00 0.00 41.96 40.62 3ixq s TYR 76 CO 0.33 0.12 0.86 -0.51 -1.57 0.00 0.00 175.55 174.78 3ixq s ASP 77 N -1.51 6.41 -0.21 2.29 1.01 -1.26 -4.29 116.67 119.11 3ixq s ASP 77 Ca 0.05 1.21 -0.11 0.00 0.71 0.00 0.00 52.55 54.41 3ixq s ASP 77 Cb -0.09 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 3ixq s ASP 77 CO 0.03 -0.57 0.18 -0.69 0.21 0.00 0.00 175.17 174.32 3ixq s VAL 78 N -2.68 5.36 -0.01 -1.27 1.01 -1.26 -4.72 120.40 116.83 3ixq s VAL 78 Ca 0.52 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.55 3ixq s VAL 78 Cb -0.10 -3.52 -0.12 0.00 0.00 0.00 0.00 36.38 32.63 3ixq s VAL 78 CO 0.40 0.38 0.90 0.44 0.00 0.00 0.00 175.10 177.22 3ixq h ASP 79 N 7.05 -0.55 -3.39 3.32 3.32 -1.26 0.28 116.42 125.19 3ixq h ASP 79 Ca -0.39 -0.04 -0.42 0.00 0.02 0.00 0.00 57.03 56.20 3ixq h ASP 79 Cb 1.16 0.14 -0.35 0.00 0.22 0.00 0.00 39.33 40.50 3ixq h ASP 79 CO 0.72 -0.14 -0.77 -0.63 -1.72 0.00 0.00 179.24 176.70 3ixq s ILE 80 N -4.00 0.51 -0.19 0.35 1.01 -1.20 -1.79 121.20 115.88 3ixq s ILE 80 Ca -0.11 -0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 3ixq s ILE 80 Cb 0.01 -0.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 3ixq s ILE 80 CO 0.37 0.24 0.13 0.00 0.00 0.00 0.00 174.94 175.68 3ixq s ALA 81 N 1.27 3.70 -0.15 9.38 0.00 0.04 -0.48 121.76 135.52 3ixq s ALA 81 Ca -0.06 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 3ixq s ALA 81 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 3ixq s ALA 81 CO -0.02 0.21 -0.13 -0.06 0.00 0.00 0.00 175.76 175.76 3ixq s PHE 82 N 0.22 2.82 0.11 0.00 0.08 -0.66 -0.45 117.98 120.10 3ixq s PHE 82 Ca 0.08 -0.77 -0.12 0.00 0.12 0.00 0.00 56.93 56.24 3ixq s PHE 82 Cb -0.11 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.47 3ixq s PHE 82 CO -0.01 -0.31 0.29 0.34 -0.10 0.00 0.00 175.22 175.43 3ixq s ASP 83 N 0.58 -0.05 0.73 1.36 -1.08 -0.71 -1.13 116.67 116.36 3ixq s ASP 83 Ca -0.08 -0.50 -0.03 0.00 -0.52 0.00 0.00 52.55 51.42 3ixq s ASP 83 Cb -0.16 0.41 0.12 0.00 -1.46 0.00 0.00 42.92 41.83 3ixq s ASP 83 CO 0.03 -0.79 0.78 0.61 0.52 0.00 0.00 175.17 176.32 3ixq n GLY 84 N -0.14 0.16 3.25 2.66 0.00 -1.26 0.17 105.19 110.03 3ixq n GLY 84 Ca -0.15 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 3ixq n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixq s ALA 85 N -3.29 -0.83 0.05 4.61 0.00 -1.26 -4.82 121.76 116.22 3ixq s ALA 85 Ca 0.49 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 3ixq s ALA 85 Cb -0.02 -0.00 -0.33 0.00 0.00 0.00 0.00 23.12 22.76 3ixq s ALA 85 CO 0.33 -0.25 1.06 -0.44 0.00 0.00 0.00 175.76 176.45 3ixq h ASP 86 N 4.04 0.71 -4.41 0.00 3.32 -0.95 -3.47 116.42 115.66 3ixq h ASP 86 Ca -0.29 -0.75 -0.18 0.00 0.02 0.00 0.00 57.03 55.82 3ixq h ASP 86 Cb 1.18 -0.23 -0.24 0.00 0.22 0.00 0.00 39.33 40.26 3ixq h ASP 86 CO 0.39 1.59 -0.62 -1.61 -1.72 0.00 0.00 179.24 177.26 3ixq s GLU 87 N -2.64 0.24 -0.15 3.56 2.02 -0.96 -4.78 118.70 116.00 3ixq s GLU 87 Ca -0.07 -0.23 -0.00 0.00 0.02 0.00 0.00 54.97 54.68 3ixq s GLU 87 Cb 0.05 0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.41 3ixq s GLU 87 CO 0.93 -0.05 -0.08 0.08 0.02 0.00 0.00 175.26 176.16 3ixq s VAL 88 N -0.74 1.18 -0.04 2.63 1.01 -0.00 -1.85 120.40 122.58 3ixq s VAL 88 Ca -0.08 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 3ixq s VAL 88 Cb -0.05 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3ixq s VAL 88 CO 0.00 0.25 1.21 -0.70 0.00 0.00 0.00 175.10 175.86 3ixq s GLU 89 N 1.62 4.36 0.24 2.72 2.12 0.06 -0.67 118.70 129.16 3ixq s GLU 89 Ca 0.03 1.69 -0.06 0.00 0.36 0.00 0.00 54.97 56.99 3ixq s GLU 89 Cb -0.14 -3.53 0.24 0.00 0.26 0.00 0.00 34.13 30.96 3ixq s GLU 89 CO -0.08 -0.43 1.87 0.93 -0.54 0.00 0.00 175.26 177.01 3ixq h GLU 90 N 7.40 1.24 0.04 4.30 5.08 -1.35 0.87 114.58 132.16 3ixq h GLU 90 Ca -0.35 -0.13 -0.27 0.00 -1.00 0.00 0.00 59.36 57.60 3ixq h GLU 90 Cb 1.17 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3ixq h GLU 90 CO 0.87 0.89 -1.44 1.79 -1.00 0.00 0.00 179.01 180.13 3ixq h THR 91 N 1.25 1.21 0.00 1.13 1.35 -1.87 -3.38 112.91 112.60 3ixq h THR 91 Ca 0.32 -2.95 -0.04 0.00 -0.55 0.00 0.00 66.41 63.19 3ixq h THR 91 Cb 0.00 2.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 3ixq h THR 91 CO -0.05 0.76 -1.71 0.35 -0.25 0.00 0.00 175.52 174.61 3ixq n THR 92 N -3.28 0.14 -1.83 6.82 -2.24 -1.19 -4.99 114.28 107.70 3ixq n THR 92 Ca -0.12 -0.37 -0.19 0.00 -2.27 0.00 0.00 64.05 61.10 3ixq n THR 92 Cb 1.01 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.23 3ixq n THR 92 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ixq n LEU 93 N -2.09 -1.56 -4.77 3.22 4.77 0.29 -4.92 117.00 111.94 3ixq n LEU 93 Ca -0.06 0.31 -0.36 0.00 -0.03 0.00 0.00 56.01 55.88 3ixq n LEU 93 Cb 0.47 -2.71 0.00 0.00 -2.33 0.00 0.00 43.42 38.86 3ixq n LEU 93 CO 0.31 -0.74 0.80 -0.36 -1.33 0.00 0.00 177.39 176.07 3ixq s PHE 94 N -2.80 2.68 0.23 -1.77 0.08 -1.26 -4.76 117.98 110.38 3ixq s PHE 94 Ca 0.00 1.54 0.10 0.00 0.12 0.00 0.00 56.93 58.69 3ixq s PHE 94 Cb 0.00 -3.33 -0.05 0.00 -0.57 0.00 0.00 43.02 39.07 3ixq s PHE 94 CO 0.00 -1.64 -0.18 -0.51 -0.10 0.00 0.00 175.22 172.79 3ixq s LEU 95 N -3.66 2.54 -0.14 -0.37 1.43 0.25 -0.76 118.68 117.97 