#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixd n PRO 5 N 0.00 1.59 -0.44 0.00 -0.02 -1.26 -4.77 135.00 130.09 3ixd n PRO 5 Ca 0.00 0.58 0.36 0.00 -2.02 0.00 0.00 63.50 62.42 3ixd n PRO 5 Cb 0.00 -2.31 0.66 0.00 -0.02 0.00 0.00 33.50 31.83 3ixd n PRO 5 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3ixd h GLN 6 N 7.15 0.11 -0.88 -0.52 3.07 -2.05 0.35 115.11 122.34 3ixd h GLN 6 Ca -0.47 -0.01 0.05 0.00 0.09 0.00 0.00 58.65 58.31 3ixd h GLN 6 Cb 1.30 -0.03 -0.05 0.00 0.08 0.00 0.00 27.48 28.78 3ixd h GLN 6 CO 0.91 0.07 0.58 0.37 0.09 0.00 0.00 178.83 180.85 3ixd h GLN 7 N 0.12 1.02 0.01 0.06 4.15 -2.00 -0.04 115.11 118.42 3ixd h GLN 7 Ca 0.76 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 60.12 3ixd h GLN 7 Cb 2.51 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.97 3ixd h GLN 7 CO -0.28 0.67 -0.00 0.82 -1.93 0.00 0.00 178.83 178.11 3ixd h ILE 8 N 1.05 1.54 -0.83 2.39 2.04 -0.66 -3.08 117.51 119.96 3ixd h ILE 8 Ca 0.36 -1.74 0.21 0.00 1.00 0.00 0.00 64.86 64.69 3ixd h ILE 8 Cb 0.11 2.70 -0.14 0.00 -0.74 0.00 0.00 36.82 38.75 3ixd h ILE 8 CO -0.12 0.44 0.12 0.78 0.00 0.00 0.00 178.15 179.37 3ixd h ASN 9 N -0.77 -0.18 0.30 1.72 2.35 -1.26 -0.14 115.58 117.59 3ixd h ASN 9 Ca -0.00 0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3ixd h ASN 9 Cb 0.74 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 3ixd h ASN 9 CO 0.00 -0.17 -0.25 -0.78 -1.65 0.00 0.00 177.43 174.58 3ixd h ASP 10 N 0.15 -0.67 0.46 5.81 3.58 -1.02 -1.56 116.42 123.18 3ixd h ASP 10 Ca 0.49 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.83 3ixd h ASP 10 Cb 0.94 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 3ixd h ASP 10 CO -0.68 -0.34 -0.68 -0.29 -2.88 0.00 0.00 179.24 174.37 3ixd h ILE 11 N -0.53 1.43 0.61 2.25 6.09 -1.40 -1.90 117.51 124.06 3ixd h ILE 11 Ca -0.04 -2.19 -0.03 0.00 -1.37 0.00 0.00 64.86 61.23 3ixd h ILE 11 Cb 0.45 2.15 0.01 0.00 0.47 0.00 0.00 36.82 39.90 3ixd h ILE 11 CO -0.00 0.64 -0.29 0.58 -3.07 0.00 0.00 178.15 176.00 3ixd h VAL 12 N 0.14 0.38 -0.33 2.19 2.07 -1.03 -0.69 116.25 118.99 3ixd h VAL 12 Ca -0.02 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 3ixd h VAL 12 Cb 1.22 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3ixd h VAL 12 CO 0.10 0.01 -0.17 0.45 0.02 0.00 0.00 177.57 177.99 3ixd h HIS 13 N -0.87 0.65 0.00 1.57 3.86 -1.24 0.17 115.15 119.30 3ixd h HIS 13 Ca -0.08 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 58.96 3ixd h HIS 13 Cb 0.65 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 3ixd h HIS 13 CO -0.02 0.72 -0.24 0.00 0.86 0.00 0.00 177.93 179.25 3ixd h ARG 14 N 0.53 0.00 0.03 2.45 3.08 -1.33 -3.01 114.38 116.14 3ixd h ARG 14 Ca 0.09 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.78 3ixd h ARG 14 Cb 0.59 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 3ixd h ARG 14 CO 0.04 0.24 -2.07 2.41 -1.07 0.00 0.00 179.97 179.52 3ixd n THR 15 N -3.36 1.59 0.07 2.04 -1.04 -0.27 -4.52 114.28 108.80 3ixd n THR 15 Ca 0.00 -0.42 -0.05 0.00 -2.04 0.00 0.00 64.05 61.54 3ixd n THR 15 Cb 0.46 -1.77 -0.10 0.00 -1.82 0.00 0.00 70.33 67.10 3ixd n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3ixd h ILE 16 N -0.47 1.58 -0.05 12.58 1.08 -0.78 -2.91 117.51 128.54 3ixd h ILE 16 Ca -0.51 -3.23 -0.01 0.00 -0.39 0.00 0.00 64.86 60.72 3ixd h ILE 16 Cb 1.72 2.78 -0.00 0.00 -3.07 0.00 0.00 36.82 38.25 3ixd h ILE 16 CO -0.15 0.90 0.00 0.74 -0.69 0.00 0.00 178.15 178.95 3ixd h THR 17 N 0.00 1.23 -0.12 -0.27 2.02 -1.71 0.22 112.91 114.28 3ixd h THR 17 Ca -0.01 -0.72 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 3ixd h THR 17 Cb 1.71 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 3ixd h THR 17 CO 0.12 0.20 -0.37 1.55 0.37 0.00 0.00 175.52 177.39 3ixd h PRO 18 N -0.18 0.26 0.34 6.66 0.13 -1.79 -2.44 132.00 134.97 3ixd h PRO 18 Ca 0.02 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 3ixd h PRO 18 Cb 0.31 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 3ixd h PRO 18 CO 0.00 0.60 -0.23 1.25 -0.23 0.00 0.00 178.00 179.39 3ixd h LEU 19 N 0.22 -0.58 -0.90 1.56 5.85 -1.30 0.37 115.31 120.54 3ixd h LEU 19 Ca 0.02 0.04 0.21 0.00 0.84 0.00 0.00 57.88 58.99 3ixd h LEU 19 Cb 0.76 0.18 -0.12 0.00 0.37 0.00 0.00 40.66 41.85 3ixd h LEU 19 CO 0.06 -0.36 0.41 0.40 -0.34 0.00 0.00 178.44 178.61 3ixd h ILE 20 N -0.56 0.52 -0.13 4.05 2.04 -0.52 -1.73 117.51 121.20 3ixd h ILE 20 Ca -0.03 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 3ixd h ILE 20 Cb 0.47 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3ixd h ILE 20 CO 0.02 0.08 -0.24 -0.08 0.00 0.00 0.00 178.15 177.92 3ixd h GLU 21 N 0.45 0.39 -0.85 2.37 4.22 -0.75 -1.40 114.58 119.01 3ixd h GLU 21 Ca 0.55 -0.25 0.05 0.00 0.08 0.00 0.00 59.36 59.79 3ixd h GLU 21 Cb 1.00 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 3ixd h GLU 21 CO -0.50 0.85 0.54 1.96 -2.18 0.00 0.00 179.01 179.68 3ixd h GLN 22 N -0.02 0.98 -0.02 1.92 4.20 0.23 -3.07 115.11 119.32 3ixd h GLN 22 Ca 0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3ixd h GLN 22 Cb 0.83 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3ixd h GLN 22 CO 0.05 0.65 -0.04 1.04 -0.67 0.00 0.00 178.83 179.87 3ixd n GLN 23 N -4.59 1.97 -4.11 1.46 1.13 -0.70 -4.95 117.38 107.58 3ixd n GLN 23 Ca 0.11 -1.47 -0.30 0.00 -1.94 0.00 0.00 57.00 53.41 3ixd n GLN 23 Cb 0.14 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 28.97 3ixd n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3ixd n LYS 24 N 0.77 -1.95 -2.47 -1.09 5.02 -0.57 -4.92 118.16 112.95 3ixd n LYS 24 Ca 0.15 0.25 -0.43 0.00 -2.02 0.00 0.00 58.31 56.26 3ixd n LYS 24 Cb 0.49 -3.95 -0.02 0.00 -0.02 0.00 0.00 35.03 31.53 3ixd n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ixd s ILE 25 N -4.10 4.33 0.21 -0.18 1.01 -0.97 -4.94 121.20 116.56 3ixd s ILE 25 Ca 0.06 1.58 -0.04 0.00 0.00 0.00 0.00 60.65 62.25 3ixd s ILE 25 Cb -0.03 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.35 3ixd s ILE 25 CO 0.94 -0.24 1.61 1.55 0.00 0.00 0.00 174.94 178.80 3ixd h PRO 26 N 8.32 0.70 -3.57 2.79 0.13 -1.89 -3.46 132.00 135.03 3ixd h PRO 26 Ca -0.25 -0.31 -0.21 0.00 -0.87 0.00 0.00 66.00 64.36 3ixd h PRO 26 Cb 1.09 -0.02 -0.27 0.00 0.13 0.00 0.00 31.00 31.94 3ixd h PRO 26 CO 0.99 0.92 -0.63 0.20 -0.23 0.00 0.00 178.00 179.24 3ixd s GLY 27 N -3.92 -0.04 -0.13 1.56 0.00 -1.24 -0.63 107.32 102.92 3ixd s GLY 27 Ca -0.09 0.17 -0.09 0.00 0.00 0.00 0.00 44.72 44.71 3ixd s GLY 27 CO 0.83 0.14 0.32 -0.29 0.00 0.00 0.00 173.10 174.10 3ixd s MET 28 N -0.05 0.34 0.09 2.90 1.75 -0.67 -2.43 119.30 121.22 3ixd s MET 28 Ca -0.01 0.54 0.09 0.00 -1.25 0.00 0.00 55.69 55.06 3ixd s MET 28 Cb -0.01 0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.68 3ixd s MET 28 CO 0.00 -0.10 -0.21 0.00 -0.65 0.00 0.00 175.02 174.07 3ixd s ALA 29 N 0.72 2.56 -0.03 4.11 0.00 -0.40 -0.52 121.76 128.20 3ixd s ALA 29 Ca -0.04 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 3ixd s ALA 29 Cb -0.06 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3ixd s ALA 29 CO -0.05 0.57 0.08 0.08 0.00 0.00 0.00 175.76 176.45 3ixd s VAL 30 N -1.03 -0.01 -0.03 0.00 1.01 -0.12 -0.75 120.40 119.47 3ixd s VAL 30 Ca 0.16 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.21 3ixd s VAL 30 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 3ixd s VAL 30 CO 0.07 0.01 -0.17 0.00 0.00 0.00 0.00 175.10 175.01 3ixd s ALA 31 N 0.17 1.46 -0.13 5.51 0.00 -0.31 -0.25 121.76 128.22 3ixd s ALA 31 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3ixd s ALA 31 Cb -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 3ixd s ALA 31 CO -0.00 0.29 -0.17 0.08 0.00 0.00 0.00 175.76 175.96 3ixd s VAL 32 N -0.09 2.65 -0.40 0.00 1.01 -0.33 -1.25 120.40 121.99 3ixd s VAL 32 Ca -0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 3ixd s VAL 32 Cb -0.10 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.20 3ixd s VAL 32 CO 0.01 0.53 0.49 -0.63 0.00 0.00 0.00 175.10 175.50 3ixd s ILE 33 N 0.55 5.03 -0.15 2.22 1.09 0.12 -0.29 121.20 129.77 3ixd s ILE 33 Ca -0.10 -0.06 0.02 0.00 -1.10 0.00 0.00 60.65 59.40 3ixd s ILE 33 Cb -0.16 -4.03 0.01 0.00 -1.06 0.00 0.00 42.46 37.22 3ixd s ILE 33 CO 0.04 -0.38 -0.21 -0.47 -0.10 0.00 0.00 174.94 173.83 3ixd s TYR 34 N 2.32 2.63 -1.19 3.97 5.04 0.61 -1.88 117.35 128.85 3ixd s TYR 34 Ca 0.16 -1.40 -0.26 0.00 -2.44 0.00 0.00 57.07 53.12 3ixd s TYR 34 Cb -0.16 -1.81 0.02 0.00 0.35 0.00 0.00 41.96 40.36 3ixd s TYR 34 CO 0.14 -0.66 0.72 1.04 -1.34 0.00 0.00 175.55 175.45 3ixd n GLN 35 N 4.27 -0.84 -3.01 4.97 6.02 -1.21 -1.86 117.38 125.71 3ixd n GLN 35 Ca -0.20 0.28 -0.20 0.00 -0.01 0.00 0.00 57.00 56.86 3ixd n GLN 35 Cb 0.51 -3.41 0.00 0.00 1.02 0.00 0.00 30.24 28.36 3ixd n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ixd n GLY 36 N -1.89 -0.50 3.04 1.08 0.00 -1.25 -4.97 105.19 100.71 3ixd n GLY 36 Ca -0.11 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 3ixd n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixd s LYS 37 N -5.65 0.20 0.04 1.61 1.02 -0.78 -5.15 119.74 111.03 3ixd s LYS 37 Ca 0.26 0.39 -0.17 0.00 0.02 0.00 0.00 55.97 56.46 3ixd s LYS 37 Cb -0.13 -0.03 -0.06 0.00 -0.52 0.00 0.00 37.83 37.09 3ixd s LYS 37 CO 0.32 -0.10 0.50 -1.25 -0.92 0.00 0.00 175.35 173.90 3ixd s PRO 38 N 0.72 4.09 -0.06 -1.68 0.04 -1.26 -0.28 135.00 136.57 3ixd s PRO 38 Ca -0.05 0.60 0.02 0.00 0.04 0.00 0.00 61.00 61.61 3ixd s PRO 38 Cb -0.07 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.26 3ixd s PRO 38 CO -0.04 0.65 -0.10 0.71 0.04 0.00 0.00 177.00 178.26 3ixd s TYR 39 N -1.07 1.31 -0.04 0.56 1.51 0.60 -4.96 117.35 115.26 3ixd s TYR 39 Ca 0.27 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.82 3ixd s TYR 39 Cb -0.18 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 3ixd s TYR 39 CO 0.17 -0.27 0.12 0.71 -1.11 0.00 0.00 175.55 175.17 3ixd s TYR 40 N 0.75 3.44 -0.01 2.71 2.02 -1.26 -1.18 117.35 123.82 3ixd s TYR 40 Ca -0.13 0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.92 3ixd s TYR 40 Cb -0.15 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 3ixd s TYR 40 CO 0.03 0.62 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.52 3ixd s PHE 41 N -1.17 0.53 0.07 2.71 0.40 0.65 -4.99 117.98 116.19 3ixd s PHE 41 Ca 0.21 -0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.51 3ixd s PHE 41 Cb -0.12 -0.39 -0.03 0.00 0.51 0.00 0.00 43.02 42.99 3ixd s PHE 41 CO 0.12 -0.05 -0.19 0.95 0.70 0.00 0.00 175.22 176.75 3ixd s THR 42 N 0.14 1.55 0.05 0.64 -4.23 -1.26 -0.95 115.64 111.58 3ixd s THR 42 Ca -0.01 -1.35 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 3ixd s THR 42 Cb -0.05 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 72.37 3ixd s THR 42 CO -0.00 -0.00 0.04 0.26 -0.54 0.00 0.00 174.62 174.38 3ixd s TRP 43 N -1.04 0.32 0.00 3.99 0.51 0.33 -5.01 118.94 118.04 3ixd s TRP 43 Ca 0.05 -0.72 0.00 0.00 -2.12 0.00 0.00 56.10 53.31 3ixd s TRP 43 Cb -0.09 -0.23 0.00 0.00 -0.81 0.00 0.00 33.47 32.33 3ixd s TRP 43 CO 0.03 -0.37 0.00 0.41 -0.51 0.00 0.00 176.95 176.51 3ixd n GLY 44 N 0.55 -0.83 3.35 0.98 0.00 -1.26 -1.67 105.19 106.31 3ixd n GLY 44 Ca -0.17 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 3ixd n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ixd s TYR 45 N 0.00 2.60 0.18 1.61 1.51 0.20 -2.25 117.35 121.20 3ixd s TYR 45 Ca 0.00 -0.57 -0.10 0.00 -1.01 0.00 0.00 57.07 55.39 3ixd s TYR 45 Cb 0.00 -1.67 0.09 0.00 -0.11 0.00 0.00 41.96 40.27 3ixd s TYR 45 CO 0.00 -0.12 1.69 0.00 -1.11 0.00 0.00 175.55 176.01 3ixd h ALA 46 N 6.06 0.85 -3.36 3.71 0.00 -0.53 -3.28 119.26 122.71 3ixd h ALA 46 Ca -0.33 -0.24 -0.55 0.00 0.00 0.00 0.00 54.91 53.78 3ixd h ALA 46 Cb 1.18 -0.25 -0.39 0.00 0.00 0.00 0.00 17.79 18.33 3ixd h ALA 46 CO 0.50 0.58 -0.77 0.34 0.00 0.00 0.00 179.25 179.90 3ixd s ASP 47 N -6.38 3.27 0.04 0.00 -1.08 -1.15 -1.24 116.67 110.13 3ixd s ASP 47 Ca -0.12 -1.00 -0.25 0.00 -0.52 0.00 0.00 52.55 50.66 3ixd s ASP 47 Cb 0.14 -0.78 -0.17 0.00 -1.46 0.00 0.00 42.92 40.65 3ixd s ASP 47 CO 0.83 -0.30 1.50 0.40 0.52 0.00 0.00 175.17 178.13 3ixd h ILE 48 