#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 -6.10 -0.03 4.04 4.13 -1.26 -4.90 115.26 111.15 3ixq n ASN 3 Ca 0.00 -0.40 0.03 0.00 1.68 0.00 0.00 54.58 55.89 3ixq n ASN 3 Cb 0.00 -4.81 0.37 0.00 -1.54 0.00 0.00 39.78 33.80 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 -1.99 0.59 -0.51 3.52 3.07 -2.03 -1.89 114.58 115.34 3ixq h GLU 4 Ca -0.53 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.17 3ixq h GLU 4 Cb 1.35 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 3ixq h GLU 4 CO 0.54 0.44 -0.10 -0.44 -1.40 0.00 0.00 179.01 178.05 3ixq h ASP 5 N 0.60 0.94 -0.41 1.42 3.32 -1.99 -0.63 116.42 119.66 3ixq h ASP 5 Ca 0.16 -0.30 -0.15 0.00 0.02 0.00 0.00 57.03 56.76 3ixq h ASP 5 Cb 0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3ixq h ASP 5 CO -0.03 1.05 -0.32 -0.07 -1.72 0.00 0.00 179.24 178.15 3ixq h LEU 6 N 0.84 0.99 -0.41 1.55 3.38 -1.80 -1.75 115.31 118.12 3ixq h LEU 6 Ca 0.14 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.68 3ixq h LEU 6 Cb 0.64 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3ixq h LEU 6 CO 0.04 1.22 0.25 0.11 0.09 0.00 0.00 178.44 180.15 3ixq h LYS 7 N 0.77 0.48 -0.68 1.13 1.57 -1.20 -1.81 116.57 116.84 3ixq h LYS 7 Ca 0.08 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3ixq h LYS 7 Cb 0.91 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 3ixq h LYS 7 CO 0.08 0.32 0.23 1.25 -0.57 0.00 0.00 179.45 180.76 3ixq h LEU 8 N 0.50 0.95 -0.11 2.94 5.85 -1.06 -1.63 115.31 122.75 3ixq h LEU 8 Ca 0.16 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ixq h LEU 8 Cb -0.01 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3ixq h LEU 8 CO -0.07 0.87 0.06 0.50 -0.34 0.00 0.00 178.44 179.47 3ixq h LYS 9 N 0.99 0.16 -0.43 1.25 3.64 -0.92 -0.89 116.57 120.36 3ixq h LYS 9 Ca 0.22 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 3ixq h LYS 9 Cb 0.25 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3ixq h LYS 9 CO -0.01 0.17 -0.06 0.28 -2.27 0.00 0.00 179.45 177.56 3ixq h VAL 10 N 0.10 1.25 -0.46 2.00 2.07 -1.23 -2.29 116.25 117.68 3ixq h VAL 10 Ca 0.04 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3ixq h VAL 10 Cb 0.06 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3ixq h VAL 10 CO -0.01 0.37 0.26 0.00 0.02 0.00 0.00 177.57 178.21 3ixq h ALA 11 N 1.25 0.59 -0.45 1.67 0.00 -0.85 0.19 119.26 121.67 3ixq h ALA 11 Ca 0.13 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3ixq h ALA 11 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ixq h ALA 11 CO 0.03 0.10 -0.10 0.87 0.00 0.00 0.00 179.25 180.15 3ixq h LYS 12 N 0.61 0.81 -0.29 0.00 1.57 -1.03 -2.31 116.57 115.92 3ixq h LYS 12 Ca 0.16 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 3ixq h LYS 12 Cb 0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3ixq h LYS 12 CO -0.03 0.87 -0.20 1.49 -0.57 0.00 0.00 179.45 181.02 3ixq h GLU 13 N 0.73 0.65 -0.88 3.15 4.57 -1.21 -3.29 114.58 118.30 3ixq h GLU 13 Ca 0.12 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 58.03 3ixq h GLU 13 Cb 0.59 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.12 3ixq h GLU 13 CO 0.04 0.90 0.57 0.00 -1.18 0.00 0.00 179.01 179.34 3ixq h ALA 14 N 0.73 1.17 0.00 2.92 0.00 -0.38 -2.53 119.26 121.17 3ixq h ALA 14 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ixq h ALA 14 Cb 0.74 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ixq h ALA 14 CO 0.05 0.40 -0.03 -0.24 0.00 0.00 0.00 179.25 179.43 3ixq h VAL 15 N 1.09 0.16 0.00 0.00 3.04 -1.48 -0.54 116.25 118.52 3ixq h VAL 15 Ca 0.36 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 65.72 3ixq h VAL 15 Cb 0.04 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 30.57 3ixq h VAL 15 CO -0.13 0.03 -0.09 0.11 -1.01 0.00 0.00 177.57 176.49 3ixq h LYS 16 N 0.00 0.00 0.00 4.17 1.57 -1.55 -2.55 116.57 118.21 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3ixq h LYS 16 CO 0.00 0.09 0.00 -0.07 -0.57 0.00 0.00 179.45 178.90 3ixq h LEU 17 N 0.00 0.00 -9.66 2.94 3.38 -1.23 -3.44 115.31 107.29 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 0.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ixq h LEU 17 CO 0.01 0.00 0.57 -0.69 0.09 0.00 0.00 178.44 178.42 3ixq s VAL 18 N -3.53 3.53 0.11 1.22 1.01 -0.96 -5.04 120.40 116.74 3ixq s VAL 18 Ca 0.02 1.28 0.10 0.00 0.00 0.00 0.00 61.98 63.39 3ixq s VAL 18 Cb 0.09 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3ixq s VAL 18 CO 0.50 0.20 -0.26 -0.54 0.00 0.00 0.00 175.10 175.01 3ixq s LYS 19 N -0.22 1.42 0.24 2.72 1.02 -1.26 -5.10 119.74 118.57 3ixq s LYS 19 Ca 0.53 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 3ixq s LYS 19 Cb -0.33 -1.81 -0.15 0.00 -0.52 0.00 0.00 37.83 35.02 3ixq s LYS 19 CO 0.37 0.44 1.05 -3.47 -0.92 0.00 0.00 175.35 172.81 3ixq n ASP 20 N 1.13 1.20 0.00 2.83 2.03 -1.26 -2.19 116.55 120.29 3ixq n ASP 20 Ca -0.18 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.29 3ixq n ASP 20 Cb 0.53 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 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 1.58 0.97 3.85 0.27 0.00 0.23 -4.97 105.19 107.11 3ixq n GLY 21 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.29 4.01 -0.24 1.61 -1.94 -0.93 -4.92 119.30 116.59 3ixq s MET 22 Ca 0.00 0.77 -0.09 0.00 -1.71 0.00 0.00 55.69 54.67 3ixq s MET 22 Cb 0.00 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 3ixq s MET 22 CO 0.00 0.03 0.11 0.08 -0.01 0.00 0.00 175.02 175.22 3ixq s VAL 23 N -2.18 4.73 -0.13 -6.03 1.01 -1.26 -2.34 120.40 114.21 3ixq s VAL 23 Ca 0.56 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 3ixq s VAL 23 Cb -0.10 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 3ixq s VAL 23 CO 0.20 0.34 -0.12 -0.63 0.00 0.00 0.00 175.10 174.89 3ixq s ILE 24 N 1.38 3.14 -0.03 2.22 -1.09 -0.06 -0.33 121.20 126.44 3ixq s ILE 24 Ca 0.06 -0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 57.55 3ixq s ILE 24 Cb -0.15 -2.32 -0.03 0.00 -1.58 0.00 0.00 42.46 38.38 3ixq s ILE 24 CO 0.05 0.52 1.09 -0.83 -1.23 0.00 0.00 174.94 174.54 3ixq s GLY 25 N 0.33 2.47 -0.39 6.18 0.00 -0.13 -1.09 107.32 114.69 3ixq s GLY 25 Ca -0.10 0.58 -0.14 0.00 0.00 0.00 0.00 44.72 45.06 3ixq s GLY 25 CO 0.05 1.95 0.27 1.08 0.00 0.00 0.00 173.10 176.45 3ixq s LEU 26 N 1.57 4.92 0.00 0.66 1.43 0.71 -1.71 118.68 126.26 3ixq s LEU 26 Ca 0.53 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 3ixq s LEU 26 Cb -0.23 -2.13 0.20 0.00 0.03 0.00 0.00 46.19 44.06 3ixq s LEU 26 CO 0.24 -0.40 0.88 0.61 0.23 0.00 0.00 176.35 177.91 3ixq n GLY 27 N 5.12 -2.10 3.21 -3.19 0.00 -0.29 -1.75 105.19 106.19 3ixq n GLY 27 Ca -0.11 -1.