3ixq s LEU 95 Ca 0.71 -0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3ixq s LEU 95 Cb -0.26 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 3ixq s LEU 95 CO 0.29 -0.04 -0.10 -0.63 0.23 0.00 0.00 176.35 176.11 3ixq s ILE 96 N -2.53 3.31 0.30 -0.59 1.01 -0.77 -0.85 121.20 121.08 3ixq s ILE 96 Ca 0.25 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.37 3ixq s ILE 96 Cb -0.04 -2.42 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 3ixq s ILE 96 CO 0.11 0.51 0.05 -0.54 0.00 0.00 0.00 174.94 175.06 3ixq s LYS 97 N 0.39 1.56 0.00 2.79 1.02 0.01 -0.20 119.74 125.31 3ixq s LYS 97 Ca -0.08 -1.84 0.00 0.00 0.02 0.00 0.00 55.97 54.06 3ixq s LYS 97 Cb -0.15 -0.75 0.00 0.00 -0.52 0.00 0.00 37.83 36.41 3ixq s LYS 97 CO 0.05 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 3ixq n GLY 98 N -0.60 0.70 0.35 -3.33 0.00 -1.26 -4.29 105.19 96.76 3ixq n GLY 98 Ca -0.03 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.17 3ixq n GLY 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ixq h GLY 99 N 0.00 1.82 -1.19 -0.02 0.00 -1.93 0.45 103.07 102.21 3ixq h GLY 99 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3ixq h GLY 99 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 176.54 176.93 3ixq n GLY 100 N -1.33 0.52 2.05 4.60 0.00 -1.26 -4.94 105.19 104.83 3ixq n GLY 100 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ixq n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixq n GLY 101 N 1.02 0.52 0.42 -0.02 0.00 0.15 -4.92 105.19 102.36 3ixq n GLY 101 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 3ixq n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixq h HIS 103 N 0.77 0.00 0.36 0.00 -0.00 -1.88 -2.37 115.15 112.03 3ixq h HIS 103 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 3ixq h HIS 103 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 3ixq h HIS 103 CO 0.21 0.10 -0.17 1.15 -0.00 0.00 0.00 177.93 179.21 3ixq h THR 104 N 0.00 0.52 -0.48 6.12 2.02 -1.90 0.01 112.91 119.20 3ixq h THR 104 Ca -0.00 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 3ixq h THR 104 Cb 0.21 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3ixq h THR 104 CO 0.01 0.10 0.04 1.56 0.37 0.00 0.00 175.52 177.60 3ixq h GLN 105 N -0.91 0.78 -0.33 6.66 1.08 -1.79 -1.88 115.11 118.71 3ixq h GLN 105 Ca -0.05 -0.19 0.06 0.00 -1.45 0.00 0.00 58.65 57.02 3ixq h GLN 105 Cb 0.53 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.81 3ixq h GLN 105 CO 0.08 0.76 0.00 0.93 -0.95 0.00 0.00 178.83 179.66 3ixq h GLU 106 N 0.73 0.10 -0.59 1.46 5.08 -1.36 -2.13 114.58 117.87 3ixq h GLU 106 Ca 0.15 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 3ixq h GLU 106 Cb 0.40 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3ixq h GLU 106 CO 0.01 0.06 0.05 -0.22 -1.00 0.00 0.00 179.01 177.91 3ixq h LYS 107 N 0.10 1.00 -0.67 2.33 3.64 -0.71 0.24 116.57 122.51 3ixq h LYS 107 Ca 0.16 -0.30 0.10 0.00 -1.27 0.00 0.00 60.65 59.34 3ixq h LYS 107 Cb 0.22 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 3ixq h LYS 107 CO -0.27 0.97 0.30 0.82 -2.27 0.00 0.00 179.45 179.00 3ixq h ILE 108 N 0.90 0.80 0.02 2.00 2.04 -1.10 -1.57 117.51 120.59 3ixq h ILE 108 Ca 0.17 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3ixq h ILE 108 Cb 0.49 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3ixq h ILE 108 CO 0.02 0.09 -0.01 0.58 0.00 0.00 0.00 178.15 178.84 3ixq h VAL 109 N 0.51 1.52 -0.25 1.67 2.07 -1.06 -3.31 116.25 117.39 3ixq h VAL 109 Ca 0.33 -1.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.05 3ixq h VAL 109 Cb 0.39 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 3ixq h VAL 109 CO -0.29 0.44 -0.03 0.44 0.02 0.00 0.00 177.57 178.15 3ixq h ASP 110 N -0.80 0.47 0.46 0.57 3.32 -0.40 -1.55 116.42 118.49 3ixq h ASP 110 Ca -0.00 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 3ixq h ASP 110 Cb 0.74 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3ixq h ASP 110 CO 0.00 0.69 -0.18 1.88 -1.72 0.00 0.00 179.24 179.91 3ixq h TYR 111 N 0.23 0.00 0.00 4.55 -1.99 -1.49 -3.10 116.97 115.17 3ixq h TYR 111 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3ixq h TYR 111 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.20 3ixq h TYR 111 CO 0.04 0.18 -0.81 0.09 -0.00 0.00 0.00 178.16 177.67 3ixq n ASN 112 N -3.70 0.76 -4.77 3.88 3.02 -0.99 -4.94 115.26 108.52 3ixq n ASN 112 Ca -0.01 -0.63 -0.36 0.00 -0.03 0.00 0.00 54.58 53.55 3ixq n ASN 112 Cb 0.30 0.69 0.00 0.00 -0.61 0.00 0.00 39.78 40.16 3ixq n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ixq s ALA 113 N -3.02 2.76 0.22 5.41 0.00 -0.62 -4.68 121.76 121.84 3ixq s ALA 113 Ca 0.09 0.90 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 3ixq s ALA 113 Cb 0.16 -3.39 0.27 0.00 0.00 0.00 0.00 23.12 20.17 3ixq s ALA 113 CO 0.80 -0.81 1.84 -0.97 0.00 0.00 0.00 175.76 176.62 3ixq h ASN 114 N 1.43 0.73 -3.38 0.00 -1.24 -1.01 -3.40 115.58 108.71 3ixq h ASN 114 Ca -0.50 0.02 -0.48 0.00 0.71 0.00 0.00 56.30 56.05 3ixq h ASN 114 Cb 1.26 -0.14 -0.34 0.00 0.73 0.00 0.00 38.32 39.83 3ixq h ASN 114 CO 0.58 0.48 -0.80 -0.70 -1.29 0.00 0.00 177.43 175.70 3ixq s GLU 115 N -6.08 1.31 -0.29 6.67 2.12 -0.74 -5.03 118.70 116.64 3ixq