N 6.55 1.07 -0.65 4.11 2.04 -1.87 -1.55 117.51 127.21 3ixd h ILE 48 Ca -0.16 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 3ixd h ILE 48 Cb 1.10 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 3ixd h ILE 48 CO 0.37 0.12 0.35 0.00 0.00 0.00 0.00 178.15 178.99 3ixd h ALA 49 N 0.60 1.41 -0.52 1.87 0.00 -1.98 -1.64 119.26 118.99 3ixd h ALA 49 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ixd h ALA 49 Cb 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ixd h ALA 49 CO 0.02 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.39 3ixd n LYS 50 N -4.38 2.28 -4.11 0.00 5.02 -1.19 -4.97 118.16 110.82 3ixd n LYS 50 Ca 0.06 -1.99 -0.34 0.00 -2.02 0.00 0.00 58.31 54.03 3ixd n LYS 50 Cb 0.10 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 3ixd n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ixd n LYS 51 N 1.13 -0.69 -3.09 1.97 5.02 -0.62 -4.92 118.16 116.95 3ixd n LYS 51 Ca 0.19 0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 56.12 3ixd n LYS 51 Cb 0.48 -2.80 -0.06 0.00 -0.02 0.00 0.00 35.03 32.63 3ixd n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3ixd s GLN 52 N -7.08 4.09 0.63 1.97 -1.52 -0.71 -4.98 119.66 112.06 3ixd s GLN 52 Ca 0.17 0.55 -0.16 0.00 -1.95 0.00 0.00 55.36 53.97 3ixd s GLN 52 Cb -0.10 -3.66 -0.02 0.00 -0.22 0.00 0.00 33.01 29.02 3ixd s GLN 52 CO 0.89 -0.44 1.10 -1.25 -0.25 0.00 0.00 175.29 175.35 3ixd s PRO 53 N 2.54 2.97 -0.08 2.91 0.04 -1.26 0.09 135.00 142.21 3ixd s PRO 53 Ca 0.27 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3ixd s PRO 53 Cb -0.15 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3ixd s PRO 53 CO 0.09 -1.12 1.29 0.08 0.04 0.00 0.00 177.00 177.38 3ixd s VAL 54 N -2.26 4.11 0.18 -0.36 1.01 -0.96 -4.25 120.40 117.88 3ixd s VAL 54 Ca 0.67 1.42 0.01 0.00 0.00 0.00 0.00 61.98 64.08 3ixd s VAL 54 Cb -0.20 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.27 3ixd s VAL 54 CO 0.38 -0.05 0.06 0.35 0.00 0.00 0.00 175.10 175.84 3ixd n THR 55 N 4.95 0.00 0.99 3.92 -2.24 -1.26 -4.67 114.28 115.98 3ixd n THR 55 Ca 0.13 -0.81 0.13 0.00 -2.27 0.00 0.00 64.05 61.23 3ixd n THR 55 Cb 0.45 -0.06 0.59 0.00 -2.10 0.00 0.00 70.33 69.21 3ixd n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ixd n GLN 56 N -0.67 0.09 0.00 -0.78 6.02 -1.26 -2.57 117.38 118.21 3ixd n GLN 56 Ca -0.04 0.05 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 3ixd n GLN 56 Cb 0.22 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.13 3ixd n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3ixd n GLN 57 N -1.45 0.39 -1.76 -1.09 3.00 -1.26 -4.03 117.38 111.18 3ixd n GLN 57 Ca 0.08 -0.27 -0.42 0.00 -0.01 0.00 0.00 57.00 56.37 3ixd n GLN 57 Cb 0.29 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 29.00 3ixd n GLN 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3ixd s THR 58 N -2.80 2.26 -0.06 5.09 2.01 -1.06 -4.84 115.64 116.24 3ixd s THR 58 Ca 0.15 0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.98 3ixd s THR 58 Cb 0.18 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 3ixd s THR 58 CO 0.68 0.00 0.79 -0.76 -0.69 0.00 0.00 174.62 174.65 3ixd s LEU 59 N 1.62 4.32 0.01 4.42 1.43 0.33 -4.14 118.68 126.66 3ixd s LEU 59 Ca 0.76 1.32 0.07 0.00 -1.03 0.00 0.00 54.13 55.25 3ixd s LEU 59 Cb -0.48 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3ixd s LEU 59 CO 0.33 -0.19 -0.21 -0.36 0.23 0.00 0.00 176.35 176.15 3ixd s PHE 60 N 1.01 2.47 0.10 0.29 0.40 0.22 -1.46 117.98 121.01 3ixd s PHE 60 Ca 0.42 -0.32 -0.31 0.00 -0.60 0.00 0.00 56.93 56.12 3ixd s PHE 60 Cb -0.18 -1.48 -0.09 0.00 0.51 0.00 0.00 43.02 41.78 3ixd s PHE 60 CO 0.20 0.15 1.60 -1.21 0.70 0.00 0.00 175.22 176.66 3ixd s GLU 61 N -1.10 4.21 0.00 0.44 2.02 -1.26 -0.78 118.70 122.24 3ixd s GLU 61 Ca 0.12 2.31 0.25 0.00 0.02 0.00 0.00 54.97 57.67 3ixd s GLU 61 Cb -0.10 -3.45 0.46 0.00 0.10 0.00 0.00 34.13 31.14 3ixd s GLU 61 CO 0.02 -0.67 1.38 1.28 0.02 0.00 0.00 175.26 177.29 3ixd n LEU 62 N 5.03 0.53 0.00 1.80 4.77 -0.52 -4.71 117.00 123.90 3ixd n LEU 62 Ca 0.15 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3ixd n LEU 62 Cb 0.40 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3ixd n LEU 62 CO 0.62 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3ixd n GLY 63 N 1.50 2.81 0.11 -0.72 0.00 -1.24 -1.60 105.19 106.05 3ixd n GLY 63 Ca 0.05 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3ixd n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ixd n SER 64 N 2.00 0.41 0.29 1.61 7.64 -1.26 -0.01 113.62 124.30 3ixd n SER 64 Ca 0.00 0.67 0.16 0.00 1.01 0.00 0.00 58.87 60.72 3ixd n SER 64 Cb 0.00 -0.73 0.89 0.00 -1.01 0.00 0.00 64.21 63.36 3ixd n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3ixd h VAL 65 N 0.00 0.34 -0.74 0.44 2.07 -1.34 0.22 116.25 117.24 3ixd h VAL 65 Ca 0.00 -0.28 0.19 0.00 0.82 0.00 0.00 66.70 67.43 3ixd h VAL 65 Cb 0.06 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3ixd h VAL 65 CO 0.00 0.05 0.52 0.28 0.02 0.00 0.00 177.57 178.43 3ixd h SER 66 N 0.00 0.14 -0.17 0.57 0.02 -0.60 -1.18 113.55 112.33 3ixd h SER 66 Ca -0.00 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3ixd h SER 66 Cb 0.20 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3ixd h SER 66 CO 0.01 0.06 0.16 0.11 -1.14 0.00 0.00 176.83 176.03 3ixd h LYS 67 N 0.14 0.00 -0.05 3.45 1.57 -1.07 -1.92 116.57 118.69 3ixd h LYS 67 Ca 0.36 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.97 3ixd h LYS 67 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3ixd h LYS 67 CO -0.05 0.00 -0.72 1.79 -0.57 0.00 0.00 179.45 179.90 3ixd h THR 68 N 0.00 1.41 0.14 -0.16 1.35 -1.39 0.14 112.91 114.40 3ixd h THR 68 Ca 0.08 -2.20 -0.01 0.00 -0.55 0.00 0.00 66.41 63.74 3ixd h THR 68 Cb 0.41 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 3ixd h THR 68 CO -0.00 0.65 -0.07 -0.26 -0.25 0.00 0.00 175.52 175.59 3ixd h PHE 69 N 0.19 -0.17 -0.59 4.73 0.04 -1.52 -1.09 116.94 118.53 3ixd h PHE 69 Ca -0.02 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.84 3ixd h PHE 69 Cb 1.27 0.06 -0.08 0.00 2.20 0.00 0.00 35.95 39.40 3ixd h PHE 69 CO 0.03 -0.00 0.17 1.15 -0.60 0.00 0.00 178.31 179.05 3ixd h THR 70 N -0.31 0.71 -0.54 -1.55 2.02 -1.26 -0.09 112.91 111.89 3ixd h THR 70 Ca -0.02 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.10 3ixd h THR 70 Cb 0.25 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 3ixd h THR 70 CO 0.03 0.06 0.27 1.23 0.37 0.00 0.00 175.52 177.48 3ixd h GLY 71 N 0.32 0.77 1.29 2.16 0.00 -0.51 -1.48 103.07 105.62 3ixd h GLY 71 Ca 0.30 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 3ixd h GLY 71 CO -0.35 0.11 -0.46 -2.08 0.00 0.00 0.00 176.54 173.76 3ixd h VAL 72 N 0.52 1.29 -0.74 4.60 2.07 -0.65 0.90 116.25 124.25 3ixd h VAL 72 Ca 0.24 -1.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 3ixd h VAL 72 Cb 0.16 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3ixd h VAL 72 CO -0.17 0.53 0.23 0.25 0.02 0.00 0.00 177.57 178.43 3ixd h LEU 73 N 0.61 1.08 -0.38 2.57 5.85 -0.71 0.13 115.31 124.46 3ixd h LEU 73 Ca 0.04 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 3ixd h LEU 73 Cb 1.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3ixd h LEU 73 CO 0.10 1.00 -0.09 1.23 -0.34 0.00 0.00 178.44 180.34 3ixd h GLY 74 N 1.11 0.79 0.51 3.75 0.00 -1.13 -1.68 103.07 106.43 3ixd h GLY 74 Ca 0.24 -0.65 0.11 0.00 0.00 0.00 0.00 47.33 47.03 3ixd h GLY 74 CO -0.01 0.60 0.60 -1.33 0.00 0.00 0.00 176.54 176.40 3ixd h GLY 75 N 0.53 1.55 1.03 4.60 0.00 -0.20 -1.01 103.07 109.58 3ixd h GLY 75 Ca 0.10 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 3ixd h GLY 75 CO 0.04 0.17 0.03 -1.80 0.00 0.00 0.00 176.54 174.98 3ixd h ASP 76 N 0.97 0.91 -0.91 0.19 3.58 -0.49 -1.39 116.42 119.27 3ixd h ASP 76 Ca 0.47 -0.29 0.05 0.00 0.42 0.00 0.00 57.03 57.67 3ixd h ASP 76 Cb 0.43 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 3ixd h ASP 76 CO -0.25 0.97 0.59 0.00 -2.88 0.00 0.00 179.24 177.67 3ixd h ALA 77 N 0.97 1.23 -0.39 -0.78 0.00 -0.69 0.69 119.26 120.29 3ixd h ALA 77 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ixd h ALA 77 Cb 0.49 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ixd h ALA 77 CO 0.02 0.41 0.15 0.82 0.00 0.00 0.00 179.25 180.65 3ixd h ILE 78 N 1.11 1.20 0.00 0.00 2.04 -0.82 -1.44 117.51 119.61 3ixd h ILE 78 Ca 0.38 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 3ixd h ILE 78 Cb 0.07 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3ixd h ILE 78 CO -0.14 0.22 -0.25 0.00 0.00 0.00 0.00 178.15 177.98 3ixd h ALA 79 N 0.99 1.19 0.00 1.87 0.00 -0.47 0.14 119.26 122.98 3ixd h ALA 79 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ixd h ALA 79 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ixd h ALA 79 CO -0.01 0.31 0.00 0.54 0.00 0.00 0.00 179.25 180.09 3ixd n ARG 80 N -3.66 0.27 -0.86 0.00 1.74 0.16 -4.93 116.66 109.39 3ixd n ARG 80 Ca -0.01 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3ixd n ARG 80 Cb 0.37 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3ixd n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ixd n GLY 81 N 1.17 0.55 0.12 -0.13 0.00 0.49 -4.95 105.19 102.45 3ixd n GLY 81 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 3ixd n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ixd h GLU 82 N 1.18 0.10 -3.56 1.61 5.08 -1.47 -3.46 114.58 114.05 3ixd h GLU 82 Ca 0.00 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 3ixd h GLU 82 Cb 0.00 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 29.09 3ixd h GLU 82 CO 0.00 0.82 -0.44 0.96 -1.00 0.00 0.00 179.01 179.35 3ixd s ILE 83 N -3.33 0.10 -0.02 3.13 -4.36 -1.23 -4.90 121.20 110.59 3ixd s ILE 83 Ca -0.02 -0.84 0.07 0.00 -0.26 0.00 0.00 60.65 59.60 3ixd s ILE 83 Cb 0.11 -0.74 -0.02 0.00 1.25 0.00 0.00 42.46 43.07 3ixd s ILE 83 CO 0.80 -0.46 -0.24 -0.54 0.24 0.00 0.00 174.94 174.74 3ixd s LYS 84 N -2.13 1.98 0.47 0.37 1.02 -1.26 -4.19 119.74 116.00 3ixd s LYS 84 Ca -0.09 -0.85 0.18 0.00 0.02 0.00 0.00 55.97 55.24 3ixd s LYS 84 Cb -0.03 -1.89 1.17 0.00 -0.52 0.00 0.00 37.83 36.56 3ixd s LYS 84 CO -0.02 0.49 1.98 -0.07 -0.92 0.00 0.00 175.35 176.81 3ixd h LEU 85 N 5.61 0.23 0.00 3.17 3.38 -1.99 0.47 115.31 126.19 3ixd h LEU 85 Ca -0.40 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3ixd h LEU 85 Cb 1.13 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ixd h LEU 85 CO 0.47 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 3ixd n SER 86 N -4.44 0.00 -4.75 -0.43 3.41 -1.26 -0.23 113.62 105.91 3ixd n SER 86 Ca 0.10 -1.12 -0.41 0.00 -0.26 0.00 0.00 58.87 57.19 3ixd n SER 86 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3ixd n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3ixd s ASP 87 N -1.65 6.98 0.37 4.04 1.01 0.16 -4.79 116.67 122.79 3ixd s ASP 87 Ca 0.20 2.43 -0.27 0.00 0.71 0.00 0.00 52.55 55.62 3ixd s ASP 87 Cb 0.09 -2.63 -0.11 0.00 1.01 0.00 0.00 42.92 41.28 3ixd s ASP 87 CO 0.16 -0.41 1.27 -2.65 0.21 0.00 0.00 175.17 173.75 3ixd n PRO 88 N 1.69 2.03 -0.34 8.23 -0.02 -1.26 -1.51 135.00 143.82 3ixd n PRO 88 Ca 0.02 0.71 0.20 0.00 -2.02 0.00 0.00 63.50 62.42 3ixd n PRO 88 Cb 0.43 -2.33 0.44 0.00 -0.02 0.00 0.00 33.50 32.02 3ixd n PRO 88 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3ixd h THR 89 N 2.36 0.50 0.00 3.45 2.02 -1.47 -2.48 112.91 117.30 3ixd h THR 89 Ca -0.46 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3ixd h THR 89 Cb 1.29 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3ixd h THR 89 CO 0.61 0.09 0.00 0.35 0.37 0.00 0.00 175.52 176.94 3ixd n THR 90 N -4.81 0.78 -0.18 3.16 -2.24 -1.26 -2.52 114.28 107.21 3ixd n THR 90 Ca 0.27 0.13 0.01 0.00 -2.27 0.00 0.00 64.05 62.19 3ixd n THR 90 Cb 0.82 -1.04 0.28 0.00 -2.10 0.00 0.00 70.33 68.29 3ixd n THR 90 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3ixd h LYS 91 N 0.00 0.90 0.00 -0.78 3.64 -1.81 -2.62 116.57 115.91 3ixd h LYS 91 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3ixd h LYS 91 Cb 0.43 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3ixd h LYS 91 CO 0.00 0.60 -0.86 0.66 -2.27 0.00 0.00 179.45 