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.75 1.41 0.00 2.61 2.01 -1.26 -4.68 115.64 112.98 3ixq s THR 28 Ca 0.53 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 61.31 3ixq s THR 28 Cb -0.03 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.20 3ixq s THR 28 CO 0.39 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 3ixq n GLY 29 N 1.61 1.80 0.28 4.40 0.00 -1.26 -4.26 105.19 107.76 3ixq n GLY 29 Ca -0.19 -2.16 -0.02 0.00 0.00 0.00 0.00 46.02 43.66 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 0.61 -0.04 1.61 4.64 -1.99 -0.83 113.55 117.55 3ixq h SER 30 Ca 0.00 -0.12 -0.15 0.00 -0.47 0.00 0.00 61.79 61.05 3ixq h SER 30 Cb 0.00 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3ixq h SER 30 CO 0.00 0.66 -0.58 0.74 -0.87 0.00 0.00 176.83 176.78 3ixq h THR 31 N 0.62 1.40 -0.96 2.95 2.02 -1.91 -2.80 112.91 114.23 3ixq h THR 31 Ca 0.13 -1.99 0.04 0.00 0.77 0.00 0.00 66.41 65.37 3ixq h THR 31 Cb 0.34 2.44 -0.06 0.00 -1.74 0.00 0.00 68.15 69.13 3ixq h THR 31 CO 0.01 0.59 0.63 0.00 0.37 0.00 0.00 175.52 177.11 3ixq h ALA 32 N 0.38 1.40 -0.79 6.16 0.00 -1.78 -2.28 119.26 122.35 3ixq h ALA 32 Ca -0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3ixq h ALA 32 Cb 1.26 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3ixq h ALA 32 CO 0.12 0.50 0.37 0.00 0.00 0.00 0.00 179.25 180.23 3ixq h ALA 33 N 1.45 1.17 -0.32 0.00 0.00 -1.07 0.28 119.26 120.77 3ixq h ALA 33 Ca 0.39 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3ixq h ALA 33 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3ixq h ALA 33 CO -0.13 0.63 -0.17 -0.07 0.00 0.00 0.00 179.25 179.51 3ixq h LEU 34 N 1.12 0.58 -0.44 0.00 3.38 -1.20 -2.12 115.31 116.63 3ixq h LEU 34 Ca 0.27 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3ixq h LEU 34 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ixq h LEU 34 CO -0.03 0.77 -0.12 0.15 0.09 0.00 0.00 178.44 179.30 3ixq h PHE 35 N 0.53 0.97 -0.84 1.13 3.57 -0.70 -1.84 116.94 119.76 3ixq h PHE 35 Ca 0.09 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 3ixq h PHE 35 Cb 0.60 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3ixq h PHE 35 CO 0.02 0.97 0.47 0.82 -2.23 0.00 0.00 178.31 178.36 3ixq h ILE 36 N 0.69 1.24 -0.45 1.41 2.04 -0.25 0.30 117.51 122.49 3ixq h ILE 36 Ca 0.11 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3ixq h ILE 36 Cb 0.66 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3ixq h ILE 36 CO 0.05 0.27 0.26 -0.09 0.00 0.00 0.00 178.15 178.64 3ixq h ARG 37 N 1.17 0.62 -0.74 2.37 2.43 -1.22 -0.38 114.38 118.63 3ixq h ARG 37 Ca 0.30 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3ixq h ARG 37 Cb 0.02 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3ixq h ARG 37 CO -0.05 0.48 0.42 0.93 -1.51 0.00 0.00 179.97 180.24 3ixq h GLU 38 N 0.60 1.02 -0.47 0.20 4.39 -0.84 -1.05 114.58 118.43 3ixq h GLU 38 Ca 0.16 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 3ixq h GLU 38 Cb 0.03 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 3ixq h GLU 38 CO -0.03 0.74 0.16 1.25 -1.16 0.00 0.00 179.01 179.98 3ixq h LEU 39 N 1.02 0.66 -0.56 1.33 5.85 -0.75 -0.40 115.31 122.47 3ixq h LEU 39 Ca 0.26 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3ixq h LEU 39 Cb 0.01 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3ixq h LEU 39 CO -0.05 0.68 0.36 1.23 -0.34 0.00 0.00 178.44 180.32 3ixq h GLY 40 N 0.61 0.79 0.96 3.75 0.00 -0.75 0.01 103.07 108.45 3ixq h GLY 40 Ca 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3ixq h GLY 40 CO -0.01 0.26 0.14 3.43 0.00 0.00 0.00 176.54 180.37 3ixq h ASN 41 N 0.72 0.30 0.31 0.19 2.35 -0.95 -2.76 115.58 115.75 3ixq h ASN 41 Ca 0.21 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3ixq h ASN 41 Cb -0.05 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3ixq h ASN 41 CO -0.06 0.28 -0.45 -0.09 -1.65 0.00 0.00 177.43 175.45 3ixq h ARG 42 N 0.30 0.18 -0.29 0.81 2.43 -0.68 -0.70 114.38 116.42 3ixq h ARG 42 Ca 0.09 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3ixq h ARG 42 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3ixq h ARG 42 CO -0.02 0.60 0.10 0.82 -1.51 0.00 0.00 179.97 179.96 3ixq h ILE 43 N 0.15 1.19 0.14 1.20 2.04 -0.96 -2.42 117.51 118.84 3ixq h ILE 43 Ca 0.01 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3ixq h ILE 43 Cb 0.86 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3ixq h ILE 43 CO 0.07 0.21 -0.07 -0.09 0.00 0.00 0.00 178.15 178.27 3ixq h ARG 44 N 0.31 -0.18 0.00 2.37 2.43 -1.18 -1.36 114.38 116.77 3ixq h ARG 44 Ca 0.09 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3ixq h ARG 44 Cb 0.22 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3ixq h ARG 44 CO -0.00 0.23 -0.12 1.49 -1.51 0.00 0.00 179.97 180.05 3ixq h GLU 45 N -0.64 0.00 -0.15 0.20 4.57 -1.20 -3.02 114.58 114.34 3ixq h GLU 45 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3ixq h GLU 45 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3ixq h GLU 45 CO 0.03 0.12 0.00 0.39 -1.18 0.00 0.00 179.01 178.37 3ixq n GLU 46 N -3.31 2.69 -4.00 1.92 1.02 -0.91 -5.01 120.64 113.03 3ixq n GLU 46 Ca -0.00 -1.68 -0.31 0.00 -0.02 0.00 0.00 57.16 55.15 3ixq n GLU 46 Cb 0.34 -1.12 -0.02 0.00 -0.02 0.00 0.00 31.44 30.62 3ixq n GLU 46 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ixq n GLU 47 N -0.00 -1.94 -2.87 3.49 2.13 -0.61 -4.94 120.64 115.90 3ixq n GLU 47 Ca 0.05 0.30 -0.33 0.00 0.66 0.00 0.00 57.16 57.83 3ixq n GLU 47 Cb 0.32 -3.94 -0.07 0.00 0.27 0.00 0.00 31.44 28.02 3ixq n GLU 47 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3ixq s LEU 48 N -7.04 4.01 -0.70 4.31 1.43 -0.66 -5.02 118.68 115.02 3ixq s LEU 48 Ca 0.16 1.63 -0.16 0.00 -1.03 0.00 0.00 54.13 54.73 3ixq s LEU 48 Cb -0.07 -4.38 0.16 0.00 0.03 0.00 0.00 46.19 41.92 3ixq s LEU 48 CO 0.92 -0.29 0.71 -0.89 0.23 0.00 0.00 176.35 177.03 3ixq s THR 49 N -2.07 5.21 -0.02 5.49 2.01 -1.26 -4.92 115.64 120.08 3ixq s THR 49 Ca 0.59 -1.73 -0.00 0.00 0.31 0.00 0.00 61.69 60.85 3ixq s THR 49 Cb -0.10 -4.47 0.03 0.00 0.01 0.00 0.00 72.50 67.97 3ixq s THR 49 CO 0.15 -1.06 0.04 -0.69 -0.69 0.00 0.00 174.62 172.37 3ixq s VAL 50 N 1.47 -0.06 0.05 3.82 1.01 -1.26 0.76 120.40 126.18 3ixq s VAL 50 Ca 0.14 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.36 3ixq s VAL 50 Cb -0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 3ixq s VAL 50 CO -0.02 0.09 -0.00 -0.36 0.00 0.00 0.00 175.10 174.81 3ixq s PHE 51 N 1.06 3.02 -0.01 5.22 0.08 -0.99 -4.28 117.98 122.08 3ixq s PHE 51 Ca -0.09 0.02 0.00 0.00 0.12 0.00 0.00 56.93 56.98 3ixq s PHE 51 Cb -0.13 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 3ixq s PHE 51 CO -0.03 0.47 0.03 0.20 -0.10 0.00 0.00 175.22 175.79 3ixq s GLY 52 N -1.98 1.93 -0.22 4.36 0.00 0.59 -0.88 107.32 111.12 3ixq s GLY 52 Ca 0.23 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 3ixq s GLY 52 CO 0.15 -0.76 -0.06 -0.42 0.00 0.00 0.00 173.10 172.01 3ixq s ILE 53 N -1.10 3.14 0.47 0.90 1.01 -0.25 -0.53 121.20 124.83 3ixq s ILE 53 Ca 0.20 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 3ixq s ILE 53 Cb -0.12 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.82 3ixq s ILE 53 CO 0.11 0.38 0.90 -2.16 0.00 0.00 0.00 174.94 174.16 3ixq s PRO 54 N 1.43 3.88 0.00 2.79 0.04 -1.26 -0.21 135.00 141.66 3ixq s PRO 54 Ca 0.04 0.75 0.17 0.00 0.04 0.00 0.00 61.00 62.01 3ixq s PRO 54 Cb -0.15 -2.24 0.32 0.00 0.04 0.00 0.00 34.50 32.48 3ixq s PRO 54 CO -0.05 -0.18 1.24 0.25 0.04 0.00 0.00 177.00 178.30 3ixq n THR 55 N -1.48 0.55 -3.64 1.26 -2.24 -0.72 -4.86 114.28 103.15 3ixq n THR 55 Ca 0.05 -0.77 -0.05 0.00 -2.27 0.00 0.00 64.05 61.00 3ixq n THR 55 Cb 0.54 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.20 -0.25 0.30 3.42 1.04 -1.26 -3.90 113.70 111.85 3ixq s SER 56 Ca 0.29 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3ixq s SER 56 Cb 0.17 0.42 0.52 0.00 0.10 0.00 0.00 66.02 67.23 3ixq s SER 56 CO 0.23 -0.74 1.92 -0.26 0.98 0.00 0.00 173.24 175.37 3ixq h PHE 57 N 2.00 1.05 0.18 5.02 0.04 -1.98 -0.69 116.94 122.55 3ixq h PHE 57 Ca -0.23 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.57 3ixq h PHE 57 Cb 1.23 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 3ixq h PHE 57 CO 0.32 0.56 -0.16 1.49 -0.60 0.00 0.00 178.31 179.92 3ixq h GLU 58 N 1.04 -0.35 -0.92 1.51 4.81 -1.99 0.15 114.58 118.83 3ixq h GLU 58 Ca 0.38 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 