#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 0.75 -0.31 0.00 -0.02 -1.26 -4.72 135.00 129.44 3ixd n PRO 5 Ca 0.00 0.27 -0.01 0.00 -2.02 0.00 0.00 63.50 61.74 3ixd n PRO 5 Cb 0.00 -1.53 0.12 0.00 -0.02 0.00 0.00 33.50 32.07 3ixd n PRO 5 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ixd h GLN 6 N 1.95 1.00 -0.37 -0.52 4.20 -2.05 -1.49 115.11 117.83 3ixd h GLN 6 Ca -0.37 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.36 3ixd h GLN 6 Cb 1.38 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 3ixd h GLN 6 CO 0.61 0.66 0.26 -0.56 -0.67 0.00 0.00 178.83 179.13 3ixd h GLN 7 N 1.03 0.16 0.09 1.46 -0.00 -1.99 0.16 115.11 116.01 3ixd h GLN 7 Ca 0.36 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.99 3ixd h GLN 7 Cb 0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 3ixd h GLN 7 CO -0.14 0.11 -0.04 0.82 -0.00 0.00 0.00 178.83 179.58 3ixd h ILE 8 N 0.17 0.81 -0.95 1.86 2.04 -1.65 -3.17 117.51 116.62 3ixd h ILE 8 Ca 0.17 -1.39 0.20 0.00 1.00 0.00 0.00 64.86 64.84 3ixd h ILE 8 Cb 0.45 1.46 -0.18 0.00 -0.74 0.00 0.00 36.82 37.81 3ixd h ILE 8 CO -0.03 0.25 -0.21 -1.13 0.00 0.00 0.00 178.15 177.04 3ixd h ASN 9 N -0.95 -0.83 0.52 1.72 -1.24 -1.04 -1.32 115.58 112.44 3ixd h ASN 9 Ca -0.01 0.28 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 3ixd h ASN 9 Cb 0.49 0.57 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 3ixd h ASN 9 CO 0.02 -0.32 -0.37 -0.78 -1.29 0.00 0.00 177.43 174.69 3ixd h ASP 10 N 0.00 -0.96 0.23 1.15 3.58 -0.79 -2.09 116.42 117.55 3ixd h ASP 10 Ca 0.47 0.06 -0.20 0.00 0.42 0.00 0.00 57.03 57.78 3ixd h ASP 10 Cb 0.75 0.30 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 3ixd h ASP 10 CO -0.97 -0.56 -0.81 -0.29 -2.88 0.00 0.00 179.24 173.74 3ixd h ILE 11 N -0.86 1.37 -0.05 2.25 6.09 -1.48 -2.29 117.51 122.55 3ixd h ILE 11 Ca -0.06 -2.22 -0.00 0.00 -1.37 0.00 0.00 64.86 61.21 3ixd h ILE 11 Cb 0.72 2.19 -0.00 0.00 0.47 0.00 0.00 36.82 40.21 3ixd h ILE 11 CO 0.03 0.67 0.03 0.58 -3.07 0.00 0.00 178.15 176.38 3ixd h VAL 12 N 0.30 1.06 -0.34 2.19 2.07 -1.25 0.78 116.25 121.05 3ixd h VAL 12 Ca -0.05 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.17 3ixd h VAL 12 Cb 1.41 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3ixd h VAL 12 CO 0.14 0.05 -0.36 0.45 0.02 0.00 0.00 177.57 177.86 3ixd h HIS 13 N 0.01 0.94 0.00 1.57 3.86 -1.42 0.16 115.15 120.27 3ixd h HIS 13 Ca 0.02 -0.27 -0.05 0.00 -1.16 0.00 0.00 60.37 58.91 3ixd h HIS 13 Cb 0.05 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 3ixd h HIS 13 CO -0.06 1.04 -0.24 0.00 0.86 0.00 0.00 177.93 179.53 3ixd h ARG 14 N 0.66 0.00 0.00 2.45 3.08 -1.31 -3.20 114.38 116.06 3ixd h ARG 14 Ca 0.06 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 3ixd h ARG 14 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 3ixd h ARG 14 CO 0.08 0.24 -1.24 2.41 -1.07 0.00 0.00 179.97 180.39 3ixd n THR 15 N -3.31 1.49 -0.01 2.04 -1.04 0.26 -4.49 114.28 109.21 3ixd n THR 15 Ca 0.01 0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.90 3ixd n THR 15 Cb 0.49 -2.18 -0.09 0.00 -1.82 0.00 0.00 70.33 66.73 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 -1.00 1.33 -0.75 12.58 1.08 -0.84 -3.15 117.51 126.76 3ixd h ILE 16 Ca -0.25 -1.01 0.13 0.00 -0.39 0.00 0.00 64.86 63.34 3ixd h ILE 16 Cb 1.07 1.96 -0.13 0.00 -3.07 0.00 0.00 36.82 36.64 3ixd h ILE 16 CO -0.15 0.27 -0.32 0.74 -0.69 0.00 0.00 178.15 178.00 3ixd h THR 17 N -0.35 0.13 0.00 -0.27 2.02 -1.71 0.20 112.91 112.93 3ixd h THR 17 Ca 0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 3ixd h THR 17 Cb 0.44 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3ixd h THR 17 CO 0.00 0.00 -0.32 1.55 0.37 0.00 0.00 175.52 177.13 3ixd h PRO 18 N -0.08 0.00 -0.62 6.66 0.13 -1.79 -2.61 132.00 133.69 3ixd h PRO 18 Ca 0.30 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.41 3ixd h PRO 18 Cb 0.57 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.67 3ixd h PRO 18 CO -0.80 0.32 0.31 1.25 -0.23 0.00 0.00 178.00 178.86 3ixd h LEU 19 N 0.00 0.79 -0.70 1.56 5.85 -0.66 0.04 115.31 122.19 3ixd h LEU 19 Ca -0.00 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3ixd h LEU 19 Cb 0.84 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3ixd h LEU 19 CO 0.04 0.69 0.46 0.40 -0.34 0.00 0.00 178.44 179.69 3ixd h ILE 20 N 0.84 1.18 -0.06 4.05 2.04 -0.75 -1.74 117.51 123.08 3ixd h ILE 20 Ca 0.21 -0.33 -0.19 0.00 1.00 0.00 0.00 64.86 65.55 3ixd h ILE 20 Cb 0.09 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3ixd h ILE 20 CO -0.03 0.17 -0.71 -0.08 0.00 0.00 0.00 178.15 177.51 3ixd h GLU 21 N 0.95 0.58 -0.87 2.37 4.57 -1.14 0.43 114.58 121.48 3ixd h GLU 21 Ca 0.26 -0.55 0.03 0.00 -1.18 0.00 0.00 59.36 57.92 3ixd h GLU 21 Cb -0.11 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 3ixd h GLU 21 CO -0.06 1.17 0.57 0.37 -1.18 0.00 0.00 179.01 179.88 3ixd h GLN 22 N 0.20 1.05 -0.01 1.92 4.15 -0.96 -2.98 115.11 118.49 3ixd h GLN 22 Ca -0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.29 3ixd h GLN 22 Cb 1.37 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.82 3ixd h GLN 22 CO 0.14 0.70 -0.73 1.04 -1.93 0.00 0.00 178.83 178.05 3ixd n GLN 23 N -4.44 0.57 -3.52 1.69 1.13 -0.66 -4.98 117.38 107.17 3ixd n GLN 23 Ca 0.11 -0.47 -0.19 0.00 -1.94 0.00 0.00 57.00 54.52 3ixd n GLN 23 Cb 0.10 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.03 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 -0.81 -5.94 -2.69 -1.09 5.02 0.14 -4.94 118.16 107.85 3ixd n LYS 24 Ca 0.07 0.77 -0.43 0.00 -2.02 0.00 0.00 58.31 56.70 3ixd n LYS 24 Cb 0.39 -5.62 -0.02 0.00 -0.02 0.00 0.00 35.03 29.76 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 -3.47 4.75 0.25 -0.18 1.01 -0.56 -4.95 121.20 118.06 3ixd s ILE 25 Ca 0.01 2.00 -0.04 0.00 0.00 0.00 0.00 60.65 62.63 3ixd s ILE 25 Cb -0.00 -4.30 0.14 0.00 0.01 0.00 0.00 42.46 38.31 3ixd s ILE 25 CO 0.76 -0.06 1.78 -0.65 0.00 0.00 0.00 174.94 176.77 3ixd h PRO 26 N 7.25 0.94 -2.73 2.79 0.11 -1.87 -3.46 132.00 135.03 3ixd h PRO 26 Ca -0.26 -0.21 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3ixd h PRO 26 Cb 1.11 -0.13 -0.21 0.00 0.11 0.00 0.00 31.00 31.88 3ixd h PRO 