s GLU 115 Ca -0.13 -0.25 -0.06 0.00 0.36 0.00 0.00 54.97 54.89 3ixq s GLU 115 Cb 0.17 -1.21 0.01 0.00 0.26 0.00 0.00 34.13 33.36 3ixq s GLU 115 CO 0.78 -0.08 0.07 0.12 -0.54 0.00 0.00 175.26 175.60 3ixq s PHE 116 N 1.00 3.15 -0.23 5.30 5.36 -1.26 -0.78 117.98 130.52 3ixq s PHE 116 Ca -0.09 -1.11 -0.04 0.00 -0.96 0.00 0.00 56.93 54.73 3ixq s PHE 116 Cb -0.15 -2.23 -0.01 0.00 -0.34 0.00 0.00 43.02 40.29 3ixq s PHE 116 CO -0.00 -0.61 -0.02 0.08 -1.46 0.00 0.00 175.22 173.20 3ixq s VAL 117 N 1.47 3.52 0.01 3.12 1.01 0.41 -1.39 120.40 128.54 3ixq s VAL 117 Ca 0.02 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 3ixq s VAL 117 Cb -0.17 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 3ixq s VAL 117 CO 0.02 0.39 0.57 -0.69 0.00 0.00 0.00 175.10 175.39 3ixq s VAL 118 N 1.49 4.88 -0.19 2.92 1.01 -0.44 -1.75 120.40 128.32 3ixq s VAL 118 Ca 0.06 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 3ixq s VAL 118 Cb -0.15 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3ixq s VAL 118 CO -0.02 0.46 -0.11 -0.76 0.00 0.00 0.00 175.10 174.67 3ixq s LEU 119 N -0.47 2.61 0.06 3.92 1.43 0.13 -0.48 118.68 125.88 3ixq s LEU 119 Ca 0.30 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3ixq s LEU 119 Cb -0.18 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 3ixq s LEU 119 CO 0.17 0.01 0.08 0.68 0.23 0.00 0.00 176.35 177.53 3ixq s VAL 120 N 1.25 0.17 0.55 -1.59 -7.23 -0.60 -4.14 120.40 108.81 3ixq s VAL 120 Ca 0.03 -1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 58.72 3ixq s VAL 120 Cb -0.14 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.46 3ixq s VAL 120 CO -0.05 -0.79 0.85 1.51 -0.31 0.00 0.00 175.10 176.31 3ixq s ASP 121 N -2.75 5.83 0.54 4.85 -4.77 -1.26 -0.81 116.67 118.29 3ixq s ASP 121 Ca 0.04 0.75 0.26 0.00 -3.30 0.00 0.00 52.55 50.30 3ixq s ASP 121 Cb 0.05 -1.87 1.42 0.00 -1.09 0.00 0.00 42.92 41.43 3ixq s ASP 121 CO -0.09 -0.88 2.00 -0.08 0.70 0.00 0.00 175.17 176.81 3ixq h GLU 122 N -0.01 0.00 0.00 2.11 4.81 -1.61 -1.52 114.58 118.37 3ixq h GLU 122 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3ixq h GLU 122 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3ixq h GLU 122 CO 0.61 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.55 3ixq h SER 123 N 0.00 0.00 1.03 1.04 4.64 -1.94 -2.41 113.55 115.90 3ixq h SER 123 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3ixq h SER 123 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3ixq h SER 123 CO -0.00 0.00 -0.12 0.29 -0.87 0.00 0.00 176.83 176.12 3ixq n LYS 124 N -2.43 0.09 -2.53 4.77 4.76 -0.57 -4.83 118.16 117.41 3ixq n LYS 124 Ca -0.01 0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 3ixq n LYS 124 Cb 0.11 -1.59 -0.03 0.00 -1.84 0.00 0.00 35.03 31.67 3ixq n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ixq s LEU 125 N -3.47 4.43 0.10 -0.35 1.43 -0.91 -0.82 118.68 119.09 3ixq s LEU 125 Ca 0.12 1.96 0.03 0.00 -1.03 0.00 0.00 54.13 55.22 3ixq s LEU 125 Cb 0.17 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 3ixq s LEU 125 CO 0.59 -0.30 -0.09 0.68 0.23 0.00 0.00 176.35 177.45 3ixq s VAL 126 N 0.47 0.92 0.04 -1.59 -7.23 0.16 -4.91 120.40 108.25 3ixq s VAL 126 Ca 0.53 -1.76 -0.09 0.00 -1.81 0.00 0.00 61.98 58.85 3ixq s VAL 126 Cb -0.27 -1.49 -0.32 0.00 0.56 0.00 0.00 36.38 34.86 3ixq s VAL 126 CO 0.31 -0.65 1.01 0.11 -0.31 0.00 0.00 175.10 175.57 3ixq h LYS 127 N 3.33 0.39 -4.01 4.82 1.57 -1.96 -0.57 116.57 120.14 3ixq h LYS 127 Ca -0.37 -0.67 -0.52 0.00 -1.87 0.00 0.00 60.65 57.22 3ixq h LYS 127 Cb 1.18 0.25 -0.38 0.00 0.08 0.00 0.00 32.23 33.36 3ixq h LYS 127 CO 0.57 1.31 -0.79 0.21 -0.57 0.00 0.00 179.45 180.18 3ixq s LYS 128 N -2.62 1.20 0.19 3.15 2.47 -1.26 -4.63 119.74 118.24 3ixq s LYS 128 Ca -0.08 -0.36 -0.33 0.00 -1.56 0.00 0.00 55.97 53.65 3ixq s LYS 128 Cb 0.06 -1.78 -0.13 0.00 -1.46 0.00 0.00 37.83 34.52 3ixq s LYS 128 CO 0.90 -0.41 1.64 -0.11 0.16 0.00 0.00 175.35 177.53 3ixq n LEU 129 N 4.96 3.56 0.00 5.43 7.94 -1.26 -2.60 117.00 135.03 3ixq n LEU 129 Ca -0.11 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3ixq n LEU 129 Cb 0.48 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.93 3ixq n LEU 129 CO 0.15 -0.07 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 3ixq n GLY 130 N 3.54 0.84 0.32 -3.96 0.00 -1.26 -4.39 105.19 100.28 3ixq n GLY 130 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 3ixq n GLY 130 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ixq h GLU 131 N 2.40 1.14 -0.00 1.61 4.81 -1.75 -3.34 114.58 119.45 3ixq h GLU 131 Ca 0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3ixq h GLU 131 Cb 0.01 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3ixq h GLU 131 CO 0.00 1.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.91 3ixq n LYS 132 N -4.24 2.12 -3.74 1.92 5.02 -1.26 -5.00 118.16 112.97 3ixq n LYS 132 Ca 0.05 -1.29 -0.13 0.00 -2.02 0.00 0.00 58.31 54.93 3ixq n LYS 132 Cb 0.26 -1.