#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 -5.95 -0.34 4.04 4.13 -1.26 -4.90 115.26 110.98 3ixq n ASN 3 Ca 0.00 -0.16 -0.03 0.00 1.68 0.00 0.00 54.58 56.07 3ixq n ASN 3 Cb 0.00 -4.88 0.09 0.00 -1.54 0.00 0.00 39.78 33.45 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 -0.73 1.20 -0.17 3.52 3.07 -2.04 -0.57 114.58 118.86 3ixq h GLU 4 Ca -0.51 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 58.17 3ixq h GLU 4 Cb 1.36 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 3ixq h GLU 4 CO 0.57 0.80 -0.35 -0.44 -1.40 0.00 0.00 179.01 178.20 3ixq h ASP 5 N 1.23 0.37 -0.52 1.42 3.32 -1.99 -0.82 116.42 119.43 3ixq h ASP 5 Ca 0.33 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3ixq h ASP 5 Cb -0.12 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3ixq h ASP 5 CO -0.07 0.69 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.02 3ixq h LEU 6 N 0.30 0.94 -0.80 1.55 3.38 -1.64 -1.66 115.31 117.38 3ixq h LEU 6 Ca 0.04 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3ixq h LEU 6 Cb 0.76 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3ixq h LEU 6 CO 0.06 1.05 0.38 0.11 0.09 0.00 0.00 178.44 180.13 3ixq h LYS 7 N 0.81 1.16 -0.55 1.13 1.57 -0.89 -2.62 116.57 117.18 3ixq h LYS 7 Ca 0.14 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3ixq h LYS 7 Cb 0.59 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3ixq h LYS 7 CO 0.04 0.89 0.14 1.25 -0.57 0.00 0.00 179.45 181.20 3ixq h LEU 8 N 1.14 0.83 -0.85 2.94 5.85 -0.89 -1.40 115.31 122.93 3ixq h LEU 8 Ca 0.28 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3ixq h LEU 8 Cb 0.12 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3ixq h LEU 8 CO -0.03 0.85 -0.24 0.07 -0.34 0.00 0.00 178.44 178.74 3ixq h LYS 9 N 0.78 0.58 -0.32 1.25 2.10 -1.16 -0.96 116.57 118.83 3ixq h LYS 9 Ca 0.17 -0.22 -0.14 0.00 -2.00 0.00 0.00 60.65 58.45 3ixq h LYS 9 Cb 0.34 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3ixq h LYS 9 CO 0.00 0.77 -0.37 -0.39 -2.00 0.00 0.00 179.45 177.47 3ixq h VAL 10 N 0.51 1.29 -0.75 0.07 -1.51 -1.33 -2.27 116.25 112.26 3ixq h VAL 10 Ca 0.07 -1.55 0.04 0.00 -1.23 0.00 0.00 66.70 64.03 3ixq h VAL 10 Cb 0.69 1.54 -0.05 0.00 -2.13 0.00 0.00 31.29 31.34 3ixq h VAL 10 CO 0.05 0.50 0.47 0.00 -1.23 0.00 0.00 177.57 177.37 3ixq h ALA 11 N 0.72 0.99 -0.41 5.19 0.00 -0.94 0.20 119.26 125.00 3ixq h ALA 11 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3ixq h ALA 11 Cb 0.96 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3ixq h ALA 11 CO 0.09 0.25 -0.12 0.87 0.00 0.00 0.00 179.25 180.34 3ixq h LYS 12 N 0.91 0.74 -0.10 0.00 1.57 -1.05 -2.24 116.57 116.40 3ixq h LYS 12 Ca 0.31 -0.25 -0.24 0.00 -1.87 0.00 0.00 60.65 58.60 3ixq h LYS 12 Cb 0.04 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.31 3ixq h LYS 12 CO -0.12 0.84 -0.86 1.49 -0.57 0.00 0.00 179.45 180.22 3ixq h GLU 13 N 0.67 0.77 -0.77 3.15 4.57 -1.05 -3.29 114.58 118.62 3ixq h GLU 13 Ca 0.11 -0.68 0.02 0.00 -1.18 0.00 0.00 59.36 57.62 3ixq h GLU 13 Cb 0.59 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 3ixq h GLU 13 CO 0.04 1.28 0.51 0.00 -1.18 0.00 0.00 179.01 179.65 3ixq h ALA 14 N 0.50 0.99 0.00 2.92 0.00 -0.44 -2.67 119.26 120.56 3ixq h ALA 14 Ca -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ixq h ALA 14 Cb 1.50 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ixq h ALA 14 CO 0.17 0.36 -0.08 -0.24 0.00 0.00 0.00 179.25 179.47 3ixq h VAL 15 N 1.02 0.58 0.00 0.00 3.04 -1.48 -1.28 116.25 118.14 3ixq h VAL 15 Ca 0.29 -0.33 -0.00 0.00 -1.01 0.00 0.00 66.70 65.65 3ixq h VAL 15 Cb -0.07 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.41 3ixq h VAL 15 CO -0.08 0.07 -0.02 0.11 -1.01 0.00 0.00 177.57 176.65 3ixq h LYS 16 N 0.00 0.00 0.00 4.17 1.57 -1.58 -2.60 116.57 118.13 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 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3ixq h LYS 16 CO 0.01 0.02 0.00 -0.07 -0.57 0.00 0.00 179.45 178.84 3ixq h LEU 17 N 0.00 0.00 -9.60 2.94 3.38 -1.37 -3.44 115.31 107.22 3ixq h LEU 17 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3ixq h LEU 17 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ixq h LEU 17 CO 0.00 0.00 0.50 -0.69 0.09 0.00 0.00 178.44 178.34 3ixq s VAL 18 N -3.22 3.93 0.13 1.22 1.01 -0.98 -5.05 120.40 117.44 3ixq s VAL 18 Ca 0.08 1.57 0.09 0.00 0.00 0.00 0.00 61.98 63.72 3ixq s VAL 18 Cb 0.10 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3ixq s VAL 18 CO 0.57 0.22 -0.18 -0.54 0.00 0.00 0.00 175.10 175.17 3ixq s LYS 19 N 0.08 1.78 0.28 2.72 1.02 -1.26 -5.09 119.74 119.26 3ixq s LYS 19 Ca 0.52 -1.23 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 3ixq s LYS 19 Cb -0.29 -2.09 -0.13 0.00 -0.52 0.00 0.00 37.83 34.80 3ixq s LYS 19 CO 0.33 0.47 1.28 -3.47 -0.92 0.00 0.00 175.35 173.04 3ixq n ASP 20 N 0.66 2.43 0.00 2.83 2.03 -1.26 -1.98 116.55 121.25 3ixq n ASP 20 Ca -0.15 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.34 3ixq n ASP 20 Cb 0.53 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 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 1.46 1.08 3.85 0.27 0.00 0.46 -4.99 105.19 107.32 3ixq n GLY 21 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.51 3.89 -0.22 1.61 -1.94 -0.84 -4.92 119.30 116.38 3ixq s MET 22 Ca 0.00 0.86 -0.08 0.00 -1.71 0.00 0.00 55.69 54.76 3ixq s MET 22 Cb 0.00 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.63 3ixq s MET 22 CO 0.00 -0.26 0.09 0.08 -0.01 0.00 0.00 175.02 174.91 3ixq s VAL 23 N -2.64 4.75 -0.09 -6.03 1.01 -1.26 -2.18 120.40 113.95 3ixq s VAL 23 Ca 0.57 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.55 3ixq s VAL 23 Cb -0.10 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3ixq s VAL 23 CO 0.33 0.38 -0.21 -0.63 0.00 0.00 0.00 175.10 174.98 3ixq s ILE 24 N 1.01 2.40 -0.07 2.22 -1.09 0.23 -0.63 121.20 125.26 3ixq s ILE 24 Ca 0.05 -0.92 -0.30 0.00 -2.23 0.00 0.00 60.65 57.25 3ixq s ILE 24 Cb -0.14 -1.93 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 3ixq s ILE 24 CO 0.03 0.56 1.11 -0.83 -1.23 0.00 0.00 174.94 174.58 3ixq s GLY 25 N 0.10 2.24 -0.42 6.18 0.00 -0.01 -1.08 107.32 114.32 3ixq s GLY 25 Ca -0.10 0.52 -0.12 0.00 0.00 0.00 0.00 44.72 45.02 3ixq s GLY 25 CO 0.06 2.07 0.29 1.08 0.00 0.00 0.00 173.10 176.60 3ixq s LEU 26 N 2.07 5.18 0.00 0.66 1.43 0.04 -1.08 118.68 126.98 3ixq s LEU 26 Ca 0.53 -1.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.18 3ixq s LEU 26 Cb -0.22 -2.07 0.29 0.00 0.03 0.00 0.00 46.19 44.21 3ixq s LEU 26 CO 0.21 -0.52 1.07 0.61 0.23 0.00 0.00 176.35 177.94 3ixq n GLY 27 N 5.05 -2.66 3.27 -3.19 0.00 0.09 -1.79 105.19 105.97 3ixq n GLY 27 Ca -0.11 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.98 1.73 0.00 2.61 2.01 -1.26 -4.65 115.64 113.10 3ixq s THR 28 Ca 0.69 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 61.38 3ixq s THR 28 Cb -0.06 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.93 3ixq s THR 28 CO 0.52 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 3ixq n GLY 29 N 1.65 1.92 0.28 4.40 0.00 -1.26 -4.20 105.19 107.99 3ixq n GLY 29 Ca -0.18 -2.10 -0.02 0.00 0.00 0.00 0.00 46.02 43.73 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 0.71 -0.18 1.61 4.64 -1.99 0.44 113.55 118.77 3ixq h SER 30 Ca 0.00 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 3ixq h SER 30 Cb 0.00 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3ixq h SER 30 CO 0.00 0.48 -0.19 0.74 -0.87 0.00 0.00 176.83 176.98 3ixq h THR 31 N 0.85 1.34 -0.92 2.95 2.02 -1.92 -2.63 