177.58 3ixd n TYR 92 N -4.43 0.00 -3.40 1.91 4.02 -1.05 -4.62 117.16 109.60 3ixd n TYR 92 Ca 0.07 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.70 3ixd n TYR 92 Cb 0.04 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.24 3ixd n TYR 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 3ixd n TRP 93 N -1.44 0.22 0.25 -0.72 -0.00 -1.06 -4.98 117.44 109.72 3ixd n TRP 93 Ca 0.03 -3.60 0.14 0.00 -0.00 0.00 0.00 57.50 54.07 3ixd n TRP 93 Cb 0.28 -0.12 0.56 0.00 -0.00 0.00 0.00 31.31 32.02 3ixd n TRP 93 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3ixd h PRO 94 N 4.95 0.00 0.00 5.87 0.11 -1.73 -0.61 132.00 140.59 3ixd h PRO 94 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3ixd h PRO 94 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3ixd h PRO 94 CO 0.49 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 3ixd n GLU 95 N -3.23 0.07 -2.45 1.05 4.71 -1.26 -4.20 120.64 115.32 3ixd n GLU 95 Ca 0.01 0.27 -0.43 0.00 -0.01 0.00 0.00 57.16 57.00 3ixd n GLU 95 Cb 0.37 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.30 3ixd n GLU 95 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3ixd n LEU 96 N -1.39 5.53 0.11 -4.62 7.94 -0.24 -4.76 117.00 119.57 3ixd n LEU 96 Ca 0.03 -4.12 0.12 0.00 -1.11 0.00 0.00 56.01 50.92 3ixd n LEU 96 Cb 0.08 -1.69 0.01 0.00 0.53 0.00 0.00 43.42 42.36 3ixd n LEU 96 CO 0.07 0.55 0.06 0.71 -1.11 0.00 0.00 177.39 177.68 3ixd h THR 97 N 4.93 0.00 -2.51 1.96 1.35 -1.86 -3.47 112.91 113.31 3ixd h THR 97 Ca 0.45 -0.99 -0.60 0.00 -0.55 0.00 0.00 66.41 64.72 3ixd h THR 97 Cb 0.80 1.51 0.11 0.00 -1.73 0.00 0.00 68.15 68.84 3ixd h THR 97 CO 1.52 0.00 0.16 0.00 -0.25 0.00 0.00 175.52 176.95 3ixd n ALA 98 N -2.17 -0.15 0.55 6.62 0.00 -1.26 -4.81 120.51 119.30 3ixd n ALA 98 Ca 0.00 0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.91 3ixd n ALA 98 Cb 0.55 -2.03 0.34 0.00 0.00 0.00 0.00 19.45 18.30 3ixd n ALA 98 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3ixd n LYS 99 N 0.74 0.02 0.19 0.00 2.85 -1.26 -2.96 118.16 117.75 3ixd n LYS 99 Ca 0.09 0.22 0.05 0.00 -1.05 0.00 0.00 58.31 57.63 3ixd n LYS 99 Cb 0.32 -1.50 0.38 0.00 -0.65 0.00 0.00 35.03 33.58 3ixd n LYS 99 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 3ixd h GLN 100 N 0.00 0.00 0.00 -1.58 4.20 -1.94 -2.98 115.11 112.81 3ixd h GLN 100 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ixd h GLN 100 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3ixd h GLN 100 CO 0.00 0.36 0.00 0.91 -0.67 0.00 0.00 178.83 179.43 3ixd n TRP 101 N -3.68 0.16 -1.68 2.96 7.02 -1.15 -4.72 117.44 116.35 3ixd n TRP 101 Ca -0.01 0.05 -0.42 0.00 -1.02 0.00 0.00 57.50 56.10 3ixd n TRP 101 Cb 0.46 -0.58 -0.03 0.00 -2.42 0.00 0.00 31.31 28.74 3ixd n TRP 101 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3ixd n ASN 102 N -1.64 4.10 0.00 -0.99 4.13 -1.13 -1.41 115.26 118.33 3ixd n ASN 102 Ca 0.06 0.95 0.00 0.00 1.68 0.00 0.00 54.58 57.27 3ixd n ASN 102 Cb 0.30 -1.54 0.00 0.00 -1.54 0.00 0.00 39.78 37.01 3ixd n ASN 102 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ixd n GLY 103 N 4.37 1.23 3.55 7.41 0.00 -1.26 -5.02 105.19 115.48 3ixd n GLY 103 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3ixd n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixd s ILE 104 N -2.45 4.54 0.46 -0.61 1.01 -0.50 -4.96 121.20 118.69 3ixd s ILE 104 Ca 0.00 0.58 0.08 0.00 0.00 0.00 0.00 60.65 61.31 3ixd s ILE 104 Cb 0.00 -4.39 0.03 0.00 0.01 0.00 0.00 42.46 38.10 3ixd s ILE 104 CO 0.00 -0.81 0.63 0.42 0.00 0.00 0.00 174.94 175.18 3ixd s THR 105 N 3.57 2.80 0.44 2.92 -4.23 -1.26 -1.31 115.64 118.57 3ixd s THR 105 Ca 0.34 -0.98 0.19 0.00 -1.18 0.00 0.00 61.69 60.05 3ixd s THR 105 Cb -0.11 -2.82 0.22 0.00 1.34 0.00 0.00 72.50 71.13 3ixd s THR 105 CO 0.24 0.00 2.02 -0.07 -0.54 0.00 0.00 174.62 176.27 3ixd h LEU 106 N 0.51 0.00 -0.82 4.79 3.38 -0.76 -0.97 115.31 121.44 3ixd h LEU 106 Ca -0.38 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 3ixd h LEU 106 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 3ixd h LEU 106 CO 0.44 0.17 -0.14 0.25 0.09 0.00 0.00 178.44 179.26 3ixd h LEU 107 N 0.00 0.73 -0.33 1.67 5.85 -0.88 -0.74 115.31 121.62 3ixd h LEU 107 Ca -0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 3ixd h LEU 107 Cb 0.34 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3ixd h LEU 107 CO 0.02 0.89 0.02 0.45 -0.34 0.00 0.00 178.44 179.47 3ixd h HIS 108 N 0.67 0.61 -0.47 1.25 3.86 -1.48 -2.01 115.15 117.58 3ixd h HIS 108 Ca 0.11 -0.10 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3ixd h HIS 108 Cb 0.61 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 3ixd h HIS 108 CO 0.03 0.67 0.25 -0.07 0.86 0.00 0.00 177.93 179.67 3ixd h LEU 109 N 0.38 0.36 -1.19 2.43 3.38 -1.19 -0.72 115.31 118.76 3ixd h LEU 109 Ca 0.09 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3ixd h LEU 109 Cb 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ixd h LEU 109 CO 0.01 0.26 -0.34 0.00 0.09 0.00 0.00 178.44 178.45 3ixd h ALA 110 N 1.25 1.33 -0.42 1.53 0.00 -0.97 -2.88 119.26 119.09 3ixd h ALA 110 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ixd h ALA 110 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ixd h ALA 110 CO -0.13 0.48 0.00 0.25 0.00 0.00 0.00 179.25 179.85 3ixd n THR 111 N -4.10 0.96 -2.44 0.00 -2.24 -0.77 -4.62 114.28 101.07 3ixd n THR 111 Ca -0.02 -0.98 -0.16 0.00 -2.27 0.00 0.00 64.05 60.62 3ixd n THR 111 Cb 0.40 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3ixd n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3ixd n TYR 112 N 0.77 -0.94 -1.58 4.78 4.01 -0.76 -4.75 117.16 118.69 3ixd n TYR 112 Ca 0.14 0.10 0.02 0.00 -0.16 0.00 0.00 57.90 58.01 3ixd n TYR 112 Cb 0.47 -3.35 0.20 0.00 -0.31 0.00 0.00 39.34 36.35 3ixd n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3ixd n THR 113 N -4.06 2.32 0.63 -0.72 -2.24 -0.35 -0.86 114.28 108.99 3ixd n THR 113 Ca -0.16 -3.17 0.10 0.00 -2.27 0.00 0.00 64.05 58.54 3ixd n THR 113 Cb 0.63 -0.30 0.41 0.00 -2.10 0.00 0.00 70.33 68.97 3ixd n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ixd n ALA 114 N -1.11 1.87 0.00 6.98 0.00 -1.22 -1.65 120.51 125.38 3ixd n ALA 114 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3ixd n ALA 114 Cb 0.79 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3ixd n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ixd n GLY 115 N 0.46 1.28 1.05 0.00 0.00 -1.26 -3.98 105.19 102.73 3ixd n GLY 115 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 3ixd n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixd n GLY 116 N -0.12 0.44 3.76 -0.02 0.00 -1.26 -1.49 105.19 106.50 3ixd n GLY 116 Ca 0.00 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 3ixd n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixd s LEU 117 N -2.05 3.74 0.54 0.99 1.43 -1.26 -4.64 118.68 117.44 3ixd s LEU 117 Ca 0.00 2.39 -0.18 0.00 -1.03 0.00 0.00 54.13 55.31 3ixd s LEU 117 Cb -0.00 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.64 3ixd s LEU 117 CO 0.01 -1.45 1.07 -2.16 0.23 0.00 0.00 176.35 174.05 3ixd s PRO 118 N -3.20 3.47 0.23 1.29 0.04 -1.26 -4.80 135.00 130.77 3ixd s PRO 118 Ca 0.75 1.38 -0.07 0.00 0.04 0.00 0.00 61.00 63.10 3ixd s PRO 118 Cb -0.30 -2.04 0.30 0.00 0.04 0.00 0.00 34.50 32.49 3ixd s PRO 118 CO 0.34 -0.71 1.83 1.25 0.04 0.00 0.00 177.00 179.75 3ixd h LEU 119 N 1.02 0.71 -9.18 -3.56 5.85 -1.93 -3.25 115.31 104.97 3ixd h LEU 119 Ca -0.49 0.02 -0.66 0.00 0.84 0.00 0.00 57.88 57.59 3ixd h LEU 119 Cb 1.23 -0.12 -0.17 0.00 0.37 0.00 0.00 40.66 41.97 3ixd h LEU 119 CO 0.58 0.45 -0.77 -1.10 -0.34 0.00 0.00 178.44 177.25 3ixd s GLN 120 N -6.07 1.91 -0.02 1.25 -1.52 -1.26 -1.10 119.66 112.84 3ixd s GLN 120 Ca -0.13 -1.17 -0.30 0.00 -1.95 0.00 0.00 55.36 51.81 3ixd s GLN 120 Cb 0.17 -2.16 -0.04 0.00 -0.22 0.00 0.00 33.01 30.76 3ixd s GLN 120 CO 0.78 0.47 1.25 0.08 -0.25 0.00 0.00 175.29 177.62 3ixd s VAL 121 N -1.29 4.06 0.33 1.09 1.01 -1.26 -4.79 120.40 119.55 3ixd s VAL 121 Ca 0.20 1.42 -0.27 0.00 0.00 0.00 0.00 61.98 63.34 3ixd s VAL 121 Cb -0.10 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 32.23 3ixd s VAL 121 CO 0.12 0.02 0.95 -2.65 0.00 0.00 0.00 175.10 173.54 3ixd n PRO 122 N 4.98 1.24 0.22 2.72 -0.02 -1.26 -4.84 135.00 138.04 3ixd n PRO 122 Ca 0.11 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 62.18 3ixd n PRO 122 Cb 0.45 -1.84 0.79 0.00 -0.02 0.00 0.00 33.50 32.88 3ixd n PRO 122 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3ixd h ASP 123 N 1.73 0.00 0.11 2.55 1.82 -2.02 -2.24 116.42 118.38 3ixd h ASP 123 Ca -0.40 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.21 3ixd h ASP 123 Cb 1.35 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.35 3ixd h ASP 123 CO 0.59 0.00 -0.11 1.05 -1.61 0.00 0.00 179.24 179.16 3ixd h GLU 124 N 0.00 0.00 -6.36 0.28 9.09 -2.03 -3.42 114.58 112.14 3ixd h GLU 124 Ca 0.06 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.91 3ixd h GLU 124 Cb 0.31 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.37 3ixd h GLU 124 CO -0.00 0.11 1.07 0.08 0.05 0.00 0.00 179.01 180.32 3ixd s VAL 125 N -4.79 3.88 0.00 -1.06 1.01 -0.84 -4.81 120.40 113.78 3ixd s VAL 125 Ca -0.04 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3ixd s VAL 125 Cb 0.16 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3ixd s VAL 125 CO 0.68 -0.46 0.06 0.29 0.00 0.00 0.00 175.10 175.66 3ixd n LYS 126 N 7.68 1.18 -4.40 2.72 5.02 -1.26 -4.34 118.16 124.76 3ixd n LYS 126 Ca 0.17 -0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.21 3ixd n LYS 126 Cb 0.46 -0.34 -0.10 0.00 -0.02 0.00 0.00 35.03 35.03 3ixd n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ixd s SER 127 N -0.18 2.25 0.37 4.39 1.04 -1.26 -5.02 113.70 115.29 3ixd s SER 127 Ca 0.00 -1.28 0.17 0.00 0.48 0.00 0.00 55.95 55.32 3ixd s SER 127 Cb 0.00 -0.07 0.72 0.00 0.10 0.00 0.00 66.02 66.77 3ixd s SER 127 CO 0.00 -0.52 1.76 0.77 0.98 0.00 0.00 173.24 176.23 3ixd h SER 128 N 2.27 0.00 0.21 7.02 4.64 -1.99 -2.40 113.55 123.31 3ixd h SER 128 Ca -0.40 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.73 3ixd h SER 128 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3ixd h SER 128 CO 0.67 0.38 -0.75 0.77 -0.87 0.00 0.00 176.83 177.03 3ixd h SER 129 N 0.00 0.55 -0.81 4.97 4.64 -1.99 -1.87 113.55 119.04 3ixd h SER 129 Ca -0.00 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3ixd h SER 129 Cb 0.83 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 3ixd h SER 129 CO 0.05 1.12 0.49 0.44 -0.87 0.00 0.00 176.83 178.06 3ixd h ASP 130 N 0.31 0.97 -0.31 4.97 3.32 -1.92 0.75 116.42 124.51 3ixd h ASP 130 Ca -0.04 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 3ixd h ASP 130 Cb 1.34 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 3ixd h ASP 130 CO 0.13 0.75 -0.30 0.25 -1.72 0.00 0.00 179.24 178.34 3ixd h LEU 131 N 1.12 0.81 -0.06 1.55 6.46 -1.31 0.53 115.31 124.41 3ixd h LEU 131 Ca 0.29 -0.47 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 3ixd h LEU 131 Cb -0.05 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 39.65 3ixd h LEU 131 CO -0.06 1.11 0.00 0.25 -0.62 0.00 0.00 178.44 179.13 3ixd h LEU 132 N 0.52 0.10 -0.58 2.25 5.85 -1.07 -2.01 115.31 120.37 3ixd h LEU 132 Ca 0.05 -0.29 0.12 0.00 0.84 0.00 0.00 57.88 58.60 3ixd h LEU 132 Cb 0.88 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.78 3ixd h LEU 132 CO 0.08 0.37 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.37 3ixd h ARG 133 N -0.17 0.04 -0.11 1.25 9.65 -0.65 0.22 114.38 124.61 3ixd h ARG 133 Ca 0.02 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 3ixd h ARG 133 Cb 0.31 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 3ixd h ARG 133 CO 0.00 0.03 -0.09 0.35 2.80 0.00 0.00 179.97 183.06 3ixd h PHE 134 N 0.04 -0.23 -0.03 2.20 3.57 -0.67 0.34 116.94 122.15 3ixd h PHE 134 Ca 0.29 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.65 3ixd h PHE 134 Cb 0.45 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3ixd h PHE 134 CO -0.43 -0.15 -0.67 1.88 -2.23 0.00 0.00 178.31 176.72 3ixd