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.14 3ixq n LYS 132 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ixq s PHE 133 N -0.78 -0.30 0.56 2.13 5.36 -1.25 -5.16 117.98 118.54 3ixq s PHE 133 Ca 0.00 0.72 -0.15 0.00 -0.96 0.00 0.00 56.93 56.54 3ixq s PHE 133 Cb 0.00 0.04 -0.06 0.00 -0.34 0.00 0.00 43.02 42.66 3ixq s PHE 133 CO 0.00 -0.20 1.01 -1.25 -1.46 0.00 0.00 175.22 173.32 3ixq s PRO 134 N 0.99 3.77 -0.21 10.12 0.04 -1.26 -4.35 135.00 144.10 3ixq s PRO 134 Ca -0.07 0.92 -0.25 0.00 0.04 0.00 0.00 61.00 61.65 3ixq s PRO 134 Cb -0.08 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3ixq s PRO 134 CO -0.06 -0.43 0.81 0.42 0.04 0.00 0.00 177.00 177.78 3ixq s ILE 135 N -2.77 4.87 0.28 0.56 1.01 0.83 -4.72 121.20 121.26 3ixq s ILE 135 Ca 0.58 1.56 -0.29 0.00 0.00 0.00 0.00 60.65 62.50 3ixq s ILE 135 Cb -0.11 -4.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.16 3ixq s ILE 135 CO 0.39 -0.01 1.12 -2.84 0.00 0.00 0.00 174.94 173.60 3ixq s PRO 136 N 2.45 4.61 -0.10 2.79 0.02 -1.26 -1.16 135.00 142.35 3ixq s PRO 136 Ca 0.36 1.85 -0.01 0.00 0.02 0.00 0.00 61.00 63.22 3ixq s PRO 136 Cb -0.16 -3.18 0.03 0.00 0.02 0.00 0.00 34.50 31.21 3ixq s PRO 136 CO 0.10 0.16 -0.04 0.08 -0.33 0.00 0.00 177.00 176.97 3ixq s VAL 137 N -1.12 0.74 0.02 3.83 1.01 0.10 -0.48 120.40 124.50 3ixq s VAL 137 Ca 0.45 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 3ixq s VAL 137 Cb -0.33 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 3ixq s VAL 137 CO 0.42 0.32 0.77 -0.70 0.00 0.00 0.00 175.10 175.91 3ixq s GLU 138 N 1.82 4.49 -0.01 2.72 2.12 0.01 -1.03 118.70 128.82 3ixq s GLU 138 Ca 0.05 1.05 0.02 0.00 0.36 0.00 0.00 54.97 56.45 3ixq s GLU 138 Cb -0.12 -3.39 -0.00 0.00 0.26 0.00 0.00 34.13 30.87 3ixq s GLU 138 CO -0.07 0.21 -0.06 0.14 -0.54 0.00 0.00 175.26 174.93 3ixq s VAL 139 N 0.23 0.51 0.14 3.70 -7.23 -0.04 -0.93 120.40 116.78 3ixq s VAL 139 Ca 0.39 -0.26 -0.33 0.00 -1.81 0.00 0.00 61.98 59.98 3ixq s VAL 139 Cb -0.20 -0.45 -0.13 0.00 0.56 0.00 0.00 36.38 36.17 3ixq s VAL 139 CO 0.22 0.15 1.70 -0.38 -0.31 0.00 0.00 175.10 176.49 3ixq n ILE 140 N 3.06 0.13 -0.24 -0.62 2.08 -0.00 -1.24 119.36 122.53 3ixq n ILE 140 Ca -0.15 -0.02 0.12 0.00 0.56 0.00 0.00 62.75 63.26 3ixq n ILE 140 Cb 0.57 -1.81 0.40 0.00 -0.75 0.00 0.00 39.64 38.05 3ixq n ILE 140 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3ixq h PRO 141 N 7.02 0.63 0.00 0.38 0.11 -1.90 -0.20 132.00 138.04 3ixq h PRO 141 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ixq h PRO 141 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ixq h PRO 141 CO 0.92 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.79 3ixq h SER 142 N 0.65 0.00 -0.11 -2.05 4.64 -1.98 -3.04 113.55 111.66 3ixq h SER 142 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3ixq h SER 142 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3ixq h SER 142 CO -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.78 3ixq n ALA 143 N -1.90 2.43 -0.34 5.18 0.00 -0.09 -4.72 120.51 121.07 3ixq n ALA 143 Ca -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 53.44 52.66 3ixq n ALA 143 Cb 0.14 -0.55 0.09 0.00 0.00 0.00 0.00 19.45 19.13 3ixq n ALA 143 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3ixq h TYR 144 N 3.05 1.25 -0.14 0.00 -0.00 -1.58 0.18 116.97 119.73 3ixq h TYR 144 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.69 3ixq h TYR 144 Cb 0.69 -0.40 -0.01 0.00 -0.00 0.00 0.00 36.73 37.01 3ixq h TYR 144 CO 0.06 0.85 0.02 -0.09 -0.00 0.00 0.00 178.16 179.00 3ixq h ARG 145 N 1.28 0.23 0.00 0.10 2.43 -1.87 -0.82 114.38 115.73 3ixq h ARG 145 Ca 0.32 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 3ixq h ARG 145 Cb 0.01 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3ixq h ARG 145 CO -0.05 0.43 -0.37 -0.39 -1.51 0.00 0.00 179.97 178.07 3ixq h VAL 146 N -0.01 1.07 -0.32 0.20 -1.51 -1.80 -1.96 116.25 111.93 3ixq h VAL 146 Ca 0.04 -1.37 -0.15 0.00 -1.23 0.00 0.00 66.70 63.99 3ixq h VAL 146 Cb 0.32 1.78 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3ixq h VAL 146 CO 0.00 0.37 -0.37 0.58 -1.23 0.00 0.00 177.57 176.92 3ixq h VAL 147 N 0.00 1.29 -0.66 7.19 2.07 -0.76 -1.53 116.25 123.85 3ixq h VAL 147 Ca -0.00 -1.55 0.09 0.00 0.82 0.00 0.00 66.70 66.05 3ixq h VAL 147 Cb 0.75 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 3ixq h VAL 147 CO 0.05 0.51 0.32 0.40 0.02 0.00 0.00 177.57 178.86 3ixq h ILE 148 N 0.60 0.85 -0.14 4.57 2.04 -0.85 -0.13 117.51 124.44 3ixq h ILE 148 Ca 0.04 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3ixq h ILE 148 Cb 0.96 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3ixq h ILE 148 CO 0.09 0.10 0.09 -0.09 0.00 0.00 0.00 178.15 178.34 3ixq h ARG 149 N 0.55 0.18 -0.27 2.37 2.43 -1.23 -0.74 114.38 117.69 3ixq h ARG 149 Ca 0.32 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.51 3ixq h ARG 149 Cb 0.33 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3ixq h ARG 149 CO -0.26 0.14 0.08 0.00 -1.51 0.00 0.00 179.97 178.42 3ixq h ALA 150 N 1.03 0.29 -0.23 2.80 0.00 -0.79 -0.61 119.26 121.75 3ixq h ALA 150 Ca 0.05 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3ixq h ALA 150 Cb -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ixq h ALA 150 CO -0.01 -0.33 -0.18 -0.07 0.00 0.00 0.00 179.25 178.66 3ixq h LEU 151 N 0.20 0.39 -0.78 0.00 3.38 -0.88 -1.86 115.31 115.76 3ixq h LEU 151 Ca 0.12 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3ixq