26 CO 0.90 0.85 -0.17 0.20 -0.21 0.00 0.00 178.00 179.56 3ixd s GLY 27 N -3.57 -0.29 -0.04 -0.55 0.00 -1.22 -0.80 107.32 100.85 3ixd s GLY 27 Ca -0.11 0.81 -0.13 0.00 0.00 0.00 0.00 44.72 45.30 3ixd s GLY 27 CO 0.82 0.59 0.28 -0.29 0.00 0.00 0.00 173.10 174.50 3ixd s MET 28 N -0.77 0.57 0.01 2.90 1.75 -0.47 -2.43 119.30 120.85 3ixd s MET 28 Ca -0.09 -0.07 0.05 0.00 -1.25 0.00 0.00 55.69 54.33 3ixd s MET 28 Cb -0.04 0.25 -0.02 0.00 2.84 0.00 0.00 34.83 37.87 3ixd s MET 28 CO 0.04 -0.14 -0.16 0.00 -0.65 0.00 0.00 175.02 174.12 3ixd s ALA 29 N -0.98 1.29 0.00 4.11 0.00 -0.55 -0.91 121.76 124.73 3ixd s ALA 29 Ca -0.10 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3ixd s ALA 29 Cb -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3ixd s ALA 29 CO 0.03 0.30 -0.13 0.08 0.00 0.00 0.00 175.76 176.04 3ixd s VAL 30 N -0.52 1.01 -0.04 0.00 1.01 0.35 -1.09 120.40 121.12 3ixd s VAL 30 Ca 0.05 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3ixd s VAL 30 Cb -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3ixd s VAL 30 CO 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 175.10 175.18 3ixd s ALA 31 N -0.44 1.22 -0.16 5.51 0.00 -0.19 -0.28 121.76 127.43 3ixd s ALA 31 Ca 0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3ixd s ALA 31 Cb -0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3ixd s ALA 31 CO -0.00 0.20 -0.09 0.08 0.00 0.00 0.00 175.76 175.95 3ixd s VAL 32 N 0.20 3.31 -0.33 0.00 1.01 -0.73 -0.30 120.40 123.56 3ixd s VAL 32 Ca -0.05 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 3ixd s VAL 32 Cb -0.11 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3ixd s VAL 32 CO 0.02 0.49 0.29 -0.63 0.00 0.00 0.00 175.10 175.26 3ixd s ILE 33 N 0.68 5.24 -0.12 2.22 1.09 0.14 -0.56 121.20 129.90 3ixd s ILE 33 Ca -0.04 -0.06 -0.01 0.00 -1.10 0.00 0.00 60.65 59.43 3ixd s ILE 33 Cb -0.15 -3.74 0.03 0.00 -1.06 0.00 0.00 42.46 37.54 3ixd s ILE 33 CO 0.02 -0.02 -0.06 -0.47 -0.10 0.00 0.00 174.94 174.32 3ixd s TYR 34 N 1.85 1.40 -1.36 3.97 5.04 0.03 -1.26 117.35 127.02 3ixd s TYR 34 Ca 0.09 -0.72 -0.02 0.00 -2.44 0.00 0.00 57.07 53.97 3ixd s TYR 34 Cb -0.17 -1.18 -0.00 0.00 0.35 0.00 0.00 41.96 40.96 3ixd s TYR 34 CO 0.11 -0.51 0.51 1.04 -1.34 0.00 0.00 175.55 175.37 3ixd n GLN 35 N 4.96 -3.46 -2.36 4.97 6.02 -1.20 -1.78 117.38 124.53 3ixd n GLN 35 Ca -0.12 0.46 -0.17 0.00 -0.01 0.00 0.00 57.00 57.16 3ixd n GLN 35 Cb 0.50 -4.63 -0.01 0.00 1.02 0.00 0.00 30.24 27.11 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 -1.86 -0.36 3.13 1.08 0.00 -1.25 -5.01 105.19 100.92 3ixd n GLY 36 Ca -0.29 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.94 0.94 0.09 1.61 1.02 -0.74 -5.14 119.74 112.59 3ixd s LYS 37 Ca 0.00 -0.68 -0.12 0.00 0.02 0.00 0.00 55.97 55.19 3ixd s LYS 37 Cb 0.00 -0.94 -0.06 0.00 -0.52 0.00 0.00 37.83 36.31 3ixd s LYS 37 CO 0.00 0.24 0.44 -1.25 -0.92 0.00 0.00 175.35 173.86 3ixd s PRO 38 N -0.94 3.84 -0.06 -1.68 0.04 -1.26 -0.79 135.00 134.16 3ixd s PRO 38 Ca 0.02 0.29 0.04 0.00 0.04 0.00 0.00 61.00 61.39 3ixd s PRO 38 Cb -0.07 -3.01 -0.00 0.00 0.04 0.00 0.00 34.50 31.46 3ixd s PRO 38 CO 0.01 0.56 -0.18 0.71 0.04 0.00 0.00 177.00 178.13 3ixd s TYR 39 N -1.37 1.85 -0.02 0.56 1.51 0.28 -4.97 117.35 115.18 3ixd s TYR 39 Ca 0.33 -0.60 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 3ixd s TYR 39 Cb -0.15 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 3ixd s TYR 39 CO 0.18 -0.22 -0.02 0.71 -1.11 0.00 0.00 175.55 175.09 3ixd s TYR 40 N 0.17 3.05 -0.01 2.71 2.02 -1.26 -1.77 117.35 122.26 3ixd s TYR 40 Ca -0.08 0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 3ixd s TYR 40 Cb -0.13 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 3ixd s TYR 40 CO 0.04 0.44 -0.04 -0.06 -1.57 0.00 0.00 175.55 174.36 3ixd s PHE 41 N -1.00 0.37 -0.00 2.71 0.40 0.61 -4.98 117.98 116.08 3ixd s PHE 41 Ca 0.17 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.45 3ixd s PHE 41 Cb -0.11 -0.26 -0.00 0.00 0.51 0.00 0.00 43.02 43.15 3ixd s PHE 41 CO 0.07 -0.02 -0.05 0.95 0.70 0.00 0.00 175.22 176.87 3ixd s THR 42 N 0.04 0.42 0.04 0.64 -4.23 -1.26 -0.50 115.64 110.79 3ixd s THR 42 Ca 0.00 -0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.30 3ixd s THR 42 Cb -0.03 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.42 3ixd s THR 42 CO -0.00 0.12 -0.07 0.26 -0.54 0.00 0.00 174.62 174.39 3ixd s TRP 43 N -0.11 0.59 0.00 3.99 0.51 -0.09 -5.01 118.94 118.82 3ixd s TRP 43 Ca 0.02 -0.54 0.00 0.00 -2.12 0.00 0.00 56.10 53.46 3ixd s TRP 43 Cb -0.02 -0.36 0.00 0.00 -0.81 0.00 0.00 33.47 32.28 3ixd s TRP 43 CO -0.00 -0.12 0.00 0.41 -0.51 0.00 0.00 176.95 176.73 3ixd n GLY 44 N 1.39 0.00 3.23 0.98 0.00 -1.26 -1.37 105.19 108.16 3ixd n GLY 44 Ca -0.22 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 2.30 0.15 1.61 1.51 0.02 -1.88 117.35 121.06 3ixd s TYR 45 Ca 0.00 -0.73 -0.04 0.00 -1.01 0.00 0.00 57.07 55.29 3ixd s TYR 45 Cb 0.00 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 3ixd s TYR 45 CO 0.00 -0.24 1.36 0.00 -1.11 0.00 0.00 175.55 175.56 3ixd h ALA 46 N 6.22 0.46 -3.33 3.71 0.00 -0.89 -3.22 119.26 122.21 3ixd h ALA 46 Ca -0.30 -0.65 -0.53 0.00 0.00 0.00 0.00 54.91 53.43 3ixd h ALA 46 Cb 1.19 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 18.55 3ixd h ALA 46 CO 0.47 0.78 -0.77 0.34 0.00 0.00 0.00 179.25 180.07 3ixd s ASP 47 N -7.04 2.96 0.02 0.00 -1.08 -1.08 -0.97 116.67 109.48 3ixd s ASP 47 Ca -0.06 -0.81 -0.26 0.00 -0.52 0.00 0.00 52.55 50.89 3ixd s ASP 47 Cb 0.10 -0.70 -0.16 0.00 -1.46 0.00 0.00 42.92 40.69 3ixd s ASP 47 CO 0.86 -0.28 1.27 0.40 0.52 0.00 0.00 175.17 177.94 3ixd h ILE 48 N 6.51 0.53 -0.85 4.11 2.04 -1.85 -1.83 117.51 126.18 3ixd h ILE 48 Ca -0.17 -0.45 0.19 0.00 1.00 0.00 0.00 64.86 65.43 3ixd h ILE 48 Cb 1.11 0.72 -0.11 0.00 -0.74 0.00 0.00 36.82 37.80 3ixd h ILE 48 CO 0.35 0.07 0.35 0.00 0.00 0.00 0.00 178.15 178.92 3ixd h ALA 49 N -0.41 1.28 -0.17 1.87 0.00 -1.98 -0.46 119.26 119.39 3ixd h ALA 49 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ixd h ALA 49 Cb 0.55 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ixd h ALA 49 CO 0.09 -0.29 0.00 1.63 0.00 0.00 0.00 179.25 