h TYR 135 N -0.11 0.19 -0.17 0.41 0.05 -0.62 -1.69 116.97 115.02 3ixd h TYR 135 Ca 0.08 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ixd h TYR 135 Cb 0.22 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3ixd h TYR 135 CO -0.21 0.77 0.11 1.96 -1.05 0.00 0.00 178.16 179.73 3ixd h GLN 136 N 0.10 0.23 0.00 4.88 1.08 -0.05 -3.26 115.11 118.08 3ixd h GLN 136 Ca -0.01 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 3ixd h GLN 136 Cb 1.20 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 3ixd h GLN 136 CO 0.10 0.19 -0.50 -0.91 -0.95 0.00 0.00 178.83 176.75 3ixd h ASN 137 N 0.21 0.00 -2.10 1.46 -0.26 -0.91 -3.45 115.58 110.54 3ixd h ASN 137 Ca 0.06 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 55.18 3ixd h ASN 137 Cb 0.01 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 37.33 3ixd h ASN 137 CO -0.01 0.35 0.60 1.87 -1.06 0.00 0.00 177.43 179.18 3ixd n TRP 138 N -3.13 1.89 -3.97 1.19 -0.00 -0.64 -4.95 117.44 107.84 3ixd n TRP 138 Ca 0.01 0.46 -0.35 0.00 -0.00 0.00 0.00 57.50 57.62 3ixd n TRP 138 Cb 0.68 -2.43 -0.14 0.00 -0.00 0.00 0.00 31.31 29.43 3ixd n TRP 138 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 3ixd s GLN 139 N 0.42 3.46 1.05 5.87 -1.52 -1.26 -5.01 119.66 122.66 3ixd s GLN 139 Ca 0.78 -0.59 -0.18 0.00 -1.95 0.00 0.00 55.36 53.42 3ixd s GLN 139 Cb -0.79 -3.04 0.01 0.00 -0.22 0.00 0.00 33.01 28.98 3ixd s GLN 139 CO 0.44 -0.13 -0.23 -2.30 -0.25 0.00 0.00 175.29 172.82 3ixd n PRO 140 N 4.64 -0.85 0.00 2.91 -0.02 -1.26 -4.97 135.00 135.45 3ixd n PRO 140 Ca -0.18 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 3ixd n PRO 140 Cb 0.51 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 3ixd n PRO 140 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ixd n ALA 141 N -3.87 1.59 -3.87 3.55 0.00 -0.56 -5.05 120.51 112.31 3ixd n ALA 141 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 3ixd n ALA 141 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 3ixd n ALA 141 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 3ixd n TRP 142 N -1.19 -1.39 -2.67 0.00 2.14 -1.22 -5.04 117.44 108.08 3ixd n TRP 142 Ca 0.00 -1.97 -0.39 0.00 2.07 0.00 0.00 57.50 57.21 3ixd n TRP 142 Cb 0.00 0.50 -0.05 0.00 -0.81 0.00 0.00 31.31 30.95 3ixd n TRP 142 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3ixd s ALA 143 N -2.54 3.30 0.22 -1.67 0.00 -1.26 -4.48 121.76 115.33 3ixd s ALA 143 Ca 0.24 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 3ixd s ALA 143 Cb -0.01 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.71 3ixd s ALA 143 CO 0.17 0.07 0.66 -2.30 0.00 0.00 0.00 175.76 174.36 3ixd n PRO 144 N 1.02 0.37 -0.90 0.00 -0.01 -1.26 -3.23 135.00 131.00 3ixd n PRO 144 Ca -0.00 0.13 0.00 0.00 -0.01 0.00 0.00 63.50 63.62 3ixd n PRO 144 Cb 0.47 -1.24 0.00 0.00 -0.01 0.00 0.00 33.50 32.73 3ixd n PRO 144 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3ixd n GLY 145 N 1.78 0.55 0.03 -1.23 0.00 -0.66 -4.92 105.19 100.74 3ixd n GLY 145 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 3ixd n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ixd n THR 146 N -2.90 0.34 -3.72 2.61 -2.24 -1.20 -4.81 114.28 102.37 3ixd n THR 146 Ca 0.00 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 3ixd n THR 146 Cb 0.00 -0.78 -0.13 0.00 -2.10 0.00 0.00 70.33 67.32 3ixd n THR 146 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3ixd s GLN 147 N -2.12 0.24 0.18 -0.78 0.74 -1.26 -4.77 119.66 111.89 3ixd s GLN 147 Ca -0.06 0.61 -0.30 0.00 0.05 0.00 0.00 55.36 55.66 3ixd s GLN 147 Cb 0.02 -0.09 -0.08 0.00 1.10 0.00 0.00 33.01 33.96 3ixd s GLN 147 CO 0.16 -0.17 1.09 0.50 -0.55 0.00 0.00 175.29 176.32 3ixd s ARG 148 N 1.39 4.61 -0.21 1.67 3.52 -1.26 -4.48 118.95 124.18 3ixd s ARG 148 Ca -0.09 1.70 -0.05 0.00 -0.13 0.00 0.00 55.73 57.17 3ixd s ARG 148 Cb -0.10 -3.28 0.07 0.00 -1.56 0.00 0.00 34.95 30.08 3ixd s ARG 148 CO -0.10 0.10 0.11 -1.17 -0.81 0.00 0.00 175.30 173.43 3ixd s LEU 149 N -0.41 0.41 0.08 -0.88 2.96 -0.04 -5.00 118.68 115.79 3ixd s LEU 149 Ca 0.49 -0.84 -0.36 0.00 -0.22 0.00 0.00 54.13 53.19 3ixd s LEU 149 Cb -0.29 -0.27 -0.18 0.00 0.50 0.00 0.00 46.19 45.95 3ixd s LEU 149 CO 0.35 -0.38 1.11 0.00 -1.32 0.00 0.00 176.35 176.10 3ixd n TYR 150 N 5.27 0.90 -3.59 5.38 9.36 -1.26 -4.76 117.16 128.46 3ixd n TYR 150 Ca -0.07 0.85 -0.02 0.00 3.32 0.00 0.00 57.90 61.99 3ixd n TYR 150 Cb 0.47 -2.18 -0.05 0.00 -0.63 0.00 0.00 39.34 36.94 3ixd n TYR 150 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ixd s ALA 151 N -0.02 -2.20 0.42 2.98 0.00 -1.26 -4.57 121.76 117.12 3ixd s ALA 151 Ca 0.83 2.28 0.11 0.00 0.00 0.00 0.00 51.96 55.17 3ixd s ALA 151 Cb -1.06 -1.74 0.90 0.00 0.00 0.00 0.00 23.12 21.22 3ixd s ALA 151 CO 0.53 -0.69 1.98 -0.91 0.00 0.00 0.00 175.76 176.67 3ixd h ASN 152 N 7.28 0.18 0.79 0.00 2.35 -1.28 -1.99 115.58 122.91 3ixd h ASN 152 Ca -0.22 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3ixd h ASN 152 Cb 1.15 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.48 3ixd h ASN 152 CO 0.13 0.29 0.00 -1.54 -1.65 0.00 0.00 177.43 174.66 3ixd n SER 153 N -4.34 0.19 -0.03 5.81 3.41 -1.23 -0.69 113.62 116.73 3ixd n SER 153 Ca -0.01 0.53 -0.02 0.00 -0.26 0.00 0.00 58.87 59.11 3ixd n SER 153 Cb 0.21 -0.58 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 3ixd n SER 153 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3ixd n SER 154 N -1.69 0.80 -0.15 4.04 2.88 -0.76 -3.60 113.62 115.13 3ixd n SER 154 Ca 0.05 0.36 0.06 0.00 -1.33 0.00 0.00 58.87 58.01 3ixd n SER 154 Cb 0.26 -0.65 0.37 0.00 -0.75 0.00 0.00 64.21 63.44 3ixd n SER 154 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 3ixd h ILE 155 N -0.43 1.03 -0.27 2.46 6.09 -1.35 -1.59 117.51 123.44 3ixd h ILE 155 Ca 0.00 -0.24 -0.03 0.00 -1.37 0.00 0.00 64.86 63.22 3ixd h ILE 155 Cb 0.27 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 37.80 3ixd h ILE 155 CO 0.00 0.13 0.07 1.23 -3.07 0.00 0.00 178.15 176.51 3ixd h GLY 156 N 0.71 0.47 1.12 8.18 0.00 -1.13 -0.68 103.07 111.74 3ixd h GLY 156 Ca 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3ixd h GLY 156 CO -0.09 0.27 0.42 -2.00 0.00 0.00 0.00 176.54 175.14 3ixd h LEU 157 N 0.27 1.03 -0.48 3.11 5.85 -1.52 -2.37 115.31 121.20 3ixd h LEU 157 Ca 0.09 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3ixd h LEU 157 Cb 0.28 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3ixd h LEU 157 CO 0.00 0.84 0.21 0.15 -0.34 0.00 0.00 178.44 179.31 3ixd h PHE 158 N 1.14 0.38 -0.78 1.25 3.57 -0.73 -0.66 116.94 121.12 3ixd h PHE 158 Ca 0.28 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.85 3ixd h PHE 158 Cb 0.06 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3ixd h PHE 158 CO 0.01 0.17 0.48 0.78 -2.23 0.00 0.00 178.31 177.52 3ixd h GLY 159 N 0.42 1.15 1.60 2.40 0.00 -0.79 0.10 103.07 107.95 3ixd h GLY 159 Ca 0.22 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 3ixd h GLY 159 CO -0.19 0.27 -0.54 0.00 0.00 0.00 0.00 176.54 176.08 3ixd h ALA 160 N 1.36 0.80 0.15 3.60 0.00 -0.83 -3.07 119.26 121.26 3ixd h ALA 160 Ca 0.33 -0.51 -0.30 0.00 0.00 0.00 0.00 54.91 54.43 3ixd h ALA 160 Cb 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ixd h ALA 160 CO -0.14 0.69 -1.42 -0.07 0.00 0.00 0.00 179.25 178.31 3ixd h LEU 161 N 0.33 0.48 -2.23 0.00 3.38 -0.84 -3.33 115.31 113.10 3ixd h LEU 161 Ca 0.01 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3ixd h LEU 161 Cb 1.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3ixd h LEU 161 CO 0.09 1.46 0.06 0.00 0.09 0.00 0.00 178.44 180.15 3ixd h ALA 162 N 0.46 1.05 -0.00 1.53 0.00 -0.70 -1.69 119.26 119.91 3ixd h ALA 162 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ixd h ALA 162 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3ixd h ALA 162 CO 0.20 -0.05 -0.66 1.33 0.00 0.00 0.00 179.25 180.06 3ixd n VAL 163 N -2.72 0.00 -0.09 0.00 0.24 -1.22 -4.52 118.33 110.02 3ixd n VAL 163 Ca -0.02 -0.17 -0.06 0.00 -2.04 0.00 0.00 64.34 62.05 3ixd n VAL 163 Cb 0.11 1.08 -0.00 0.00 -1.47 0.00 0.00 33.84 33.56 3ixd n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3ixd h LYS 164 N 0.76 -0.15 -0.47 7.34 1.79 -1.44 -1.25 116.57 123.15 3ixd h LYS 164 Ca 0.00 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.62 3ixd h LYS 164 Cb 0.49 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 3ixd h LYS 164 CO 0.00 -0.10 0.42 -1.35 -1.08 0.00 0.00 179.45 177.34 3ixd h PRO 165 N -0.15 0.00 0.00 3.15 0.11 -1.79 0.13 132.00 133.44 3ixd h PRO 165 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3ixd h PRO 165 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3ixd h PRO 165 CO -0.43 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.02 3ixd h SER 166 N 0.00 0.00 0.00 -2.05 4.64 -1.53 -3.46 113.55 111.15 3ixd h SER 166 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3ixd h SER 166 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ixd h SER 166 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3ixd n GLY 167 N 0.55 2.42 3.82 -0.77 0.00 0.45 -5.01 105.19 106.65 3ixd n GLY 167 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3ixd n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixd s LEU 168 N 0.00 3.71 0.76 0.99 1.43 -1.26 -5.05 118.68 119.26 3ixd s LEU 168 Ca 0.00 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 3ixd s LEU 168 Cb 0.00 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.75 3ixd s LEU 168 CO 0.00 -0.65 1.12 -0.94 0.23 0.00 0.00 176.35 176.11 3ixd s SER 169 N -2.67 4.35 0.27 2.29 1.04 -1.26 -4.73 113.70 112.99 3ixd s SER 169 Ca 0.61 1.99 -0.00 0.00 0.48 0.00 0.00 55.95 59.03 3ixd s SER 169 Cb -0.11 -2.54 0.54 0.00 0.10 0.00 0.00 66.02 64.00 3ixd s SER 169 CO 0.26 -2.15 1.78 0.15 0.98 0.00 0.00 173.24 174.26 3ixd h PHE 170 N -0.87 0.85 -0.51 5.02 3.57 -1.93 0.12 116.94 123.20 3ixd h PHE 170 Ca -0.45 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.04 3ixd h PHE 170 Cb 1.25 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3ixd h PHE 170 CO 0.54 0.24 0.13 1.49 -2.23 0.00 0.00 178.31 178.49 3ixd h GLU 171 N 0.70 0.81 -0.54 1.11 4.81 -1.99 -1.29 114.58 118.19 3ixd h GLU 171 Ca 0.47 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 3ixd h GLU 171 Cb 0.63 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3ixd h GLU 171 CO -0.34 0.77 0.05 1.96 -0.73 0.00 0.00 179.01 180.73 3ixd h GLN 172 N 0.71 0.92 -0.64 1.92 1.08 -1.70 0.11 115.11 117.50 3ixd h GLN 172 Ca 0.16 -0.27 -0.09 0.00 -1.45 0.00 0.00 58.65 57.01 3ixd h GLN 172 Cb 0.32 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3ixd h GLN 172 CO 0.00 0.91 0.07 0.00 -0.95 0.00 0.00 178.83 178.86 3ixd h ALA 173 N 0.98 0.86 -0.39 3.87 0.00 -0.90 -0.19 119.26 123.49 3ixd h ALA 173 Ca 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3ixd h ALA 173 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3ixd h ALA 173 CO 0.02 0.66 0.09 1.98 0.00 0.00 0.00 179.25 182.00 3ixd h MET 174 N 1.01 0.62 -0.13 0.00 1.85 -0.98 -0.59 114.93 116.71 3ixd h MET 174 Ca 0.19 -0.15 -0.00 0.00 -0.61 0.00 0.00 59.70 59.13 3ixd h MET 174 Cb 0.49 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.43 3ixd h MET 174 CO 0.02 0.65 0.07 0.37 -0.40 0.00 0.00 176.91 177.63 3ixd h GLN 175 N 0.48 0.18 0.00 0.39 5.75 -0.55 -0.34 115.11 121.02 3ixd h GLN 175 Ca 0.12 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3ixd h GLN 175 Cb 0.31 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3ixd h GLN 175 CO 0.00 0.18 -1.01 0.25 -2.65 0.00 0.00 178.83 175.60 3ixd n THR 176 N -4.96 0.33 -0.02 2.39 -2.24 -0.10 -1.00 114.28 108.68 3ixd n THR 176 Ca -0.05 -0.36 0.07 0.00 -2.27 0.00 0.00 64.05 61.44 3ixd n THR 176 Cb 0.06 -0.05 -0.15 0.00 -2.10 0.00 0.00 70.33 68.09 3ixd n THR 176 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ixd n ARG 177 N -2.24 0.66 0.05 -0.78 1.74 -0.23 -4.50 116.66 111.37 3ixd n ARG 177 Ca 0.01 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3ixd n ARG 177 Cb 0.48 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3ixd n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ixd n VAL 