112.91 114.59 3ixq h THR 31 Ca 0.30 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 3ixq h THR 31 Cb 0.09 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 3ixq h THR 31 CO -0.14 0.41 0.56 0.00 0.37 0.00 0.00 175.52 176.72 3ixq h ALA 32 N 0.63 1.24 -0.85 6.16 0.00 -1.76 -2.34 119.26 122.35 3ixq h ALA 32 Ca 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3ixq h ALA 32 Cb 0.74 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3ixq h ALA 32 CO 0.05 0.65 0.53 0.00 0.00 0.00 0.00 179.25 180.48 3ixq h ALA 33 N 1.34 1.15 -0.82 0.00 0.00 -0.79 0.13 119.26 120.27 3ixq h ALA 33 Ca 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3ixq h ALA 33 Cb -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3ixq h ALA 33 CO -0.06 0.31 0.42 -0.07 0.00 0.00 0.00 179.25 179.84 3ixq h LEU 34 N 0.99 1.05 -0.59 0.00 3.38 -1.18 -1.76 115.31 117.21 3ixq h LEU 34 Ca 0.36 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3ixq h LEU 34 Cb 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3ixq h LEU 34 CO -0.15 0.87 0.35 0.15 0.09 0.00 0.00 178.44 179.75 3ixq h PHE 35 N 1.15 0.77 -0.59 1.13 3.57 -0.81 -1.08 116.94 121.08 3ixq h PHE 35 Ca 0.28 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3ixq h PHE 35 Cb 0.08 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3ixq h PHE 35 CO 0.01 0.53 0.35 0.82 -2.23 0.00 0.00 178.31 177.80 3ixq h ILE 36 N 0.79 1.18 -0.42 1.41 2.04 -0.46 0.57 117.51 122.63 3ixq h ILE 36 Ca 0.21 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3ixq h ILE 36 Cb -0.01 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 3ixq h ILE 36 CO -0.04 0.18 0.18 -0.09 0.00 0.00 0.00 178.15 178.38 3ixq h ARG 37 N 0.80 0.35 -0.69 2.37 2.43 -1.06 -0.46 114.38 118.13 3ixq h ARG 37 Ca 0.21 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3ixq h ARG 37 Cb -0.01 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3ixq h ARG 37 CO -0.04 0.23 0.35 0.93 -1.51 0.00 0.00 179.97 179.93 3ixq h GLU 38 N 0.37 0.99 -0.28 0.20 4.39 -0.69 -1.62 114.58 117.92 3ixq h GLU 38 Ca 0.19 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3ixq h GLU 38 Cb 0.14 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3ixq h GLU 38 CO -0.16 0.77 0.13 1.25 -1.16 0.00 0.00 179.01 179.83 3ixq h LEU 39 N 0.96 0.38 -0.74 1.33 5.85 -0.57 0.06 115.31 122.58 3ixq h LEU 39 Ca 0.24 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3ixq h LEU 39 Cb 0.09 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3ixq h LEU 39 CO -0.03 0.42 0.46 1.23 -0.34 0.00 0.00 178.44 180.17 3ixq h GLY 40 N 0.32 1.08 0.93 3.75 0.00 -0.90 0.59 103.07 108.85 3ixq h GLY 40 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3ixq h GLY 40 CO -0.01 0.27 0.13 3.43 0.00 0.00 0.00 176.54 180.36 3ixq h ASN 41 N 0.88 0.55 -0.60 0.19 2.35 -1.10 -2.36 115.58 115.49 3ixq h ASN 41 Ca 0.31 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 3ixq h ASN 41 Cb 0.07 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3ixq h ASN 41 CO -0.13 0.59 0.08 -0.09 -1.65 0.00 0.00 177.43 176.24 3ixq h ARG 42 N 0.47 1.03 -0.53 0.81 2.43 -0.29 0.01 114.38 118.31 3ixq h ARG 42 Ca 0.13 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3ixq h ARG 42 Cb 0.23 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3ixq h ARG 42 CO -0.01 0.95 0.30 0.82 -1.51 0.00 0.00 179.97 180.53 3ixq h ILE 43 N 0.96 1.17 0.23 1.20 2.04 -0.85 -1.10 117.51 121.17 3ixq h ILE 43 Ca 0.19 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3ixq h ILE 43 Cb 0.44 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3ixq h ILE 43 CO 0.01 0.18 -0.11 -0.09 0.00 0.00 0.00 178.15 178.14 3ixq h ARG 44 N 0.71 -0.30 -0.61 2.37 2.43 -1.18 -1.69 114.38 116.11 3ixq h ARG 44 Ca 0.19 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 3ixq h ARG 44 Cb 0.03 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3ixq h ARG 44 CO -0.03 -0.02 0.04 0.93 -1.51 0.00 0.00 179.97 179.38 3ixq h GLU 45 N -0.57 1.03 -0.40 0.20 5.08 -0.94 -3.06 114.58 115.92 3ixq h GLU 45 Ca -0.03 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3ixq h GLU 45 Cb 0.42 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3ixq h GLU 45 CO 0.05 0.99 0.00 0.39 -1.00 0.00 0.00 179.01 179.44 3ixq n GLU 46 N -4.20 2.42 -3.91 2.33 1.02 -0.42 -4.97 120.64 112.91 3ixq n GLU 46 Ca 0.03 -2.22 -0.26 0.00 -0.02 0.00 0.00 57.16 54.69 3ixq n GLU 46 Cb 0.32 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 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 1.33 -3.14 -2.40 3.49 1.02 -0.69 -4.95 120.64 115.31 3ixq n GLU 47 Ca 0.18 0.42 -0.33 0.00 -0.02 0.00 0.00 57.16 57.41 3ixq n GLU 47 Cb 0.56 -4.50 -0.03 0.00 -0.02 0.00 0.00 31.44 27.46 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 -6.90 3.71 -0.75 -4.62 1.43 -0.88 -5.02 118.68 105.66 3ixq s LEU 48 Ca 0.06 1.79 -0.09 0.00 -1.03 0.00 0.00 54.13 54.86 3ixq s LEU 48 Cb -0.02 -4.54 0.20 0.00 0.03 0.00 0.00 46.19 41.85 3ixq s LEU 48 CO 0.88 -0.81 0.64 -0.89 0.23 0.00 0.00 176.35 176.40 3ixq s THR 49 N -2.28 4.77 -0.00 5.49 2.01 -1.26 -4.90 115.64 119.46 3ixq s THR 49 Ca 0.64 -2.75 0.03 0.00 0.31 0.00 0.00 61.69 59.91 3ixq s THR 49 Cb -0.14 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 3ixq s THR 49 CO 0.27 -0.97 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.45 3ixq s VAL 50 N -0.02 0.71 0.18 3.82 1.01 -1.26 -0.40 120.40 124.43 3ixq s VAL 50 Ca 0.18 -0.45 0.11 0.00 0.00 0.00 0.00 61.98 61.82 3ixq s VAL 50 Cb -0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3ixq s VAL 50 CO -0.07 0.15 -0.19 -0.36 0.00 0.00 0.00 175.10 174.63 3ixq s PHE 51 N -0.31 2.42 0.07 5.22 0.08 -0.93 -4.42 117.98 120.11 3ixq s PHE 51 Ca 0.03 -0.31 0.08 0.00 0.12 0.00 0.00 56.93 56.84 3ixq s PHE 51 Cb -0.04 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 3ixq s PHE 51 CO -0.00 0.50 -0.18 0.20 -0.10 0.00 0.00 175.22 175.64 3ixq s GLY 52 N -2.68 1.62 -0.19 4.36 0.00 0.04 -0.61 107.32 109.87 3ixq s GLY 52 Ca 0.22 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.70 3ixq s GLY 52 CO 0.11 -1.16 -0.16 -0.42 0.00 0.00 0.00 173.10 171.47 3ixq s ILE 53 N -1.00 2.33 0.35 0.90 1.01 -0.24 -0.59 121.20 123.95 3ixq s ILE 53 Ca 0.16 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 3ixq s ILE 53 Cb -0.11 -2.01 -0.09 0.00 0.01 0.00 0.00 42.46 40.26 3ixq s ILE 53 CO 0.07 0.49 0.78 -2.16 0.00 0.00 0.00 174.94 174.12 3ixq s PRO 54 N 1.32 4.06 0.00 2.79 0.04 -1.26 -0.78 135.00 141.16 3ixq s PRO 54 Ca 0.05 0.77 0.19 0.00 0.04 0.00 0.00 61.00 62.05 3ixq s PRO 54 Cb -0.14 -2.38 0.41 0.00 0.04 0.00 0.00 34.50 32.44 3ixq s PRO 54 CO -0.11 0.12 1.34 0.25 0.04 0.00 0.00 177.00 178.64 3ixq n THR 55 N -0.42 0.66 -3.63 1.26 -2.24 -0.74 -4.88 114.28 104.30 3ixq n THR 55 Ca 0.04 -0.83 -0.05 0.00 -2.27 0.00 0.00 64.05 60.94 3ixq n THR 55 Cb 0.53 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.22 -0.23 0.30 3.42 1.04 -1.26 -4.02 113.70 111.74 3ixq s SER 56 Ca 0.35 -0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.59 3ixq s SER 56 Cb 0.20 0.39 0.49 0.00 0.10 0.00 0.00 66.02 67.20 3ixq s SER 56 CO 0.27 -0.68 1.95 -0.26 0.98 0.00 0.00 173.24 175.50 3ixq h PHE 57 N 2.00 1.02 -0.05 5.02 0.04 -1.98 -1.40 116.94 121.59 3ixq h PHE 57 Ca -0.23 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.59 3ixq h PHE 57 Cb 1.23 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 3ixq h PHE 57 CO 0.32 0.60 -0.07 1.49 -0.60 0.00 0.00 178.31 180.05 3ixq h GLU 58 N 1.06 -0.10 -0.54 1.51 4.81 -1.98 0.10 114.58 119.45 3ixq h GLU 58 Ca 0.33 