3ixq h GLU 58 Cb 0.18 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 3ixq h GLU 58 CO -0.14 -0.23 0.55 0.00 -0.73 0.00 0.00 179.01 178.46 3ixq h ALA 59 N 0.42 1.24 -0.37 2.92 0.00 -1.76 -0.53 119.26 121.17 3ixq h ALA 59 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ixq h ALA 59 Cb 0.34 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ixq h ALA 59 CO -0.03 0.65 0.24 -0.22 0.00 0.00 0.00 179.25 179.89 3ixq h LYS 60 N 1.27 0.50 -0.39 0.00 3.64 -0.79 -0.59 116.57 120.21 3ixq h LYS 60 Ca 0.33 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.54 3ixq h LYS 60 Cb -0.05 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3ixq h LYS 60 CO -0.06 0.34 -0.29 0.52 -2.27 0.00 0.00 179.45 177.69 3ixq h MET 61 N 0.50 0.84 -0.38 1.90 2.86 -0.46 -2.06 114.93 118.13 3ixq h MET 61 Ca 0.14 -0.38 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 3ixq h MET 61 Cb -0.04 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3ixq h MET 61 CO -0.03 1.02 0.11 -0.07 1.06 0.00 0.00 176.91 179.00 3ixq h LEU 62 N 0.71 0.56 -0.45 1.22 3.38 -1.04 -1.75 115.31 117.94 3ixq h LEU 62 Ca 0.08 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.91 3ixq h LEU 62 Cb 0.84 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3ixq h LEU 62 CO 0.07 0.63 0.12 0.00 0.09 0.00 0.00 178.44 179.34 3ixq h ALA 63 N 0.96 0.52 -0.60 1.53 0.00 -0.95 -0.91 119.26 119.81 3ixq h ALA 63 Ca 0.12 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3ixq h ALA 63 Cb 0.27 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3ixq h ALA 63 CO -0.00 -0.28 0.34 0.52 0.00 0.00 0.00 179.25 179.82 3ixq h MET 64 N 0.26 0.64 -0.38 0.00 2.86 -1.19 0.12 114.93 117.23 3ixq h MET 64 Ca 0.22 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 3ixq h MET 64 Cb 0.26 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3ixq h MET 64 CO -0.27 0.42 0.05 1.96 1.06 0.00 0.00 176.91 180.13 3ixq h GLN 65 N 0.66 0.58 -0.69 1.72 4.20 -0.47 -2.47 115.11 118.65 3ixq h GLN 65 Ca 0.25 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3ixq h GLN 65 Cb 0.10 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3ixq h GLN 65 CO -0.14 0.57 0.00 0.66 -0.67 0.00 0.00 178.83 179.25 3ixq n TYR 66 N -4.30 1.07 -3.73 2.96 4.01 -0.43 -4.97 117.16 111.77 3ixq n TYR 66 Ca 0.02 -0.49 -0.26 0.00 -0.16 0.00 0.00 57.90 57.01 3ixq n TYR 66 Cb 0.22 -0.06 0.05 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.42 -6.40 -3.21 -0.72 1.02 0.26 -4.60 120.64 108.41 3ixq n GLU 67 Ca 0.24 0.71 -0.40 0.00 -0.02 0.00 0.00 57.16 57.69 3ixq n GLU 67 Cb 0.66 -5.62 -0.07 0.00 -0.02 0.00 0.00 31.44 26.39 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 -3.37 5.07 0.28 -3.67 1.01 -0.34 -4.99 121.20 115.20 3ixq s ILE 68 Ca 0.48 0.99 -0.30 0.00 0.00 0.00 0.00 60.65 61.82 3ixq s ILE 68 Cb -0.23 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.27 3ixq s ILE 68 CO 0.78 0.13 1.55 -2.84 0.00 0.00 0.00 174.94 174.56 3ixq s PRO 69 N 1.94 4.16 -0.11 2.79 0.02 -1.26 -4.52 135.00 138.02 3ixq s PRO 69 Ca 0.24 2.50 -0.03 0.00 0.02 0.00 0.00 61.00 63.73 3ixq s PRO 69 Cb -0.16 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 3ixq s PRO 69 CO 0.09 -0.57 0.02 -0.51 -0.33 0.00 0.00 177.00 175.70 3ixq s LEU 70 N -0.50 3.67 0.00 -5.54 1.43 -1.26 -0.30 118.68 116.18 3ixq s LEU 70 Ca 0.62 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.89 3ixq s LEU 70 Cb -0.46 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 3ixq s LEU 70 CO 0.47 0.33 0.11 1.33 0.23 0.00 0.00 176.35 178.82 3ixq n VAL 71 N 2.46 0.00 -4.43 -1.59 0.24 0.31 -4.90 118.33 110.41 3ixq n VAL 71 Ca -0.18 -2.24 -0.25 0.00 -2.04 0.00 0.00 64.34 59.63 3ixq n VAL 71 Cb 0.53 0.73 -0.11 0.00 -1.47 0.00 0.00 33.84 33.53 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 -2.94 2.32 0.44 3.34 -4.23 -1.26 -4.34 115.64 108.97 3ixq s THR 72 Ca 0.16 -2.19 0.33 0.00 -1.18 0.00 0.00 61.69 58.80 3ixq s THR 72 Cb 0.01 -2.17 0.35 0.00 1.34 0.00 0.00 72.50 72.03 3ixq s THR 72 CO 0.11 -0.29 2.15 0.25 -0.54 0.00 0.00 174.62 176.30 3ixq h LEU 73 N 2.77 0.00 -1.10 4.79 5.85 -1.96 -0.89 115.31 124.77 3ixq h LEU 73 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3ixq h LEU 73 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3ixq h LEU 73 CO 0.54 0.06 0.00 0.44 -0.34 0.00 0.00 178.44 179.14 3ixq h ASP 74 N 0.00 0.00 0.00 1.25 3.32 -2.03 -3.30 116.42 115.67 3ixq h ASP 74 Ca -0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 3ixq h ASP 74 Cb 0.25 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 3ixq h ASP 74 CO 0.01 0.00 -2.39 -0.62 -1.72 0.00 0.00 179.24 174.51 3ixq n GLU 75 N -2.90 0.67 -4.09 3.56 1.02 -0.43 -5.05 120.64 113.41 3ixq n GLU 75 Ca 0.01 0.11 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 3ixq n GLU 75 Cb 0.32 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.49 0.73 0.57 -0.32 2.02 -0.64 -5.03 117.35 112.18 3ixq s TYR 76 Ca -0.28 -0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 55.85 3ixq s TYR 76 Cb 0.08 -0.43 -0.05 0.00 -0.40 0.00 0.00 41.96 41.15 3ixq s TYR 76 CO 0.62 -0.06 0.98 -0.51 -1.57 0.00 0.00 175.55 175.02 3ixq s ASP 77 N -1.44 6.37 -0.15 2.29 1.01 -1.26 -4.27 116.67 119.22 3ixq s ASP 77 Ca -0.08 1.41 -0.06 0.00 0.71 0.00 0.00 52.55 54.54 3ixq s ASP 77 Cb -0.09 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 3ixq s ASP 77 CO 0.01 -0.74 0.04 -0.69 0.21 0.00 0.00 175.17 174.00 3ixq s VAL 78 N -2.93 4.61 -0.08 -1.27 1.01 -1.26 -4.70 120.40 115.78 3ixq s VAL 78 Ca 0.55 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 3ixq s VAL 78 Cb -0.11 -3.03 -0.16 0.00 0.00 0.00 0.00 36.38 33.08 3ixq s VAL 78 CO 0.45 0.51 0.72 0.44 0.00 0.00 0.00 175.10 177.23 3ixq h ASP 79 N 6.20 -0.10 -3.47 3.32 3.32 -1.04 -0.90 116.42 123.74 3ixq h ASP 79 Ca -0.41 -0.47 -0.36 0.00 0.02 0.00 0.00 57.03 55.81 3ixq h ASP 79 Cb 1.18 0.03 -0.34 0.00 0.22 0.00 0.00 39.33 40.41 3ixq h ASP 79 CO 0.65 0.56 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.34 3ixq s ILE 80 N -2.85 0.24 -0.22 0.35 1.01 -1.21 -1.90 121.20 116.62 3ixq s ILE 80 Ca -0.12 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 3ixq s ILE 80 Cb -0.00 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 3ixq s ILE 80 CO 0.46 0.16 0.08 0.00 0.00 0.00 0.00 174.94 175.65 3ixq s ALA 81 N 1.07 3.34 -0.11 9.38 0.00 -0.27 -0.96 121.76 134.21 3ixq s ALA 81 Ca -0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 3ixq s ALA 81 Cb -0.14 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 3ixq s ALA 81 CO -0.02 -0.17 -0.03 -0.06 0.00 0.00 0.00 175.76 175.49 3ixq s PHE 82 N 1.03 3.06 0.15 0.00 0.08 -0.70 -1.00 117.98 120.59 3ixq s PHE 82 Ca 0.05 -0.01 -0.20 0.00 0.12 0.00 0.00 56.93 56.88 3ixq s PHE 82 Cb -0.14 -1.83 0.06 0.00 -0.57 0.00 0.00 43.02 40.54 3ixq s PHE 82 CO 0.03 0.26 0.52 0.34 -0.10 0.00 0.00 175.22 176.28 3ixq s ASP 83 N -0.42 -0.44 0.57 1.36 -1.08 -0.91 -1.14 116.67 114.61 3ixq s ASP 83 Ca 0.07 -0.12 -0.00 0.00 -0.52 0.00 0.00 52.55 51.98 3ixq s ASP 83 Cb -0.12 0.55 0.07 0.00 -1.46 0.00 0.00 42.92 41.96 3ixq s ASP 83 CO 0.02 -0.93 0.51 0.61 0.52 0.00 0.00 175.17 175.90 3ixq n GLY 84 N -0.32 0.67 3.39 2.66 0.00 -1.26 -0.18 105.19 110.16 3ixq n GLY 84 Ca -0.17 -1.99 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.99 -1.32 -0.01 4.61 0.00 -1.26 -4.82 121.76 115.97 3ixq s ALA 85 Ca 0.34 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 3ixq s ALA 85 Cb -0.02 0.12 -0.27 0.00 0.00 0.00 0.00 23.12 22.95 3ixq s ALA 85 CO 0.22 -0.37 