178 N -2.27 0.95 0.16 1.55 0.31 -0.83 -4.71 118.33 113.49 3ixd n VAL 178 Ca -0.08 0.31 -0.14 0.00 -0.01 0.00 0.00 64.34 64.43 3ixd n VAL 178 Cb 0.61 -1.39 -0.07 0.00 -0.91 0.00 0.00 33.84 32.08 3ixd n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3ixd h PHE 179 N 0.00 -0.46 0.22 3.52 0.04 -1.05 -2.64 116.94 116.56 3ixd h PHE 179 Ca 0.00 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3ixd h PHE 179 Cb 0.00 0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3ixd h PHE 179 CO 0.00 -0.27 -0.10 1.96 -0.60 0.00 0.00 178.31 179.30 3ixd h GLN 180 N -0.41 -0.28 -0.84 1.51 4.20 -1.31 -0.69 115.11 117.28 3ixd h GLN 180 Ca -0.01 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.81 3ixd h GLN 180 Cb 0.36 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.15 3ixd h GLN 180 CO -0.01 -0.07 0.55 -1.35 -0.67 0.00 0.00 178.83 177.27 3ixd h PRO 181 N -0.44 0.80 -0.00 1.46 0.11 -1.78 0.14 132.00 132.28 3ixd h PRO 181 Ca -0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3ixd h PRO 181 Cb 0.34 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3ixd h PRO 181 CO 0.05 0.53 -0.01 1.28 -0.21 0.00 0.00 178.00 179.63 3ixd n LEU 182 N -4.51 0.42 -3.35 2.35 4.77 -1.00 -4.92 117.00 110.76 3ixd n LEU 182 Ca 0.14 -0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 3ixd n LEU 182 Cb 0.30 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 3ixd n LEU 182 CO 0.32 0.07 0.22 0.29 -1.33 0.00 0.00 177.39 176.95 3ixd n LYS 183 N -0.72 -7.24 -3.13 3.23 5.02 0.49 -4.93 118.16 110.88 3ixd n LYS 183 Ca 0.21 0.77 -0.45 0.00 -2.02 0.00 0.00 58.31 56.82 3ixd n LYS 183 Cb 0.19 -5.63 -0.01 0.00 -0.02 0.00 0.00 35.03 29.57 3ixd n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ixd s LEU 184 N -6.74 5.78 0.00 -0.35 1.43 -0.47 -4.84 118.68 113.49 3ixd s LEU 184 Ca 0.48 -2.86 0.26 0.00 -1.03 0.00 0.00 54.13 50.98 3ixd s LEU 184 Cb -0.21 -2.31 0.66 0.00 0.03 0.00 0.00 46.19 44.36 3ixd s LEU 184 CO 0.67 -0.66 1.52 0.59 0.23 0.00 0.00 176.35 178.70 3ixd n ASN 185 N 4.72 0.56 -1.57 2.29 3.02 -1.26 -3.72 115.26 119.30 3ixd n ASN 185 Ca 0.25 -0.34 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 3ixd n ASN 185 Cb 0.44 0.14 0.08 0.00 -0.61 0.00 0.00 39.78 39.84 3ixd n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ixd n HIS 186 N -1.29 1.78 -4.26 3.10 8.25 -1.26 -4.96 115.22 116.58 3ixd n HIS 186 Ca 0.08 -1.96 -0.33 0.00 -0.26 0.00 0.00 57.72 55.25 3ixd n HIS 186 Cb 0.33 -0.31 -0.16 0.00 1.12 0.00 0.00 29.99 30.98 3ixd n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3ixd s THR 187 N -4.07 2.15 0.07 1.59 2.01 -1.24 -3.49 115.64 112.65 3ixd s THR 187 Ca 0.46 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.58 3ixd s THR 187 Cb 0.39 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 3ixd s THR 187 CO -0.00 0.54 -0.12 0.26 -0.69 0.00 0.00 174.62 174.61 3ixd s TRP 188 N 1.16 1.06 -0.09 4.92 0.52 0.23 -4.97 118.94 121.78 3ixd s TRP 188 Ca 0.02 -0.52 0.02 0.00 0.02 0.00 0.00 56.10 55.64 3ixd s TRP 188 Cb -0.14 -0.60 -0.25 0.00 -1.15 0.00 0.00 33.47 31.34 3ixd s TRP 188 CO -0.09 0.02 0.48 -0.89 0.02 0.00 0.00 176.95 176.48 3ixd n ILE 189 N 1.12 1.70 -4.36 2.03 5.41 -1.26 0.12 119.36 124.12 3ixd n ILE 189 Ca -0.20 -0.72 -0.30 0.00 1.00 0.00 0.00 62.75 62.54 3ixd n ILE 189 Cb 0.55 -1.42 -0.17 0.00 -0.71 0.00 0.00 39.64 37.89 3ixd n ILE 189 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3ixd s ASN 190 N -6.62 2.62 -0.23 4.38 0.01 -1.26 -4.74 114.94 109.10 3ixd s ASN 190 Ca -0.15 -0.48 -0.29 0.00 -0.71 0.00 0.00 52.86 51.23 3ixd s ASN 190 Cb 0.07 -1.18 -0.02 0.00 0.41 0.00 0.00 41.25 40.54 3ixd s ASN 190 CO 0.79 0.01 1.45 -0.69 -1.51 0.00 0.00 177.10 177.15 3ixd s VAL 191 N 1.10 3.94 0.66 1.60 1.01 -1.26 -4.98 120.40 122.47 3ixd s VAL 191 Ca -0.03 1.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.87 3ixd s VAL 191 Cb -0.14 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3ixd s VAL 191 CO -0.04 -0.33 1.13 -2.16 0.00 0.00 0.00 175.10 173.69 3ixd s PRO 192 N 4.29 2.75 0.55 2.72 0.04 -1.26 -4.85 135.00 139.23 3ixd s PRO 192 Ca 0.63 1.46 0.36 0.00 0.04 0.00 0.00 61.00 63.50 3ixd s PRO 192 Cb -0.22 -1.94 1.53 0.00 0.04 0.00 0.00 34.50 33.92 3ixd s PRO 192 CO 0.25 -1.30 1.79 -1.35 0.04 0.00 0.00 177.00 176.43 3ixd h PRO 193 N 0.08 0.00 0.00 0.56 0.11 -2.01 -0.59 132.00 130.15 3ixd h PRO 193 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ixd h PRO 193 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ixd h PRO 193 CO 0.54 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 3ixd h ALA 194 N 1.38 1.00 -0.01 -0.75 0.00 -2.02 -3.08 119.26 115.78 3ixd h ALA 194 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3ixd h ALA 194 Cb 2.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.02 3ixd h ALA 194 CO -0.01 0.00 -0.02 0.39 0.00 0.00 0.00 179.25 179.61 3ixd n GLU 195 N -3.02 0.43 -0.01 0.00 -0.58 -0.24 -4.65 120.64 112.57 3ixd n GLU 195 Ca -0.01 -0.88 0.06 0.00 -0.42 0.00 0.00 57.16 55.91 3ixd n GLU 195 Cb 0.20 -1.12 0.45 0.00 -0.57 0.00 0.00 31.44 30.40 3ixd n GLU 195 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3ixd h GLU 196 N 1.39 0.49 0.00 3.49 4.57 -1.43 0.12 114.58 123.21 3ixd h GLU 196 Ca 0.00 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3ixd h GLU 196 Cb 0.31 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3ixd h GLU 196 CO 0.00 0.32 -0.17 1.57 -1.18 0.00 0.00 179.01 179.56 3ixd h LYS 197 N 0.50 0.00 -0.02 1.92 2.10 -1.83 -2.83 116.57 116.42 3ixd h LYS 197 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 3ixd h LYS 197 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3ixd h LYS 197 CO -0.04 0.17 -0.09 0.09 -2.00 0.00 0.00 179.45 177.58 3ixd n ASN 198 N -3.76 2.09 -4.56 7.07 3.02 0.37 -4.89 115.26 114.61 3ixd n ASN 198 Ca -0.02 -1.63 -0.43 0.00 -0.03 0.00 0.00 54.58 52.48 3ixd n ASN 198 Cb 0.27 0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.48 3ixd n ASN 198 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ixd s TYR 199 N -2.11 2.89 0.61 3.10 5.04 -0.89 0.12 117.35 126.11 3ixd s TYR 199 Ca 0.30 0.33 -0.19 0.00 -2.44 0.00 0.00 57.07 55.08 3ixd s TYR 199 Cb 0.20 -4.01 -0.04 0.00 0.35 0.00 0.00 41.96 38.47 3ixd s TYR 199 CO 0.37 -1.15 1.12 0.00 -1.34 0.00 0.00 175.55 174.55 3ixd n ALA 200 N 7.25 0.67 -2.19 3.97 0.00 -0.53 -4.92 120.51 124.76 3ixd n ALA 200 Ca 0.06 0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 3ixd n ALA 200 Cb 0.48 -2.21 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 3ixd n ALA 200 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ixd s TRP 201 N -1.44 3.54 0.51 0.00 0.52 -0.37 -4.93 118.94 116.78 3ixd s TRP 201 Ca 0.78 1.23 -0.05 0.00 0.02 0.00 0.00 56.10 58.08 3ixd s TRP 201 Cb -0.41 -2.52 -0.02 0.00 -1.15 0.00 0.00 33.47 29.37 3ixd s TRP 201 CO 0.45 0.28 0.82 0.20 0.02 0.00 0.00 176.95 178.72 3ixd s GLY 202 N -1.90 1.53 -0.21 0.98 0.00 0.38 -4.80 107.32 103.31 3ixd s GLY 202 Ca 0.46 -0.57 -0.02 0.00 0.00 0.00 0.00 44.72 44.59 3ixd s GLY 202 CO 0.20 -0.37 0.01 -0.19 0.00 0.00 0.00 173.10 172.74 3ixd s TYR 203 N -2.81 1.47 -0.16 1.90 2.02 -0.77 -0.27 117.35 118.73 3ixd s TYR 203 Ca 0.49 -1.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.06 3ixd s TYR 203 Cb -0.10 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.26 3ixd s TYR 203 CO 0.45 -0.66 -0.19 0.50 -1.57 0.00 0.00 175.55 174.08 3ixd s ARG 204 N 1.71 3.08 -1.50 -0.62 3.52 -0.68 -4.45 118.95 120.02 3ixd s ARG 204 Ca -0.02 -0.81 -0.06 0.00 -0.13 0.00 0.00 55.73 54.71 3ixd s ARG 204 Cb -0.18 -2.56 0.01 0.00 -1.56 0.00 0.00 34.95 30.66 3ixd s ARG 204 CO -0.07 -0.08 0.11 0.39 -0.81 0.00 0.00 175.30 174.84 3ixd n GLU 205 N 4.28 -0.84 0.00 5.12 1.02 -1.26 -1.02 120.64 127.94 3ixd n GLU 205 Ca -0.20 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3ixd n GLU 205 Cb 0.51 -3.41 0.00 0.00 -0.02 0.00 0.00 31.44 28.52 3ixd n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ixd n GLY 206 N -2.51 2.20 3.75 0.62 0.00 -1.26 -4.97 105.19 103.01 3ixd n GLY 206 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3ixd n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixd s LYS 207 N 0.00 4.54 -0.15 1.61 1.02 -0.19 -5.02 119.74 121.55 3ixd s LYS 207 Ca 0.00 1.14 -0.28 0.00 0.02 0.00 0.00 55.97 56.84 3ixd s LYS 207 Cb 0.00 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 3ixd s LYS 207 CO 0.00 0.31 0.97 0.00 -0.92 0.00 0.00 175.35 175.71 3ixd s ALA 208 N -0.21 3.50 0.20 5.17 0.00 -1.26 -1.69 121.76 127.48 3ixd s ALA 208 Ca 0.39 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3ixd s ALA 208 Cb -0.21 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3ixd s ALA 208 CO 0.24 -0.72 -0.03 0.14 0.00 0.00 0.00 175.76 175.40 3ixd s VAL 209 N 2.32 0.99 0.06 0.00 -7.23 0.63 -4.91 120.40 112.25 3ixd s VAL 209 Ca 0.45 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3ixd s VAL 209 Cb -0.17 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 3ixd s VAL 209 CO 0.14 -0.46 -0.09 -1.00 -0.31 0.00 0.00 175.10 173.38 3ixd s HIS 210 N -3.45 0.84 0.56 2.82 3.76 -1.26 -0.47 115.29 118.09 3ixd s HIS 210 Ca 0.25 -0.53 -0.19 0.00 -0.15 0.00 0.00 55.06 54.44 3ixd s HIS 210 Cb 0.05 -0.49 -0.07 0.00 1.11 0.00 0.00 32.58 33.18 3ixd s HIS 210 CO 0.06 -0.05 0.83 1.55 -0.85 0.00 0.00 174.74 176.28 3ixd n VAL 211 N 1.26 3.05 -3.44 -0.90 3.14 -1.26 -4.98 118.33 115.20 3ixd n VAL 211 Ca -0.21 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.32 3ixd n VAL 211 Cb 0.55 -1.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.28 3ixd n VAL 211 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3ixd s SER 212 N -1.15 6.76 0.20 6.55 0.01 -1.26 -5.04 113.70 119.77 3ixd s SER 212 Ca 0.72 0.97 -0.32 0.00 1.31 0.00 0.00 55.95 58.62 3ixd s SER 212 Cb -0.45 -2.25 -0.13 0.00 0.21 0.00 0.00 66.02 63.41 3ixd s SER 212 CO 0.51 0.14 1.64 -2.65 0.41 0.00 0.00 173.24 173.29 3ixd n PRO 213 N 0.88 2.51 -3.95 12.44 -0.02 -1.26 -5.00 135.00 140.60 3ixd n PRO 213 Ca -0.07 0.90 -0.09 0.00 -2.02 0.00 0.00 63.50 62.22 3ixd n PRO 213 Cb 0.52 -2.71 -0.07 0.00 -0.02 0.00 0.00 33.50 31.22 3ixd n PRO 213 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ixd s GLY 214 N 0.95 0.44 0.30 -1.23 0.00 -1.26 -5.08 107.32 101.44 3ixd s GLY 214 Ca 0.75 -0.87 -0.29 0.00 0.00 0.00 0.00 44.72 44.31 3ixd s GLY 214 CO 0.37 -0.86 1.38 0.00 0.00 0.00 0.00 173.10 174.00 3ixd s ALA 215 N -3.95 3.56 -1.43 3.20 0.00 -1.26 -2.42 121.76 119.45 3ixd s ALA 215 Ca 0.15 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 3ixd s ALA 215 Cb 0.04 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.64 3ixd s ALA 215 CO -0.02 -0.74 0.12 1.28 0.00 0.00 0.00 175.76 176.41 3ixd n LEU 216 N 1.35 -1.70 -0.21 0.00 4.77 -1.26 -4.85 117.00 115.11 3ixd n LEU 216 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 3ixd n LEU 216 Cb 0.41 -2.57 0.11 0.00 -2.33 0.00 0.00 43.42 39.04 3ixd n LEU 216 CO 0.60 -0.09 0.98 -2.24 -1.33 0.00 0.00 177.39 175.30 3ixd h ASP 217 N -0.26 0.95 -0.59 -1.43 3.04 -1.88 -2.97 116.42 113.28 3ixd h ASP 217 Ca -0.42 -0.18 -0.01 0.00 -3.24 0.00 0.00 57.03 53.19 3ixd h ASP 217 Cb 1.30 -0.25 -0.03 0.00 -1.04 0.00 0.00 39.33 39.32 3ixd h ASP 217 CO 0.49 0.91 0.34 0.00 -2.04 0.00 0.00 179.24 178.93 3ixd h ALA 218 N 1.22 0.75 0.00 4.15 0.00 -1.89 0.28 119.26 123.76 3ixd h ALA 218 Ca 0.21 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3ixd h ALA 218 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ixd h ALA 218 CO -0.00 0.24 -0.55 0.93 0.00 0.00 0.00 179.25 179.87 3ixd h GLU 219 N 0.79 0.00 0.00 0.00 3.07 -1.88 -3.34 114.58 113.23 3ixd h GLU 219 Ca 0.21 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.95 3ixd h GLU 219 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3ixd h GLU 219 CO -0.04 0.55 -1.46 0.00 -1.40 0.00 0.00 179.01 176.67 3ixd n ALA 220 N -2.39 1.83 -1.73 3.43 0.00 -0.89 -4.39 120.51 116.37 3ixd n ALA 220 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3ixd n ALA 220 Cb 0.58 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.24 3ixd n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3ixd