180.69 3ixd n LYS 50 N -5.03 1.85 -2.43 0.00 5.02 -1.23 -4.93 118.16 111.41 3ixd n LYS 50 Ca 0.19 -1.27 -0.16 0.00 -2.02 0.00 0.00 58.31 55.05 3ixd n LYS 50 Cb 0.56 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.50 -2.00 -2.82 1.97 5.02 -0.18 -4.93 118.16 115.71 3ixd n LYS 51 Ca 0.17 0.77 -0.43 0.00 -2.02 0.00 0.00 58.31 56.81 3ixd n LYS 51 Cb 0.38 -5.40 -0.04 0.00 -0.02 0.00 0.00 35.03 29.95 3ixd n LYS 51 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3ixd s GLN 52 N -5.04 3.76 0.57 1.97 2.00 -0.73 -5.00 119.66 117.19 3ixd s GLN 52 Ca 0.00 0.46 -0.17 0.00 -2.00 0.00 0.00 55.36 53.65 3ixd s GLN 52 Cb -0.00 -3.83 -0.04 0.00 0.80 0.00 0.00 33.01 29.93 3ixd s GLN 52 CO 0.00 -1.00 1.07 -1.25 -0.50 0.00 0.00 175.29 173.61 3ixd s PRO 53 N 3.50 3.34 0.15 1.67 0.04 -1.26 -0.36 135.00 142.09 3ixd s PRO 53 Ca 0.37 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 3ixd s PRO 53 Cb -0.12 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3ixd s PRO 53 CO 0.20 -0.81 1.30 0.08 0.04 0.00 0.00 177.00 177.81 3ixd s VAL 54 N -2.22 3.43 0.46 -0.36 1.01 -0.79 -4.34 120.40 117.59 3ixd s VAL 54 Ca 0.66 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.77 3ixd s VAL 54 Cb -0.18 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3ixd s VAL 54 CO 0.32 0.13 0.07 0.42 0.00 0.00 0.00 175.10 176.04 3ixd s THR 55 N 0.53 0.85 -1.07 3.92 -4.23 -1.26 -4.73 115.64 109.64 3ixd s THR 55 Ca 0.59 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.21 3ixd s THR 55 Cb -0.35 -2.23 0.11 0.00 1.34 0.00 0.00 72.50 71.37 3ixd s THR 55 CO 0.34 0.00 1.35 0.00 -0.54 0.00 0.00 174.62 175.77 3ixd n GLN 56 N -1.10 0.03 0.00 3.99 6.02 -1.26 -2.31 117.38 122.75 3ixd n GLN 56 Ca -0.13 0.28 0.11 0.00 -0.01 0.00 0.00 57.00 57.26 3ixd n GLN 56 Cb 0.66 -1.50 0.11 0.00 1.02 0.00 0.00 30.24 30.53 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 -1.46 0.00 -2.08 -1.09 1.13 -1.26 -4.04 117.38 108.58 3ixd n GLN 57 Ca 0.03 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.68 3ixd n GLN 57 Cb 0.13 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.95 3ixd n GLN 57 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3ixd s THR 58 N -3.00 2.95 -0.04 5.09 2.01 -0.98 -4.85 115.64 116.83 3ixd s THR 58 Ca 0.10 0.73 -0.18 0.00 0.31 0.00 0.00 61.69 62.65 3ixd s THR 58 Cb 0.17 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 3ixd s THR 58 CO 0.76 0.08 0.49 -0.76 -0.69 0.00 0.00 174.62 174.51 3ixd s LEU 59 N 0.48 4.39 0.11 4.42 1.43 0.10 -4.05 118.68 125.57 3ixd s LEU 59 Ca 0.63 0.98 0.09 0.00 -1.03 0.00 0.00 54.13 54.80 3ixd s LEU 59 Cb -0.40 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3ixd s LEU 59 CO 0.35 0.14 -0.24 -0.36 0.23 0.00 0.00 176.35 176.48 3ixd s PHE 60 N -0.22 2.02 0.04 0.29 0.40 -0.24 -1.63 117.98 118.64 3ixd s PHE 60 Ca 0.27 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.89 3ixd s PHE 60 Cb -0.17 -1.11 -0.06 0.00 0.51 0.00 0.00 43.02 42.20 3ixd s PHE 60 CO 0.14 0.25 1.25 -1.21 0.70 0.00 0.00 175.22 176.35 3ixd s GLU 61 N -1.92 4.38 0.32 0.44 2.02 -1.26 -1.49 118.70 121.19 3ixd s GLU 61 Ca 0.10 1.82 0.23 0.00 0.02 0.00 0.00 54.97 57.14 3ixd s GLU 61 Cb -0.10 -3.40 0.33 0.00 0.10 0.00 0.00 34.13 31.06 3ixd s GLU 61 CO 0.05 -0.36 1.47 -0.07 0.02 0.00 0.00 175.26 176.37 3ixd h LEU 62 N 7.25 0.00 0.00 1.80 3.38 -1.50 -3.44 115.31 122.81 3ixd h LEU 62 Ca -0.40 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3ixd h LEU 62 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3ixd h LEU 62 CO 0.84 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.99 3ixd n GLY 63 N 1.17 3.07 0.00 0.83 0.00 -1.24 -2.21 105.19 106.82 3ixd n GLY 63 Ca 0.03 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 2.79 0.00 0.29 1.61 7.64 -1.26 -0.93 113.62 123.76 3ixd n SER 64 Ca 0.00 0.38 0.16 0.00 1.01 0.00 0.00 58.87 60.42 3ixd n SER 64 Cb 0.00 -0.43 0.85 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.31 -0.54 0.44 2.07 -1.50 -1.46 116.25 115.57 3ixd h VAL 65 Ca 0.00 -0.38 0.16 0.00 0.82 0.00 0.00 66.70 67.30 3ixd h VAL 65 Cb 0.17 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3ixd h VAL 65 CO 0.00 0.06 0.48 0.28 0.02 0.00 0.00 177.57 178.41 3ixd h SER 66 N 0.00 0.00 0.80 0.57 0.02 -1.22 0.04 113.55 113.76 3ixd h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ixd h SER 66 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3ixd h SER 66 CO 0.01 0.00 0.00 0.11 -1.14 0.00 0.00 176.83 175.81 3ixd h LYS 67 N 0.00 0.00 -0.08 3.45 1.57 -1.44 -1.76 116.57 118.31 3ixd h LYS 67 Ca 0.26 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 3ixd h LYS 67 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3ixd h LYS 67 CO -0.00 0.00 -0.30 1.79 -0.57 0.00 0.00 179.45 180.37 3ixd h THR 68 N 0.00 1.42 -0.61 -0.16 1.35 -1.17 0.45 112.91 114.18 3ixd h THR 68 Ca 0.00 -1.68 0.09 0.00 -0.55 0.00 0.00 66.41 64.28 3ixd h THR 68 Cb 0.40 2.28 -0.07 0.00 -1.73 0.00 0.00 68.15 69.03 3ixd h THR 68 CO 0.00 0.48 0.23 -0.26 -0.25 0.00 0.00 175.52 175.72 3ixd h PHE 69 N -0.15 0.40 0.04 4.73 0.04 -1.47 -0.14 116.94 120.39 3ixd h PHE 69 Ca -0.02 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3ixd h PHE 69 Cb 0.93 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.00 3ixd h PHE 69 CO 0.12 0.10 -0.02 1.15 -0.60 0.00 0.00 178.31 179.06 3ixd h THR 70 N 0.41 1.01 -0.26 -1.55 2.02 -1.12 0.28 112.91 113.71 3ixd h THR 70 Ca 0.31 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.36 3ixd h THR 70 Cb 0.38 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 3ixd h THR 70 CO -0.31 0.04 0.00 1.23 0.37 0.00 0.00 175.52 176.85 3ixd h GLY 71 N -0.13 0.25 1.10 2.16 0.00 -0.61 0.23 103.07 106.07 3ixd h GLY 71 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 3ixd h GLY 71 CO 0.01 -0.05 0.41 -2.08 0.00 0.00 0.00 176.54 174.83 3ixd h VAL 72 N 0.08 1.25 -0.54 4.60 2.07 -0.77 0.35 116.25 123.28 3ixd h VAL 72 Ca 0.12 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3ixd h VAL 72 Cb 0.16 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3ixd h VAL 72 CO -0.20 0.29 0.21 0.25 0.02 0.00 0.00 177.57 178.14 3ixd h LEU 73 N 1.16 0.76 -1.20 2.57 5.85 -0.20 0.65 115.31 124.90 