0.79 -0.44 0.00 0.00 0.00 175.76 175.97 3ixq h ASP 86 N 3.24 0.35 -4.68 0.00 3.32 -1.30 -3.47 116.42 113.87 3ixq h ASP 86 Ca -0.29 -0.52 -0.17 0.00 0.02 0.00 0.00 57.03 56.06 3ixq h ASP 86 Cb 1.17 -0.11 -0.22 0.00 0.22 0.00 0.00 39.33 40.38 3ixq h ASP 86 CO 0.40 1.44 -0.63 -1.61 -1.72 0.00 0.00 179.24 177.12 3ixq s GLU 87 N -2.61 0.30 -0.13 3.56 2.02 -0.98 -4.80 118.70 116.06 3ixq s GLU 87 Ca -0.10 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.50 3ixq s GLU 87 Cb 0.07 0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.45 3ixq s GLU 87 CO 0.84 -0.06 -0.05 0.08 0.02 0.00 0.00 175.26 176.09 3ixq s VAL 88 N -1.08 0.93 -0.04 2.63 1.01 -0.13 -2.11 120.40 121.61 3ixq s VAL 88 Ca -0.12 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3ixq s VAL 88 Cb -0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3ixq s VAL 88 CO -0.00 0.24 1.12 -0.70 0.00 0.00 0.00 175.10 175.76 3ixq s GLU 89 N 1.73 4.41 0.21 2.72 2.12 0.51 -0.73 118.70 129.67 3ixq s GLU 89 Ca 0.03 1.58 -0.10 0.00 0.36 0.00 0.00 54.97 56.85 3ixq s GLU 89 Cb -0.14 -3.51 0.20 0.00 0.26 0.00 0.00 34.13 30.95 3ixq s GLU 89 CO -0.08 -0.33 1.83 0.93 -0.54 0.00 0.00 175.26 177.07 3ixq h GLU 90 N 7.18 0.73 0.00 4.30 5.08 -1.32 0.15 114.58 130.69 3ixq h GLU 90 Ca -0.35 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 3ixq h GLU 90 Cb 1.17 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3ixq h GLU 90 CO 0.85 0.49 -1.06 0.25 -1.00 0.00 0.00 179.01 178.53 3ixq n THR 91 N -4.73 0.69 -0.02 1.13 -2.24 -1.26 -4.29 114.28 103.55 3ixq n THR 91 Ca 0.08 -0.57 0.01 0.00 -2.27 0.00 0.00 64.05 61.30 3ixq n THR 91 Cb 0.13 -0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 67.89 3ixq n THR 91 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ixq n THR 92 N -2.70 0.29 -1.69 4.28 -2.24 -1.17 -5.00 114.28 106.05 3ixq n THR 92 Ca -0.01 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.26 3ixq n THR 92 Cb 0.59 -0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.08 -1.49 -4.77 3.22 4.77 0.50 -4.95 117.00 112.20 3ixq n LEU 93 Ca -0.08 0.41 -0.36 0.00 -0.03 0.00 0.00 56.01 55.95 3ixq n LEU 93 Cb 0.51 -2.72 -0.01 0.00 -2.33 0.00 0.00 43.42 38.88 3ixq n LEU 93 CO 0.21 -0.90 0.80 -0.36 -1.33 0.00 0.00 177.39 175.82 3ixq s PHE 94 N -2.76 2.82 0.21 -1.77 0.08 -1.26 -4.73 117.98 110.57 3ixq s PHE 94 Ca 0.00 1.54 0.11 0.00 0.12 0.00 0.00 56.93 58.71 3ixq s PHE 94 Cb 0.00 -3.33 -0.05 0.00 -0.57 0.00 0.00 43.02 39.08 3ixq s PHE 94 CO 0.00 -1.48 -0.23 -0.51 -0.10 0.00 0.00 175.22 172.90 3ixq s LEU 95 N -3.31 2.47 -0.15 -0.37 1.43 -0.21 -0.36 118.68 118.18 3ixq s LEU 95 Ca 0.67 -0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3ixq s LEU 95 Cb -0.26 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 3ixq s LEU 95 CO 0.31 0.11 -0.05 -0.63 0.23 0.00 0.00 176.35 176.32 3ixq s ILE 96 N -1.82 3.76 0.25 -0.59 1.01 -0.90 -1.29 121.20 121.63 3ixq s ILE 96 Ca 0.22 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.50 3ixq s ILE 96 Cb -0.07 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 3ixq s ILE 96 CO 0.11 0.50 0.02 -0.54 0.00 0.00 0.00 174.94 175.03 3ixq s LYS 97 N 0.35 1.41 0.00 2.79 1.02 0.48 -0.73 119.74 125.06 3ixq s LYS 97 Ca -0.05 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.20 3ixq s LYS 97 Cb -0.14 -0.64 0.00 0.00 -0.52 0.00 0.00 37.83 36.53 3ixq s LYS 97 CO 0.03 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 3ixq n GLY 98 N -0.48 1.01 0.40 -3.33 0.00 -1.26 -4.24 105.19 97.28 3ixq n GLY 98 Ca -0.04 0.00 0.19 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 0.89 -0.62 -0.02 0.00 -1.94 0.49 103.07 101.87 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 -0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3ixq n GLY 100 N -1.51 0.07 2.18 4.60 0.00 -1.26 -4.95 105.19 104.32 3ixq n GLY 100 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 1.03 0.54 0.16 -0.02 0.00 0.16 -4.91 105.19 102.16 3ixq n GLY 101 Ca 0.14 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 0.22 0.00 0.29 0.00 -0.00 -1.89 -2.26 115.15 111.51 3ixq h HIS 103 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 3ixq h HIS 103 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 3ixq h HIS 103 CO 0.06 0.02 -0.14 1.15 -0.00 0.00 0.00 177.93 179.02 3ixq h THR 104 N 0.00 0.63 -0.19 6.12 2.02 -1.91 0.58 112.91 120.17 3ixq h THR 104 Ca -0.00 -0.78 -0.09 0.00 0.77 0.00 0.00 66.41 66.31 3ixq h THR 104 Cb 0.05 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3ixq h THR 104 CO 0.00 0.13 -0.27 1.56 0.37 0.00 0.00 175.52 177.31 3ixq h GLN 105 N -0.87 0.35 -0.32 6.66 1.08 -1.78 -2.19 115.11 118.05 3ixq h GLN 105 Ca -0.04 -0.13 0.03 0.00 -1.45 0.00 0.00 58.65 57.06 3ixq h GLN 105 Cb 0.52 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 3ixq h GLN 105 CO 0.07 0.60 0.13 0.93 -0.95 0.00 0.00 178.83 179.61 3ixq h GLU 106 N 0.31 0.28 -0.70 1.46 5.08 -1.37 -2.52 114.58 117.12 3ixq h GLU 106 Ca 0.05 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3ixq h GLU 106 Cb 0.65 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3ixq h GLU 106 CO 0.05 0.18 0.19 -0.22 -1.00 0.00 0.00 179.01 178.21 3ixq h LYS 107 N 0.29 1.11 -0.57 2.33 3.64 -0.49 0.22 116.57 123.09 3ixq h LYS 107 Ca 0.14 -0.26 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3ixq h LYS 107 Cb 0.08 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3ixq h LYS 107 CO -0.12 0.97 0.32 0.82 -2.27 0.00 0.00 179.45 179.17 3ixq h ILE 108 N 1.04 1.00 0.01 2.00 2.04 -1.24 -0.44 117.51 121.93 3ixq h ILE 108 Ca 0.22 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3ixq h ILE 108 Cb 0.35 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3ixq h ILE 108 CO -0.00 0.11 -0.01 0.58 0.00 0.00 0.00 178.15 178.84 3ixq h VAL 109 N 0.62 1.52 -0.64 1.67 2.07 -1.25 -3.25 116.25 117.00 3ixq h VAL 109 Ca 0.24 -1.72 -0.06 0.00 0.82 0.00 0.00 66.70 65.99 3ixq h VAL 109 Cb 0.10 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 3ixq h VAL 109 CO -0.14 0.44 0.18 0.44 0.02 0.00 0.00 177.57 178.51 3ixq h ASP 110 N -0.77 0.95 1.49 0.57 3.32 -0.39 -1.51 116.42 120.08 3ixq h ASP 110 Ca -0.00 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3ixq h ASP 110 Cb 0.73 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3ixq h ASP 110 CO 0.00 0.92 0.00 1.88 -1.72 0.00 0.00 179.24 180.33 3ixq h TYR 111 N 0.94 0.00 0.00 4.55 -1.99 -1.25 -3.23 116.97 115.99 3ixq h TYR 111 Ca 0.20 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.93 3ixq h TYR 111 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 3ixq h TYR 111 CO 0.02 0.00 -1.33 0.09 -0.00 0.00 0.00 178.16 176.95 3ixq n ASN 112 N -3.00 0.51 -4.76 3.88 3.02 -0.89 -4.95 115.26 109.08 3ixq n ASN 112 Ca 0.03 -0.25 -0.36 0.00 -0.03 0.00 0.00 54.58 53.96 3ixq n ASN 112 Cb 0.41 1.19 0.03 0.00 -0.61 0.00 0.00 39.78 40.80 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 -3.28 2.66 0.24 5.41 0.00 -0.62 -4.68 121.76 121.49 3ixq s ALA 113 Ca 0.00 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.92 3ixq s ALA 113 Cb 0.14 -3.45 0.26 0.00 0.00 0.00 0.00 23.12 20.07 3ixq s ALA 113 CO 0.85 -1.08 1.90 -0.97 0.00 0.00 0.00 175.76 176.46 3ixq h ASN 114 N 1.16 1.03 -3.67 0.00 -0.00 -1.19 -3.41 115.58 109.50 3ixq h ASN 114 Ca -0.50 -0.02 -0.50 0.00 -0.00 0.00 0.00 56.30 55.28 3ixq h ASN 114 Cb 1.29 -0.25 -0.32 0.00 -0.00 0.00 0.00 38.32 39.04 3ixq h ASN 114 CO 0.56 0.73 -0.81 -1.61 -0.00 0.00 0.00 177.43 176.30 3ixq s GLU 115 N -6.11 1.47 -0.30 6.67 2.02 -0.80 -5.03 118.70 