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3ixq h GLU 58 Cb 0.01 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3ixq h GLU 58 CO -0.10 -0.07 0.10 0.00 -0.73 0.00 0.00 179.01 178.21 3ixq h ALA 59 N 0.94 1.16 -0.43 2.92 0.00 -1.77 0.27 119.26 122.34 3ixq h ALA 59 Ca 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3ixq h ALA 59 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ixq h ALA 59 CO -0.11 0.56 0.18 -0.22 0.00 0.00 0.00 179.25 179.66 3ixq h LYS 60 N 0.81 0.65 -0.58 0.00 3.64 -0.87 -0.80 116.57 119.42 3ixq h LYS 60 Ca 0.17 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3ixq h LYS 60 Cb 0.35 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3ixq h LYS 60 CO 0.00 0.59 0.13 0.52 -2.27 0.00 0.00 179.45 178.43 3ixq h MET 61 N 0.56 0.93 -0.59 1.90 2.86 -0.45 -1.96 114.93 118.19 3ixq h MET 61 Ca 0.15 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 3ixq h MET 61 Cb 0.18 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3ixq h MET 61 CO -0.01 0.87 0.02 -0.07 1.06 0.00 0.00 176.91 178.78 3ixq h LEU 62 N 0.84 1.00 -0.48 1.22 3.38 -0.89 -1.73 115.31 118.66 3ixq h LEU 62 Ca 0.18 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ixq h LEU 62 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3ixq h LEU 62 CO 0.00 1.05 0.31 0.00 0.09 0.00 0.00 178.44 179.90 3ixq h ALA 63 N 0.99 0.61 -0.44 1.53 0.00 -0.96 -0.93 119.26 120.06 3ixq h ALA 63 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ixq h ALA 63 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ixq h ALA 63 CO 0.03 0.06 0.28 1.98 0.00 0.00 0.00 179.25 181.59 3ixq h MET 64 N 0.65 0.54 -0.69 0.00 1.85 -1.23 1.00 114.93 117.05 3ixq h MET 64 Ca 0.17 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.22 3ixq h MET 64 Cb -0.07 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 31.80 3ixq h MET 64 CO -0.04 0.36 0.37 0.37 -0.40 0.00 0.00 176.91 177.57 3ixq h GLN 65 N 0.56 0.96 -0.65 0.39 4.15 -0.60 -2.46 115.11 117.45 3ixq h GLN 65 Ca 0.17 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3ixq h GLN 65 Cb -0.03 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.47 3ixq h GLN 65 CO -0.05 0.71 0.00 0.66 -1.93 0.00 0.00 178.83 178.21 3ixq n TYR 66 N -4.36 1.44 -3.80 3.99 4.01 -0.42 -4.96 117.16 113.06 3ixq n TYR 66 Ca 0.07 -0.60 -0.28 0.00 -0.16 0.00 0.00 57.90 56.93 3ixq n TYR 66 Cb 0.10 -0.22 0.04 0.00 -0.31 0.00 0.00 39.34 38.95 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 1.16 -6.32 -2.95 -0.72 1.02 0.01 -4.57 120.64 108.27 3ixq n GLU 67 Ca 0.26 0.68 -0.41 0.00 -0.02 0.00 0.00 57.16 57.66 3ixq n GLU 67 Cb 0.87 -5.61 -0.05 0.00 -0.02 0.00 0.00 31.44 26.63 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 -3.32 4.88 0.30 -3.67 1.01 0.13 -4.99 121.20 115.55 3ixq s ILE 68 Ca 0.61 1.46 -0.30 0.00 0.00 0.00 0.00 60.65 62.43 3ixq s ILE 68 Cb -0.29 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 37.99 3ixq s ILE 68 CO 0.80 -0.03 1.57 -2.84 0.00 0.00 0.00 174.94 174.44 3ixq s PRO 69 N 2.66 4.13 -0.09 2.79 0.02 -1.26 -4.49 135.00 138.76 3ixq s PRO 69 Ca 0.33 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.91 3ixq s PRO 69 Cb -0.15 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 3ixq s PRO 69 CO 0.08 -0.61 -0.06 -0.51 -0.33 0.00 0.00 177.00 175.57 3ixq s LEU 70 N -0.69 3.21 0.00 -5.54 1.43 -1.26 -0.78 118.68 115.05 3ixq s LEU 70 Ca 0.62 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 3ixq s LEU 70 Cb -0.47 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3ixq s LEU 70 CO 0.50 0.31 0.12 1.33 0.23 0.00 0.00 176.35 178.83 3ixq n VAL 71 N 2.57 0.00 -4.35 -1.59 0.24 0.25 -4.90 118.33 110.55 3ixq n VAL 71 Ca -0.18 -2.45 -0.30 0.00 -2.04 0.00 0.00 64.34 59.37 3ixq n VAL 71 Cb 0.53 0.79 -0.11 0.00 -1.47 0.00 0.00 33.84 33.58 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 -3.07 2.84 0.55 3.34 -4.23 -1.26 -4.31 115.64 109.49 3ixq s THR 72 Ca 0.16 -1.46 0.22 0.00 -1.18 0.00 0.00 61.69 59.43 3ixq s THR 72 Cb 0.01 -2.29 0.31 0.00 1.34 0.00 0.00 72.50 71.87 3ixq s THR 72 CO 0.12 0.13 2.19 0.25 -0.54 0.00 0.00 174.62 176.77 3ixq h LEU 73 N 3.84 0.00 -1.77 4.79 5.85 -1.97 -0.52 115.31 125.54 3ixq h LEU 73 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3ixq h LEU 73 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3ixq h LEU 73 CO 0.46 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.00 3ixq h ASP 74 N 0.00 0.00 0.02 1.25 3.32 -2.03 -3.22 116.42 115.77 3ixq h ASP 74 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 3ixq h ASP 74 Cb 0.01 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3ixq h ASP 74 CO -0.00 0.00 -2.36 -0.62 -1.72 0.00 0.00 179.24 174.54 3ixq n GLU 75 N -3.00 0.66 -4.15 3.56 1.02 -0.40 -5.05 120.64 113.27 3ixq n GLU 75 Ca -0.00 0.20 -0.16 0.00 -0.02 0.00 0.00 57.16 57.18 3ixq n GLU 75 Cb 0.24 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.52 0.91 0.57 -0.32 2.02 -0.34 -5.05 117.35 112.63 3ixq s TYR 76 Ca -0.33 -0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 55.82 3ixq s TYR 76 Cb 0.09 -0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 41.07 3ixq s TYR 76 CO 0.61 -0.02 0.99 -0.51 -1.57 0.00 0.00 175.55 175.06 3ixq s ASP 77 N -1.44 6.36 -0.22 2.29 1.01 -1.26 -4.26 116.67 119.14 3ixq s ASP 77 Ca -0.05 1.43 -0.10 0.00 0.71 0.00 0.00 52.55 54.54 3ixq s ASP 77 Cb -0.09 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 3ixq s ASP 77 CO 0.01 -0.76 0.14 -0.69 0.21 0.00 0.00 175.17 174.08 3ixq s VAL 78 N -2.97 5.27 -0.04 -1.27 1.01 -1.26 -4.71 120.40 116.44 3ixq s VAL 78 Ca 0.56 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 62.49 3ixq s VAL 78 Cb -0.11 -3.43 -0.13 0.00 0.00 0.00 0.00 36.38 32.71 3ixq s VAL 78 CO 0.46 0.39 0.82 0.44 0.00 0.00 0.00 175.10 177.21 3ixq h ASP 79 N 7.20 -0.33 -3.54 3.32 3.32 -1.24 -0.61 116.42 124.54 3ixq h ASP 79 Ca -0.39 -0.17 -0.42 0.00 0.02 0.00 0.00 57.03 56.07 3ixq h ASP 79 Cb 1.16 0.09 -0.33 0.00 0.22 0.00 0.00 39.33 40.47 3ixq h ASP 79 CO 0.69 0.15 -0.78 -0.63 -1.72 0.00 0.00 179.24 176.95 3ixq s ILE 80 N -3.55 0.63 -0.20 0.35 1.01 -1.21 -1.61 121.20 116.62 3ixq s ILE 80 Ca -0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 3ixq s ILE 80 Cb 0.01 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 3ixq s ILE 80 CO 0.39 0.23 0.06 0.00 0.00 0.00 0.00 174.94 175.62 3ixq s ALA 81 N 0.69 3.31 -0.13 9.38 0.00 0.25 -0.83 121.76 134.42 3ixq s ALA 81 Ca -0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 3ixq s ALA 81 Cb -0.13 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 3ixq s ALA 81 CO 0.01 0.03 -0.03 -0.06 0.00 0.00 0.00 175.76 175.70 3ixq s PHE 82 N 0.66 3.05 0.15 0.00 0.08 -0.24 -0.47 117.98 121.21 3ixq s PHE 82 Ca 0.03 -0.15 -0.15 0.00 0.12 0.00 0.00 56.93 56.78 3ixq s PHE 82 Cb -0.13 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.44 3ixq s PHE 82 CO 0.02 0.11 0.41 0.34 -0.10 0.00 0.00 175.22 176.00 3ixq s ASP 83 N -0.00 -0.20 0.61 1.36 -1.08 -0.76 -0.73 116.67 115.87 3ixq s ASP 83 Ca 0.01 -0.44 -0.01 0.00 -0.52 0.00 0.00 52.55 51.59 3ixq s ASP 83 Cb -0.13 0.49 0.07 0.00 -1.46 0.00 0.00 42.92 41.89 3ixq s ASP 83 CO 0.02 -0.91 0.45 0.61 0.52 0.00 0.00 175.17 175.86 3ixq n GLY 84 N -0.25 0.39 3.46 2.66 0.00 -1.26 -0.34 105.19 109.86 3ixq n GLY 84 Ca -0.13 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.11 -1.53 0.01 4.61 0.00 -1.26 -4.80 121.76 115.69 3ixq s ALA 85 Ca 0.29 1.20 -0.08 0.00 0.00 0.00 0.00 51.96 53.37 3ixq s ALA 85 Cb -0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 23.12 22.63 3ixq s ALA 85 CO 0.19 -0.33 0.91 -0.44 0.00 0.00 0.00 175.76 176.09 3ixq h ASP 86 N 3.58 0.55 -4.14 0.00 3.32 -1.16 -3.47 116.42 115.10 3ixq h ASP 86 Ca -0.28 -0.69 -0.20 0.00 0.02 0.00 0.00 57.03 55.88 3ixq h ASP 86 Cb 1.15 -0.18 -0.26 0.00 0.22 0.00 0.00 39.33 40.27 3ixq h ASP 86 CO 0.34 1.56 -0.68 -1.61 -1.72 0.00 0.00 179.24 177.13 3ixq s GLU 87 N -2.61 0.14 -0.19 3.56 2.02 -0.94 -4.79 118.70 115.88 3ixq s GLU 87 Ca -0.09 -0.16 -0.00 0.00 0.02 0.00 0.00 54.97 54.74 3ixq s GLU 87 Cb 0.06 0.05 0.05 0.00 0.10 0.00 0.00 34.13 34.39 3ixq s GLU 87 CO 0.88 -0.02 -0.06 0.08 0.02 0.00 0.00 175.26 176.16 3ixq s VAL 88 N -0.46 1.31 -0.04 2.63 1.01 -0.34 -1.85 120.40 122.67 3ixq s VAL 88 Ca -0.05 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 3ixq s VAL 88 Cb -0.03 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3ixq s VAL 88 CO -0.00 0.08 1.36 -0.70 0.00 0.00 0.00 175.10 175.83 3ixq s GLU 89 N 1.53 4.28 0.18 2.72 2.12 -0.01 -1.19 118.70 128.34 3ixq s GLU 89 Ca -0.01 1.88 -0.13 0.00 0.36 0.00 0.00 54.97 57.07 3ixq s GLU 89 Cb -0.16 -3.63 0.15 0.00 0.26 0.00 0.00 34.13 30.75 3ixq s GLU 89 CO -0.08 -0.58 1.78 0.93 -0.54 0.00 0.00 175.26 176.77 3ixq h GLU 90 N 7.93 0.48 0.00 4.30 5.08 -1.25 -0.69 114.58 130.43 3ixq h GLU 90 Ca -0.36 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3ixq h GLU 90 Cb 1.16 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3ixq h GLU 90 CO 0.91 0.32 -0.32 1.79 -1.00 0.00 0.00 179.01 180.71 3ixq h THR 91 N 0.49 0.00 0.00 1.13 1.35 -1.87 -3.36 112.91 110.65 3ixq h THR 91 Ca 0.23 -0.99 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 3ixq h THR 91 Cb 0.16 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3ixq h THR 91 CO -0.17 0.00 -1.21 0.35 -0.25 0.00 0.00 175.52 174.23 3ixq n THR 92 N -2.96 0.03 -1.37 6.82 -2.24 -1.19 -5.00 114.28 108.38 3ixq n THR 92 Ca 0.03 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3ixq n THR 92 Cb 0.54 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.71 -0.66 -4.74 3.22 4.77 -0.27 -5.00 117.00 112.60 3ixq n LEU 93 Ca -0.01 0.31 -0.34 0.00 -0.03 0.00 0.00 56.01 55.94 3ixq n LEU 93 Cb 0.17 -2.47 0.06 0.00 -2.33 0.00 0.00 43.42 38.86 3ixq n LEU 93 CO 0.09 -0.93 0.79 -0.36 -1.33 0.00 0.00 177.39 175.65 3ixq s PHE 94 N -2.21 2.30 0.16 -1.77 0.08 -1.26 -4.71 117.98 110.58 3ixq s PHE 94 Ca 0.00 1.57 0.07 0.00 0.12 0.00 0.00 56.93 58.68 3ixq s PHE 94 Cb 0.00 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 3ixq s PHE 94 CO 0.00 -2.22 -0.14 -0.51 -0.10 0.00 0.00 175.22 172.25 3ixq s LEU 95 N -4.82 2.49 -0.13 -0.37 1.43 -0.14 -0.83 118.68 116.32 3ixq s LEU 95 Ca 0.73 -0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3ixq s LEU 95 Cb -0.27 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 3ixq s LEU 95 CO 0.41 -0.18 -0.10 -0.63 0.23 0.00 0.00 176.35 176.08 3ixq s ILE 96 N -2.70 3.32 0.31 -0.59 1.01 -0.77 -1.10 121.20 120.69 3ixq s ILE 96 Ca 0.16 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3ixq s ILE 96 Cb -0.02 -2.41 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 3ixq s ILE 96 CO 0.04 0.52 0.07 -0.54 0.00 0.00 0.00 174.94 175.03 3ixq s LYS 97 N 0.21 1.61 0.00 2.79 1.02 0.11 -0.50 119.74 124.98 3ixq s LYS 97 Ca -0.06 -1.89 0.00 0.00 0.02 0.00 0.00 55.97 54.04 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 0.04 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 3ixq n GLY 98 N -0.65 0.65 0.36 -3.33 0.00 -1.26 -4.31 105.19 96.65 3ixq n GLY 98 Ca -0.02 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.29 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 1.94 -1.33 -0.02 0.00 -1.94 0.41 103.07 102.13 3ixq h GLY 99 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3ixq h GLY 99 CO 0.00 -0.54 0.00 0.61 0.00 0.00 0.00 176.54 176.61 3ixq n GLY 100 N -1.33 0.78 2.07 4.60 0.00 -1.26 -4.95 105.19 105.10 3ixq n GLY 100 Ca 0.34 -0.49 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.22 0.47 0.48 -0.02 0.00 0.13 -4.92 105.19 102.55 3ixq n GLY 101 Ca 0.16 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 0.83 0.00 0.48 0.00 -0.00 -1.89 -2.34 115.15 112.23 3ixq h HIS 103 Ca 0.01 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 3ixq h HIS 103 Cb 1.22 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 3ixq h HIS 103 CO 0.29 0.12 -0.23 1.15 -0.00 0.00 0.00 177.93 179.26 3ixq h THR 104 N 0.00 0.44 -0.38 6.12 2.02 -1.91 0.61 112.91 119.82 3ixq h THR 104 Ca -0.00 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3ixq h THR 104 Cb 0.22 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3ixq h THR 104 CO 0.02 0.06 0.12 1.56 0.37 0.00 0.00 175.52 177.64 3ixq h GLN 105 N -0.90 0.54 -0.33 6.66 1.08 -1.80 -1.43 115.11 118.94 3ixq h GLN 105 Ca -0.07 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3ixq h GLN 105 Cb 0.59 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 3ixq h GLN 105 CO 0.11 0.48 0.21 0.93 -0.95 0.00 0.00 178.83 179.61 3ixq h GLU 106 N 0.54 0.43 -0.47 1.46 5.08 -1.28 -2.05 114.58 118.29 3ixq h GLU 106 Ca 0.13 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 3ixq h GLU 106 Cb 0.17 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3ixq h GLU 106 CO -0.01 0.30 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.92 3ixq h LYS 107 N 0.44 0.92 -0.57 2.33 3.64 -0.49 0.28 116.57 123.11 3ixq h LYS 107 Ca 0.12 -0.35 0.07 0.00 -1.27 0.00 0.00 60.65 59.22 3ixq h LYS 107 Cb -0.04 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 3ixq h LYS 107 CO -0.03 1.01 0.25 0.82 -2.27 0.00 0.00 179.45 179.23 3ixq h ILE 108 N 0.81 0.87 0.03 2.00 2.04 -1.07 -1.35 117.51 120.84 3ixq h ILE 108 Ca 0.12 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3ixq h ILE 108 Cb 0.70 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3ixq h ILE 108 CO 0.05 0.09 -0.02 0.58 0.00 0.00 0.00 178.15 178.85 3ixq h VAL 109 N 0.47 1.39 -0.58 1.67 2.07 -1.16 -3.26 116.25 116.86 3ixq h VAL 109 Ca 0.27 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 3ixq h VAL 109 Cb 0.25 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 3ixq h VAL 109 CO -0.23 0.41 0.12 0.44 0.02 0.00 0.00 177.57 178.33 3ixq h ASP 110 N -0.82 0.90 1.02 0.57 3.32 -0.37 -1.99 116.42 119.05 3ixq h ASP 110 Ca -0.00 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 3ixq h ASP 110 Cb 0.70 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3ixq h ASP 110 CO 0.01 0.91 -0.13 1.88 -1.72 0.00 0.00 179.24 180.19 3ixq h TYR 111 N 0.84 0.00 -0.01 4.55 -1.99 -1.43 -3.07 116.97 115.87 3ixq h TYR 111 Ca 0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.91 3ixq h TYR 111 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.11 3ixq h TYR 111 CO 0.03 0.13 -0.54 0.09 -0.00 0.00 0.00 178.16 177.87 3ixq n ASN 112 N -3.27 1.12 -4.78 3.88 3.02 -0.84 -4.95 115.26 109.44 3ixq n ASN 112 Ca 0.00 -0.90 -0.35 0.00 -0.03 0.00 0.00 54.58 53.31 3ixq n ASN 112 Cb 0.39 0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.99 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 -2.74 2.80 0.33 5.41 0.00 -0.81 -4.63 121.76 122.12 3ixq s ALA 113 Ca 0.16 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.86 3ixq s ALA 113 Cb 0.18 -3.31 0.56 0.00 0.00 0.00 0.00 23.12 20.55 3ixq s ALA 113 CO 0.66 -0.55 1.99 -0.91 0.00 0.00 0.00 175.76 176.95 3ixq h ASN 114 N 1.44 0.80 -3.55 0.00 2.35 -1.06 -3.42 115.58 112.15 3ixq h ASN 114 Ca -0.50 -0.03 -0.32 0.00 -0.55 0.00 0.00 56.30 54.90 3ixq h ASN 114 Cb 1.24 -0.20 -0.33 0.00 0.05 0.00 0.00 38.32 39.08 3ixq h ASN 114 CO 0.58 0.59 -0.74 -0.70 -1.65 0.00 0.00 177.43 