3ixd h LEU 73 Ca 0.29 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3ixd h LEU 73 Cb 0.08 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3ixd h LEU 73 CO -0.04 0.73 0.55 1.23 -0.34 0.00 0.00 178.44 180.57 3ixd h GLY 74 N 0.74 1.18 1.03 3.75 0.00 0.02 -1.79 103.07 108.00 3ixd h GLY 74 Ca 0.18 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 3ixd h GLY 74 CO -0.01 0.38 -0.28 -1.33 0.00 0.00 0.00 176.54 175.29 3ixd h GLY 75 N 1.07 0.88 2.00 4.60 0.00 0.13 -1.98 103.07 109.77 3ixd h GLY 75 Ca 0.32 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 3ixd h GLY 75 CO -0.09 0.78 -0.01 -1.80 0.00 0.00 0.00 176.54 175.42 3ixd h ASP 76 N 0.59 0.00 0.79 0.19 3.58 0.60 -1.67 116.42 120.50 3ixd h ASP 76 Ca 0.06 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.27 3ixd h ASP 76 Cb 0.85 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 3ixd h ASP 76 CO 0.07 0.01 -1.14 0.00 -2.88 0.00 0.00 179.24 175.30 3ixd h ALA 77 N 1.99 0.20 -0.29 -0.78 0.00 -0.61 -2.56 119.26 117.22 3ixd h ALA 77 Ca -0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 54.91 53.92 3ixd h ALA 77 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ixd h ALA 77 CO 0.00 1.09 -0.18 0.82 0.00 0.00 0.00 179.25 180.98 3ixd h ILE 78 N 0.04 1.30 -0.95 0.00 2.04 -0.81 -1.00 117.51 118.13 3ixd h ILE 78 Ca -0.08 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 64.50 3ixd h ILE 78 Cb 1.89 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 39.44 3ixd h ILE 78 CO 0.17 0.42 0.63 0.00 0.00 0.00 0.00 178.15 179.36 3ixd h ALA 79 N 0.73 1.36 0.00 1.87 0.00 -1.36 -0.04 119.26 121.82 3ixd h ALA 79 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ixd h ALA 79 Cb 0.72 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ixd h ALA 79 CO 0.05 0.57 0.00 0.54 0.00 0.00 0.00 179.25 180.41 3ixd n ARG 80 N -4.42 0.16 -1.11 0.00 1.74 -0.97 -4.88 116.66 107.19 3ixd n ARG 80 Ca 0.12 0.18 -0.04 0.00 -0.77 0.00 0.00 57.85 57.34 3ixd n ARG 80 Cb 0.06 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 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 -0.15 0.58 0.13 -0.13 0.00 -0.03 -4.94 105.19 100.66 3ixd n GLY 81 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 0.29 0.07 -4.05 1.61 5.08 -1.38 -3.47 114.58 112.74 3ixd h GLU 82 Ca -0.08 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 3ixd h GLU 82 Cb 0.63 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.75 3ixd h GLU 82 CO 0.12 0.77 -0.55 0.96 -1.00 0.00 0.00 179.01 179.30 3ixd s ILE 83 N -3.41 0.18 -0.03 3.13 -4.36 -1.23 -4.81 121.20 110.67 3ixd s ILE 83 Ca -0.02 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 58.88 3ixd s ILE 83 Cb 0.12 -1.40 0.00 0.00 1.25 0.00 0.00 42.46 42.43 3ixd s ILE 83 CO 0.79 -0.84 -0.10 -0.54 0.24 0.00 0.00 174.94 174.49 3ixd s LYS 84 N -3.79 1.16 0.56 0.37 1.02 -1.26 -4.42 119.74 113.39 3ixd s LYS 84 Ca 0.05 -0.36 0.35 0.00 0.02 0.00 0.00 55.97 56.04 3ixd s LYS 84 Cb 0.06 -1.05 1.48 0.00 -0.52 0.00 0.00 37.83 37.80 3ixd s LYS 84 CO -0.10 0.12 1.74 -0.07 -0.92 0.00 0.00 175.35 176.11 3ixd h LEU 85 N 6.46 0.00 -0.31 3.17 3.38 -1.99 0.45 115.31 126.47 3ixd h LEU 85 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3ixd h LEU 85 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ixd h LEU 85 CO 0.48 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.78 3ixd h SER 86 N 0.00 0.00 -2.32 -0.43 4.64 -1.96 -0.59 113.55 112.89 3ixd h SER 86 Ca 0.53 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.24 3ixd h SER 86 Cb 2.31 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 64.47 3ixd h SER 86 CO -0.01 0.00 0.53 0.47 -0.87 0.00 0.00 176.83 176.96 3ixd n ASP 87 N -2.40 2.32 -4.73 4.97 8.00 0.16 -4.72 116.55 120.14 3ixd n ASP 87 Ca 0.04 1.13 -0.33 0.00 0.71 0.00 0.00 54.79 56.34 3ixd n ASP 87 Cb 0.37 -1.35 0.09 0.00 -0.02 0.00 0.00 41.12 40.21 3ixd n ASP 87 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3ixd s PRO 88 N -0.11 2.24 0.22 -0.24 0.04 -1.26 -1.41 135.00 134.47 3ixd s PRO 88 Ca 0.73 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 3ixd s PRO 88 Cb -0.74 -1.86 0.24 0.00 0.04 0.00 0.00 34.50 32.18 3ixd s PRO 88 CO 0.48 -1.72 1.84 1.15 0.04 0.00 0.00 177.00 178.79 3ixd h THR 89 N -0.40 1.05 0.00 1.26 2.02 -1.07 -2.62 112.91 113.15 3ixd h THR 89 Ca -0.47 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3ixd h THR 89 Cb 1.27 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3ixd h THR 89 CO 0.50 0.16 0.00 0.71 0.37 0.00 0.00 175.52 177.26 3ixd h THR 90 N 0.85 0.00 -0.26 3.16 1.35 -1.81 -0.79 112.91 115.41 3ixd h THR 90 Ca 0.31 -0.11 -0.03 0.00 -0.55 0.00 0.00 66.41 66.03 3ixd h THR 90 Cb 0.10 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 3ixd h THR 90 CO -0.14 0.00 0.01 0.50 -0.25 0.00 0.00 175.52 175.63 3ixd h LYS 91 N 0.00 0.38 -0.01 4.72 3.64 -1.84 -2.72 116.57 120.75 3ixd h LYS 91 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3ixd h LYS 91 Cb 0.14 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3ixd h LYS 91 CO 0.00 0.41 -0.45 0.66 -2.27 0.00 0.00 179.45 177.79 3ixd n TYR 92 N -4.34 0.00 -3.22 1.91 4.02 -0.34 -4.64 117.16 110.55 3ixd n TYR 92 Ca 0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 3ixd n TYR 92 Cb 0.20 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.45 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 -0.66 -1.58 0.29 -0.72 -0.00 -0.98 -4.98 117.44 108.81 3ixd n TRP 93 Ca 0.05 -2.87 0.18 0.00 -0.00 0.00 0.00 57.50 54.85 3ixd n TRP 93 Cb 0.27 0.51 0.97 0.00 -0.00 0.00 0.00 31.31 33.06 3ixd n TRP 93 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3ixd h PRO 94 N 5.30 0.00 0.00 5.87 0.13 -1.74 -1.84 132.00 139.72 3ixd h PRO 94 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3ixd h PRO 94 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3ixd h PRO 94 CO 0.30 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.46 3ixd n GLU 95 N -3.54 0.23 -2.47 0.86 4.71 -1.26 -4.03 120.64 115.14 3ixd n GLU 95 Ca -0.02 0.13 -0.43 0.00 -0.01 0.00 0.00 57.16 56.83 3ixd n GLU 95 Cb 0.17 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 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 -1.30 6.27 