h LEU 151 Cb 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3ixq h LEU 151 CO -0.13 0.59 -0.07 0.28 0.09 0.00 0.00 178.44 179.21 3ixq h SER 152 N 0.37 0.83 0.10 -0.43 0.02 -0.65 0.04 113.55 113.83 3ixq h SER 152 Ca 0.07 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3ixq h SER 152 Cb 0.53 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3ixq h SER 152 CO 0.03 0.94 -0.15 -0.33 -1.14 0.00 0.00 176.83 176.18 3ixq h GLU 153 N 0.77 0.11 -0.00 3.45 5.08 -0.33 0.20 114.58 123.86 3ixq h GLU 153 Ca 0.14 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ixq h GLU 153 Cb 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3ixq h GLU 153 CO 0.03 0.26 0.00 -1.33 -1.00 0.00 0.00 179.01 176.98 3ixq n MET 154 N -4.31 1.07 -0.38 2.33 2.81 -0.89 -4.88 117.12 112.87 3ixq n MET 154 Ca -0.02 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 3ixq n MET 154 Cb 0.25 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 3ixq n MET 154 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ixq n GLY 155 N 1.00 0.79 3.90 3.03 0.00 0.06 -4.98 105.19 108.99 3ixq n GLY 155 Ca 0.23 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3ixq n GLY 155 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ixq s GLY 156 N -2.17 2.03 -0.39 -0.02 0.00 -0.04 -4.72 107.32 102.01 3ixq s GLY 156 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 44.72 44.08 3ixq s GLY 156 CO 0.00 -0.46 0.21 -0.54 0.00 0.00 0.00 173.10 172.31 3ixq s GLU 157 N -3.13 2.64 -0.10 2.90 2.02 -0.73 -3.96 118.70 118.34 3ixq s GLU 157 Ca 0.43 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 54.11 3ixq s GLU 157 Cb -0.11 -3.69 -0.02 0.00 0.10 0.00 0.00 34.13 30.41 3ixq s GLU 157 CO 0.27 -0.83 -0.10 0.00 0.02 0.00 0.00 175.26 174.62 3ixq s ALA 158 N 1.44 2.81 -0.03 5.21 0.00 -1.26 -1.41 121.76 128.52 3ixq s ALA 158 Ca 0.02 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3ixq s ALA 158 Cb -0.21 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.70 3ixq s ALA 158 CO 0.03 0.41 -0.04 0.08 0.00 0.00 0.00 175.76 176.24 3ixq s VAL 159 N -0.24 0.42 0.19 0.00 1.01 0.01 -4.97 120.40 116.82 3ixq s VAL 159 Ca 0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 3ixq s VAL 159 Cb -0.13 -0.44 -0.08 0.00 0.00 0.00 0.00 36.38 35.72 3ixq s VAL 159 CO 0.03 0.18 1.30 -0.63 0.00 0.00 0.00 175.10 175.97 3ixq s ILE 160 N 0.67 3.29 -0.16 2.22 1.01 -1.26 -1.07 121.20 125.89 3ixq s ILE 160 Ca -0.08 1.05 -0.28 0.00 0.00 0.00 0.00 60.65 61.34 3ixq s ILE 160 Cb -0.11 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 3ixq s ILE 160 CO -0.00 0.15 0.97 -0.60 0.00 0.00 0.00 174.94 175.46 3ixq s ARG 161 N -0.03 4.34 0.16 2.79 3.52 0.20 -4.91 118.95 125.02 3ixq s ARG 161 Ca 0.57 1.29 0.05 0.00 -0.13 0.00 0.00 55.73 57.51 3ixq s ARG 161 Cb -0.36 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 3ixq s ARG 161 CO 0.37 -0.42 0.10 -0.51 -0.81 0.00 0.00 175.30 174.04 3ixq s LEU 162 N 2.42 3.69 0.39 -0.88 1.43 -1.26 -0.64 118.68 123.83 3ixq s LEU 162 Ca 0.44 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 3ixq s LEU 162 Cb -0.17 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 3ixq s LEU 162 CO 0.13 0.08 0.04 -0.83 0.23 0.00 0.00 176.35 175.99 3ixq s GLY 163 N -3.04 2.36 -0.03 -3.19 0.00 -0.26 -4.67 107.32 98.50 3ixq s GLY 163 Ca 0.30 -2.18 0.06 0.00 0.00 0.00 0.00 44.72 42.89 3ixq s GLY 163 CO 0.22 -2.02 0.09 2.09 0.00 0.00 0.00 173.10 173.48 3ixq n ASP 164 N -1.01 3.61 0.04 1.64 5.68 -1.26 -4.28 116.55 120.98 3ixq n ASP 164 Ca -0.04 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.37 3ixq n ASP 164 Cb 0.65 1.03 0.16 0.00 -1.14 0.00 0.00 41.12 41.82 3ixq n ASP 164 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ixq n ARG 165 N -1.91 0.25 -4.11 0.11 5.12 -1.26 -4.70 116.66 110.16 3ixq n ARG 165 Ca -0.04 0.06 -0.16 0.00 -1.93 0.00 0.00 57.85 55.77 3ixq n ARG 165 Cb 0.36 -1.64 -0.15 0.00 -1.16 0.00 0.00 32.46 29.87 3ixq n ARG 165 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3ixq s LYS 166 N -3.15 0.45 0.34 5.56 2.20 -1.26 -5.14 119.74 118.74 3ixq s LYS 166 Ca 0.06 -0.12 -0.29 0.00 -0.36 0.00 0.00 55.97 55.26 3ixq s LYS 166 Cb 0.14 -0.47 -0.10 0.00 -1.51 0.00 0.00 37.83 35.89 3ixq s LYS 166 CO 0.73 0.04 1.33 1.03 -0.36 0.00 0.00 175.35 178.12 3ixq s ARG 167 N 0.23 4.31 0.77 4.03 1.81 -1.26 -4.25 118.95 124.59 3ixq s ARG 167 Ca -0.02 2.27 0.00 0.00 -1.72 0.00 0.00 55.73 56.25 3ixq s ARG 167 Cb -0.06 -3.05 0.00 0.00 -0.45 0.00 0.00 34.95 31.39 3ixq s ARG 167 CO -0.00 -0.24 0.00 0.41 -0.68 0.00 0.00 175.30 174.78 3ixq n GLY 168 N 0.75 -1.76 3.69 -3.53 0.00 -1.26 -4.94 105.19 98.14 3ixq n GLY 168 Ca 0.00 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3ixq n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ixq n PRO 169 N 0.00 1.96 -2.03 1.61 -0.02 -1.26 -1.10 135.00 134.16 3ixq n PRO 169 Ca 0.00 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 3ixq n PRO 169 Cb 0.00 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.14 3ixq n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ixq s VAL 170 N -1.15 2.72 -0.14 -1.45 1.01 0.18 -4.67 120.40 116.89 3ixq s VAL 170 Ca 0.58 