175.51 3ixq s GLU 115 N -5.77 0.23 -0.27 0.81 2.12 -0.63 -5.02 118.70 110.16 3ixq s GLU 115 Ca -0.11 0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.25 3ixq s GLU 115 Cb 0.18 -0.39 0.02 0.00 0.26 0.00 0.00 34.13 34.19 3ixq s GLU 115 CO 0.78 -0.11 0.01 0.12 -0.54 0.00 0.00 175.26 175.51 3ixq s PHE 116 N 0.85 3.12 -0.18 5.30 5.36 -1.26 -0.58 117.98 130.57 3ixq s PHE 116 Ca -0.08 -1.32 -0.03 0.00 -0.96 0.00 0.00 56.93 54.54 3ixq s PHE 116 Cb -0.11 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.40 3ixq s PHE 116 CO -0.02 -0.67 -0.06 0.08 -1.46 0.00 0.00 175.22 173.10 3ixq s VAL 117 N 1.40 3.46 -0.06 3.12 1.01 0.38 -1.48 120.40 128.22 3ixq s VAL 117 Ca 0.01 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3ixq s VAL 117 Cb -0.17 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3ixq s VAL 117 CO -0.01 0.46 0.22 -0.69 0.00 0.00 0.00 175.10 175.08 3ixq s VAL 118 N 0.94 5.38 -0.17 2.92 1.01 -0.33 -1.83 120.40 128.32 3ixq s VAL 118 Ca -0.01 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.25 3ixq s VAL 118 Cb -0.15 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.76 3ixq s VAL 118 CO 0.01 0.53 -0.17 -0.76 0.00 0.00 0.00 175.10 174.70 3ixq s LEU 119 N -1.29 2.00 0.04 3.92 1.43 0.54 -0.37 118.68 124.94 3ixq s LEU 119 Ca 0.20 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3ixq s LEU 119 Cb -0.13 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3ixq s LEU 119 CO 0.10 -0.04 -0.01 0.68 0.23 0.00 0.00 176.35 177.31 3ixq s VAL 120 N 1.37 0.16 0.59 -1.59 -7.23 -0.59 -4.22 120.40 108.89 3ixq s VAL 120 Ca 0.04 -1.31 -0.09 0.00 -1.81 0.00 0.00 61.98 58.81 3ixq s VAL 120 Cb -0.13 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 3ixq s VAL 120 CO -0.12 -0.72 0.96 1.51 -0.31 0.00 0.00 175.10 176.43 3ixq s ASP 121 N -2.19 6.15 0.59 4.85 -4.77 -1.26 -0.55 116.67 119.49 3ixq s ASP 121 Ca -0.04 1.24 0.28 0.00 -3.30 0.00 0.00 52.55 50.73 3ixq s ASP 121 Cb -0.01 -2.34 1.58 0.00 -1.09 0.00 0.00 42.92 41.07 3ixq s ASP 121 CO -0.05 -0.84 2.03 1.05 0.70 0.00 0.00 175.17 178.06 3ixq h GLU 122 N -0.20 0.00 0.00 2.11 4.11 -1.32 -1.97 114.58 117.31 3ixq h GLU 122 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3ixq h GLU 122 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3ixq h GLU 122 CO 0.62 0.00 0.00 0.66 0.07 0.00 0.00 179.01 180.36 3ixq h SER 123 N 0.00 0.00 1.13 3.06 4.64 -1.94 -2.66 113.55 117.78 3ixq h SER 123 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3ixq h SER 123 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3ixq h SER 123 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3ixq n LYS 124 N -2.79 0.17 -2.42 4.77 4.76 -0.74 -4.81 118.16 117.10 3ixq n LYS 124 Ca 0.00 0.22 -0.42 0.00 -2.87 0.00 0.00 58.31 55.24 3ixq n LYS 124 Cb 0.21 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 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 -4.06 4.39 0.12 -0.35 1.43 -1.01 -1.20 118.68 118.00 3ixq s LEU 125 Ca 0.10 2.06 0.05 0.00 -1.03 0.00 0.00 54.13 55.31 3ixq s LEU 125 Cb 0.13 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 3ixq s LEU 125 CO 0.51 -0.43 -0.13 0.68 0.23 0.00 0.00 176.35 177.21 3ixq s VAL 126 N 0.77 1.22 0.12 -1.59 -7.23 -0.33 -4.91 120.40 108.45 3ixq s VAL 126 Ca 0.57 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.97 3ixq s VAL 126 Cb -0.30 -1.50 -0.19 0.00 0.56 0.00 0.00 36.38 34.95 3ixq s VAL 126 CO 0.31 -0.47 1.28 0.11 -0.31 0.00 0.00 175.10 176.02 3ixq h LYS 127 N 3.50 0.46 -3.80 4.82 1.57 -1.96 -0.10 116.57 121.05 3ixq h LYS 127 Ca -0.39 -0.50 -0.49 0.00 -1.87 0.00 0.00 60.65 57.40 3ixq h LYS 127 Cb 1.19 0.14 -0.38 0.00 0.08 0.00 0.00 32.23 33.26 3ixq h LYS 127 CO 0.52 1.15 -0.77 0.21 -0.57 0.00 0.00 179.45 179.98 3ixq s LYS 128 N -3.26 0.89 0.25 3.15 2.47 -1.26 -4.57 119.74 117.41 3ixq s LYS 128 Ca -0.06 -0.22 -0.31 0.00 -1.56 0.00 0.00 55.97 53.82 3ixq s LYS 128 Cb 0.08 -1.59 -0.12 0.00 -1.46 0.00 0.00 37.83 34.74 3ixq s LYS 128 CO 0.88 -0.43 1.65 -0.11 0.16 0.00 0.00 175.35 177.50 3ixq n LEU 129 N 5.04 4.15 0.00 5.43 7.94 -1.26 -3.00 117.00 135.30 3ixq n LEU 129 Ca -0.09 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 3ixq n LEU 129 Cb 0.49 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.86 3ixq n LEU 129 CO 0.13 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.17 3ixq n GLY 130 N 3.01 0.74 0.15 -3.96 0.00 -1.26 -4.46 105.19 99.42 3ixq n GLY 130 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 2.04 0.41 -0.07 1.61 4.81 -1.79 -3.35 114.58 118.23 3ixq h GLU 131 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3ixq h GLU 131 Cb 0.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3ixq h GLU 131 CO 0.00 0.67 0.00 1.63 -0.73 0.00 0.00 179.01 180.58 3ixq n LYS 132 N -4.59 0.84 -3.82 1.92 5.02 -1.26 -4.99 118.16 111.28 3ixq n LYS 132 Ca -0.05 -1.25 -0.13 0.00 -2.02 0.00 0.00 58.31 54.86 3ixq n LYS 132 Cb 0.30 -1.19 -0.15 0.00 -0.02 0.00 0.00 35.03 33.97 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 -0.83 -0.02 0.60 2.13 5.36 -1.26 -5.15 117.98 118.82 3ixq s PHE 133 Ca 0.13 0.12 -0.12 0.00 -0.96 0.00 0.00 56.93 56.09 3ixq s PHE 133 Cb 0.08 -0.09 -0.05 0.00 -0.34 0.00 0.00 43.02 42.63 3ixq s PHE 133 CO 0.12 -0.05 1.02 -1.25 -1.46 0.00 0.00 175.22 173.60 3ixq s PRO 134 N 0.49 3.63 -0.30 10.12 0.04 -1.26 -4.36 135.00 143.35 3ixq s PRO 134 Ca -0.04 0.83 -0.24 0.00 0.04 0.00 0.00 61.00 61.59 3ixq s PRO 134 Cb -0.06 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3ixq s PRO 134 CO -0.02 -0.54 0.80 0.42 0.04 0.00 0.00 177.00 177.71 3ixq s ILE 135 N -3.01 4.79 0.32 0.56 1.01 0.71 -4.77 121.20 120.80 3ixq s ILE 135 Ca 0.56 1.25 -0.29 0.00 0.00 0.00 0.00 60.65 62.17 3ixq s ILE 135 Cb -0.11 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 3ixq s ILE 135 CO 0.48 -0.24 1.31 -2.84 0.00 0.00 0.00 174.94 173.65 3ixq s PRO 136 N 2.97 4.36 -0.08 2.79 0.02 -1.26 -1.26 135.00 142.53 3ixq s PRO 136 Ca 0.33 2.20 -0.00 0.00 0.02 0.00 0.00 61.00 63.55 3ixq s PRO 136 Cb -0.14 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.32 3ixq s PRO 136 CO 0.12 -0.19 -0.05 0.08 -0.33 0.00 0.00 177.00 176.63 3ixq s VAL 137 N -1.01 0.71 -0.11 3.83 1.01 0.86 -0.34 120.40 125.35 3ixq s VAL 137 Ca 0.50 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.14 3ixq s VAL 137 Cb -0.40 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3ixq s VAL 137 CO 0.51 0.30 0.64 -0.70 0.00 0.00 0.00 175.10 175.86 3ixq s GLU 138 N 1.58 4.37 -0.03 2.72 2.12 0.00 -0.88 118.70 128.58 3ixq s GLU 138 Ca 0.01 0.74 0.02 0.00 0.36 0.00 0.00 54.97 56.10 3ixq s GLU 138 Cb -0.13 -3.47 0.01 0.00 0.26 0.00 0.00 34.13 30.80 3ixq s GLU 138 CO -0.05 0.01 -0.06 0.14 -0.54 0.00 0.00 175.26 174.76 3ixq s VAL 139 N 1.02 0.61 0.05 3.70 -7.23 -0.32 -0.23 120.40 118.01 3ixq s VAL 139 Ca 0.33 -0.23 -0.33 0.00 -1.81 0.00 0.00 61.98 59.94 3ixq s VAL 139 Cb -0.17 -0.58 -0.12 0.00 0.56 0.00 0.00 36.38 36.07 3ixq s VAL 139 CO 0.15 0.22 1.77 -0.38 -0.31 0.00 0.00 175.10 176.55 3ixq n ILE 140 N 3.57 0.34 -0.13 -0.62 2.08 0.32 -1.41 119.36 123.51 3ixq n ILE 140 Ca -0.21 -0.06 0.15 0.00 0.56 0.00 0.00 62.75 63.19 3ixq n ILE 140 Cb 0.53 -1.84 0.53 0.00 -0.75 0.00 0.00 39.64 38.10 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 8.00 0.36 0.00 0.38 0.11 -1.90 0.61 132.00 139.55 3ixq h PRO 141 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ixq h PRO 141 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ixq h PRO 141 CO 0.93 0.24 0.00 0.66 -0.21 0.00 0.00 178.00 179.61 3ixq h SER 142 N 0.37 0.00 -0.49 -2.05 4.64 -1.98 -2.95 113.55 111.09 3ixq h SER 142 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3ixq h SER 142 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3ixq h SER 142 CO -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 3ixq n ALA 143 N -2.02 2.36 -0.09 5.18 0.00 0.21 -4.71 120.51 121.45 3ixq n ALA 143 Ca -0.01 -1.12 -0.08 0.00 0.00 0.00 0.00 53.44 52.24 3ixq n ALA 143 Cb 0.19 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 3ixq n ALA 143 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3ixq h TYR 144 N 3.80 -0.75 -0.22 0.00 3.20 -1.57 0.20 116.97 121.62 3ixq h TYR 144 Ca 0.00 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 3ixq h TYR 144 Cb 0.91 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 3ixq h TYR 144 CO 0.32 -0.35 -0.02 -0.09 -1.64 0.00 0.00 178.16 176.38 3ixq h ARG 145 N -0.25 0.40 0.00 1.82 2.43 -1.86 -0.55 114.38 116.37 3ixq h ARG 145 Ca 0.16 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3ixq h ARG 145 Cb 0.50 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3ixq h ARG 145 CO -0.47 0.62 -0.30 -0.39 -1.51 0.00 0.00 179.97 177.92 3ixq h VAL 146 N 0.15 0.75 0.02 0.20 -1.51 -1.82 -1.11 116.25 112.93 3ixq h VAL 146 Ca 0.06 -1.27 -0.21 0.00 -1.23 0.00 0.00 66.70 64.05 3ixq h VAL 146 Cb 0.45 1.80 0.02 0.00 -2.13 0.00 0.00 31.29 31.43 3ixq h VAL 146 CO 0.02 0.29 -0.84 0.58 -1.23 0.00 0.00 177.57 176.38 3ixq h VAL 147 N 0.00 1.36 -0.54 7.19 2.07 -0.81 -0.89 116.25 124.62 3ixq h VAL 147 Ca -0.00 -2.20 0.08 0.00 0.82 0.00 0.00 66.70 65.39 3ixq h VAL 147 Cb 0.78 2.55 -0.06 0.00 -1.52 0.00 0.00 31.29 33.04 3ixq h VAL 147 CO 0.04 0.66 0.20 0.40 0.02 0.00 0.00 177.57 178.89 3ixq h ILE 148 N 0.11 0.81 -0.08 4.57 2.04 -0.89 -0.41 117.51 123.66 3ixq h ILE 148 Ca -0.11 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.65 3ixq h ILE 148 Cb 1.53 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 3ixq h ILE 148 CO 0.16 0.07 -0.11 -0.09 0.00 0.00 0.00 178.15 178.19 3ixq h ARG 149 N 0.38 -0.14 -0.74 2.37 2.43 -1.12 -0.60 114.38 116.97 3ixq h ARG 149 Ca 0.27 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3ixq h ARG 149 Cb 0.30 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 3ixq h ARG 149 CO -0.27 -0.09 0.44 0.00 -1.51 0.00 0.00 179.97 178.54 3ixq h ALA 150 N 0.90 0.94 -0.37 2.80 0.00 -0.68 0.99 119.26 123.84 3ixq h ALA 150 Ca 0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3ixq h ALA 150 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ixq h ALA 150 CO -0.16 0.42 -0.18 -0.07 0.00 0.00 0.00 179.25 179.26 3ixq h LEU 151 N 1.01 0.70 -0.36 0.00 3.38 -0.94 -1.67 115.31 117.43 3ixq h LEU 151 Ca 0.26 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3ixq h LEU 151 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3ixq h LEU 151 CO -0.05 0.88 -0.25 0.28 0.09 0.00 0.00 178.44 179.39 3ixq h SER 152 N 0.62 0.85 -0.54 -0.43 0.02 -0.41 -0.70 113.55 112.95 3ixq h SER 152 Ca 0.10 -0.43 0.05 0.00 -0.84 0.00 0.00 61.79 60.66 3ixq h SER 152 Cb 0.65 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 3ixq h SER 152 CO 0.05 1.10 0.36 -0.33 -1.14 0.00 0.00 176.83 176.87 3ixq h GLU 153 N 0.60 0.53 0.00 3.45 5.08 -0.56 -1.52 114.58 122.16 3ixq h GLU 153 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3ixq h GLU 153 Cb 0.81 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3ixq h GLU 153 CO 0.07 0.35 0.00 -1.33 -1.00 0.00 0.00 179.01 177.10 3ixq n MET 154 N -4.47 0.67 -0.08 2.33 2.81 -0.65 -4.86 117.12 112.86 3ixq n MET 154 Ca 0.07 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 3ixq n MET 154 Cb 0.21 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.61 0.95 3.91 3.03 0.00 -0.57 -5.03 105.19 108.10 3ixq n GLY 155 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.99 1.75 -0.42 -0.02 0.00 -0.30 -4.78 107.32 101.56 3ixq s GLY 156 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 44.72 44.05 3ixq s GLY 156 CO 0.00 -0.47 0.26 1.85 0.00 0.00 0.00 173.10 174.75 3ixq s GLU 157 N -3.79 2.57 -0.13 2.90 2.12 -0.42 -4.14 118.70 117.80 3ixq s GLU 157 Ca 0.44 -1.50 -0.01 0.00 0.36 0.00 0.00 54.97 54.26 3ixq s GLU 157 Cb -0.10 -3.79 -0.02 0.00 0.26 0.00 0.00 34.13 30.48 3ixq s GLU 157 CO 0.32 -0.98 -0.09 0.00 -0.54 0.00 0.00 175.26 173.97 3ixq s ALA 158 N 1.41 2.78 -0.01 6.30 0.00 -1.26 -1.41 121.76 129.57 3ixq s ALA 158 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3ixq s ALA 158 Cb -0.23 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.57 3ixq s ALA 158 CO 0.02 0.27 0.01 0.14 0.00 0.00 0.00 175.76 176.20 3ixq s VAL 159 N 0.22 0.01 0.23 0.00 -7.23 -0.01 -4.98 120.40 108.65 3ixq s VAL 159 Ca -0.06 0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 59.89 3ixq s VAL 159 Cb -0.15 -0.08 -0.10 0.00 0.56 0.00 0.00 36.38 36.61 3ixq s VAL 159 CO 0.04 0.05 1.48 -0.63 -0.31 0.00 0.00 175.10 175.74 3ixq s ILE 160 N 0.49 2.60 -0.23 -0.62 1.01 -1.26 -0.99 121.20 122.21 3ixq s ILE 160 Ca -0.04 0.49 -0.27 0.00 0.00 0.00 0.00 60.65 60.83 3ixq s ILE 160 Cb -0.06 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3ixq s ILE 160 CO -0.01 0.07 0.93 -0.60 0.00 0.00 0.00 174.94 175.33 3ixq s ARG 161 N -0.03 4.23 0.18 2.79 3.52 -0.18 -4.89 118.95 124.57 3ixq s ARG 161 Ca 0.62 1.16 -0.02 0.00 -0.13 0.00 0.00 55.73 57.35 3ixq s ARG 161 Cb -0.43 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.28 3ixq s ARG 161 CO 0.41 -0.55 0.39 -0.51 -0.81 0.00 0.00 175.30 174.23 3ixq s LEU 162 N 2.93 4.23 0.48 -0.88 1.43 -1.26 -0.80 118.68 124.81 3ixq s LEU 162 Ca 0.40 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.93 3ixq s LEU 162 Cb -0.15 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3ixq s LEU 162 CO 0.07 -0.01 0.78 -0.83 0.23 0.00 0.00 176.35 176.59 3ixq s GLY 163 N -2.88 1.49 0.00 -3.19 0.00 0.35 -4.55 107.32 98.55 3ixq s GLY 163 Ca 0.40 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.63 3ixq s GLY 163 CO 0.27 -0.36 0.18 2.09 0.00 0.00 0.00 173.10 175.29 3ixq n ASP 164 N -2.25 0.24 -0.65 1.64 5.68 -1.26 -4.57 116.55 115.38 3ixq n ASP 164 Ca 0.00 -0.62 0.06 0.00 -0.50 0.00 0.00 54.79 53.73 3ixq n ASP 164 Cb 0.55 0.95 0.15 0.00 -1.14 0.00 0.00 41.12 41.63 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 -1.03 2.55 -3.85 0.11 5.12 -1.26 -4.95 116.66 113.36 3ixq n ARG 165 Ca 0.01 -1.96 -0.10 0.00 -1.93 0.00 0.00 57.85 53.87 3ixq n ARG 165 Cb 0.06 -1.28 -0.08 0.00 -1.16 0.00 0.00 32.46 30.00 3ixq n ARG 165 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3ixq s LYS 166 N -1.00 0.70 0.30 5.56 -2.85 -1.26 -5.15 119.74 116.03 3ixq s LYS 166 Ca 0.23 -0.65 -0.28 0.00 -1.00 0.00 0.00 55.97 54.27 3ixq s LYS 166 Cb 0.12 0.29 -0.09 0.00 -2.06 0.00 0.00 37.83 36.09 3ixq s LYS 166 CO 0.16 -0.20 0.96 1.03 0.10 0.00 0.00 175.35 177.41 3ixq s ARG 167 N -2.64 4.65 1.18 1.78 1.81 -1.26 -4.09 118.95 120.38 3ixq s ARG 167 Ca -0.04 1.44 0.00 0.00 -1.72 0.00 0.00 55.73 55.40 3ixq s ARG 167 Cb -0.01 -2.98 0.00 0.00 -0.45 0.00 0.00 34.95 31.52 3ixq s ARG 167 CO -0.04 0.33 0.00 0.41 -0.68 0.00 0.00 175.30 175.31 3ixq n GLY 168 N 0.91 -1.89 3.59 -3.53 0.00 -1.26 -4.88 105.19 98.13 3ixq n GLY 168 Ca 0.01 -1.46 -0.49 0.00 0.00 0.00 0.00 46.02 44.08 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 1.31 -1.75 1.61 -0.02 -1.26 -0.49 135.00 134.39 3ixq n PRO 169 Ca 0.00 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 3ixq n PRO 169 Cb 0.00 -2.01 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 3ixq n PRO 169 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ixq