n TYR 221 N -2.49 0.00 -0.44 0.00 0.18 -0.16 -3.99 117.16 110.25 3ixd n TYR 221 Ca -0.13 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.77 3ixd n TYR 221 Cb 0.68 0.11 0.33 0.00 -0.38 0.00 0.00 39.34 40.09 3ixd n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3ixd n GLY 222 N 0.00 2.58 3.82 -7.48 0.00 0.81 -3.60 105.19 101.32 3ixd n GLY 222 Ca 0.00 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 3ixd n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixd s VAL 223 N -1.22 4.70 -0.04 1.61 1.01 -1.26 -4.46 120.40 120.74 3ixd s VAL 223 Ca 0.50 1.18 0.07 0.00 0.00 0.00 0.00 61.98 63.72 3ixd s VAL 223 Cb 0.27 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 3ixd s VAL 223 CO 0.31 0.41 -0.24 -0.54 0.00 0.00 0.00 175.10 175.03 3ixd s LYS 224 N -1.50 2.28 0.27 2.72 3.01 0.12 -1.44 119.74 125.20 3ixd s LYS 224 Ca 0.35 -0.87 -0.03 0.00 -1.01 0.00 0.00 55.97 54.40 3ixd s LYS 224 Cb -0.18 -2.03 -0.02 0.00 -1.01 0.00 0.00 37.83 34.59 3ixd s LYS 224 CO 0.20 0.43 0.32 0.45 0.51 0.00 0.00 175.35 177.26 3ixd s SER 225 N -0.30 0.51 0.25 2.83 0.15 0.04 -0.60 113.70 116.59 3ixd s SER 225 Ca 0.01 -1.36 0.06 0.00 0.70 0.00 0.00 55.95 55.36 3ixd s SER 225 Cb -0.12 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 3ixd s SER 225 CO 0.02 -1.06 0.31 0.42 1.20 0.00 0.00 173.24 174.13 3ixd s THR 226 N -3.75 4.90 0.45 6.45 -4.23 -1.23 0.69 115.64 118.93 3ixd s THR 226 Ca 0.33 -1.13 0.14 0.00 -1.18 0.00 0.00 61.69 59.85 3ixd s THR 226 Cb 0.03 -3.68 0.20 0.00 1.34 0.00 0.00 72.50 70.39 3ixd s THR 226 CO 0.16 -0.32 2.02 -0.29 -0.54 0.00 0.00 174.62 175.64 3ixd h ILE 227 N 1.26 1.11 0.22 2.99 6.09 -1.74 0.14 117.51 127.58 3ixd h ILE 227 Ca -0.50 -0.49 -0.01 0.00 -1.37 0.00 0.00 64.86 62.48 3ixd h ILE 227 Cb 1.23 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.74 3ixd h ILE 227 CO 0.60 0.14 -0.11 -0.33 -3.07 0.00 0.00 178.15 175.39 3ixd h GLU 228 N 0.05 -0.29 -0.88 2.19 5.08 -1.94 -1.58 114.58 117.21 3ixd h GLU 228 Ca 0.01 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3ixd h GLU 228 Cb 0.24 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3ixd h GLU 228 CO 0.02 0.04 0.58 -0.44 -1.00 0.00 0.00 179.01 178.21 3ixd h ASP 229 N -0.65 1.01 0.42 1.42 5.19 -1.82 -1.95 116.42 120.03 3ixd h ASP 229 Ca -0.03 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.29 3ixd h ASP 229 Cb 0.46 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 3ixd h ASP 229 CO 0.05 0.73 -0.30 0.24 -3.12 0.00 0.00 179.24 176.84 3ixd h MET 230 N 1.19 0.00 -0.14 3.56 2.86 -0.68 -0.03 114.93 121.69 3ixd h MET 230 Ca 0.32 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.75 3ixd h MET 230 Cb -0.13 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.54 3ixd h MET 230 CO -0.07 0.30 -0.73 0.00 1.06 0.00 0.00 176.91 177.46 3ixd h ALA 231 N 1.70 0.28 -0.58 6.32 0.00 -0.66 -1.12 119.26 125.19 3ixd h ALA 231 Ca -0.00 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 54.34 3ixd h ALA 231 Cb 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3ixd h ALA 231 CO 0.04 0.62 0.37 -0.09 0.00 0.00 0.00 179.25 180.19 3ixd h ARG 232 N 0.46 0.72 -0.49 0.00 2.43 -1.10 0.77 114.38 117.15 3ixd h ARG 232 Ca -0.05 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3ixd h ARG 232 Cb 1.37 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 3ixd h ARG 232 CO 0.15 0.47 0.20 2.35 -1.51 0.00 0.00 179.97 181.64 3ixd h TRP 233 N 0.74 0.36 -0.21 2.20 2.91 -0.81 0.59 115.95 121.72 3ixd h TRP 233 Ca 0.22 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.18 3ixd h TRP 233 Cb -0.03 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.52 3ixd h TRP 233 CO -0.05 0.14 -0.26 0.28 -1.03 0.00 0.00 178.44 177.52 3ixd h VAL 234 N 0.40 1.26 -0.39 2.65 2.07 -0.86 -2.01 116.25 119.38 3ixd h VAL 234 Ca 0.23 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 3ixd h VAL 234 Cb 0.21 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3ixd h VAL 234 CO -0.21 0.39 -0.08 -0.61 0.02 0.00 0.00 177.57 177.08 3ixd h GLN 235 N 0.36 0.74 -0.81 1.57 5.75 -0.07 -0.39 115.11 122.26 3ixd h GLN 235 Ca 0.05 -0.28 0.05 0.00 -0.15 0.00 0.00 58.65 58.33 3ixd h GLN 235 Cb 0.66 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.11 3ixd h GLN 235 CO 0.05 0.88 0.53 0.77 -2.65 0.00 0.00 178.83 178.41 3ixd h SER 236 N 0.56 0.81 1.28 -0.69 0.02 -0.73 -0.26 113.55 114.53 3ixd h SER 236 Ca 0.10 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 3ixd h SER 236 Cb 0.59 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3ixd h SER 236 CO 0.04 0.53 -0.73 0.78 -1.14 0.00 0.00 176.83 176.30 3ixd h ASN 237 N 0.92 0.00 0.01 3.07 2.35 -1.13 -2.96 115.58 117.84 3ixd h ASN 237 Ca 0.34 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3ixd h ASN 237 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3ixd h ASN 237 CO -0.11 0.62 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.21 3ixd h LEU 238 N 0.00 -0.02 -6.66 1.61 3.38 -0.75 -3.40 115.31 109.49 3ixd h LEU 238 Ca -0.03 -0.36 -0.61 0.00 0.09 0.00 0.00 57.88 56.97 3ixd h LEU 238 Cb 1.50 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.84 3ixd h LEU 238 CO 0.08 0.35 -0.64 1.17 0.09 0.00 0.00 178.44 179.49 3ixd n LYS 239 N -4.92 1.90 0.09 1.13 4.81 -0.14 -4.88 118.16 116.15 3ixd n LYS 239 Ca -0.08 -4.39 0.02 0.00 -0.87 0.00 0.00 58.31 52.99 3ixd n LYS 239 Cb 0.20 -2.17 0.39 0.00 0.02 0.00 0.00 35.03 33.46 3ixd n LYS 239 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3ixd h PRO 240 N 4.90 0.31 0.00 1.64 0.13 -1.73 -2.86 132.00 134.39 3ixd h PRO 240 Ca 0.17 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ixd h PRO 240 Cb 0.74 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3ixd h PRO 240 CO 0.72 0.39 0.04 1.28 -0.23 0.00 0.00 178.00 180.20 3ixd n LEU 241 N -4.31 0.42 -0.13 1.56 4.77 -1.26 -0.57 117.00 117.47 3ixd n LEU 241 Ca -0.00 0.68 0.15 0.00 -0.03 0.00 0.00 56.01 56.80 3ixd n LEU 241 Cb 0.23 -0.72 0.69 0.00 -2.33 0.00 0.00 43.42 41.29 3ixd n LEU 241 CO 0.38 -0.82 0.94 0.47 -1.33 0.00 0.00 177.39 177.02 3ixd n ASP 242 N -2.07 0.46 -4.69 -1.43 9.92 -1.08 -4.85 116.55 112.81 3ixd n ASP 242 Ca -0.01 -0.77 -0.39 0.00 -0.53 0.00 0.00 54.79 53.09 3ixd n ASP 242 Cb 0.07 -0.06 -0.06 0.00 -0.64 0.00 0.00 41.12 40.43 3ixd n ASP 242 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3ixd s ILE 243 N -2.31 5.10 0.14 0.53 1.01 0.26 -4.98 121.20 120.96 3ixd s ILE 243 Ca 0.35 1.11 0.09 0.00 0.00 0.00 0.00 60.65 62.19 3ixd s ILE 243 Cb 0.21 -3.90 -0.13 0.00 0.01 0.00 0.00 42.46 38.65 3ixd s ILE 243 CO 0.43 0.23 1.40 0.78 0.00 0.00 0.00 174.94 177.78 3ixd h ASN 244 N 7.06 0.00 -3.38 3.58 2.35 -1.88 -3.42 115.58 119.88 3ixd h ASN 244 Ca -0.37 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.78 3ixd h ASN 244 Cb 1.17 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.44 3ixd h ASN 244 CO 0.76 0.83 0.40 -1.83 -1.65 0.00 0.00 177.43 175.94 3ixd s GLU 245 N -3.01 4.06 0.41 0.81 1.03 -1.26 -4.96 118.70 115.78 3ixd s GLU 245 Ca 0.01 0.72 0.14 0.00 0.03 0.00 0.00 54.97 55.86 3ixd s GLU 245 Cb 0.11 -3.69 0.86 0.00 -0.80 0.00 0.00 34.13 30.61 3ixd s GLU 245 CO 0.79 -0.59 1.90 -0.22 -1.33 0.00 0.00 175.26 175.81 3ixd h LYS 246 N 7.93 0.00 0.00 -4.83 1.63 -2.00 -2.25 116.57 117.05 3ixd h LYS 246 Ca -0.24 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.36 3ixd h LYS 246 Cb 1.10 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.70 3ixd h LYS 246 CO 0.87 0.28 -0.96 1.79 -3.45 0.00 0.00 179.45 177.98 3ixd h THR 247 N 0.00 1.52 -0.26 1.00 1.35 -1.93 -1.87 112.91 112.73 3ixd h THR 247 Ca -0.00 -3.18 -0.05 0.00 -0.55 0.00 0.00 66.41 62.63 3ixd h THR 247 Cb 0.51 2.75 -0.01 0.00 -1.73 0.00 0.00 68.15 69.67 3ixd h THR 247 CO 0.04 0.87 -0.02 0.25 -0.25 0.00 0.00 175.52 176.40 3ixd h LEU 248 N 0.00 0.47 -0.62 3.87 5.85 -1.81 0.24 115.31 123.30 3ixd h LEU 248 Ca -0.02 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.45 3ixd h LEU 248 Cb 1.72 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.55 3ixd h LEU 248 CO 0.12 0.69 0.27 -0.61 -0.34 0.00 0.00 178.44 178.56 3ixd h GLN 249 N 0.24 0.47 -0.01 1.25 4.15 -1.41 -0.69 115.11 119.11 3ixd h GLN 249 Ca 0.07 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.26 3ixd h GLN 249 Cb 0.46 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 3ixd h GLN 249 CO 0.02 0.31 -0.86 1.96 -1.93 0.00 0.00 178.83 178.33 3ixd h GLN 250 N 0.48 0.29 -0.41 1.69 4.20 -1.19 -2.63 115.11 117.54 3ixd h GLN 250 Ca 0.30 -0.29 0.07 0.00 0.06 0.00 0.00 58.65 58.79 3ixd h GLN 250 Cb 0.33 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 3ixd h GLN 250 CO -0.27 0.99 0.03 0.78 -0.67 0.00 0.00 178.83 179.69 3ixd h GLY 251 N 1.56 0.44 1.01 3.46 0.00 -0.07 0.12 103.07 109.59 3ixd h GLY 251 Ca -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3ixd h GLY 251 CO 0.14 -0.08 0.37 -2.22 0.00 0.00 0.00 176.54 174.75 3ixd h ILE 252 N 0.14 1.23 -0.35 2.60 2.04 -1.03 -1.23 117.51 120.92 3ixd h ILE 252 Ca 0.20 -0.63 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 3ixd h ILE 252 Cb 0.28 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3ixd h ILE 252 CO -0.31 0.27 -0.10 1.56 0.00 0.00 0.00 178.15 179.57 3ixd h GLN 253 N 1.03 0.69 -0.59 2.37 4.20 -1.03 -3.11 115.11 118.67 3ixd h GLN 253 Ca 0.26 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3ixd h GLN 253 Cb 0.09 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3ixd h GLN 253 CO -0.04 0.86 0.35 -0.07 -0.67 0.00 0.00 178.83 179.26 3ixd h LEU 254 N 0.48 0.72 -1.96 1.46 3.38 -0.44 -2.39 115.31 116.55 3ixd h LEU 254 Ca 0.09 -0.07 0.29 0.00 0.09 0.00 0.00 57.88 58.28 3ixd h LEU 254 Cb 0.61 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3ixd h LEU 254 CO 0.04 0.57 0.73 0.00 0.09 0.00 0.00 178.44 179.86 3ixd h ALA 255 N 1.17 2.92 -0.33 1.53 0.00 -1.17 0.13 119.26 123.52 3ixd h ALA 255 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ixd h ALA 255 Cb -0.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ixd h ALA 255 CO -0.04 -1.21 0.00 1.04 0.00 0.00 0.00 179.25 179.04 3ixd n GLN 256 N -4.25 2.25 -1.17 0.00 6.02 -0.90 -0.78 117.38 118.55 3ixd n GLN 256 Ca 0.21 -1.89 -0.30 0.00 -0.01 0.00 0.00 57.00 55.01 3ixd n GLN 256 Cb 1.06 -1.47 0.13 0.00 1.02 0.00 0.00 30.24 30.98 3ixd n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3ixd s SER 257 N -1.47 3.66 -0.32 1.08 0.01 0.46 -3.93 113.70 113.18 3ixd s SER 257 Ca 0.36 1.63 -0.04 0.00 1.31 0.00 0.00 55.95 59.21 3ixd s SER 257 Cb 0.21 -2.30 0.04 0.00 0.21 0.00 0.00 66.02 64.18 3ixd s SER 257 CO 0.29 -2.54 0.06 -0.13 0.41 0.00 0.00 173.24 171.33 3ixd s ARG 258 N -4.89 2.57 -0.01 12.44 0.52 -0.24 -3.79 118.95 125.54 3ixd s ARG 258 Ca 0.63 -1.20 0.19 0.00 -0.52 0.00 0.00 55.73 54.83 3ixd s ARG 258 Cb -0.18 -3.33 -0.24 0.00 0.52 0.00 0.00 34.95 31.71 3ixd s ARG 258 CO 0.57 -0.63 0.68 0.66 0.02 0.00 0.00 175.30 176.59 3ixd n TYR 259 N 4.74 0.00 -3.63 -0.53 4.01 0.46 -2.40 117.16 119.81 3ixd n TYR 259 Ca -0.13 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.50 3ixd n TYR 259 Cb 0.44 -0.15 -0.07 0.00 -0.31 0.00 0.00 39.34 39.25 3ixd n TYR 259 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3ixd s TRP 260 N -2.98 -0.86 -0.17 -0.72 -0.11 -1.23 -2.03 118.94 110.82 3ixd s TRP 260 Ca 0.02 1.96 -0.00 0.00 1.22 0.00 0.00 56.10 59.30 3ixd s TRP 260 Cb 0.14 0.39 0.00 0.00 -1.50 0.00 0.00 33.47 32.50 3ixd s TRP 260 CO 0.79 -0.42 -0.15 -1.14 -4.62 0.00 0.00 176.95 171.41 3ixd s GLN 261 N 0.78 3.16 -0.21 5.86 0.74 -0.35 0.07 119.66 129.71 3ixd s GLN 261 Ca -0.03 -0.76 -0.03 0.00 0.05 0.00 0.00 55.36 54.59 3ixd s GLN 261 Cb -0.05 -2.67 0.07 0.00 1.10 0.00 0.00 33.01 31.46 3ixd s GLN 261 CO -0.06 -0.10 0.07 -0.08 -0.55 0.00 0.00 175.29 174.57 3ixd s THR 262 N 1.09 0.31 0.00 -0.34 -1.32 -0.18 -1.77 115.64 113.43 3ixd s THR 262 Ca -0.00 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 3ixd s THR 262 Cb -0.14 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 3ixd s THR 262 CO -0.05 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.63 3ixd n GLY 263 N 5.12 2.44 0.07 6.08 