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.13 3ixq s VAL 170 Cb -0.54 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3ixq s VAL 170 CO 0.60 0.09 -0.05 -0.63 0.00 0.00 0.00 175.10 175.11 3ixq s ILE 171 N 0.06 3.76 0.96 2.22 -1.09 -1.26 -3.76 121.20 122.08 3ixq s ILE 171 Ca 0.59 -0.41 -0.12 0.00 -2.23 0.00 0.00 60.65 58.48 3ixq s ILE 171 Cb -0.41 -2.62 0.16 0.00 -1.58 0.00 0.00 42.46 38.01 3ixq s ILE 171 CO 0.42 0.51 1.12 0.42 -1.23 0.00 0.00 174.94 176.18 3ixq s THR 172 N 0.21 1.99 0.65 2.92 -4.23 0.12 -4.88 115.64 112.42 3ixq s THR 172 Ca -0.03 0.00 0.37 0.00 -1.18 0.00 0.00 61.69 60.85 3ixq s THR 172 Cb -0.14 -2.64 0.39 0.00 1.34 0.00 0.00 72.50 71.45 3ixq s THR 172 CO 0.03 0.00 2.21 0.44 -0.54 0.00 0.00 174.62 176.76 3ixq h ASP 173 N -1.70 0.00 -0.17 3.99 3.32 -1.90 -0.44 116.42 119.52 3ixq h ASP 173 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3ixq h ASP 173 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3ixq h ASP 173 CO 0.60 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.71 3ixq n ASN 174 N -3.23 2.32 0.00 6.45 3.02 -1.26 -4.97 115.26 117.59 3ixq n ASN 174 Ca -0.02 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 3ixq n ASN 174 Cb 0.19 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3ixq n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ixq n GLY 175 N 1.27 0.42 3.87 7.41 0.00 -0.17 -5.07 105.19 112.92 3ixq n GLY 175 Ca 0.17 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 3ixq n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ixq s ASN 176 N -2.80 4.93 0.60 1.61 0.01 -1.26 -4.83 114.94 113.21 3ixq s ASN 176 Ca 0.00 -0.85 0.01 0.00 -0.71 0.00 0.00 52.86 51.31 3ixq s ASN 176 Cb 0.00 -0.39 0.06 0.00 0.41 0.00 0.00 41.25 41.33 3ixq s ASN 176 CO 0.00 -0.73 0.84 -0.04 -1.51 0.00 0.00 177.10 175.65 3ixq s MET 177 N -4.15 2.28 -0.08 -0.60 -1.94 -0.38 -0.70 119.30 113.73 3ixq s MET 177 Ca 0.46 -0.94 0.01 0.00 -1.71 0.00 0.00 55.69 53.51 3ixq s MET 177 Cb -0.02 -2.46 0.02 0.00 2.01 0.00 0.00 34.83 34.38 3ixq s MET 177 CO 0.27 -0.93 -0.11 0.42 -0.01 0.00 0.00 175.02 174.66 3ixq s ILE 178 N -2.86 1.12 -0.13 2.53 1.01 -1.25 -0.86 121.20 120.76 3ixq s ILE 178 Ca 0.60 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 3ixq s ILE 178 Cb -0.09 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 3ixq s ILE 178 CO 0.40 0.36 -0.09 -0.63 0.00 0.00 0.00 174.94 174.98 3ixq s ILE 179 N 0.96 3.45 -0.16 2.92 1.01 -0.20 -0.63 121.20 128.56 3ixq s ILE 179 Ca -0.09 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 3ixq s ILE 179 Cb -0.15 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3ixq s ILE 179 CO 0.00 0.52 0.02 -1.81 0.00 0.00 0.00 174.94 173.67 3ixq s ASP 180 N 0.19 5.32 -0.08 3.58 1.01 -0.24 0.02 116.67 126.48 3ixq s ASP 180 Ca -0.05 0.03 -0.00 0.00 0.71 0.00 0.00 52.55 53.24 3ixq s ASP 180 Cb -0.15 -1.84 0.02 0.00 1.01 0.00 0.00 42.92 41.97 3ixq s ASP 180 CO 0.04 0.21 -0.04 0.54 0.21 0.00 0.00 175.17 176.13 3ixq s VAL 181 N 0.14 0.62 -0.09 -1.27 0.11 -0.31 -0.81 120.40 118.79 3ixq s VAL 181 Ca 0.02 -0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 58.71 3ixq s VAL 181 Cb -0.13 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 3ixq s VAL 181 CO 0.01 0.28 1.04 -0.36 -3.33 0.00 0.00 175.10 172.74 3ixq s PHE 182 N 1.59 3.47 0.03 1.54 0.08 -0.50 -0.12 117.98 124.07 3ixq s PHE 182 Ca 0.00 1.54 0.01 0.00 0.12 0.00 0.00 56.93 58.60 3ixq s PHE 182 Cb -0.13 -3.22 -0.02 0.00 -0.57 0.00 0.00 43.02 39.07 3ixq s PHE 182 CO -0.04 -0.39 -0.05 -1.64 -0.10 0.00 0.00 175.22 173.00 3ixq s MET 183 N 1.98 0.45 -0.67 0.44 -1.94 -1.26 -1.77 119.30 116.52 3ixq s MET 183 Ca 0.50 -0.74 -0.23 0.00 -1.71 0.00 0.00 55.69 53.51 3ixq s MET 183 Cb -0.19 -0.09 0.06 0.00 2.01 0.00 0.00 34.83 36.62 3ixq s MET 183 CO 0.19 -0.00 1.03 1.21 -0.01 0.00 0.00 175.02 177.44 3ixq s ASN 184 N -1.65 6.17 -0.54 3.03 2.47 -1.26 -4.58 114.94 118.59 3ixq s ASN 184 Ca -0.11 -0.87 -0.25 0.00 0.42 0.00 0.00 52.86 52.05 3ixq s ASN 184 Cb -0.09 -2.45 0.04 0.00 -1.45 0.00 0.00 41.25 37.30 3ixq s ASN 184 CO -0.01 -1.52 0.98 -0.63 -3.72 0.00 0.00 177.10 172.20 3ixq s ILE 185 N 4.40 4.35 -0.10 -5.21 1.01 -1.26 -4.89 121.20 119.50 3ixq s ILE 185 Ca 0.25 0.48 -0.13 0.00 0.00 0.00 0.00 60.65 61.25 3ixq s ILE 185 Cb -0.15 -4.55 -0.11 0.00 0.01 0.00 0.00 42.46 37.66 3ixq s ILE 185 CO 0.11 -1.09 0.43 0.44 0.00 0.00 0.00 174.94 174.83 3ixq h ASP 186 N 9.30 -0.06 -3.33 3.58 3.32 -1.94 -3.45 116.42 123.83 3ixq h ASP 186 Ca -0.25 -0.36 -0.60 0.00 0.02 0.00 0.00 57.03 55.84 3ixq h ASP 186 Cb 1.07 0.02 -0.40 0.00 0.22 0.00 0.00 39.33 40.24 3ixq h ASP 186 CO 1.09 0.59 -0.75 -0.62 -1.72 0.00 0.00 179.24 177.83 3ixq s ASP 187 N -5.69 3.77 0.24 6.45 -1.08 -1.26 -5.01 116.67 114.09 3ixq s ASP 187 Ca -0.08 -2.25 -0.06 0.00 -0.52 0.00 0.00 52.55 49.64 3ixq s ASP 187 Cb -0.01 -0.96 0.32 0.00 -1.46 0.00 0.00 42.92 40.82 3ixq s ASP 187 CO 0.30 -0.32 1.85 0.00 0.52 0.00 0.00 175.17 177.52 3ixq h ALA 188 N 7.23 1.16 -0.25 3.66 0.00 -1.99 -0.68 119.26 128.38 3ixq h ALA 188 Ca -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ixq h ALA 188 Cb 0.96 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ixq h ALA 188 CO 0.46 0.28 