n VAL 170 N 1.73 1.28 -4.67 -1.45 0.31 0.02 -4.56 118.33 110.99 3ixq n VAL 170 Ca 0.15 -0.32 -0.33 0.00 -0.01 0.00 0.00 64.34 63.83 3ixq n VAL 170 Cb 0.25 -1.94 -0.12 0.00 -0.91 0.00 0.00 33.84 31.12 3ixq n VAL 170 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3ixq s ILE 171 N -0.30 3.47 0.91 2.52 -1.09 -1.26 -3.82 121.20 121.62 3ixq s ILE 171 Ca 0.61 -0.55 -0.13 0.00 -2.23 0.00 0.00 60.65 58.35 3ixq s ILE 171 Cb -0.50 -2.43 0.14 0.00 -1.58 0.00 0.00 42.46 38.09 3ixq s ILE 171 CO 0.53 0.56 1.18 0.42 -1.23 0.00 0.00 174.94 176.40 3ixq s THR 172 N -0.32 1.97 0.64 2.92 -4.23 0.60 -4.90 115.64 112.32 3ixq s THR 172 Ca 0.04 0.00 0.35 0.00 -1.18 0.00 0.00 61.69 60.90 3ixq s THR 172 Cb -0.13 -2.85 0.38 0.00 1.34 0.00 0.00 72.50 71.24 3ixq s THR 172 CO 0.02 0.00 2.17 0.44 -0.54 0.00 0.00 174.62 176.71 3ixq h ASP 173 N -1.47 0.00 -0.03 3.99 3.32 -1.90 -0.07 116.42 120.26 3ixq h ASP 173 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3ixq h ASP 173 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3ixq h ASP 173 CO 0.57 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.68 3ixq n ASN 174 N -3.30 2.34 0.00 6.45 3.02 -1.26 -4.97 115.26 117.55 3ixq n ASN 174 Ca -0.01 -1.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 3ixq n ASN 174 Cb 0.23 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.62 3.84 7.41 0.00 -0.04 -5.07 105.19 113.23 3ixq n GLY 175 Ca 0.16 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.33 4.94 0.61 1.61 0.01 -1.26 -4.80 114.94 113.71 3ixq s ASN 176 Ca 0.00 -0.78 -0.01 0.00 -0.71 0.00 0.00 52.86 51.36 3ixq s ASN 176 Cb 0.00 -0.60 0.05 0.00 0.41 0.00 0.00 41.25 41.11 3ixq s ASN 176 CO 0.00 -0.59 0.86 -0.04 -1.51 0.00 0.00 177.10 175.82 3ixq s MET 177 N -4.06 2.37 -0.11 -0.60 -1.94 -0.50 -0.29 119.30 114.17 3ixq s MET 177 Ca 0.46 -0.68 0.01 0.00 -1.71 0.00 0.00 55.69 53.78 3ixq s MET 177 Cb -0.02 -2.39 0.02 0.00 2.01 0.00 0.00 34.83 34.44 3ixq s MET 177 CO 0.27 -0.92 -0.14 0.42 -0.01 0.00 0.00 175.02 174.63 3ixq s ILE 178 N -2.92 1.46 -0.19 2.53 1.01 -1.25 -1.17 121.20 120.66 3ixq s ILE 178 Ca 0.59 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 3ixq s ILE 178 Cb -0.10 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 3ixq s ILE 178 CO 0.41 0.43 0.02 -0.63 0.00 0.00 0.00 174.94 175.17 3ixq s ILE 179 N 1.08 4.24 -0.20 2.92 1.01 -0.06 -1.01 121.20 129.17 3ixq s ILE 179 Ca -0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 3ixq s ILE 179 Cb -0.15 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 3ixq s ILE 179 CO -0.03 0.43 0.23 -1.81 0.00 0.00 0.00 174.94 173.77 3ixq s ASP 180 N 0.81 6.29 -0.11 3.58 1.01 -0.16 -0.10 116.67 127.98 3ixq s ASP 180 Ca 0.01 0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.61 3ixq s ASP 180 Cb -0.14 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.67 3ixq s ASP 180 CO 0.02 0.08 -0.09 0.54 0.21 0.00 0.00 175.17 175.93 3ixq s VAL 181 N 0.73 1.12 -0.13 -1.27 0.11 -0.39 -0.83 120.40 119.75 3ixq s VAL 181 Ca 0.12 -0.37 -0.29 0.00 -2.93 0.00 0.00 61.98 58.51 3ixq s VAL 181 Cb -0.13 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 3ixq s VAL 181 CO 0.03 0.38 1.05 -0.36 -3.33 0.00 0.00 175.10 172.87 3ixq s PHE 182 N 1.48 3.39 0.06 1.54 0.08 -0.50 -0.21 117.98 123.82 3ixq s PHE 182 Ca 0.01 1.48 0.02 0.00 0.12 0.00 0.00 56.93 58.57 3ixq s PHE 182 Cb -0.13 -3.26 -0.03 0.00 -0.57 0.00 0.00 43.02 39.03 3ixq s PHE 182 CO -0.06 -0.51 -0.08 -1.64 -0.10 0.00 0.00 175.22 172.82 3ixq s MET 183 N 2.41 0.62 -0.67 0.44 -1.94 -1.26 -1.31 119.30 117.60 3ixq s MET 183 Ca 0.49 -0.89 -0.25 0.00 -1.71 0.00 0.00 55.69 53.32 3ixq s MET 183 Cb -0.18 -0.34 0.04 0.00 2.01 0.00 0.00 34.83 36.36 3ixq s MET 183 CO 0.15 0.05 1.12 1.21 -0.01 0.00 0.00 175.02 177.55 3ixq s ASN 184 N -1.88 6.22 -0.67 3.03 3.84 -1.26 -4.61 114.94 119.60 3ixq s ASN 184 Ca -0.05 -0.56 -0.25 0.00 0.21 0.00 0.00 52.86 52.21 3ixq s ASN 184 Cb -0.07 -2.50 0.05 0.00 -0.55 0.00 0.00 41.25 38.18 3ixq s ASN 184 CO -0.00 -1.59 1.10 -0.63 -2.79 0.00 0.00 177.10 173.18 3ixq s ILE 185 N 4.87 4.08 -0.05 -5.21 1.01 -1.26 -4.88 121.20 119.76 3ixq s ILE 185 Ca 0.31 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 3ixq s ILE 185 Cb -0.12 -4.76 -0.29 0.00 0.01 0.00 0.00 42.46 37.31 3ixq s ILE 185 CO 0.15 -1.57 0.64 0.44 0.00 0.00 0.00 174.94 174.61 3ixq h ASP 186 N 9.71 0.49 -2.91 3.58 3.32 -1.94 -3.45 116.42 125.23 3ixq h ASP 186 Ca -0.28 -0.80 -0.52 0.00 0.02 0.00 0.00 57.03 55.45 3ixq h ASP 186 Cb 1.06 -0.16 -0.40 0.00 0.22 0.00 0.00 39.33 40.05 3ixq h ASP 186 CO 1.21 1.69 -0.77 -0.62 -1.72 0.00 0.00 179.24 179.02 3ixq s ASP 187 N -7.10 3.30 0.12 6.45 -1.08 -1.26 -5.04 116.67 112.06 3ixq s ASP 187 Ca -0.15 -1.15 -0.15 0.00 -0.52 0.00 0.00 52.55 50.57 3ixq s ASP 187 Cb 0.06 -0.39 -0.02 0.00 -1.46 0.00 0.00 42.92 41.11 3ixq s ASP 187 CO 0.83 -0.41 1.59 0.00 0.52 0.00 0.00 175.17 177.70 3ixq h ALA 188 N 8.37 0.51 -0.39 3.66 0.00 -1.99 0.11 119.26 129.54 3ixq h ALA 188 Ca -0.18 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.53 3ixq h ALA 188 Cb 1.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3ixq h ALA 188 CO 0.41 0.24 0.21 0.82 0.00 0.00 0.00 179.25 180.93 3ixq h ILE 189 N 0.48 1.01 -0.38 0.00 2.04 -1.97 -0.80 117.51 117.89 3ixq h ILE 189 Ca 0.11 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.69 3ixq h ILE 189 Cb 0.40 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3ixq h ILE 189 CO 0.01 0.08 -0.31 -0.08 0.00 0.00 0.00 178.15 177.84 3ixq h GLU 190 N 0.43 0.89 -0.70 2.37 4.57 -1.96 -2.92 114.58 117.26 3ixq h GLU 190 Ca 0.16 -0.44 -0.02 0.00 -1.18 0.00 0.00 59.36 57.87 3ixq h GLU 190 Cb 0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3ixq h GLU 190 CO -0.09 1.09 0.36 1.25 -1.18 0.00 0.00 179.01 180.44 3ixq h LEU 191 N 0.70 0.89 -0.45 1.64 5.85 -0.73 -0.48 115.31 122.73 3ixq h LEU 191 Ca 0.07 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.74 3ixq h LEU 191 Cb 0.90 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 3ixq h LEU 191 CO 0.08 0.75 0.12 -0.08 -0.34 0.00 0.00 178.44 178.98 3ixq h GLU 192 N 0.96 0.27 -0.43 1.25 4.81 -1.15 0.18 114.58 120.47 3ixq h GLU 192 Ca 0.24 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3ixq h GLU 192 Cb 0.08 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3ixq h GLU 192 CO -0.03 0.18 0.21 0.87 -0.73 0.00 0.00 179.01 179.50 3ixq h LYS 193 N 0.27 0.62 -0.40 1.92 1.57 -1.25 -2.64 116.57 116.67 3ixq h LYS 193 Ca 0.22 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 3ixq h LYS 193 Cb 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3ixq h LYS 193 CO -0.25 0.54 -0.33 0.93 -0.57 0.00 0.00 179.45 179.77 3ixq h GLU 194 N 0.56 0.90 -0.53 3.15 5.08 -0.66 -2.55 114.58 120.53 3ixq h GLU 194 Ca 0.15 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3ixq h GLU 194 Cb 0.