0.11 -4.62 7.94 -0.69 -4.73 117.00 119.98 3ixd n LEU 96 Ca 0.08 -4.56 0.12 0.00 -1.11 0.00 0.00 56.01 50.54 3ixd n LEU 96 Cb 0.14 -1.53 0.11 0.00 0.53 0.00 0.00 43.42 42.68 3ixd n LEU 96 CO 0.13 1.18 0.33 0.71 -1.11 0.00 0.00 177.39 178.63 3ixd h THR 97 N 4.02 0.00 -3.46 1.96 1.35 -1.86 -3.46 112.91 111.45 3ixd h THR 97 Ca 0.39 -0.81 -0.55 0.00 -0.55 0.00 0.00 66.41 64.88 3ixd h THR 97 Cb 0.70 1.47 0.10 0.00 -1.73 0.00 0.00 68.15 68.68 3ixd h THR 97 CO 1.54 0.00 0.74 0.00 -0.25 0.00 0.00 175.52 177.55 3ixd n ALA 98 N -2.03 2.10 0.23 6.62 0.00 -1.26 -4.88 120.51 121.28 3ixd n ALA 98 Ca 0.02 0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.89 3ixd n ALA 98 Cb 0.51 -2.39 0.56 0.00 0.00 0.00 0.00 19.45 18.12 3ixd n ALA 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3ixd h LYS 99 N 3.62 0.02 0.00 0.00 2.10 -1.93 -1.73 116.57 118.64 3ixd h LYS 99 Ca -0.48 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3ixd h LYS 99 Cb 1.25 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3ixd h LYS 99 CO 0.70 0.11 0.14 -0.56 -2.00 0.00 0.00 179.45 177.84 3ixd h GLN 100 N 0.02 0.00 -0.00 0.07 -0.00 -1.94 0.14 115.11 113.40 3ixd h GLN 100 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3ixd h GLN 100 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 3ixd h GLN 100 CO 0.01 0.00 -0.13 0.91 -0.00 0.00 0.00 178.83 179.62 3ixd n TRP 101 N -2.91 0.00 -1.68 0.06 7.02 -0.65 -4.77 117.44 114.51 3ixd n TRP 101 Ca -0.02 0.00 -0.50 0.00 -1.02 0.00 0.00 57.50 55.96 3ixd n TRP 101 Cb 0.20 -0.32 -0.05 0.00 -2.42 0.00 0.00 31.31 28.72 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 -1.29 3.19 0.00 -0.99 5.03 0.49 -1.00 115.26 120.69 3ixd n ASN 102 Ca 0.10 1.00 0.00 0.00 0.87 0.00 0.00 54.58 56.56 3ixd n ASN 102 Cb 0.30 -1.33 0.00 0.00 -1.02 0.00 0.00 39.78 37.73 3ixd n ASN 102 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ixd n GLY 103 N 4.23 0.79 3.68 7.41 0.00 -1.26 -5.03 105.19 115.01 3ixd n GLY 103 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.18 4.86 0.45 -0.61 1.01 -0.17 -5.00 121.20 118.55 3ixd s ILE 104 Ca 0.00 1.76 0.07 0.00 0.00 0.00 0.00 60.65 62.48 3ixd s ILE 104 Cb 0.00 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 3ixd s ILE 104 CO 0.00 0.03 0.27 0.42 0.00 0.00 0.00 174.94 175.66 3ixd s THR 105 N 2.03 2.14 0.30 2.92 -4.23 -1.26 -0.50 115.64 117.03 3ixd s THR 105 Ca 0.42 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 3ixd s THR 105 Cb -0.17 -2.72 0.25 0.00 1.34 0.00 0.00 72.50 71.20 3ixd s THR 105 CO 0.14 0.00 1.96 -0.07 -0.54 0.00 0.00 174.62 176.12 3ixd h LEU 106 N 1.16 0.93 -0.05 4.79 3.38 -1.09 -2.24 115.31 122.19 3ixd h LEU 106 Ca -0.41 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.56 3ixd h LEU 106 Cb 1.27 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 3ixd h LEU 106 CO 0.64 0.69 -0.41 0.25 0.09 0.00 0.00 178.44 179.69 3ixd h LEU 107 N 1.09 -1.27 -0.43 1.67 5.85 -1.38 0.13 115.31 120.96 3ixd h LEU 107 Ca 0.29 0.16 0.09 0.00 0.84 0.00 0.00 57.88 59.26 3ixd h LEU 107 Cb -0.10 0.51 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 3ixd h LEU 107 CO -0.06 -0.44 -0.21 0.45 -0.34 0.00 0.00 178.44 177.84 3ixd h HIS 108 N -0.54 -0.53 -0.26 1.25 3.86 -1.74 -0.50 115.15 116.69 3ixd h HIS 108 Ca 0.06 0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.36 3ixd h HIS 108 Cb 0.64 0.30 -0.04 0.00 1.06 0.00 0.00 27.41 29.37 3ixd h HIS 108 CO -0.44 -0.29 -0.01 -0.07 0.86 0.00 0.00 177.93 177.97 3ixd h LEU 109 N -0.12 -0.13 -1.44 2.43 3.38 -0.78 -0.99 115.31 117.66 3ixd h LEU 109 Ca 0.21 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3ixd h LEU 109 Cb 0.45 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3ixd h LEU 109 CO -0.51 -0.03 -0.15 0.00 0.09 0.00 0.00 178.44 177.83 3ixd h ALA 110 N 1.23 1.54 -0.30 1.53 0.00 0.12 -3.02 119.26 120.37 3ixd h ALA 110 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ixd h ALA 110 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ixd h ALA 110 CO -0.22 0.33 0.00 0.25 0.00 0.00 0.00 179.25 179.61 3ixd n THR 111 N -4.28 0.47 -2.20 0.00 -2.24 -0.28 -4.68 114.28 101.07 3ixd n THR 111 Ca -0.01 -0.73 -0.15 0.00 -2.27 0.00 0.00 64.05 60.88 3ixd n THR 111 Cb 0.27 0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.20 -0.64 -1.08 4.78 4.01 -0.64 -4.78 117.16 120.00 3ixd n TYR 112 Ca 0.16 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.97 3ixd n TYR 112 Cb 0.53 -3.10 0.23 0.00 -0.31 0.00 0.00 39.34 36.69 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 -3.86 2.25 0.38 -0.72 -2.24 -0.47 -1.17 114.28 108.46 3ixd n THR 113 Ca -0.18 -2.10 0.08 0.00 -2.27 0.00 0.00 64.05 59.59 3ixd n THR 113 Cb 0.62 -0.26 0.35 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.79 1.54 0.00 6.98 0.00 -1.23 -0.04 120.51 126.97 3ixd n ALA 114 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3ixd n ALA 114 Cb 0.86 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.27 0.76 2.03 0.00 0.00 -1.26 -3.96 105.19 102.48 3ixd n GLY 115 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.18 3.77 -0.02 0.00 -1.26 -1.19 105.19 106.67 3ixd n GLY 116 Ca 0.00 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.65 4.23 0.72 0.99 1.43 -1.26 -4.56 118.68 116.58 3ixd s LEU 117 Ca 0.05 2.84 -0.12 0.00 -1.03 0.00 0.00 54.13 55.87 3ixd s LEU 117 Cb -0.02 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.40 3ixd s LEU 117 CO 0.29 -0.92 1.08 -2.16 0.23 0.00 0.00 176.35 174.87 3ixd s PRO 118 N -2.22 2.60 0.25 1.29 0.04 -1.26 -4.74 135.00 130.97 3ixd s PRO 118 Ca 0.56 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 3ixd s PRO 118 Cb -0.42 -1.94 0.50 0.00 0.04 0.00 0.00 34.50 32.68 3ixd s PRO 118 CO 0.55 -1.37 1.70 1.25 0.04 0.00 0.00 177.00 179.17 3ixd h LEU 119 N -0.69 0.13 -8.24 -3.56 5.85 -1.94 -3.30 115.31 103.56 3ixd h LEU 119 Ca -0.44 0.14 -0.48 0.00 0.84 0.00 0.00 57.88 57.93 3ixd h LEU 119 Cb 1.23 0.16 -0.28 0.00 0.37 0.00 0.00 40.66 42.13 3ixd h LEU 119 CO 0.54 0.01 -0.81 -1.10 -0.34 0.00 0.00 178.44 176.74 3ixd s GLN 120 N -6.02 1.10 0.16 1.25 -1.52 -1.26 -0.77 119.66 112.60 3ixd s GLN 120 Ca -0.12 -0.56 -0.32 0.00 -1.95 0.00 0.00 55.36 52.40 3ixd s GLN 