0.00 -1.26 -2.04 105.19 115.60 3ixd n GLY 263 Ca -0.07 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.69 3ixd n GLY 263 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ixd n ASP 264 N 3.89 0.35 -4.88 1.61 8.00 -1.26 -4.90 116.55 119.36 3ixd n ASP 264 Ca 0.00 -0.34 -0.36 0.00 0.71 0.00 0.00 54.79 54.80 3ixd n ASP 264 Cb 0.00 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 3ixd n ASP 264 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ixd s MET 265 N -2.62 3.46 -0.00 -1.24 0.23 -0.87 -4.54 119.30 113.72 3ixd s MET 265 Ca 0.25 -0.14 0.00 0.00 -1.03 0.00 0.00 55.69 54.77 3ixd s MET 265 Cb 0.20 -3.18 -0.04 0.00 -1.53 0.00 0.00 34.83 30.28 3ixd s MET 265 CO 0.51 0.76 0.05 0.71 -2.03 0.00 0.00 175.02 175.02 3ixd s TYR 266 N -1.08 3.21 -0.21 3.16 2.02 0.91 -1.01 117.35 124.35 3ixd s TYR 266 Ca 0.17 0.16 -0.10 0.00 -0.37 0.00 0.00 57.07 56.94 3ixd s TYR 266 Cb -0.12 -1.72 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 3ixd s TYR 266 CO 0.07 0.52 0.13 -1.14 -1.57 0.00 0.00 175.55 173.56 3ixd s GLN 267 N -1.66 4.10 0.00 -0.62 2.00 0.11 -1.35 119.66 122.24 3ixd s GLN 267 Ca 0.22 -0.26 0.00 0.00 -2.00 0.00 0.00 55.36 53.31 3ixd s GLN 267 Cb -0.12 -3.44 0.00 0.00 0.80 0.00 0.00 33.01 30.25 3ixd s GLN 267 CO 0.12 0.19 0.00 0.41 -0.50 0.00 0.00 175.29 175.51 3ixd n GLY 268 N 3.86 4.24 3.51 2.59 0.00 -0.21 -0.40 105.19 118.78 3ixd n GLY 268 Ca -0.16 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.35 3ixd n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixd s LEU 269 N 0.00 4.19 0.00 0.99 1.43 0.04 -4.43 118.68 120.90 3ixd s LEU 269 Ca 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3ixd s LEU 269 Cb 0.00 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.42 3ixd s LEU 269 CO 0.00 -1.19 0.00 0.61 0.23 0.00 0.00 176.35 176.00 3ixd n GLY 270 N 5.12 1.96 3.75 -3.19 0.00 -1.26 -4.23 105.19 107.35 3ixd n GLY 270 Ca 0.01 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3ixd n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ixd s TRP 271 N 0.00 2.30 0.07 1.61 0.52 -1.26 -4.70 118.94 117.49 3ixd s TRP 271 Ca 0.00 1.35 0.10 0.00 0.02 0.00 0.00 56.10 57.57 3ixd s TRP 271 Cb 0.00 -3.83 -0.03 0.00 -1.15 0.00 0.00 33.47 28.46 3ixd s TRP 271 CO 0.00 -2.92 -0.26 -1.21 0.02 0.00 0.00 176.95 172.57 3ixd s GLU 272 N -2.84 1.69 0.04 4.98 2.02 -0.97 -1.05 118.70 122.58 3ixd s GLU 272 Ca 0.70 -1.18 0.02 0.00 0.02 0.00 0.00 54.97 54.53 3ixd s GLU 272 Cb -0.41 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 3ixd s GLU 272 CO 0.49 0.49 -0.07 -1.64 0.02 0.00 0.00 175.26 174.56 3ixd s MET 273 N -1.51 0.49 0.04 1.61 -1.94 -0.46 -1.20 119.30 116.34 3ixd s MET 273 Ca 0.13 -0.76 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 3ixd s MET 273 Cb -0.10 -0.19 -0.02 0.00 2.01 0.00 0.00 34.83 36.53 3ixd s MET 273 CO 0.03 0.02 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.47 3ixd s LEU 274 N -1.64 2.24 0.34 -0.03 1.02 -0.43 -0.06 118.68 120.12 3ixd s LEU 274 Ca -0.10 -0.52 -0.29 0.00 0.02 0.00 0.00 54.13 53.24 3ixd s LEU 274 Cb -0.09 -0.24 -0.11 0.00 0.02 0.00 0.00 46.19 45.77 3ixd s LEU 274 CO -0.00 -0.16 1.55 -1.81 0.02 0.00 0.00 176.35 175.96 3ixd s ASP 275 N -1.48 6.33 -0.13 2.29 1.01 -1.26 0.58 116.67 124.02 3ixd s ASP 275 Ca -0.07 3.02 -0.06 0.00 0.71 0.00 0.00 52.55 56.15 3ixd s ASP 275 Cb -0.09 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 3ixd s ASP 275 CO 0.01 -0.91 0.08 0.86 0.21 0.00 0.00 175.17 175.41 3ixd s TRP 276 N -0.54 3.36 0.37 4.23 -0.11 -0.80 -3.76 118.94 121.70 3ixd s TRP 276 Ca 0.59 0.30 -0.14 0.00 1.22 0.00 0.00 56.10 58.07 3ixd s TRP 276 Cb -0.48 -1.93 -0.08 0.00 -1.50 0.00 0.00 33.47 29.48 3ixd s TRP 276 CO 0.56 0.49 0.78 -1.25 -4.62 0.00 0.00 176.95 172.90 3ixd s PRO 277 N -0.58 3.94 0.14 5.86 0.04 -1.26 -4.84 135.00 138.30 3ixd s PRO 277 Ca 0.11 0.66 0.02 0.00 0.04 0.00 0.00 61.00 61.82 3ixd s PRO 277 Cb -0.12 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 3ixd s PRO 277 CO 0.02 0.05 -0.03 0.14 0.04 0.00 0.00 177.00 177.23 3ixd s VAL 278 N -2.16 0.66 0.31 -0.36 -7.23 -1.25 -5.13 120.40 105.24 3ixd s VAL 278 Ca 0.54 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 3ixd s VAL 278 Cb -0.10 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 3ixd s VAL 278 CO 0.22 -0.65 0.57 0.20 -0.31 0.00 0.00 175.10 175.13 3ixd s ASN 279 N -3.11 6.42 0.46 4.85 0.01 -1.26 -5.00 114.94 117.31 3ixd s ASN 279 Ca 0.19 0.70 0.18 0.00 -0.71 0.00 0.00 52.86 53.21 3ixd s ASN 279 Cb 0.06 -2.14 1.15 0.00 0.41 0.00 0.00 41.25 40.73 3ixd s ASN 279 CO -0.00 -0.23 1.95 -0.65 -1.51 0.00 0.00 177.10 176.66 3ixd h PRO 280 N 1.49 0.29 0.05 -0.60 0.11 -1.98 -1.98 132.00 129.37 3ixd h PRO 280 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ixd h PRO 280 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ixd h PRO 280 CO 0.65 0.19 -0.02 0.38 -0.21 0.00 0.00 178.00 178.99 3ixd h ASP 281 N 0.30 -0.05 -0.60 -2.05 2.03 -1.95 -1.56 116.42 112.53 3ixd h ASP 281 Ca 0.33 -0.05 0.03 0.00 -0.73 0.00 0.00 57.03 56.61 3ixd h ASP 281 Cb 0.87 0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 39.35 3ixd h ASP 281 CO -0.08 0.02 0.40 0.28 -1.03 0.00 0.00 179.24 178.82 3ixd h SER 282 N -0.12 0.61 0.75 4.15 0.02 -1.78 -2.02 113.55 115.16 3ixd h SER 282 Ca -0.01 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 3ixd h SER 282 Cb 0.10 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3ixd h SER 282 CO 0.01 0.42 -0.41 0.40 -1.14 0.00 0.00 176.83 176.10 3ixd h ILE 283 N 0.70 1.01 0.00 3.27 2.04 -1.09 -3.48 117.51 119.96 3ixd h ILE 283 Ca 0.24 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3ixd h ILE 283 Cb 0.09 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3ixd h ILE 283 CO -0.07 0.41 0.00 -0.38 0.00 0.00 0.00 178.15 178.11 3ixd n ILE 284 N -3.63 0.00 -2.82 -0.67 2.08 -0.61 -5.10 119.36 108.61 3ixd n ILE 284 Ca -0.01 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 3ixd n ILE 284 Cb 0.51 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 39.46 3ixd n ILE 284 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3ixd n PRO 297 N 0.00 -3.11 -2.73 0.38 -0.02 -1.26 -4.74 135.00 123.52 3ixd n PRO 297 Ca 0.00 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 3ixd n PRO 297 Cb 0.00 -4.57 -0.03 0.00 -0.02 0.00 0.00 33.50 28.89 3ixd n PRO 297 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ixd s GLU 298 N -4.47 4.18 0.02 -0.52 2.02 -1.26 -4.14 118.70 114.53 3ixd s GLU 298 Ca 0.13 1.14 -0.16 0.00 0.02 0.00 0.00 54.97 56.11 3ixd s GLU 298 Cb -0.02 -3.67 0.03 0.00 0.10 0.00 0.00 34.13 30.57 3ixd s GLU 298 CO 0.48 -0.66 0.34 -1.59 0.02 0.00 0.00 175.26 173.86 3ixd s LYS 299 N 3.18 0.79 0.73 1.61 -2.85 -0.73 -4.95 119.74 117.52 3ixd s LYS 299 Ca 0.41 -0.35 -0.11 0.00 -1.00 0.00 0.00 55.97 54.92 3ixd s LYS 299 Cb -0.14 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.00 3ixd s LYS 299 CO 0.09 -0.25 1.08 0.00 0.10 0.00 0.00 175.35 176.37 3ixd s ALA 300 N -2.07 2.57 -0.33 0.59 0.00 -1.26 -1.21 121.76 120.05 3ixd s ALA 300 Ca -0.08 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3ixd s ALA 300 Cb -0.02 -3.11 0.10 0.00 0.00 0.00 0.00 23.12 20.08 3ixd s ALA 300 CO -0.00 -1.37 0.04 0.42 0.00 0.00 0.00 175.76 174.85 3ixd s ILE 301 N -3.15 2.08 -0.12 0.00 1.01 -0.86 -4.79 121.20 115.36 3ixd s ILE 301 Ca 0.59 -2.16 0.02 0.00 0.00 0.00 0.00 60.65 59.10 3ixd s ILE 301 Cb -0.13 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.83 3ixd s ILE 301 CO 0.54 -0.57 -0.19 0.42 0.00 0.00 0.00 174.94 175.14 3ixd s THR 302 N 1.02 1.83 0.92 2.92 -4.23 -1.26 -1.97 115.64 114.86 3ixd s THR 302 Ca 0.09 -0.84 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 3ixd s THR 302 Cb -0.19 -1.63 0.14 0.00 1.34 0.00 0.00 72.50 72.16 3ixd s THR 302 CO -0.10 0.51 1.10 -2.16 -0.54 0.00 0.00 174.62 173.42 3ixd s PRO 303 N 0.86 1.07 0.27 3.99 0.04 -1.26 -5.06 135.00 134.92 3ixd s PRO 303 Ca -0.07 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 3ixd s PRO 303 Cb -0.15 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 3ixd s PRO 303 CO -0.01 -2.44 1.53 -1.25 0.04 0.00 0.00 177.00 174.87 3ixd s PRO 304 N -4.79 4.18 -0.02 0.56 0.04 -0.83 -4.93 135.00 129.21 3ixd s PRO 304 Ca 0.65 2.47 -0.32 0.00 0.04 0.00 0.00 61.00 63.83 3ixd s PRO 304 Cb -0.20 -3.06 -0.11 0.00 0.04 0.00 0.00 34.50 31.18 3ixd s PRO 304 CO 0.58 -0.55 1.91 2.41 0.04 0.00 0.00 177.00 181.39 3ixd n THR 305 N 2.25 0.64 -0.95 1.26 -1.04 -1.01 -4.77 114.28 110.65 3ixd n THR 305 Ca 0.08 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.65 3ixd n THR 305 Cb 0.38 -2.07 0.14 0.00 -1.82 0.00 0.00 70.33 66.96 3ixd n THR 305 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ixd n PRO 306 N 6.88 -0.05 -1.65 -2.82 -0.02 -1.26 -1.08 135.00 134.99 3ixd n PRO 306 Ca 0.21 0.06 -0.61 0.00 -2.02 0.00 0.00 63.50 61.14 3ixd n PRO 306 Cb 0.35 -2.38 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 3ixd n PRO 306 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ixd n ALA 307 N -3.61 -0.49 -2.54 3.55 0.00 -1.25 -4.74 120.51 111.43 3ixd n ALA 307 Ca 0.13 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 3ixd n ALA 307 Cb 0.51 -2.12 -0.05 0.00 0.00 0.00 0.00 19.45 17.79 3ixd n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ixd s VAL 308 N 3.93 4.64 -0.20 0.00 1.01 -1.26 -4.94 120.40 123.58 3ixd s VAL 308 Ca 1.04 0.44 0.27 0.00 0.00 0.00 0.00 61.98 63.73 3ixd s VAL 308 Cb -1.27 -4.32 0.29 0.00 0.00 0.00 0.00 36.38 31.07 3ixd s VAL 308 CO 0.71 -0.72 1.82 0.08 0.00 0.00 0.00 175.10 176.98 3ixd h ARG 309 N 8.98 0.00 -3.20 2.72 0.11 -1.98 -3.07 114.38 117.94 3ixd h ARG 309 Ca -0.25 0.00 -0.73 0.00 0.10 0.00 0.00 59.98 59.11 3ixd h ARG 309 Cb 1.09 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.08 3ixd h ARG 309 CO 0.96 0.00 2.74 0.00 0.10 0.00 0.00 179.97 183.77 3ixd n ALA 310 N -1.87 6.33 -2.69 0.08 0.00 -1.26 0.08 120.51 121.19 3ixd n ALA 310 Ca 0.01 -4.00 -0.15 0.00 0.00 0.00 0.00 53.44 49.30 3ixd n ALA 310 Cb 0.19 -3.10 -0.11 0.00 0.00 0.00 0.00 19.45 16.43 3ixd n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ixd s SER 311 N 1.39 1.26 -0.57 0.00 0.01 -1.16 -1.90 113.70 112.73 3ixd s SER 311 Ca 0.52 -0.66 -0.21 0.00 1.31 0.00 0.00 55.95 56.91 3ixd s SER 311 Cb 0.15 0.01 0.07 0.00 0.21 0.00 0.00 66.02 66.46 3ixd s SER 311 CO -0.06 -0.19 0.78 0.86 0.41 0.00 0.00 173.24 175.04 3ixd s TRP 312 N -1.73 2.90 -0.20 2.43 -0.11 0.20 -4.04 118.94 118.39 3ixd s TRP 312 Ca -0.03 -0.56 -0.09 0.00 1.22 0.00 0.00 56.10 56.64 3ixd s TRP 312 Cb -0.07 -3.93 -0.05 0.00 -1.50 0.00 0.00 33.47 27.92 3ixd s TRP 312 CO 0.01 -1.30 0.11 0.08 -4.62 0.00 0.00 176.95 171.22 3ixd s VAL 313 N 3.21 5.22 0.18 5.86 1.01 -0.41 -1.31 120.40 134.15 3ixd s VAL 313 Ca 0.18 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 3ixd s VAL 313 Cb -0.19 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.85 3ixd s VAL 313 CO 0.11 0.45 0.49 -1.38 0.00 0.00 0.00 175.10 174.77 3ixd s HIS 314 N 0.37 -0.14 -0.18 5.22 -0.00 -0.34 -0.20 115.29 120.02 3ixd s HIS 314 Ca 0.06 -0.19 -0.17 0.00 -0.00 0.00 0.00 55.06 54.76 3ixd s HIS 314 Cb -0.11 0.36 0.05 0.00 -0.00 0.00 0.00 32.58 32.87 3ixd s HIS 314 CO -0.01 -0.86 0.49 0.21 -0.00 0.00 0.00 174.74 174.56 3ixd s LYS 315 N -3.86 0.57 0.25 -0.38 2.47 0.10 -2.28 119.74 116.60 3ixd s LYS 315 Ca 0.08 0.69 0.06 0.00 -1.56 0.00 0.00 55.97 55.23 3ixd s LYS 315 Cb -0.00 0.27 -0.03 0.00 -1.46 0.00 0.00 37.83 36.61 3ixd s LYS 315 CO -0.05 -0.07 0.34 0.95 0.16 0.00 0.00 175.35 176.68 3ixd s THR 316 N 0.30 4.97 -0.10 3.43 -4.23 -1.26 -1.15 115.64 117.61 3ixd s THR 316 Ca -0.00 -1.07 -0.23 0.00 -1.18 0.00 0.00 61.69 59.21 3ixd s THR 316 Cb -0.04 -3.73 0.05 0.00 1.34 0.00 0.00 72.50 70.13 3ixd s THR 316 CO 0.00 -0.31 0.54 -0.83 -0.54 0.00 0.00 174.62 173.48 3ixd s GLY 317 N -3.98 -0.41 -0.11 3.99 0.00 -0.54 -3.52 107.32 102.76 3ixd s GLY 317 Ca 0.35 1.14 -0.05 0.00 0.00 0.00 0.00 44.72 46.15 3ixd s GLY 317 CO 0.28 0.87 0.26 0.00 0.00 0.00 0.00 173.10 174.51 3ixd s ALA 318 N -0.71 -0.59 0.28 3.20 0.00 -1.26 -0.44 121.76 