116.62 3ixq s GLU 115 Ca -0.13 -0.42 -0.03 0.00 0.02 0.00 0.00 54.97 54.41 3ixq s GLU 115 Cb 0.18 -1.27 0.04 0.00 0.10 0.00 0.00 34.13 33.17 3ixq s GLU 115 CO 0.81 0.11 0.01 0.12 0.02 0.00 0.00 175.26 176.32 3ixq s PHE 116 N 0.37 3.22 -0.19 1.61 5.36 -1.26 -1.12 117.98 125.96 3ixq s PHE 116 Ca -0.08 -1.67 -0.05 0.00 -0.96 0.00 0.00 56.93 54.17 3ixq s PHE 116 Cb -0.12 -2.14 -0.03 0.00 -0.34 0.00 0.00 43.02 40.39 3ixq s PHE 116 CO 0.02 -0.76 0.00 0.08 -1.46 0.00 0.00 175.22 173.10 3ixq s VAL 117 N 1.31 4.04 -0.12 3.12 1.01 -0.17 -1.52 120.40 128.07 3ixq s VAL 117 Ca -0.03 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 3ixq s VAL 117 Cb -0.19 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 3ixq s VAL 117 CO -0.01 0.44 0.23 -0.69 0.00 0.00 0.00 175.10 175.07 3ixq s VAL 118 N 0.80 5.35 -0.26 2.92 1.01 -0.32 -2.14 120.40 127.77 3ixq s VAL 118 Ca 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 3ixq s VAL 118 Cb -0.14 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.74 3ixq s VAL 118 CO 0.02 0.52 -0.05 -0.76 0.00 0.00 0.00 175.10 174.83 3ixq s LEU 119 N -0.38 3.33 0.06 3.92 1.43 0.75 -0.46 118.68 127.34 3ixq s LEU 119 Ca 0.16 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 3ixq s LEU 119 Cb -0.13 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3ixq s LEU 119 CO 0.04 -0.15 -0.06 0.68 0.23 0.00 0.00 176.35 177.09 3ixq s VAL 120 N 1.31 0.51 0.63 -1.59 -7.23 -0.53 -4.24 120.40 109.27 3ixq s VAL 120 Ca -0.01 -1.46 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 3ixq s VAL 120 Cb -0.17 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 3ixq s VAL 120 CO -0.04 -0.65 1.04 1.51 -0.31 0.00 0.00 175.10 176.65 3ixq s ASP 121 N -2.26 6.10 0.63 4.85 -4.77 -1.26 -0.43 116.67 119.53 3ixq s ASP 121 Ca -0.01 1.44 0.38 0.00 -3.30 0.00 0.00 52.55 51.06 3ixq s ASP 121 Cb -0.02 -2.46 2.15 0.00 -1.09 0.00 0.00 42.92 41.50 3ixq s ASP 121 CO -0.03 -0.96 2.31 1.05 0.70 0.00 0.00 175.17 178.24 3ixq h GLU 122 N -0.38 0.00 0.00 2.11 4.11 -1.36 -2.25 114.58 116.81 3ixq h GLU 122 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3ixq h GLU 122 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ixq h GLU 122 CO 0.61 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.56 3ixq n SER 123 N -3.42 0.53 0.09 3.06 3.41 -1.26 -2.48 113.62 113.55 3ixq n SER 123 Ca -0.03 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 3ixq n SER 123 Cb 0.09 -0.76 0.40 0.00 -0.26 0.00 0.00 64.21 63.68 3ixq n SER 123 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ixq n LYS 124 N -2.12 0.25 -2.37 4.33 4.76 -0.85 -4.84 118.16 117.31 3ixq n LYS 124 Ca 0.01 0.19 -0.41 0.00 -2.87 0.00 0.00 58.31 55.23 3ixq n LYS 124 Cb 0.16 -1.78 -0.03 0.00 -1.84 0.00 0.00 35.03 31.55 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 -4.40 4.42 0.09 -0.35 1.43 -1.04 -0.95 118.68 117.89 3ixq s LEU 125 Ca 0.11 2.18 0.04 0.00 -1.03 0.00 0.00 54.13 55.43 3ixq s LEU 125 Cb 0.13 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 3ixq s LEU 125 CO 0.60 -0.41 -0.11 0.68 0.23 0.00 0.00 176.35 177.34 3ixq s VAL 126 N 0.31 0.98 0.12 -1.59 -7.23 0.09 -4.90 120.40 108.18 3ixq s VAL 126 Ca 0.55 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 59.14 3ixq s VAL 126 Cb -0.32 -1.30 -0.22 0.00 0.56 0.00 0.00 36.38 35.11 3ixq s VAL 126 CO 0.34 -0.49 1.26 0.11 -0.31 0.00 0.00 175.10 176.02 3ixq h LYS 127 N 3.71 0.23 -3.43 4.82 1.57 -1.96 -0.43 116.57 121.07 3ixq h LYS 127 Ca -0.38 -0.31 -0.46 0.00 -1.87 0.00 0.00 60.65 57.63 3ixq h LYS 127 Cb 1.19 0.11 -0.40 0.00 0.08 0.00 0.00 32.23 33.21 3ixq h LYS 127 CO 0.50 1.09 -0.76 0.21 -0.57 0.00 0.00 179.45 179.92 3ixq s LYS 128 N -2.93 0.38 0.25 3.15 2.47 -1.26 -4.61 119.74 117.20 3ixq s LYS 128 Ca -0.03 -0.06 -0.31 0.00 -1.56 0.00 0.00 55.97 54.01 3ixq s LYS 128 Cb 0.09 -1.47 -0.12 0.00 -1.46 0.00 0.00 37.83 34.87 3ixq s LYS 128 CO 0.85 -0.50 1.66 -0.11 0.16 0.00 0.00 175.35 177.41 3ixq n LEU 129 N 5.17 4.13 0.00 5.43 7.94 -1.26 -3.05 117.00 135.36 3ixq n LEU 129 Ca -0.07 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 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 0.10 0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 3ixq n GLY 130 N 3.07 0.78 0.19 -3.96 0.00 -1.26 -4.41 105.19 99.60 3ixq n GLY 130 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 2.17 0.59 -0.07 1.61 4.81 -1.79 -3.36 114.58 118.54 3ixq h GLU 131 Ca 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3ixq h GLU 131 Cb 0.02 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3ixq h GLU 131 CO 0.00 0.65 0.00 1.63 -0.73 0.00 0.00 179.01 180.56 3ixq n LYS 132 N -4.58 2.88 -3.76 1.92 5.02 -1.26 -5.00 118.16 113.38 3ixq n LYS 132 Ca -0.01 -1.69 -0.13 0.00 -2.02 0.00 0.00 58.31 54.46 3ixq n LYS 132 Cb 0.21 -1.10 -0.14 0.00 -0.02 0.00 0.00 35.03 33.99 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 -1.13 -0.22 0.54 2.13 5.36 -1.26 -5.16 117.98 118.24 3ixq s PHE 133 Ca 0.07 0.57 -0.16 0.00 -0.96 0.00 0.00 56.93 56.45 3ixq s PHE 133 Cb 0.05 -0.01 -0.07 0.00 -0.34 0.00 0.00 43.02 42.65 3ixq s PHE 133 CO 0.03 -0.17 1.01 -1.25 -1.46 0.00 0.00 175.22 173.38 3ixq s PRO 134 N 0.95 3.75 -0.23 10.12 0.04 -1.26 -4.38 135.00 143.98 3ixq s PRO 134 Ca -0.07 1.04 -0.27 0.00 0.04 0.00 0.00 61.00 61.73 3ixq s PRO 134 Cb -0.09 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3ixq s PRO 134 CO -0.05 -0.44 0.96 0.42 0.04 0.00 0.00 177.00 177.93 3ixq s ILE 135 N -2.56 4.74 0.31 0.56 1.01 0.13 -4.74 121.20 120.64 3ixq s ILE 135 Ca 0.60 1.86 -0.29 0.00 0.00 0.00 0.00 60.65 62.83 3ixq s ILE 135 Cb -0.12 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.02 3ixq s ILE 135 CO 0.33 -0.14 1.14 -2.84 0.00 0.00 0.00 174.94 173.43 3ixq s PRO 136 N 3.07 4.51 -0.08 2.79 0.02 -1.26 -0.84 135.00 143.21 3ixq s PRO 136 Ca 0.41 1.86 -0.02 0.00 0.02 0.00 0.00 61.00 63.27 3ixq s PRO 136 Cb -0.15 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.32 3ixq s PRO 136 CO 0.06 0.07 0.01 0.08 -0.33 0.00 0.00 177.00 176.90 3ixq s VAL 137 N -1.21 0.37 -0.05 3.83 1.01 0.23 -0.27 120.40 124.30 3ixq s VAL 137 Ca 0.47 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.31 3ixq s VAL 137 Cb -0.33 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3ixq s VAL 137 CO 0.42 0.22 0.65 -0.70 0.00 0.00 0.00 175.10 175.69 3ixq s GLU 138 N 1.97 4.40 -0.03 2.72 2.12 -0.31 -0.64 118.70 128.93 3ixq s GLU 138 Ca 0.05 0.80 0.02 0.00 0.36 0.00 0.00 54.97 56.20 3ixq s GLU 138 Cb -0.13 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.86 3ixq s GLU 138 CO -0.05 0.17 -0.07 0.08 -0.54 0.00 0.00 175.26 174.85 3ixq s VAL 139 N 0.46 0.63 0.06 3.70 1.01 -0.07 -0.29 120.40 125.90 3ixq s VAL 139 Ca 0.34 -0.25 -0.32 0.00 0.00 0.00 0.00 61.98 61.75 3ixq s VAL 139 Cb -0.18 -0.58 -0.11 0.00 0.00 0.00 0.00 36.38 35.51 3ixq s VAL 139 CO 0.17 0.21 1.85 -0.38 0.00 0.00 0.00 175.10 176.95 3ixq n ILE 140 N 3.47 0.46 -0.16 2.22 2.08 0.25 -1.34 119.36 126.33 3ixq n ILE 140 Ca -0.20 -0.08 0.14 0.00 0.56 0.00 0.00 62.75 63.17 3ixq n ILE 140 Cb 0.54 -2.04 0.49 0.00 -0.75 0.00 0.00 39.64 37.88 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 8.81 0.44 0.00 0.38 0.11 -1.90 0.14 132.00 139.98 3ixq h PRO 141 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ixq h PRO 141 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ixq h PRO 141 CO 0.94 0.29 0.00 0.66 -0.21 0.00 0.00 178.00 179.68 3ixq h SER 142 N 0.45 0.00 -0.38 -2.05 4.64 -1.98 -2.88 113.55 111.35 3ixq h SER 142 