120 Cb 0.22 -1.08 -0.12 0.00 -0.22 0.00 0.00 33.01 31.81 3ixd s GLN 120 CO 0.76 0.29 1.77 0.28 -0.25 0.00 0.00 175.29 178.15 3ixd n VAL 121 N 2.54 0.19 -1.69 1.09 0.31 -1.26 -4.83 118.33 114.69 3ixd n VAL 121 Ca -0.15 -0.03 -0.40 0.00 -0.01 0.00 0.00 64.34 63.75 3ixd n VAL 121 Cb 0.55 -2.02 0.03 0.00 -0.91 0.00 0.00 33.84 31.49 3ixd n VAL 121 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ixd n PRO 122 N 4.81 1.61 -0.04 5.55 -0.02 -1.26 -4.89 135.00 140.76 3ixd n PRO 122 Ca 0.17 0.58 0.19 0.00 -2.02 0.00 0.00 63.50 62.42 3ixd n PRO 122 Cb 0.35 -2.35 0.64 0.00 -0.02 0.00 0.00 33.50 32.12 3ixd n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ixd h ASP 123 N 1.56 0.11 0.62 2.55 3.32 -2.03 -2.23 116.42 120.32 3ixd h ASP 123 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3ixd h ASP 123 Cb 1.31 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3ixd h ASP 123 CO 0.57 0.06 0.00 -1.84 -1.72 0.00 0.00 179.24 176.31 3ixd n GLU 124 N -4.41 0.12 -2.56 3.56 0.00 -1.26 -4.67 120.64 111.42 3ixd n GLU 124 Ca 0.11 0.11 -0.43 0.00 0.00 0.00 0.00 57.16 56.95 3ixd n GLU 124 Cb 0.57 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.49 3ixd n GLU 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3ixd s VAL 125 N -2.84 4.21 -0.01 3.84 1.01 -0.84 -4.83 120.40 120.94 3ixd s VAL 125 Ca 0.14 1.28 -0.00 0.00 0.00 0.00 0.00 61.98 63.40 3ixd s VAL 125 Cb 0.14 -4.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 3ixd s VAL 125 CO 0.37 -0.84 -0.01 0.29 0.00 0.00 0.00 175.10 174.92 3ixd n LYS 126 N 7.67 0.01 -2.24 2.72 4.76 -1.26 -4.33 118.16 125.49 3ixd n LYS 126 Ca 0.13 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.32 3ixd n LYS 126 Cb 0.48 -0.55 0.06 0.00 -1.84 0.00 0.00 35.03 33.19 3ixd n LYS 126 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ixd s SER 127 N -4.98 4.89 0.53 4.39 1.04 -1.26 -4.94 113.70 113.36 3ixd s SER 127 Ca -0.01 0.45 0.34 0.00 0.48 0.00 0.00 55.95 57.21 3ixd s SER 127 Cb 0.00 -1.13 1.49 0.00 0.10 0.00 0.00 66.02 66.48 3ixd s SER 127 CO 0.01 -1.54 2.00 0.77 0.98 0.00 0.00 173.24 175.46 3ixd h SER 128 N -0.54 0.00 0.79 7.02 4.64 -2.00 -2.24 113.55 121.23 3ixd h SER 128 Ca -0.44 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.79 3ixd h SER 128 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 3ixd h SER 128 CO 0.60 0.00 -1.27 -1.54 -0.87 0.00 0.00 176.83 173.75 3ixd n SER 129 N -2.96 0.80 -0.22 4.97 3.41 -1.26 -2.60 113.62 115.76 3ixd n SER 129 Ca 0.00 0.33 -0.07 0.00 -0.26 0.00 0.00 58.87 58.87 3ixd n SER 129 Cb 0.25 0.40 0.03 0.00 -0.26 0.00 0.00 64.21 64.63 3ixd n SER 129 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ixd h ASP 130 N 0.00 0.85 -0.25 4.04 3.32 -1.78 -1.95 116.42 120.64 3ixd h ASP 130 Ca -0.09 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 3ixd h ASP 130 Cb 1.30 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3ixd h ASP 130 CO 0.02 0.78 -0.06 0.25 -1.72 0.00 0.00 179.24 178.51 3ixd h LEU 131 N 0.86 0.49 -0.80 1.55 6.46 -1.50 -0.83 115.31 121.54 3ixd h LEU 131 Ca 0.21 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3ixd h LEU 131 Cb 0.19 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 3ixd h LEU 131 CO -0.02 0.75 0.52 0.25 -0.62 0.00 0.00 178.44 179.32 3ixd h LEU 132 N 0.23 0.93 -1.05 2.25 5.85 -1.52 -1.99 115.31 120.02 3ixd h LEU 132 Ca 0.06 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3ixd h LEU 132 Cb 0.53 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3ixd h LEU 132 CO 0.03 0.69 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.63 3ixd h ARG 133 N 1.09 0.57 0.15 1.25 2.43 -1.09 -0.61 114.38 118.16 3ixd h ARG 133 Ca 0.29 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3ixd h ARG 133 Cb -0.10 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3ixd h ARG 133 CO -0.06 0.66 -0.07 0.35 -1.51 0.00 0.00 179.97 179.34 3ixd h PHE 134 N 0.52 -0.18 -0.19 2.20 3.57 -0.81 -2.36 116.94 119.70 3ixd h PHE 134 Ca 0.10 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 3ixd h PHE 134 Cb 0.49 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3ixd h PHE 134 CO 0.02 0.08 -0.37 1.88 -2.23 0.00 0.00 178.31 177.69 3ixd h TYR 135 N -0.44 0.47 -0.39 0.41 0.05 -1.27 -1.82 116.97 113.99 3ixd h TYR 135 Ca -0.02 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.58 3ixd h TYR 135 Cb 0.34 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3ixd h TYR 135 CO 0.00 0.72 0.01 1.96 -1.05 0.00 0.00 178.16 179.81 3ixd h GLN 136 N 0.35 0.62 -0.01 4.88 1.08 -1.11 -3.09 115.11 117.83 3ixd h GLN 136 Ca 0.04 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3ixd h GLN 136 Cb 0.81 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 3ixd h GLN 136 CO 0.06 0.63 -0.51 0.09 -0.95 0.00 0.00 178.83 178.15 3ixd n ASN 137 N -4.26 1.39 -4.74 1.46 5.03 -0.89 -4.84 115.26 108.41 3ixd n ASN 137 Ca 0.02 -1.11 -0.41 0.00 0.87 0.00 0.00 54.58 53.95 3ixd n ASN 137 Cb 0.26 0.45 -0.03 0.00 -1.02 0.00 0.00 39.78 39.44 3ixd n ASN 137 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 3ixd s TRP 138 N -2.63 3.29 -0.16 3.10 -0.00 -0.70 -5.03 118.94 116.81 3ixd s TRP 138 Ca 0.17 1.34 0.00 0.00 -0.00 0.00 0.00 56.10 57.62 3ixd s TRP 138 Cb 0.18 -3.55 0.00 0.00 -0.00 0.00 0.00 33.47 30.10 3ixd s TRP 138 CO 0.62 -1.61 -0.16 -0.65 -0.00 0.00 0.00 176.95 175.15 3ixd s GLN 139 N -0.53 3.18 0.43 5.86 -1.52 -1.26 -4.98 119.66 120.83 3ixd s GLN 139 Ca 0.53 -0.76 -0.24 0.00 -1.95 0.00 0.00 55.36 52.94 3ixd s GLN 139 Cb -0.36 -2.62 -0.10 0.00 -0.22 0.00 0.00 33.01 29.71 3ixd s GLN 139 CO 0.40 -0.02 1.09 -2.30 -0.25 0.00 0.00 175.29 174.21 3ixd n PRO 140 N 4.16 1.51 0.08 2.91 -0.02 -1.26 -4.88 135.00 137.50 3ixd n PRO 140 Ca -0.19 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 3ixd n PRO 140 Cb 0.51 -2.15 0.22 0.00 -0.02 0.00 0.00 33.50 32.06 3ixd n PRO 140 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ixd h ALA 141 N 1.67 0.69 -2.80 3.55 0.00 -1.39 -3.48 119.26 117.50 3ixd h ALA 141 Ca -0.46 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.52 3ixd h ALA 141 Cb 1.