122.23 3ixd s ALA 318 Ca -0.08 1.03 0.02 0.00 0.00 0.00 0.00 51.96 52.94 3ixd s ALA 318 Cb -0.03 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3ixd s ALA 318 CO 0.05 -0.24 0.18 0.25 0.00 0.00 0.00 175.76 176.00 3ixd n THR 319 N 4.32 0.00 -0.20 0.00 -2.24 -0.64 -4.39 114.28 111.13 3ixd n THR 319 Ca -0.24 -1.16 0.10 0.00 -2.27 0.00 0.00 64.05 60.48 3ixd n THR 319 Cb 0.53 -0.17 0.40 0.00 -2.10 0.00 0.00 70.33 69.00 3ixd n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3ixd h GLY 320 N 0.40 0.96 -0.28 3.38 0.00 -1.99 -3.13 103.07 102.41 3ixd h GLY 320 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3ixd h GLY 320 CO 0.30 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.59 3ixd n GLY 321 N -1.46 2.14 3.04 4.60 0.00 -1.26 -4.51 105.19 107.74 3ixd n GLY 321 Ca 0.14 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 3ixd n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ixd s PHE 322 N -0.85 0.65 -0.05 1.61 0.40 -1.18 -1.79 117.98 116.77 3ixd s PHE 322 Ca 0.05 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 55.98 3ixd s PHE 322 Cb 0.03 -0.40 0.03 0.00 0.51 0.00 0.00 43.02 43.19 3ixd s PHE 322 CO 0.04 -0.06 -0.01 0.20 0.70 0.00 0.00 175.22 176.09 3ixd s GLY 323 N -1.23 0.40 0.15 4.36 0.00 -0.58 -1.63 107.32 108.79 3ixd s GLY 323 Ca -0.07 -0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.68 3ixd s GLY 323 CO 0.00 0.87 -0.11 -1.35 0.00 0.00 0.00 173.10 172.51 3ixd s SER 324 N 1.52 1.84 -0.13 1.64 1.04 0.41 -1.75 113.70 118.26 3ixd s SER 324 Ca -0.02 -1.00 -0.18 0.00 0.48 0.00 0.00 55.95 55.23 3ixd s SER 324 Cb -0.13 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.01 3ixd s SER 324 CO -0.03 -0.31 0.46 -0.47 0.98 0.00 0.00 173.24 173.87 3ixd s TYR 325 N -3.24 -0.47 -0.02 5.02 5.04 -0.55 -1.47 117.35 121.66 3ixd s TYR 325 Ca 0.17 1.06 -0.00 0.00 -2.44 0.00 0.00 57.07 55.85 3ixd s TYR 325 Cb 0.02 0.19 0.03 0.00 0.35 0.00 0.00 41.96 42.54 3ixd s TYR 325 CO 0.01 -0.31 0.03 0.08 -1.34 0.00 0.00 175.55 174.02 3ixd s VAL 326 N -0.20 -0.05 -0.09 3.14 1.01 -0.30 -1.46 120.40 122.46 3ixd s VAL 326 Ca -0.04 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 3ixd s VAL 326 Cb -0.03 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.29 3ixd s VAL 326 CO 0.02 0.07 0.26 0.00 0.00 0.00 0.00 175.10 175.46 3ixd s ALA 327 N 0.90 -0.65 -0.03 5.51 0.00 -0.81 -0.73 121.76 125.95 3ixd s ALA 327 Ca -0.07 0.66 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 3ixd s ALA 327 Cb -0.11 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.69 3ixd s ALA 327 CO -0.03 -0.14 0.42 -0.59 0.00 0.00 0.00 175.76 175.43 3ixd s PHE 328 N -0.06 -0.33 -0.29 0.00 -0.71 0.72 -0.67 117.98 116.63 3ixd s PHE 328 Ca -0.02 0.56 0.03 0.00 -1.04 0.00 0.00 56.93 56.46 3ixd s PHE 328 Cb -0.02 0.19 0.08 0.00 -1.21 0.00 0.00 43.02 42.06 3ixd s PHE 328 CO 0.01 -0.45 -0.02 0.42 -1.34 0.00 0.00 175.22 173.84 3ixd s ILE 329 N -1.22 2.03 0.19 -4.49 1.01 0.21 -1.29 121.20 117.64 3ixd s ILE 329 Ca -0.12 -1.86 -0.11 0.00 0.00 0.00 0.00 60.65 58.55 3ixd s ILE 329 Cb -0.04 -2.34 0.11 0.00 0.01 0.00 0.00 42.46 40.21 3ixd s ILE 329 CO 0.06 -0.33 1.81 -0.65 0.00 0.00 0.00 174.94 175.83 3ixd h PRO 330 N 7.75 0.91 -0.91 2.79 0.11 -1.69 -2.43 132.00 138.54 3ixd h PRO 330 Ca -0.12 -0.10 0.16 0.00 0.11 0.00 0.00 66.00 66.05 3ixd h PRO 330 Cb 1.03 -0.18 -0.16 0.00 0.11 0.00 0.00 31.00 31.80 3ixd h PRO 330 CO 0.48 0.68 -0.33 1.49 -0.21 0.00 0.00 178.00 180.10 3ixd h GLU 331 N 0.90 -0.03 -0.31 1.05 4.81 -0.67 -0.07 114.58 120.27 3ixd h GLU 331 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3ixd h GLU 331 Cb 0.02 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3ixd h GLU 331 CO -0.04 -0.02 0.00 1.63 -0.73 0.00 0.00 179.01 179.85 3ixd n LYS 332 N -5.50 1.68 -4.25 1.92 4.76 -0.94 -4.92 118.16 110.91 3ixd n LYS 332 Ca 0.10 -1.01 -0.33 0.00 -2.87 0.00 0.00 58.31 54.21 3ixd n LYS 332 Cb 0.41 -1.24 -0.06 0.00 -1.84 0.00 0.00 35.03 32.30 3ixd n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3ixd n GLU 333 N 0.31 -1.86 -4.17 1.97 4.71 -0.04 -4.78 120.64 116.77 3ixd n GLU 333 Ca 0.09 0.23 -0.19 0.00 -0.01 0.00 0.00 57.16 57.28 3ixd n GLU 333 Cb 0.25 -4.28 -0.16 0.00 -1.01 0.00 0.00 31.44 26.24 3ixd n GLU 333 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3ixd s LEU 334 N -7.24 1.42 0.32 -4.62 2.96 -1.08 -3.30 118.68 107.13 3ixd s LEU 334 Ca 0.28 -0.12 -0.14 0.00 -0.22 0.00 0.00 54.13 53.93 3ixd s LEU 334 Cb -0.16 -0.42 0.02 0.00 0.50 0.00 0.00 46.19 46.13 3ixd s LEU 334 CO 0.97 -0.04 0.64 -0.83 -1.32 0.00 0.00 176.35 175.77 3ixd s GLY 335 N 0.77 0.52 -0.12 7.98 0.00 -0.79 0.66 107.32 116.33 3ixd s GLY 335 Ca -0.10 -0.83 -0.19 0.00 0.00 0.00 0.00 44.72 43.60 3ixd s GLY 335 CO 0.00 -0.47 0.48 -1.50 0.00 0.00 0.00 173.10 171.61 3ixd s ILE 336 N -3.22 0.01 -0.01 0.90 2.07 0.15 0.15 121.20 121.26 3ixd s ILE 336 Ca 0.19 -0.11 0.05 0.00 -1.41 0.00 0.00 60.65 59.37 3ixd s ILE 336 Cb -0.03 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 3ixd s ILE 336 CO 0.12 -0.06 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.23 3ixd s VAL 337 N -0.34 1.33 -0.13 4.00 1.01 -0.38 -1.92 120.40 123.97 3ixd s VAL 337 Ca -0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 3ixd s VAL 337 Cb -0.03 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.28 3ixd s VAL 337 CO 0.03 0.35 -0.02 -0.04 0.00 0.00 0.00 175.10 175.42 3ixd s MET 338 N -0.46 0.96 -0.09 2.72 -1.94 -0.53 -1.16 119.30 118.80 3ixd s MET 338 Ca 0.06 -0.22 0.03 0.00 -1.71 0.00 0.00 55.69 53.86 3ixd s MET 338 Cb -0.07 -1.58 -0.01 0.00 2.01 0.00 0.00 34.83 35.19 3ixd s MET 338 CO -0.00 -0.41 -0.20 -0.51 -0.01 0.00 0.00 175.02 173.89 3ixd s LEU 339 N 1.82 2.35 0.01 -0.03 1.43 0.07 -1.49 118.68 122.85 3ixd s LEU 339 Ca 0.03 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3ixd s LEU 339 Cb -0.14 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 3ixd s LEU 339 CO -0.07 0.21 -0.03 0.00 0.23 0.00 0.00 176.35 176.69 3ixd s ALA 340 N 0.08 0.21 -0.46 4.21 0.00 -0.72 -1.28 121.76 123.80 3ixd s ALA 340 Ca -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 3ixd s ALA 340 Cb -0.15 0.01 0.28 0.00 0.00 0.00 0.00 23.12 23.26 3ixd s ALA 340 CO 0.06 -0.01 2.08 0.27 0.00 0.00 0.00 175.76 178.16 3ixd n ASN 341 N 2.52 6.91 -3.73 0.00 6.94 -1.02 -1.53 115.26 125.35 3ixd n ASN 341 Ca -0.16 -3.34 -0.12 0.00 -0.02 0.00 0.00 54.58 50.94 3ixd n ASN 341 Cb 0.58 -1.05 -0.12 0.00 -2.36 0.00 0.00 39.78 36.83 3ixd n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3ixd s LYS 342 N -2.54 0.30 -0.79 -3.83 2.20 -0.74 -1.85 119.74 112.49 3ixd s LYS 342 Ca 0.45 0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 56.36 3ixd s LYS 342 Cb 0.35 -0.01 0.03 0.00 -1.51 0.00 0.00 37.83 36.69 3ixd s LYS 342 CO -0.04 -0.12 1.40 1.21 -0.36 0.00 0.00 175.35 177.44 3ixd s ASN 343 N 0.95 6.10 0.31 1.43 2.47 -1.25 -2.40 114.94 122.56 3ixd s ASN 343 Ca -0.06 -0.58 0.08 0.00 0.42 0.00 0.00 52.86 52.72 3ixd s ASN 343 Cb -0.07 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 37.13 3ixd s ASN 343 CO -0.07 -1.86 0.20 -0.72 -3.72 0.00 0.00 177.10 170.93 3ixd s TYR 344 N 6.08 2.86 0.46 0.43 -0.85 -1.26 -4.93 117.35 120.14 3ixd s TYR 344 Ca 0.42 -0.28 -0.25 0.00 -0.52 0.00 0.00 57.07 56.44 3ixd s TYR 344 Cb -0.07 -1.61 -0.08 0.00 0.38 0.00 0.00 41.96 40.58 3ixd s TYR 344 CO 0.10 0.34 1.40 -2.14 -1.52 0.00 0.00 175.55 173.74 3ixd s PRO 345 N -3.89 3.65 0.18 -3.49 0.02 -1.26 -4.92 135.00 125.30 3ixd s PRO 345 Ca 0.37 2.36 -0.13 0.00 0.02 0.00 0.00 61.00 63.62 3ixd s PRO 345 Cb -0.05 -2.62 0.17 0.00 0.02 0.00 0.00 34.50 32.02 3ixd s PRO 345 CO 0.24 -0.82 1.73 -0.91 -0.33 0.00 0.00 177.00 176.91 3ixd h ASN 346 N 2.26 0.09 0.18 2.53 2.35 -2.00 -2.80 115.58 118.19 3ixd h ASN 346 Ca -0.51 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 3ixd h ASN 346 Cb 1.27 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.71 3ixd h ASN 346 CO 0.61 0.08 -0.15 -0.65 -1.65 0.00 0.00 177.43 175.67 3ixd h PRO 347 N 0.28 0.00 -0.62 0.81 0.11 -1.91 0.12 132.00 130.78 3ixd h PRO 347 Ca 0.24 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.27 3ixd h PRO 347 Cb 0.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 3ixd h PRO 347 CO -0.28 0.15 0.09 0.00 -0.21 0.00 0.00 178.00 177.75 3ixd h ALA 348 N 1.85 0.98 -0.20 -0.75 0.00 -1.88 0.16 119.26 119.43 3ixd h ALA 348 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3ixd h ALA 348 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ixd h ALA 348 CO 0.02 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.96 3ixd h ARG 349 N 0.96 0.32 -0.09 0.00 3.08 -0.80 -1.66 114.38 116.18 3ixd h ARG 349 Ca 0.19 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3ixd h ARG 349 Cb 0.43 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3ixd h ARG 349 CO 0.01 0.44 0.04 0.28 -1.07 0.00 0.00 179.97 179.67 3ixd h VAL 350 N 0.14 1.12 -0.40 2.04 2.07 -0.94 0.12 116.25 120.40 3ixd h VAL 350 Ca 0.06 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3ixd h VAL 350 Cb 0.26 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3ixd h VAL 350 CO -0.00 0.10 0.11 0.44 0.02 0.00 0.00 177.57 178.24 3ixd h ASP 351 N 0.02 0.09 0.01 0.57 3.32 -0.98 0.36 116.42 119.80 3ixd h ASP 351 Ca 0.03 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ixd h ASP 351 Cb 0.12 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3ixd h ASP 351 CO -0.00 0.08 -0.00 0.00 -1.72 0.00 0.00 179.24 177.60 3ixd h ALA 352 N 1.28 -0.01 -0.80 3.45 0.00 -0.98 0.13 119.26 122.34 3ixd h ALA 352 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ixd h ALA 352 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3ixd h ALA 352 CO -0.22 -0.46 0.47 0.00 0.00 0.00 0.00 179.25 179.05 3ixd h ALA 353 N 0.89 1.02 -0.16 0.00 0.00 -0.52 -1.86 119.26 118.63 3ixd h ALA 353 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ixd h ALA 353 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ixd h ALA 353 CO 0.00 0.49 0.09 2.35 0.00 0.00 0.00 179.25 182.19 3ixd h TRP 354 N 1.09 0.21 -0.44 0.00 7.01 0.04 -2.06 115.95 121.80 3ixd h TRP 354 Ca 0.28 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.37 3ixd h TRP 354 Cb -0.03 -0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 26.88 3ixd h TRP 354 CO -0.00 0.19 -0.09 1.96 -2.79 0.00 0.00 178.44 177.70 3ixd h GLN 355 N 0.18 0.02 0.17 2.65 7.50 -0.54 -0.62 115.11 124.46 3ixd h GLN 355 Ca 0.06 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.20 3ixd h GLN 355 Cb 0.04 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.57 3ixd h GLN 355 CO -0.01 0.01 -0.08 0.82 -1.50 0.00 0.00 178.83 178.07 3ixd h ILE 356 N 0.02 0.91 -0.42 2.54 2.04 -1.07 -3.00 117.51 118.53 3ixd h ILE 356 Ca 0.21 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 3ixd h ILE 356 Cb 0.32 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3ixd h ILE 356 CO -0.44 0.08 -0.34 -0.07 0.00 0.00 0.00 178.15 177.38 3ixd h LEU 357 N -0.38 1.01 -0.51 1.44 3.38 -1.18 -2.76 115.31 116.31 3ixd h LEU 357 Ca -0.02 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.60 3ixd h LEU 357 Cb 0.30 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 3ixd h LEU 357 CO 0.04 1.24 0.06 -1.13 0.09 0.00 0.00 178.44 178.74 3ixd h ASN 358 N 0.79 -0.09 0.52 -0.43 -1.24 -1.16 -1.75 115.58 112.23 3ixd h ASN 358 Ca 0.08 0.11 -0.05 0.00 0.71 0.00 0.00 56.30 57.14 3ixd h ASN 358 Cb 0.93 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 40.13 3ixd h ASN 358 CO 0.09 -0.02 -0.24 0.00 -1.29 0.00 0.00 177.43 175.97 3ixd h ALA 359 N 1.43 1.23 -0.00 1.57 0.00 -1.37 -2.88 119.26 119.23 3ixd h ALA 359 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ixd h ALA 359 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ixd h ALA 359 CO -0.38 0.30 -0.37 1.28 0.00 0.00 0.00 179.25 180.08 3ixd n LEU 360 N -3.71 0.70 0.00 0.00 4.77 -0.71 -5.10 117.00 112.94 3ixd n LEU 360 Ca -0.01 -0.10 0.10 0.00 -0.03 0.00 0.00 56.01 55.97 3ixd n LEU 360 Cb 0.35 -0.20 0.61 0.00 -2.33 0.00 0.00 43.42 41.85 3ixd n LEU 360 CO 0.34 0.15 0.81 1.67 -1.33 0.00 0.00 177.39 179.02