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3ixq h SER 142 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3ixq h SER 142 CO -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.84 3ixq n ALA 143 N -1.83 2.36 -0.22 5.18 0.00 0.48 -4.70 120.51 121.76 3ixq n ALA 143 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 53.44 52.29 3ixq n ALA 143 Cb 0.15 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 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 3.45 -1.70 -0.18 0.00 -0.00 -1.53 -0.10 116.97 116.91 3ixq h TYR 144 Ca 0.00 0.09 -0.00 0.00 -0.00 0.00 0.00 58.73 58.82 3ixq h TYR 144 Cb 0.84 0.82 -0.01 0.00 -0.00 0.00 0.00 36.73 38.38 3ixq h TYR 144 CO 0.25 -0.43 0.11 -0.09 -0.00 0.00 0.00 178.16 177.99 3ixq h ARG 145 N -0.25 0.24 0.00 1.82 2.43 -1.87 -1.06 114.38 115.69 3ixq h ARG 145 Ca 0.10 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3ixq h ARG 145 Cb 0.51 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3ixq h ARG 145 CO -0.68 0.22 -0.30 -0.39 -1.51 0.00 0.00 179.97 177.30 3ixq h VAL 146 N 0.20 0.80 -0.14 0.20 -1.51 -1.81 -1.21 116.25 112.78 3ixq h VAL 146 Ca 0.06 -1.25 -0.23 0.00 -1.23 0.00 0.00 66.70 64.06 3ixq h VAL 146 Cb 0.04 1.77 0.01 0.00 -2.13 0.00 0.00 31.29 30.98 3ixq h VAL 146 CO -0.01 0.29 -0.80 0.58 -1.23 0.00 0.00 177.57 176.40 3ixq h VAL 147 N 0.00 1.28 -0.53 7.19 2.07 -0.75 -1.77 116.25 123.73 3ixq h VAL 147 Ca -0.00 -2.00 0.09 0.00 0.82 0.00 0.00 66.70 65.60 3ixq h VAL 147 Cb 0.75 2.02 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 3ixq h VAL 147 CO 0.04 0.63 0.15 0.40 0.02 0.00 0.00 177.57 178.82 3ixq h ILE 148 N 0.52 0.75 0.15 4.57 1.08 -0.88 -0.54 117.51 123.16 3ixq h ILE 148 Ca -0.06 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.31 3ixq h ILE 148 Cb 1.43 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 3ixq h ILE 148 CO 0.16 0.06 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.41 3ixq h ARG 149 N 0.31 -0.37 -0.60 2.37 2.43 -1.15 -0.73 114.38 116.64 3ixq h ARG 149 Ca 0.27 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3ixq h ARG 149 Cb 0.34 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3ixq h ARG 149 CO -0.31 -0.25 0.37 0.00 -1.51 0.00 0.00 179.97 178.28 3ixq h ALA 150 N 0.41 0.77 -0.39 2.80 0.00 -0.88 0.14 119.26 122.10 3ixq h ALA 150 Ca 0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3ixq h ALA 150 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ixq h ALA 150 CO -0.07 0.24 -0.08 -0.07 0.00 0.00 0.00 179.25 179.27 3ixq h LEU 151 N 0.82 0.64 -0.24 0.00 3.38 -0.97 -1.86 115.31 117.07 3ixq h LEU 151 Ca 0.22 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3ixq h LEU 151 Cb -0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3ixq h LEU 151 CO -0.04 0.76 -0.14 0.28 0.09 0.00 0.00 178.44 179.39 3ixq h SER 152 N 0.61 0.54 -0.95 -0.43 0.02 -0.54 0.16 113.55 112.96 3ixq h SER 152 Ca 0.11 -0.42 0.21 0.00 -0.84 0.00 0.00 61.79 60.85 3ixq h SER 152 Cb 0.50 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.81 3ixq h SER 152 CO 0.03 0.85 0.62 -0.33 -1.14 0.00 0.00 176.83 176.85 3ixq h GLU 153 N 0.23 0.49 -0.00 3.45 5.08 -0.54 -1.15 114.58 122.15 3ixq h GLU 153 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ixq h GLU 153 Cb 0.65 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3ixq h GLU 153 CO 0.04 0.33 -0.00 -1.33 -1.00 0.00 0.00 179.01 177.04 3ixq n MET 154 N -4.59 0.90 0.00 2.33 2.81 -0.72 -4.87 117.12 112.98 3ixq n MET 154 Ca 0.21 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3ixq n MET 154 Cb 0.69 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 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 1.06 0.90 3.93 3.03 0.00 -0.44 -5.02 105.19 108.66 3ixq n GLY 155 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.65 1.50 -0.42 -0.02 0.00 0.02 -4.78 107.32 101.96 3ixq s GLY 156 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 44.72 43.78 3ixq s GLY 156 CO 0.00 -0.76 0.28 1.85 0.00 0.00 0.00 173.10 174.46 3ixq s GLU 157 N -4.03 2.69 -0.11 2.90 2.12 -0.51 -4.05 118.70 117.71 3ixq s GLU 157 Ca 0.40 -1.40 0.00 0.00 0.36 0.00 0.00 54.97 54.33 3ixq s GLU 157 Cb -0.10 -3.84 -0.02 0.00 0.26 0.00 0.00 34.13 30.43 3ixq s GLU 157 CO 0.34 -0.94 -0.10 0.00 -0.54 0.00 0.00 175.26 174.01 3ixq s ALA 158 N 1.47 2.77 -0.02 6.30 0.00 -1.26 -1.35 121.76 129.67 3ixq s ALA 158 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3ixq s ALA 158 Cb -0.23 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.66 3ixq s ALA 158 CO 0.03 0.36 -0.03 0.08 0.00 0.00 0.00 175.76 176.20 3ixq s VAL 159 N -0.06 0.33 0.22 0.00 1.01 -0.35 -4.98 120.40 116.57 3ixq s VAL 159 Ca -0.01 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 3ixq s VAL 159 Cb -0.14 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 3ixq s VAL 159 CO 0.03 0.13 1.34 -0.51 0.00 0.00 0.00 175.10 176.09 3ixq s ILE 160 N 0.35 3.05 -0.23 2.22 2.07 -1.26 -1.00 121.20 126.40 3ixq s ILE 160 Ca -0.04 0.88 -0.27 0.00 -1.41 0.00 0.00 60.65 59.81 3ixq s ILE 160 Cb -0.07 -3.56 0.00 0.00 0.13 0.00 0.00 42.46 38.96 3ixq s ILE 160 CO -0.01 0.14 0.96 -0.60 -1.91 0.00 0.00 174.94 173.53 3ixq s ARG 161 N -0.29 4.24 0.12 3.50 3.52 -0.12 -4.89 118.95 125.03 3ixq s ARG 161 Ca 0.57 1.21 -0.02 0.00 -0.13 0.00 0.00 55.73 57.36 3ixq s ARG 161 Cb -0.38 -3.64 -0.05 0.00 -1.56 0.00 0.00 34.95 29.33 3ixq s ARG 161 CO 0.40 -0.57 0.31 -0.51 -0.81 0.00 0.00 175.30 174.12 3ixq s LEU 162 N 3.00 4.30 0.45 -0.88 1.43 -1.26 -0.77 118.68 124.95 3ixq s LEU 162 Ca 0.41 0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 53.78 3ixq s LEU 162 Cb -0.15 -3.13 -0.08 0.00 0.03 0.00 0.00 46.19 42.86 3ixq s LEU 162 CO 0.07 0.08 0.88 -0.83 0.23 0.00 0.00 176.35 176.78 3ixq s GLY 163 N -2.62 2.05 -0.02 -3.19 0.00 0.51 -4.56 107.32 99.49 3ixq s GLY 163 Ca 0.38 0.03 0.17 0.00 0.00 0.00 0.00 44.72 45.30 3ixq s GLY 163 CO 0.27 0.27 0.41 1.22 0.00 0.00 0.00 173.10 175.27 3ixq n ASP 164 N -1.34 1.09 0.00 1.64 8.00 -1.26 -4.53 116.55 120.15 3ixq n ASP 164 Ca 0.05 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3ixq n ASP 164 Cb 0.54 1.67 0.00 0.00 -0.02 0.00 0.00 41.12 43.31 3ixq n ASP 164 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ixq n ARG 165 N -1.99 2.61 -3.84 -1.24 5.12 -1.26 -4.97 116.66 111.09 3ixq n ARG 165 Ca -0.02 -1.40 -0.12 0.00 -1.93 0.00 0.00 57.85 54.38 3ixq n ARG 165 Cb 0.41 -0.99 -0.09 0.00 -1.16 0.00 0.00 32.46 30.63 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 -0.90 0.55 0.29 5.56 -2.85 -1.26 -5.15 119.74 115.99 3ixq s LYS 166 Ca 0.00 -0.38 -0.28 0.00 -1.00 0.00 0.00 55.97 54.30 3ixq s LYS 166 Cb 0.00 0.23 -0.09 0.00 -2.06 0.00 0.00 37.83 35.91 3ixq s LYS 166 CO 0.00 -0.14 1.01 1.03 0.10 0.00 0.00 175.35 177.35 3ixq s ARG 167 N -1.52 4.62 0.93 1.78 1.81 -1.26 -4.08 118.95 121.23 3ixq s ARG 167 Ca -0.13 1.58 0.00 0.00 -1.72 0.00 0.00 55.73 55.45 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 0.02 0.26 0.00 0.41 -0.68 0.00 0.00 175.30 175.31 3ixq n GLY 168 N 1.04 -1.82 3.64 -3.53 0.00 -1.26 -4.89 105.19 98.38 3ixq n GLY 168 Ca 0.00 -1.61 -0.45 0.00 0.00 0.00 0.00 46.02 43.96 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 1.77 -1.76 1.61 -0.02 -1.26 -0.36 135.00 134.98 3ixq n PRO 169 Ca 0.00 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 3ixq n PRO 169 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 1.27 2.09 -5.00 -1.45 0.31 0.05 -4.55 118.33 111.06 3ixq n VAL 170 Ca 0.11 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.61 3ixq n