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3ixd h ALA 141 CO 0.58 0.00 0.37 1.67 0.00 0.00 0.00 179.25 181.86 3ixd s TRP 142 N -3.17 0.02 0.23 0.00 -2.14 -1.25 -5.04 118.94 107.59 3ixd s TRP 142 Ca 0.07 -0.54 -0.30 0.00 2.66 0.00 0.00 56.10 57.99 3ixd s TRP 142 Cb 0.12 0.76 -0.10 0.00 -3.10 0.00 0.00 33.47 31.15 3ixd s TRP 142 CO 0.69 -1.26 1.43 0.00 -2.66 0.00 0.00 176.95 175.16 3ixd s ALA 143 N -2.71 3.63 0.55 2.67 0.00 -1.26 -4.52 121.76 120.12 3ixd s ALA 143 Ca 0.16 1.29 -0.20 0.00 0.00 0.00 0.00 51.96 53.21 3ixd s ALA 143 Cb -0.04 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 3ixd s ALA 143 CO 0.08 -0.71 0.90 -2.30 0.00 0.00 0.00 175.76 173.73 3ixd n PRO 144 N 2.64 0.96 -1.00 0.00 -0.02 -1.25 -2.99 135.00 133.34 3ixd n PRO 144 Ca 0.08 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3ixd n PRO 144 Cb 0.40 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3ixd n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ixd n GLY 145 N 1.34 0.49 0.00 -1.23 0.00 0.95 -4.88 105.19 101.86 3ixd n GLY 145 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.93 0.00 -3.63 2.61 -2.24 -1.16 -4.86 114.28 102.08 3ixd n THR 146 Ca 0.00 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 3ixd n THR 146 Cb 0.02 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.03 0.62 0.13 -0.78 0.74 -1.26 -4.81 119.66 112.27 3ixd s GLN 147 Ca -0.00 1.13 -0.28 0.00 0.05 0.00 0.00 55.36 56.25 3ixd s GLN 147 Cb 0.00 0.23 -0.07 0.00 1.10 0.00 0.00 33.01 34.28 3ixd s GLN 147 CO 0.02 -0.14 0.90 0.50 -0.55 0.00 0.00 175.29 176.01 3ixd s ARG 148 N 1.77 4.68 -0.07 1.67 3.52 -1.26 -4.54 118.95 124.71 3ixd s ARG 148 Ca -0.09 1.35 -0.02 0.00 -0.13 0.00 0.00 55.73 56.84 3ixd s ARG 148 Cb -0.06 -3.34 0.04 0.00 -1.56 0.00 0.00 34.95 30.03 3ixd s ARG 148 CO -0.19 0.32 0.06 -1.17 -0.81 0.00 0.00 175.30 173.51 3ixd s LEU 149 N -0.36 0.27 0.23 -0.88 2.96 -0.32 -5.00 118.68 115.58 3ixd s LEU 149 Ca 0.43 -0.09 -0.31 0.00 -0.22 0.00 0.00 54.13 53.95 3ixd s LEU 149 Cb -0.23 -0.21 -0.11 0.00 0.50 0.00 0.00 46.19 46.14 3ixd s LEU 149 CO 0.28 -0.26 1.56 -0.47 -1.32 0.00 0.00 176.35 176.15 3ixd s TYR 150 N 2.13 2.93 -0.25 5.38 6.14 -1.26 -4.73 117.35 127.69 3ixd s TYR 150 Ca 0.04 0.74 -0.14 0.00 0.64 0.00 0.00 57.07 58.36 3ixd s TYR 150 Cb -0.13 -3.97 0.08 0.00 0.42 0.00 0.00 41.96 38.36 3ixd s TYR 150 CO -0.04 -3.40 0.61 0.00 0.64 0.00 0.00 175.55 173.36 3ixd s ALA 151 N 0.48 -1.66 0.24 3.97 0.00 -1.26 -4.46 121.76 119.07 3ixd s ALA 151 Ca 0.66 2.17 -0.04 0.00 0.00 0.00 0.00 51.96 54.75 3ixd s ALA 151 Cb -0.45 -1.32 0.27 0.00 0.00 0.00 0.00 23.12 21.62 3ixd s ALA 151 CO 0.40 -0.39 1.73 -0.91 0.00 0.00 0.00 175.76 176.59 3ixd h ASN 152 N 7.12 0.84 0.66 0.00 2.35 -1.08 -2.75 115.58 122.71 3ixd h ASN 152 Ca -0.31 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3ixd h ASN 152 Cb 1.21 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.35 3ixd h ASN 152 CO 0.19 0.90 0.00 -1.54 -1.65 0.00 0.00 177.43 175.33 3ixd n SER 153 N -4.21 0.63 -0.06 5.81 3.41 -1.24 0.08 113.62 118.03 3ixd n SER 153 Ca 0.03 0.66 -0.03 0.00 -0.26 0.00 0.00 58.87 59.27 3ixd n SER 153 Cb 0.31 -0.79 -0.01 0.00 -0.26 0.00 0.00 64.21 63.46 3ixd n SER 153 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3ixd h SER 154 N 0.00 0.00 0.71 4.04 0.87 -1.75 -3.26 113.55 114.16 3ixd h SER 154 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3ixd h SER 154 Cb 0.33 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3ixd h SER 154 CO 0.00 0.62 -0.50 -0.29 -0.53 0.00 0.00 176.83 176.12 3ixd h ILE 155 N -0.93 1.19 -0.32 2.23 2.10 -1.46 -2.05 117.51 118.27 3ixd h ILE 155 Ca 0.00 -1.83 0.06 0.00 1.08 0.00 0.00 64.86 64.17 3ixd h ILE 155 Cb 0.30 2.04 -0.06 0.00 -1.09 0.00 0.00 36.82 38.01 3ixd h ILE 155 CO 0.00 0.49 -0.08 1.23 -1.08 0.00 0.00 178.15 178.71 3ixd h GLY 156 N 1.92 0.23 0.97 8.18 0.00 -0.57 -2.10 103.07 111.71 3ixd h GLY 156 Ca -0.01 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 3ixd h GLY 156 CO 0.07 -0.12 0.09 -2.00 0.00 0.00 0.00 176.54 174.57 3ixd h LEU 157 N 0.00 0.75 -0.62 3.11 5.85 -1.52 -2.63 115.31 120.25 3ixd h LEU 157 Ca 0.16 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.72 3ixd h LEU 157 Cb 0.24 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 3ixd h LEU 157 CO -0.33 0.81 0.25 0.15 -0.34 0.00 0.00 178.44 178.97 3ixd h PHE 158 N 0.65 0.43 -0.22 1.25 3.57 -1.13 -0.56 116.94 120.93 3ixd h PHE 158 Ca 0.15 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 3ixd h PHE 158 Cb 0.37 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3ixd h PHE 158 CO 0.03 0.12 -0.36 0.78 -2.23 0.00 0.00 178.31 176.65 3ixd h GLY 159 N 0.44 0.53 1.63 2.40 0.00 -1.24 -1.80 103.07 105.03 3ixd h GLY 159 Ca 0.31 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 3ixd h GLY 159 CO -0.30 0.45 -0.50 0.00 0.00 0.00 0.00 176.54 176.18 3ixd h ALA 160 N 1.21 0.87 0.00 3.60 0.00 -1.01 -3.17 119.26 120.76 3ixd h ALA 160 Ca 0.04 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3ixd h ALA 160 Cb 0.82 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ixd h ALA 160 CO 0.07 0.67 -0.22 -0.07 0.00 0.00 0.00 179.25 179.70 3ixd h LEU 161 N 0.31 0.00 0.00 0.00 3.38 -0.89 -3.32 115.31 114.78 3ixd h LEU 161 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3ixd h LEU 161 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3ixd h LEU 161 CO 0.09 0.10 -0.41 0.00 0.09 0.00 0.00 178.44 178.31 3ixd h ALA 162 N 1.90 0.80 -0.00 1.53 0.00 -1.30 -3.12 119.26 119.06 3ixd h ALA 162 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ixd h ALA 162 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ixd h ALA 162 CO 0.01 0.10 -0.23 1.33 0.00 0.00 0.00 179.25 180.46 3ixd n VAL 163 N -2.98 0.00 0.06 0.00 0.24 -1.24 -4.55 118.33 109.87 3ixd n VAL 163 Ca 0.02 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 3ixd n VAL 163 Cb 0.57 0.04 -0.09 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.46 -0.16 -1.00 7.34 1.57 -1.72 -2.62 116.57 120.45 3ixd h LYS 164 Ca 0.00 0.01 0.34 0.00 -1.87 0.00 0.00 60.65 59.13 3ixd h LYS 164 Cb 0.45 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.64 3ixd h LYS 164 CO 0.00 0.20 0.55 -1.35 -0.57 0.00 0.00 179.45 178.28 3ixd h PRO 165 N -0.55 0.26 0.00 3.15 0.11 -1.82 -0.30 