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3ixq h GLU 194 CO -0.02 1.09 0.25 0.82 -1.00 0.00 0.00 179.01 180.15 3ixq h ILE 195 N 0.75 1.20 0.00 3.13 2.04 -0.97 -2.50 117.51 121.15 3ixq h ILE 195 Ca 0.08 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3ixq h ILE 195 Cb 0.90 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3ixq h ILE 195 CO 0.08 0.23 -0.07 0.78 0.00 0.00 0.00 178.15 179.18 3ixq h ASN 196 N 0.71 0.00 -0.17 1.72 2.35 -1.30 -2.60 115.58 116.30 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 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3ixq h ASN 196 CO -0.02 0.07 0.00 -3.20 -1.65 0.00 0.00 177.43 172.62 3ixq n ASN 197 N -3.43 1.84 -4.68 5.81 5.15 -0.95 -4.78 115.26 114.23 3ixq n ASN 197 Ca -0.02 -1.72 -0.43 0.00 -0.60 0.00 0.00 54.58 51.82 3ixq n ASN 197 Cb 0.21 -0.11 -0.02 0.00 -0.53 0.00 0.00 39.78 39.33 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 -1.79 4.28 0.22 -1.44 1.01 -0.98 -4.98 121.20 117.52 3ixq s ILE 198 Ca 0.33 1.59 -0.32 0.00 0.00 0.00 0.00 60.65 62.26 3ixq s ILE 198 Cb 0.18 -4.02 -0.12 0.00 0.01 0.00 0.00 42.46 38.51 3ixq s ILE 198 CO 0.27 -0.05 1.68 -2.65 0.00 0.00 0.00 174.94 174.20 3ixq n PRO 199 N 5.67 2.70 0.00 2.79 -0.02 -1.26 -1.06 135.00 143.82 3ixq n PRO 199 Ca 0.12 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 3ixq n PRO 199 Cb 0.46 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 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 3.52 2.66 3.67 -1.23 0.00 -1.26 -4.73 105.19 107.82 3ixq n GLY 200 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.69 4.89 -0.16 1.61 1.01 -0.22 -0.52 120.40 124.32 3ixq s VAL 201 Ca 0.00 1.64 -0.22 0.00 0.00 0.00 0.00 61.98 63.40 3ixq s VAL 201 Cb 0.00 -4.14 -0.19 0.00 0.00 0.00 0.00 36.38 32.05 3ixq s VAL 201 CO 0.00 0.05 0.40 0.58 0.00 0.00 0.00 175.10 176.13 3ixq h VAL 202 N 5.15 1.13 -2.16 2.92 2.07 -0.92 -3.46 116.25 120.98 3ixq h VAL 202 Ca -0.30 -2.04 0.05 0.00 0.82 0.00 0.00 66.70 65.23 3ixq h VAL 202 Cb 1.14 2.33 -0.17 0.00 -1.52 0.00 0.00 31.29 33.06 3ixq h VAL 202 CO 0.83 0.38 0.41 -0.70 0.02 0.00 0.00 177.57 178.51 3ixq s GLU 203 N -2.21 0.88 0.23 1.57 2.56 -1.23 -5.00 118.70 115.50 3ixq s GLU 203 Ca -0.21 -0.11 0.06 0.00 0.00 0.00 0.00 54.97 54.71 3ixq s GLU 203 Cb 0.01 0.41 -0.05 0.00 2.00 0.00 0.00 34.13 36.50 3ixq s GLU 203 CO 0.54 -0.34 -0.07 0.54 -0.56 0.00 0.00 175.26 175.38 3ixq s ASN 204 N -1.93 2.33 0.00 -1.70 2.20 -1.26 -0.82 114.94 113.76 3ixq s ASN 204 Ca -0.00 -1.13 0.29 0.00 -0.94 0.00 0.00 52.86 51.07 3ixq s ASN 204 Cb -0.01 -0.09 1.58 0.00 -2.00 0.00 0.00 41.25 40.73 3ixq s ASN 204 CO -0.03 -0.35 2.03 0.61 -2.94 0.00 0.00 177.10 176.42 3ixq n GLY 205 N -0.44 -1.10 3.69 0.45 0.00 0.54 -4.79 105.19 103.53 3ixq n GLY 205 Ca -0.07 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.34 3.59 -0.13 -0.61 1.01 -1.26 -0.71 121.20 120.75 3ixq s ILE 206 Ca 0.34 1.03 0.03 0.00 0.00 0.00 0.00 60.65 62.05 3ixq s ILE 206 Cb 0.20 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 39.01 3ixq s ILE 206 CO 0.40 0.02 -0.22 -0.36 0.00 0.00 0.00 174.94 174.77 3ixq s PHE 207 N 2.13 2.63 0.00 3.97 2.99 -0.26 -4.97 117.98 124.47 3ixq s PHE 207 Ca 0.65 -1.28 0.00 0.00 0.00 0.00 0.00 56.93 56.30 3ixq s PHE 207 Cb -0.33 -1.78 0.00 0.00 0.00 0.00 0.00 43.02 40.91 3ixq s PHE 207 CO 0.28 -0.57 0.79 0.25 -0.00 0.00 0.00 175.22 175.96 3ixq n THR 208 N 3.97 0.60 -4.02 0.64 -2.24 -1.26 -0.97 114.28 110.99 3ixq n THR 208 Ca -0.20 -0.78 -0.33 0.00 -2.27 0.00 0.00 64.05 60.47 3ixq n THR 208 Cb 0.52 0.72 -0.15 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.60 2.46 0.03 -0.78 1.02 -1.26 -4.94 119.74 115.67 3ixq s LYS 209 Ca 0.00 -1.22 0.02 0.00 0.02 0.00 0.00 55.97 54.79 3ixq s LYS 209 Cb 0.00 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 3ixq s LYS 209 CO 0.00 -0.52 -0.07 0.54 -0.92 0.00 0.00 175.35 174.39 3ixq s VAL 210 N 1.19 0.48 -0.21 3.17 0.11 -1.26 -4.92 120.40 118.95 3ixq s VAL 210 Ca -0.05 -0.87 -0.20 0.00 -2.93 0.00 0.00 61.98 57.93 3ixq s VAL 210 Cb -0.19 -0.52 -0.19 0.00 -1.53 0.00 0.00 36.38 33.95 3ixq s VAL 210 CO -0.05 -0.27 0.14 0.47 -3.33 0.00 0.00 175.10 172.06 3ixq n ASP 211 N 1.82 1.89 -3.72 3.54 8.00 -0.55 -4.98 116.55 122.55 3ixq n ASP 211 Ca -0.21 0.40 -0.11 0.00 0.71 0.00 0.00 54.79 55.58 3ixq n ASP 211 Cb 0.55 -0.94 -0.06 0.00 -0.02 0.00 0.00 41.12 40.65 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 0.91 -0.14 -1.24 -2.85 -1.13 -4.49 119.74 108.41 3ixq s LYS 212 Ca -0.30 -0.61 0.01 0.00 -1.00 0.00 0.00 55.97 54.07 3ixq s LYS 212 Cb 0.07 0.39 0.02 0.00 -2.06 0.00 0.00 37.83 36.25 3ixq s LYS 212 CO 0.59 -0.31 -0.17 0.08 0.10 0.00 0.00 175.35 175.63 3ixq s VAL 213 N -3.10 1.73 -0.22 1.79 1.01 0.05 -1.18 120.40 120.48 3ixq s VAL 213 Ca -0.01 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 3ixq s VAL 213 Cb 0.01 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3ixq s VAL 213 CO -0.07 0.49 0.31 -0.76 0.00 0.00 0.00 175.10 175.07 3ixq s LEU 214 N 1.14 4.13 -0.18 3.92 1.02 0.50 0.12 118.68 129.33 3ixq s LEU 214 Ca -0.01 0.35 -0.02 0.00 0.02 0.00 0.00 54.13 54.47 3ixq s LEU 214 Cb -0.14 -2.36 -0.01 0.00 0.02 0.00 0.00 46.19 43.71 3ixq s LEU 214 CO -0.06 -0.04 -0.10 -0.69 0.02 0.00 0.00 176.35 175.48 3ixq s VAL 215 N 1.29 3.03 -0.24 -1.59 1.01 0.98 -1.54 120.40 123.35 3ixq s VAL 215 Ca 0.14 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 3ixq s VAL 215 Cb -0.14 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.91 3ixq s VAL 215 CO 0.07 0.48 0.99 -0.83 0.00 0.00 0.00 175.10 175.80 3ixq s GLY 216 N 1.06 1.70 0.27 4.51 0.00 0.29 -1.03 107.32 114.12 3ixq s GLY 216 Ca -0.00 0.07 0.09 0.00 0.00 0.00 0.00 44.72 44.88 3ixq s GLY 216 CO -0.02 2.10 -0.13 -0.51 0.00 0.00 0.00 173.10 174.54 3ixq s THR 217 N 3.15 2.01 0.43 0.90 -4.23 0.11 -0.83 115.64 117.18 3ixq s THR 217 Ca 0.42 -2.24 0.23 0.00 -1.18 0.00 0.00 61.69 58.92 3ixq s THR 217 Cb -0.15 -2.35 0.43 0.00 1.34 0.00 0.00 72.50 71.78 3ixq s THR 217 CO 0.07 -0.38 1.75 0.11 -0.54 0.00 0.00 174.62 175.63 3ixq h LYS 218 N 2.29 0.27 0.01 3.99 1.57 -1.99 -1.91 116.57 120.80 3ixq h LYS 218 Ca -0.40 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.16 3ixq h LYS 218 Cb 1.24 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 3ixq h LYS 218 CO 0.65 0.18 -0.98 0.87 -0.57 0.00 0.00 179.45 179.59 3ixq h LYS 219 N 0.27 0.03 0.00 3.15 1.79 -1.99 -3.50 116.57 116.32 3ixq h LYS 219 Ca 0.63 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 3ixq h LYS 219 Cb 1.83 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.50 3ixq h LYS 219 CO -0.28 0.98 0.00 0.41 -1.08 0.00 0.00 179.45 179.49 3ixq n GLY 220 N 1.26 -0.57 3.18 3.86 0.00 -0.72 -5.10 105.19 107.10 3ixq n GLY 220 Ca -0.01 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.00 2.11 -0.05 1.61 1.01 -1.26 0.07 120.40 119.89 3ixq s VAL 221 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3ixq s VAL 221 Cb 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3ixq s VAL 221 CO 0.00 0.55 -0.15 -1.59 0.00 0.00 0.00 175.10 173.91 3ixq s LYS 222 N 0.76 2.47 -0.24 2.72 -2.85 -0.20 -4.92 119.74 117.48 3ixq s LYS 222 Ca -0.08 -0.72 -0.16 0.00 -1.00 0.00 0.00 55.97 54.01 3ixq s LYS 222 Cb -0.16 -2.35 -0.04 0.00 -2.06 0.00 0.00 37.83 33.23 3ixq s LYS 222 CO -0.01 0.62 0.42 0.99 0.10 0.00 0.00 175.35 177.47 3ixq s THR 223 N -0.73 5.16 -0.21 3.79 2.01 -1.26 -0.01 115.64 124.39 3ixq s THR 223 Ca 0.11 0.71 -0.08 0.00 0.31 0.00 0.00 61.69 62.74 3ixq s THR 223 Cb -0.11 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 3ixq s THR 223 CO 0.00 0.18 0.07 -0.76 -0.69 0.00 0.00 174.62 173.43 3ixq s LEU 224 N 1.78 3.69 -0.09 4.42 1.43 0.12 -4.95 118.68 125.08 3ixq s LEU 224 Ca 0.18 -0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 3ixq s LEU 224 Cb -0.15 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.16 3ixq s LEU 224 CO 0.09 0.09 0.53 -1.59 0.23 0.00 0.00 176.35 175.69 3ixq s LYS 225 N 0.89 0.81 0.00 1.70 -2.85 -1.26 -0.77 119.74 118.27 3ixq s LYS 225 Ca 0.04 0.27 0.00 0.00 -1.00 0.00 0.00 55.97 55.28 3ixq s LYS 225 Cb -0.14 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 3ixq s LYS 225 CO 0.03 -0.21 0.00 1.63 0.10 0.00 0.00 175.35 176.90