VAL 170 Cb 0.31 -1.89 -0.15 0.00 -0.91 0.00 0.00 33.84 31.20 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 -1.12 2.69 0.86 2.52 -1.09 -1.26 -3.90 121.20 119.90 3ixq s ILE 171 Ca 0.54 -0.83 -0.13 0.00 -2.23 0.00 0.00 60.65 58.01 3ixq s ILE 171 Cb -0.49 -2.05 0.11 0.00 -1.58 0.00 0.00 42.46 38.45 3ixq s ILE 171 CO 0.63 0.57 1.17 0.42 -1.23 0.00 0.00 174.94 176.50 3ixq s THR 172 N -0.24 1.99 0.24 2.92 -4.23 -0.24 -4.91 115.64 111.17 3ixq s THR 172 Ca 0.00 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.81 3ixq s THR 172 Cb -0.13 -2.90 0.30 0.00 1.34 0.00 0.00 72.50 71.10 3ixq s THR 172 CO 0.03 0.00 1.90 0.44 -0.54 0.00 0.00 174.62 176.45 3ixq h ASP 173 N -1.28 0.00 -0.18 3.99 3.32 -1.91 -1.50 116.42 118.85 3ixq h ASP 173 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3ixq h ASP 173 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3ixq h ASP 173 CO 0.62 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.73 3ixq n ASN 174 N -2.60 3.21 0.00 6.45 3.02 -1.26 -4.97 115.26 119.10 3ixq n ASN 174 Ca -0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 3ixq n ASN 174 Cb 0.13 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 1.42 0.78 3.82 7.41 0.00 -0.56 -5.07 105.19 112.98 3ixq n GLY 175 Ca 0.16 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.08 4.76 0.53 1.61 0.01 -1.26 -4.79 114.94 113.71 3ixq s ASN 176 Ca 0.00 -0.91 0.03 0.00 -0.71 0.00 0.00 52.86 51.27 3ixq s ASN 176 Cb 0.00 -0.51 0.03 0.00 0.41 0.00 0.00 41.25 41.19 3ixq s ASN 176 CO 0.00 -0.62 0.74 -0.04 -1.51 0.00 0.00 177.10 175.67 3ixq s MET 177 N -4.03 2.56 -0.11 -0.60 -1.94 -0.45 -1.08 119.30 113.64 3ixq s MET 177 Ca 0.45 -0.94 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 3ixq s MET 177 Cb 0.00 -2.55 0.01 0.00 2.01 0.00 0.00 34.83 34.30 3ixq s MET 177 CO 0.25 -0.65 -0.15 0.42 -0.01 0.00 0.00 175.02 174.88 3ixq s ILE 178 N -2.68 1.50 -0.15 2.53 1.01 -1.25 -0.89 121.20 121.28 3ixq s ILE 178 Ca 0.57 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 3ixq s ILE 178 Cb -0.10 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3ixq s ILE 178 CO 0.37 0.44 -0.05 -0.63 0.00 0.00 0.00 174.94 175.08 3ixq s ILE 179 N 0.97 3.82 -0.18 2.92 1.01 0.18 -0.95 121.20 128.97 3ixq s ILE 179 Ca -0.07 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 3ixq s ILE 179 Cb -0.15 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3ixq s ILE 179 CO -0.01 0.50 0.09 -1.81 0.00 0.00 0.00 174.94 173.70 3ixq s ASP 180 N 0.31 5.85 -0.10 3.58 1.01 -0.17 -0.60 116.67 126.53 3ixq s ASP 180 Ca -0.04 0.16 0.01 0.00 0.71 0.00 0.00 52.55 53.38 3ixq s ASP 180 Cb -0.14 -1.99 0.02 0.00 1.01 0.00 0.00 42.92 41.82 3ixq s ASP 180 CO 0.03 0.20 -0.10 0.54 0.21 0.00 0.00 175.17 176.05 3ixq s VAL 181 N 0.22 1.15 -0.07 -1.27 0.11 -0.02 -1.21 120.40 119.31 3ixq s VAL 181 Ca 0.06 -0.41 -0.29 0.00 -2.93 0.00 0.00 61.98 58.41 3ixq s VAL 181 Cb -0.12 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.60 3ixq s VAL 181 CO -0.00 0.38 0.96 -0.36 -3.33 0.00 0.00 175.10 172.74 3ixq s PHE 182 N 1.30 3.56 0.04 1.54 0.08 -0.46 0.17 117.98 124.21 3ixq s PHE 182 Ca -0.02 1.57 0.01 0.00 0.12 0.00 0.00 56.93 58.61 3ixq s PHE 182 Cb -0.14 -3.12 -0.02 0.00 -0.57 0.00 0.00 43.02 39.17 3ixq s PHE 182 CO -0.04 -0.12 -0.05 -1.64 -0.10 0.00 0.00 175.22 173.26 3ixq s MET 183 N 1.57 0.46 -0.55 0.44 -1.94 -1.26 -1.43 119.30 116.59 3ixq s MET 183 Ca 0.48 -0.75 -0.22 0.00 -1.71 0.00 0.00 55.69 53.48 3ixq s MET 183 Cb -0.19 -0.09 0.05 0.00 2.01 0.00 0.00 34.83 36.61 3ixq s MET 183 CO 0.21 -0.00 0.82 1.21 -0.01 0.00 0.00 175.02 177.24 3ixq s ASN 184 N -1.69 6.27 -0.47 3.03 3.84 -1.26 -4.58 114.94 120.07 3ixq s ASN 184 Ca -0.10 -0.67 -0.24 0.00 0.21 0.00 0.00 52.86 52.06 3ixq s ASN 184 Cb -0.08 -2.37 0.03 0.00 -0.55 0.00 0.00 41.25 38.27 3ixq s ASN 184 CO -0.01 -1.12 0.86 -0.63 -2.79 0.00 0.00 177.10 173.41 3ixq s ILE 185 N 3.42 4.55 -0.12 -5.21 1.01 -1.26 -4.90 121.20 118.68 3ixq s ILE 185 Ca 0.23 0.48 -0.11 0.00 0.00 0.00 0.00 60.65 61.26 3ixq s ILE 185 Cb -0.16 -4.40 -0.09 0.00 0.01 0.00 0.00 42.46 37.82 3ixq s ILE 185 CO 0.15 -0.83 0.21 -0.78 0.00 0.00 0.00 174.94 173.68 3ixq h ASP 186 N 9.08 0.00 -3.34 3.58 3.58 -1.95 -3.45 116.42 123.92 3ixq h ASP 186 Ca -0.25 -0.31 -0.61 0.00 0.42 0.00 0.00 57.03 56.28 3ixq h ASP 186 Cb 1.08 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.73 3ixq h ASP 186 CO 1.01 0.73 -0.75 -0.62 -2.88 0.00 0.00 179.24 176.73 3ixq s ASP 187 N -5.84 4.23 0.22 2.28 -1.08 -1.26 -5.02 116.67 110.20 3ixq s ASP 187 Ca -0.09 -1.76 -0.05 0.00 -0.52 0.00 0.00 52.55 50.13 3ixq s ASP 187 Cb -0.00 -1.10 0.19 0.00 -1.46 0.00 0.00 42.92 40.55 3ixq s ASP 187 CO 0.26 -0.40 1.65 0.00 0.52 0.00 0.00 175.17 177.20 3ixq h ALA 188 N 7.94 0.90 -0.37 3.66 0.00 -1.99 -0.11 119.26 129.29 3ixq h ALA 188 Ca -0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3ixq h ALA 188 Cb 1.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3ixq h ALA 188 CO 0.48 0.63 0.16 0.82 0.00 0.00 0.00 179.25 181.34 3ixq h ILE 189 N 0.71 1.19 -0.25 0.00 2.04 -1.97 -0.62 117.51 118.61 3ixq h ILE 189 Ca 0.11 -0.56 -0.15 0.00 1.00 0.00 0.00 64.86 65.25 3ixq h ILE 189 Cb 0.69 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3ixq h ILE 189 CO 0.05 0.20 -0.47 -0.08 0.00 0.00 0.00 178.15 177.85 3ixq h GLU 190 N 0.46 0.65 -0.43 2.37 4.57 -1.95 -2.70 114.58 117.56 3ixq h GLU 190 Ca 0.13 -0.37 -0.13 0.00 -1.18 0.00 0.00 59.36 57.80 3ixq h GLU 190 Cb 0.17 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3ixq h GLU 190 CO -0.01 0.98 -0.25 1.25 -1.18 0.00 0.00 179.01 179.81 3ixq h LEU 191 N 0.52 0.95 -0.54 1.64 5.85 -0.79 -0.36 115.31 122.59 3ixq h LEU 191 Ca 0.03 -0.42 0.09 0.00 0.84 0.00 0.00 57.88 58.42 3ixq h LEU 191 Cb 1.02 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 3ixq h LEU 191 CO 0.10 1.16 0.13 -0.08 -0.34 0.00 0.00 178.44 179.41 3ixq h GLU 192 N 0.75 0.26 -0.37 1.25 4.81 -1.09 0.29 114.58 120.49 3ixq h GLU 192 Ca 0.09 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3ixq h GLU 192 Cb 0.82 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3ixq h GLU 192 CO 0.07 0.17 0.10 -0.22 -0.73 0.00 0.00 179.01 178.40 3ixq h LYS 193 N 0.27 0.59 -0.49 1.92 3.64 -1.14 -2.64 116.57 118.72 3ixq h LYS 193 Ca 0.27 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 3ixq h LYS 193 Cb 0.37 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3ixq h LYS 193 CO -0.34 0.62 -0.19 0.93 -2.27 0.00 0.00 179.45 178.20 3ixq h GLU 194 N 0.45 0.99 -0.60 1.90 5.08 -0.62 -2.57 114.58 119.21 3ixq h GLU 194 Ca 0.12 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 3ixq h GLU 194 Cb 0.