0.15 0.82 0.00 0.00 0.00 179.25 180.96 3ixq h ILE 189 N 0.97 1.10 -0.25 0.00 2.04 -1.97 -0.75 117.51 118.65 3ixq h ILE 189 Ca 0.37 -0.25 -0.16 0.00 1.00 0.00 0.00 64.86 65.82 3ixq h ILE 189 Cb 0.15 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3ixq h ILE 189 CO -0.17 0.10 -0.49 -0.08 0.00 0.00 0.00 178.15 177.51 3ixq h GLU 190 N 0.31 0.69 -0.38 2.37 4.57 -1.93 -2.75 114.58 117.46 3ixq h GLU 190 Ca 0.09 -0.41 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 3ixq h GLU 190 Cb 0.03 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3ixq h GLU 190 CO -0.02 1.02 0.12 1.25 -1.18 0.00 0.00 179.01 180.20 3ixq h LEU 191 N 0.54 0.55 -0.50 1.64 5.85 -0.93 0.51 115.31 122.97 3ixq h LEU 191 Ca 0.02 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.63 3ixq h LEU 191 Cb 1.05 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 3ixq h LEU 191 CO 0.10 0.61 0.03 -0.08 -0.34 0.00 0.00 178.44 178.76 3ixq h GLU 192 N 0.46 0.14 -0.29 1.25 4.81 -1.13 0.12 114.58 119.95 3ixq h GLU 192 Ca 0.12 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3ixq h GLU 192 Cb 0.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3ixq h GLU 192 CO -0.00 0.09 0.09 -0.22 -0.73 0.00 0.00 179.01 178.24 3ixq h LYS 193 N 0.14 0.44 -0.61 1.92 3.64 -1.16 -2.50 116.57 118.46 3ixq h LYS 193 Ca 0.26 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3ixq h LYS 193 Cb 0.38 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3ixq h LYS 193 CO -0.40 0.50 0.25 0.93 -2.27 0.00 0.00 179.45 178.46 3ixq h GLU 194 N 0.30 0.90 -0.50 1.90 5.08 -0.46 -2.51 114.58 119.29 3ixq h GLU 194 Ca 0.09 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3ixq h GLU 194 Cb 0.24 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3ixq h GLU 194 CO -0.00 0.76 0.27 0.82 -1.00 0.00 0.00 179.01 179.86 3ixq h ILE 195 N 0.84 1.18 0.00 3.13 2.04 -0.74 -2.03 117.51 121.93 3ixq h ILE 195 Ca 0.20 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3ixq h ILE 195 Cb 0.19 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3ixq h ILE 195 CO -0.02 0.19 0.00 0.78 0.00 0.00 0.00 178.15 179.10 3ixq h ASN 196 N 0.67 0.00 -0.12 1.72 2.35 -1.26 -2.12 115.58 116.81 3ixq h ASN 196 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3ixq h ASN 196 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3ixq h ASN 196 CO -0.03 0.00 0.00 -3.20 -1.65 0.00 0.00 177.43 172.55 3ixq n ASN 197 N -3.06 1.80 -4.68 5.81 5.15 -0.77 -4.81 115.26 114.70 3ixq n ASN 197 Ca -0.02 -1.67 -0.42 0.00 -0.60 0.00 0.00 54.58 51.87 3ixq n ASN 197 Cb 0.16 -0.07 -0.03 0.00 -0.53 0.00 0.00 39.78 39.31 3ixq n ASN 197 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ixq s ILE 198 N -1.85 4.25 0.15 -1.44 1.01 -0.80 -4.97 121.20 117.54 3ixq s ILE 198 Ca 0.34 1.55 -0.33 0.00 0.00 0.00 0.00 60.65 62.22 3ixq s ILE 198 Cb 0.19 -4.00 -0.12 0.00 0.01 0.00 0.00 42.46 38.54 3ixq s ILE 198 CO 0.29 -0.05 1.71 -2.65 0.00 0.00 0.00 174.94 174.25 3ixq n PRO 199 N 5.67 2.51 0.00 2.79 -0.02 -1.26 -1.28 135.00 143.40 3ixq n PRO 199 Ca 0.12 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3ixq n PRO 199 Cb 0.46 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 3ixq n PRO 199 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ixq n GLY 200 N 3.87 2.00 3.68 -1.23 0.00 -1.26 -4.69 105.19 107.56 3ixq n GLY 200 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ixq n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixq s VAL 201 N -2.50 4.86 -0.15 1.61 1.01 -0.41 -0.82 120.40 124.00 3ixq s VAL 201 Ca 0.00 1.79 -0.23 0.00 0.00 0.00 0.00 61.98 63.54 3ixq s VAL 201 Cb 0.00 -4.20 -0.24 0.00 0.00 0.00 0.00 36.38 31.94 3ixq s VAL 201 CO 0.00 0.05 0.53 0.58 0.00 0.00 0.00 175.10 176.26 3ixq h VAL 202 N 5.09 1.29 -2.05 2.92 2.07 -1.35 -3.47 116.25 120.74 3ixq h VAL 202 Ca -0.32 -2.31 0.12 0.00 0.82 0.00 0.00 66.70 65.01 3ixq h VAL 202 Cb 1.15 2.81 -0.17 0.00 -1.52 0.00 0.00 31.29 33.56 3ixq h VAL 202 CO 0.83 0.54 0.54 -0.70 0.02 0.00 0.00 177.57 178.80 3ixq s GLU 203 N -2.34 0.72 0.30 1.57 2.56 -1.23 -5.01 118.70 115.27 3ixq s GLU 203 Ca -0.22 -0.19 0.05 0.00 0.00 0.00 0.00 54.97 54.60 3ixq s GLU 203 Cb 0.02 0.33 -0.06 0.00 2.00 0.00 0.00 34.13 36.42 3ixq s GLU 203 CO 0.68 -0.30 0.01 0.54 -0.56 0.00 0.00 175.26 175.64 3ixq s ASN 204 N -2.19 2.48 0.00 -1.70 2.20 -1.26 -0.81 114.94 113.65 3ixq s ASN 204 Ca 0.04 -1.30 0.23 0.00 -0.94 0.00 0.00 52.86 50.89 3ixq s ASN 204 Cb -0.01 -0.11 0.84 0.00 -2.00 0.00 0.00 41.25 39.97 3ixq s ASN 204 CO -0.06 -0.51 1.61 0.61 -2.94 0.00 0.00 177.10 175.80 3ixq n GLY 205 N -0.63 0.17 3.69 0.45 0.00 0.36 -4.80 105.19 104.44 3ixq n GLY 205 Ca -0.04 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3ixq n GLY 205 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixq s ILE 206 N -1.85 4.18 -0.15 -0.61 1.01 -1.26 -0.81 121.20 121.72 3ixq s ILE 206 Ca 0.34 1.52 0.01 0.00 0.00 0.00 0.00 60.65 62.52 3ixq s ILE 206 Cb 0.18 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3ixq s ILE 206 CO 0.28 0.02 -0.17 -0.36 0.00 0.00 0.00 174.94 174.71 3ixq s PHE 207 N 2.00 2.74 -0.02 3.97 2.99 -0.03 -4.95 117.98 124.68 3ixq s PHE 207 Ca 0.57 -1.11 0.03 0.00 0.00 0.00 0.00 56.93 56.42 