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3ixq h GLU 194 CO -0.00 1.09 0.07 0.82 -1.00 0.00 0.00 179.01 179.98 3ixq h ILE 195 N 0.85 1.26 0.00 3.13 2.04 -0.95 -2.46 117.51 121.39 3ixq h ILE 195 Ca 0.12 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3ixq h ILE 195 Cb 0.76 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3ixq h ILE 195 CO 0.06 0.38 -0.09 0.78 0.00 0.00 0.00 178.15 179.28 3ixq h ASN 196 N 0.91 0.00 -0.04 1.72 2.35 -1.31 -2.46 115.58 116.75 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 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3ixq h ASN 196 CO 0.02 0.09 0.00 -3.20 -1.65 0.00 0.00 177.43 172.69 3ixq n ASN 197 N -3.63 0.80 -4.68 5.81 5.15 -0.93 -4.78 115.26 113.01 3ixq n ASN 197 Ca -0.02 -1.37 -0.43 0.00 -0.60 0.00 0.00 54.58 52.16 3ixq n ASN 197 Cb 0.21 -0.02 -0.02 0.00 -0.53 0.00 0.00 39.78 39.42 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 -1.96 4.41 0.22 -1.44 1.01 -0.93 -4.99 121.20 117.52 3ixq s ILE 198 Ca 0.38 1.71 -0.32 0.00 0.00 0.00 0.00 60.65 62.42 3ixq s ILE 198 Cb 0.19 -4.10 -0.12 0.00 0.01 0.00 0.00 42.46 38.44 3ixq s ILE 198 CO 0.31 -0.05 1.70 -2.65 0.00 0.00 0.00 174.94 174.25 3ixq n PRO 199 N 5.62 2.73 0.00 2.79 -0.02 -1.26 -1.32 135.00 143.54 3ixq n PRO 199 Ca 0.11 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 3ixq n PRO 199 Cb 0.46 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 3.72 3.23 3.69 -1.23 0.00 -1.26 -4.70 105.19 108.64 3ixq n GLY 200 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.83 4.94 -0.19 1.61 1.01 -0.43 -0.58 120.40 123.93 3ixq s VAL 201 Ca 0.00 1.60 -0.23 0.00 0.00 0.00 0.00 61.98 63.35 3ixq s VAL 201 Cb 0.00 -4.12 -0.20 0.00 0.00 0.00 0.00 36.38 32.06 3ixq s VAL 201 CO 0.00 0.12 0.32 0.58 0.00 0.00 0.00 175.10 176.12 3ixq h VAL 202 N 4.99 1.06 -2.65 2.92 2.07 -0.97 -3.46 116.25 120.22 3ixq h VAL 202 Ca -0.35 -2.21 0.04 0.00 0.82 0.00 0.00 66.70 65.00 3ixq h VAL 202 Cb 1.17 2.43 -0.14 0.00 -1.52 0.00 0.00 31.29 33.23 3ixq h VAL 202 CO 0.79 0.37 0.35 -0.70 0.02 0.00 0.00 177.57 178.41 3ixq s GLU 203 N -2.34 1.06 0.22 1.57 2.56 -1.23 -5.02 118.70 115.52 3ixq s GLU 203 Ca -0.27 -0.39 0.04 0.00 0.00 0.00 0.00 54.97 54.35 3ixq s GLU 203 Cb 0.04 0.49 -0.05 0.00 2.00 0.00 0.00 34.13 36.61 3ixq s GLU 203 CO 0.61 -0.46 -0.02 0.54 -0.56 0.00 0.00 175.26 175.37 3ixq s ASN 204 N -2.62 1.83 0.00 -1.70 2.20 -1.26 -1.17 114.94 112.22 3ixq s ASN 204 Ca 0.03 -1.19 0.22 0.00 -0.94 0.00 0.00 52.86 50.98 3ixq s ASN 204 Cb -0.01 0.01 1.00 0.00 -2.00 0.00 0.00 41.25 40.25 3ixq s ASN 204 CO -0.11 -0.49 1.68 0.61 -2.94 0.00 0.00 177.10 175.86 3ixq n GLY 205 N -0.39 -0.31 3.69 0.45 0.00 0.63 -4.78 105.19 104.48 3ixq n GLY 205 Ca -0.06 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.90 4.19 -0.10 -0.61 1.01 -1.26 -0.39 121.20 122.14 3ixq s ILE 206 Ca 0.32 1.53 0.03 0.00 0.00 0.00 0.00 60.65 62.54 3ixq s ILE 206 Cb 0.16 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3ixq s ILE 206 CO 0.26 0.02 -0.20 -0.36 0.00 0.00 0.00 174.94 174.66 3ixq s PHE 207 N 2.04 2.62 0.00 3.97 2.99 -0.41 -4.97 117.98 124.22 3ixq s PHE 207 Ca 0.57 -0.80 0.00 0.00 0.00 0.00 0.00 56.93 56.70 3ixq s PHE 207 Cb -0.26 -1.72 0.00 0.00 0.00 0.00 0.00 43.02 41.04 3ixq s PHE 207 CO 0.23 -0.27 0.69 0.25 -0.00 0.00 0.00 175.22 176.12 3ixq n THR 208 N 3.32 0.48 -3.81 0.64 -2.24 -1.26 -1.05 114.28 110.36 3ixq n THR 208 Ca -0.18 -0.54 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 3ixq n THR 208 Cb 0.53 0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 69.47 3ixq n THR 208 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ixq s LYS 209 N -0.48 1.45 -0.04 -0.78 2.20 -1.26 -4.94 119.74 115.89 3ixq s LYS 209 Ca 0.00 -2.09 0.04 0.00 -0.36 0.00 0.00 55.97 53.56 3ixq s LYS 209 Cb 0.00 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 3ixq s LYS 209 CO 0.00 -1.11 -0.15 0.08 -0.36 0.00 0.00 175.35 173.81 3ixq s VAL 210 N 0.33 1.25 -0.17 4.02 1.01 -1.26 -4.83 120.40 120.75 3ixq s VAL 210 Ca 0.16 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 3ixq s VAL 210 Cb -0.24 -1.09 -0.23 0.00 0.00 0.00 0.00 36.38 34.83 3ixq s VAL 210 CO -0.03 0.37 0.45 0.44 0.00 0.00 0.00 175.10 176.33 3ixq h ASP 211 N 6.37 0.08 -5.07 3.32 3.32 -1.67 -3.47 116.42 119.29 3ixq h ASP 211 Ca -0.32 -0.73 -0.03 0.00 0.02 0.00 0.00 57.03 55.97 3ixq h ASP 211 Cb 1.17 -0.03 -0.11 0.00 0.22 0.00 0.00 39.33 40.58 3ixq h ASP 211 CO 0.48 1.38 0.03 -1.59 -1.72 0.00 0.00 179.24 177.82 3ixq s LYS 212 N -2.35 1.26 -0.13 3.56 -2.85 -1.11 -4.60 119.74 113.52 3ixq s LYS 212 Ca -0.24 -0.74 0.02 0.00 -1.00 0.00 0.00 55.97 54.01 3ixq s LYS 212 Cb 0.03 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.33 3ixq s LYS 212 CO 0.66 -0.52 -0.19 0.08 0.10 0.00 0.00 175.35 175.48 3ixq s VAL 213 N -3.83 1.81 -0.24 1.79 1.01 -0.53 -1.17 120.40 119.24 3ixq s VAL 213 Ca 0.05 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 3ixq s VAL 213 Cb -0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3ixq s VAL 213 CO -0.08 0.50 0.25 -0.76 0.00 0.00 0.00 175.10 175.02 3ixq s LEU 214 N 0.98 4.10 -0.20 3.92 1.02 0.39 -0.60 118.68 128.30 3ixq s LEU 214 Ca -0.05 0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.32 3ixq s LEU 214 Cb -0.15 -2.26 0.02 0.00 0.02 0.00 0.00 46.19 43.82 3ixq s LEU 214 CO -0.03 -0.02 -0.16 -0.69 0.02 0.00 0.00 176.35 175.46 3ixq s VAL 215 N 1.37 2.33 -0.17 -1.59 1.01 -0.21 -1.45 120.40 121.70 3ixq s VAL 215 Ca 0.11 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 3ixq s VAL 215 Cb -0.14 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 3ixq s VAL 215 CO 0.07 0.46 1.05 -0.83 0.00 0.00 0.00 175.10 175.85 3ixq s GLY 216 N 1.31 1.98 0.36 4.51 0.00 0.43 -1.37 107.32 114.54 3ixq s GLY 216 Ca 0.04 0.29 0.04 0.00 0.00 0.00 0.00 44.72 45.09 3ixq s GLY 216 CO -0.10 2.10 0.07 -0.51 0.00 0.00 0.00 173.10 174.65 3ixq s THR 217 N 2.69 1.08 0.40 0.90 -4.23 0.14 -0.90 115.64 115.71 3ixq s THR 217 Ca 0.47 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.04 3ixq s THR 217 Cb -0.17 -2.66 0.25 0.00 1.34 0.00 0.00 72.50 71.26 3ixq s THR 217 CO 0.12 0.00 2.03 0.11 -0.54 0.00 0.00 174.62 176.34 3ixq h LYS 218 N 1.98 0.55 -0.02 3.99 1.57 -2.00 -2.50 116.57 120.14 3ixq h LYS 218 Ca -0.40 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.12 3ixq h LYS 218 Cb 1.26 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3ixq h LYS 218 CO 0.67 0.40 -0.89 0.87 -0.57 0.00 0.00 179.45 179.93 3ixq h LYS 219 N 0.56 0.41 0.00 3.15 1.57 -1.99 -3.50 116.57 116.76 3ixq h LYS 219 Ca 0.15 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3ixq h LYS 219 Cb -0.00 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3ixq h LYS 219 CO -0.03 1.07 0.00 0.41 -0.57 0.00 0.00 179.45 180.34 3ixq n GLY 220 N 0.85 -0.59 2.88 3.86 0.00 -0.94 -5.10 105.19 106.15 3ixq n GLY 220 Ca -0.06 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.69 1.08 0.14 1.61 1.01 -1.26 0.24 120.40 121.52 3ixq s VAL 221 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 3ixq s VAL 221 Cb 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 3ixq s VAL 221 CO 0.00 0.07 0.42 -1.59 0.00 0.00 0.00 175.10 174.00 3ixq s LYS 222 N 1.64 3.71 -0.17 2.72 -2.85 -0.47 -4.87 119.74 119.45 3ixq s LYS 222 Ca -0.00 0.09 -0.07 0.00 -1.00 0.00 0.00 55.97 54.98 3ixq s LYS 222 Cb -0.16 -2.86 -0.04 0.00 -2.06 0.00 0.00 37.83 32.71 3ixq s LYS 222 CO -0.07 0.47 0.08 0.99 0.10 0.00 0.00 175.35 176.91 3ixq s THR 223 N -1.60 4.97 -0.09 3.79 2.01 -1.26 -1.04 115.64 122.42 3ixq s THR 223 Ca 0.39 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.43 3ixq s THR 223 Cb -0.13 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 3ixq s THR 223 CO 0.21 0.50 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.76 3ixq s LEU 224 N 0.03 2.81 -0.14 4.42 1.43 0.23 -4.98 118.68 122.48 3ixq s LEU 224 Ca 0.07 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 3ixq s LEU 224 Cb -0.12 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 44.53 3ixq s LEU 224 CO 0.00 0.26 0.44 -0.75 0.23 0.00 0.00 176.35 176.53 3ixq s LYS 225 N -0.18 0.56 0.00 1.70 2.20 -1.26 -1.45 119.74 121.31 3ixq s LYS 225 Ca 0.00 0.51 0.24 0.00 -0.36 0.00 0.00 55.97 56.37 3ixq s LYS 225 Cb -0.13 0.27 1.45 0.00 -1.51 0.00 0.00 37.83 37.90 3ixq s LYS 225 CO 0.03 -0.09 1.81 1.63 -0.36 0.00 0.00 175.35 178.38