3ixq s PHE 207 Cb -0.26 -1.86 0.05 0.00 0.00 0.00 0.00 43.02 40.95 3ixq s PHE 207 CO 0.24 -0.50 0.98 0.25 -0.00 0.00 0.00 175.22 176.18 3ixq n THR 208 N 4.03 1.04 -4.31 0.64 -2.24 -1.26 -0.58 114.28 111.60 3ixq n THR 208 Ca -0.19 -1.11 -0.27 0.00 -2.27 0.00 0.00 64.05 60.20 3ixq n THR 208 Cb 0.52 0.41 -0.17 0.00 -2.10 0.00 0.00 70.33 68.99 3ixq n THR 208 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ixq s LYS 209 N -1.22 1.90 -0.05 -0.78 1.02 -1.26 -4.95 119.74 114.40 3ixq s LYS 209 Ca 0.06 -0.44 -0.24 0.00 0.02 0.00 0.00 55.97 55.37 3ixq s LYS 209 Cb 0.05 -1.70 0.05 0.00 -0.52 0.00 0.00 37.83 35.72 3ixq s LYS 209 CO 0.01 -0.11 0.53 0.54 -0.92 0.00 0.00 175.35 175.39 3ixq s VAL 210 N 1.14 0.02 -0.20 3.17 0.11 -1.26 -4.88 120.40 118.49 3ixq s VAL 210 Ca -0.05 -0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 58.62 3ixq s VAL 210 Cb -0.14 -0.83 -0.19 0.00 -1.53 0.00 0.00 36.38 33.68 3ixq s VAL 210 CO -0.03 -0.10 0.20 0.47 -3.33 0.00 0.00 175.10 172.31 3ixq n ASP 211 N 1.18 1.89 -3.49 3.54 8.00 -0.49 -4.92 116.55 122.27 3ixq n ASP 211 Ca -0.20 0.40 -0.14 0.00 0.71 0.00 0.00 54.79 55.56 3ixq n ASP 211 Cb 0.57 -0.95 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 3ixq n ASP 211 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3ixq s LYS 212 N -2.39 1.17 -0.17 -1.24 -2.85 -1.07 -4.60 119.74 108.59 3ixq s LYS 212 Ca -0.29 -0.24 0.01 0.00 -1.00 0.00 0.00 55.97 54.46 3ixq s LYS 212 Cb 0.06 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.39 3ixq s LYS 212 CO 0.60 -0.46 -0.19 0.08 0.10 0.00 0.00 175.35 175.48 3ixq s VAL 213 N -2.80 2.18 -0.15 1.79 1.01 0.05 -1.33 120.40 121.15 3ixq s VAL 213 Ca -0.03 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 3ixq s VAL 213 Cb -0.01 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3ixq s VAL 213 CO -0.05 0.53 0.49 -0.76 0.00 0.00 0.00 175.10 175.32 3ixq s LEU 214 N 1.14 4.23 -0.17 3.92 1.02 0.37 0.04 118.68 129.22 3ixq s LEU 214 Ca 0.01 0.76 0.01 0.00 0.02 0.00 0.00 54.13 54.93 3ixq s LEU 214 Cb -0.14 -2.69 0.03 0.00 0.02 0.00 0.00 46.19 43.41 3ixq s LEU 214 CO -0.08 -0.06 -0.15 -0.69 0.02 0.00 0.00 176.35 175.39 3ixq s VAL 215 N 0.98 1.75 -0.18 -1.59 1.01 0.18 -1.55 120.40 121.00 3ixq s VAL 215 Ca 0.25 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 3ixq s VAL 215 Cb -0.15 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3ixq s VAL 215 CO 0.10 0.40 0.97 -0.83 0.00 0.00 0.00 175.10 175.74 3ixq s GLY 216 N 1.40 1.99 0.23 4.51 0.00 0.01 -1.11 107.32 114.34 3ixq s GLY 216 Ca 0.03 0.18 0.05 0.00 0.00 0.00 0.00 44.72 44.98 3ixq s GLY 216 CO -0.11 1.96 -0.05 -0.51 0.00 0.00 0.00 173.10 174.40 3ixq s THR 217 N 2.59 1.33 0.53 0.90 -4.23 -0.65 -1.51 115.64 114.59 3ixq s THR 217 Ca 0.43 -2.09 0.21 0.00 -1.18 0.00 0.00 61.69 59.07 3ixq s THR 217 Cb -0.16 -2.29 0.34 0.00 1.34 0.00 0.00 72.50 71.72 3ixq s THR 217 CO 0.11 -0.39 2.07 0.11 -0.54 0.00 0.00 174.62 175.97 3ixq h LYS 218 N 2.45 0.00 -0.17 3.99 1.79 -1.99 -1.32 116.57 121.32 3ixq h LYS 218 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 3ixq h LYS 218 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 3ixq h LYS 218 CO 0.65 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.65 3ixq n LYS 219 N -4.44 1.94 0.00 3.15 5.02 -1.26 -5.03 118.16 117.54 3ixq n LYS 219 Ca 0.04 -1.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 3ixq n LYS 219 Cb 0.37 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3ixq n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ixq n GLY 220 N 1.24 0.82 3.62 0.72 0.00 -0.50 -5.03 105.19 106.05 3ixq n GLY 220 Ca 0.17 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 3ixq n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixq s VAL 221 N -0.96 4.95 0.10 1.61 1.01 -1.26 -1.64 120.40 124.21 3ixq s VAL 221 Ca 0.00 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.08 3ixq s VAL 221 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3ixq s VAL 221 CO 0.00 -0.04 0.23 -1.59 0.00 0.00 0.00 175.10 173.70 3ixq s LYS 222 N 2.58 3.38 -0.19 2.72 -2.85 -0.27 -4.90 119.74 120.20 3ixq s LYS 222 Ca 0.27 -0.54 -0.01 0.00 -1.00 0.00 0.00 55.97 54.68 3ixq s LYS 222 Cb -0.15 -2.97 0.00 0.00 -2.06 0.00 0.00 37.83 32.65 3ixq s LYS 222 CO 0.09 0.57 -0.11 0.99 0.10 0.00 0.00 175.35 176.99 3ixq s THR 223 N -1.61 2.83 -0.13 3.79 2.01 -1.26 -0.64 115.64 120.63 3ixq s THR 223 Ca 0.34 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 3ixq s THR 223 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 3ixq s THR 223 CO 0.28 0.48 0.04 -0.76 -0.69 0.00 0.00 174.62 173.96 3ixq s LEU 224 N 1.25 3.75 0.07 4.42 1.43 0.11 -4.96 118.68 124.75 3ixq s LEU 224 Ca 0.03 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.22 3ixq s LEU 224 Cb -0.14 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 3ixq s LEU 224 CO -0.05 0.30 0.11 -1.59 0.23 0.00 0.00 176.35 175.34 3ixq s LYS 225 N -0.39 0.74 0.00 1.70 -2.85 -1.26 -0.77 119.74 116.91 3ixq s LYS 225 Ca 0.08 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.02 3ixq s LYS 225 Cb -0.12 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 3ixq s LYS 225 CO 0.02 -0.20 0.00 1.63 0.10 0.00 0.00 175.35 176.90