132.00 132.85 3ixd h PRO 165 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3ixd h PRO 165 Cb 0.44 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3ixd h PRO 165 CO 0.03 0.17 0.00 0.66 -0.21 0.00 0.00 178.00 178.65 3ixd h SER 166 N 0.27 0.00 0.00 -2.05 4.64 -1.75 -3.46 113.55 111.19 3ixd h SER 166 Ca 0.75 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.07 3ixd h SER 166 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 3ixd h SER 166 CO -0.64 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.93 3ixd n GLY 167 N -0.19 2.94 3.86 -0.77 0.00 -0.12 -5.01 105.19 105.89 3ixd n GLY 167 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.88 0.67 0.99 1.43 -1.26 -5.06 118.68 119.34 3ixd s LEU 168 Ca 0.00 1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 54.23 3ixd s LEU 168 Cb 0.00 -4.14 0.01 0.00 0.03 0.00 0.00 46.19 42.08 3ixd s LEU 168 CO 0.00 -0.36 1.13 -0.94 0.23 0.00 0.00 176.35 176.41 3ixd s SER 169 N -2.79 4.95 0.23 2.29 1.04 -1.26 -4.60 113.70 113.55 3ixd s SER 169 Ca 0.54 2.07 -0.07 0.00 0.48 0.00 0.00 55.95 58.97 3ixd s SER 169 Cb -0.10 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.83 3ixd s SER 169 CO 0.26 -1.74 1.73 0.15 0.98 0.00 0.00 173.24 174.62 3ixd h PHE 170 N -0.00 0.43 -0.78 5.02 3.57 -1.91 0.18 116.94 123.45 3ixd h PHE 170 Ca -0.47 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.16 3ixd h PHE 170 Cb 1.26 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 3ixd h PHE 170 CO 0.53 0.06 0.51 0.93 -2.23 0.00 0.00 178.31 178.11 3ixd h GLU 171 N 0.41 0.68 0.06 1.11 3.07 -1.99 -0.35 114.58 117.58 3ixd h GLU 171 Ca 0.36 -0.04 -0.32 0.00 -0.50 0.00 0.00 59.36 58.86 3ixd h GLU 171 Cb 0.52 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 3ixd h GLU 171 CO -0.37 0.45 -1.81 1.96 -1.40 0.00 0.00 179.01 177.83 3ixd h GLN 172 N 0.70 0.13 -0.67 2.33 1.08 -1.42 -2.19 115.11 115.07 3ixd h GLN 172 Ca 0.36 -0.23 0.08 0.00 -1.45 0.00 0.00 58.65 57.41 3ixd h GLN 172 Cb 0.46 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.92 3ixd h GLN 172 CO -0.13 0.85 0.34 0.00 -0.95 0.00 0.00 178.83 178.94 3ixd h ALA 173 N 0.56 0.91 -0.21 3.87 0.00 -0.65 0.16 119.26 123.90 3ixd h ALA 173 Ca -0.34 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3ixd h ALA 173 Cb 2.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 3ixd h ALA 173 CO 0.09 -0.03 0.09 1.98 0.00 0.00 0.00 179.25 181.38 3ixd h MET 174 N 0.60 0.32 -0.50 0.00 1.85 -1.00 -1.22 114.93 114.98 3ixd h MET 174 Ca 0.32 -0.06 -0.12 0.00 -0.61 0.00 0.00 59.70 59.24 3ixd h MET 174 Cb 0.29 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 3ixd h MET 174 CO -0.24 0.37 -0.14 0.37 -0.40 0.00 0.00 176.91 176.87 3ixd h GLN 175 N 0.19 0.96 0.00 0.39 5.75 -1.23 -1.02 115.11 120.15 3ixd h GLN 175 Ca 0.07 -0.36 -0.00 0.00 -0.15 0.00 0.00 58.65 58.21 3ixd h GLN 175 Cb 0.17 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 3ixd h GLN 175 CO -0.01 1.03 -1.03 0.25 -2.65 0.00 0.00 178.83 176.42 3ixd n THR 176 N -4.13 0.62 -0.02 2.39 -2.24 0.03 -1.35 114.28 109.58 3ixd n THR 176 Ca 0.01 -0.55 0.02 0.00 -2.27 0.00 0.00 64.05 61.26 3ixd n THR 176 Cb 0.41 -0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.67 0.92 0.03 -0.78 1.74 -0.48 -4.54 116.66 110.89 3ixd n ARG 177 Ca -0.00 -0.08 -0.01 0.00 -0.77 0.00 0.00 57.85 56.99 3ixd n ARG 177 Cb 0.56 -1.30 -0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 -2.09 1.16 0.11 1.55 0.31 -0.75 -4.71 118.33 113.90 3ixd n VAL 178 Ca -0.08 0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 64.47 3ixd n VAL 178 Cb 0.50 -1.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.71 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 -0.08 -0.22 0.46 3.52 0.04 -1.25 -3.12 116.94 116.29 3ixd h PHE 179 Ca -0.00 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3ixd h PHE 179 Cb 0.16 0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3ixd h PHE 179 CO -0.03 0.02 -0.22 1.96 -0.60 0.00 0.00 178.31 179.44 3ixd h GLN 180 N -0.43 -0.59 0.00 1.51 4.20 -1.47 0.73 115.11 119.05 3ixd h GLN 180 Ca -0.02 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3ixd h GLN 180 Cb 0.33 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3ixd h GLN 180 CO 0.04 -0.38 0.07 -1.35 -0.67 0.00 0.00 178.83 176.54 3ixd h PRO 181 N -0.64 0.00 -0.49 1.46 0.11 -1.80 -0.54 132.00 130.10 3ixd h PRO 181 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3ixd h PRO 181 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3ixd h PRO 181 CO 0.10 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.17 3ixd n LEU 182 N -2.89 3.40 -3.29 2.35 4.77 -1.11 -4.95 117.00 115.28 3ixd n LEU 182 Ca -0.03 -2.05 -0.24 0.00 -0.03 0.00 0.00 56.01 53.67 3ixd n LEU 182 Cb 0.13 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 40.92 3ixd n LEU 182 CO 0.17 0.82 0.07 0.29 -1.33 0.00 0.00 177.39 177.41 3ixd n LYS 183 N 0.91 -5.60 -2.39 3.23 5.02 -0.21 -4.86 118.16 114.26 3ixd n LYS 183 Ca 0.17 0.82 -0.43 0.00 -2.02 0.00 0.00 58.31 56.85 3ixd n LYS 183 Cb 0.53 -5.72 0.00 0.00 -0.02 0.00 0.00 35.03 29.82 3ixd n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ixd n LEU 184 N -4.32 6.07 -0.33 -0.35 4.77 0.20 -4.74 117.00 118.31 3ixd n LEU 184 Ca -0.06 -4.37 0.13 0.00 -0.03 0.00 0.00 56.01 51.68 3ixd n LEU 184 Cb 0.59 -1.60 0.58 0.00 -2.33 0.00 0.00 43.42 40.66 3ixd n LEU 184 CO 0.55 0.96 0.89 0.59 -1.33 0.00 0.00 177.39 179.05 3ixd n ASN 185 N 5.51 1.01 -1.66 -1.43 3.02 -1.26 -3.42 115.26 117.03 3ixd n ASN 185 Ca 0.43 -1.44 0.01 0.00 -0.03 0.00 0.00 54.58 53.55 3ixd n ASN 185 Cb 0.40 -0.03 0.07 0.00 -0.61 0.00 0.00 39.78 39.61 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 -0.18 0.54 -4.37 3.10 8.25 -1.26 -5.02 115.22 116.28 3ixd n HIS 186 Ca 0.18 -1.23 -0.33 0.00 -0.26 0.00 0.00 57.72 56.08 3ixd n HIS 186 Cb 0.25 -0.21 -0.16 0.00 1.12 0.00 0.00 29.99 30.99 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 -1.95 2.06 0.01 1.59 2.01 -1.22 -3.65 115.64 114.48 3ixd s THR 187 Ca 0.35 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3ixd s THR 187 Cb 0.37 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 3ixd s THR 187 CO -0.10 0.54 -0.09 0.26 -0.69 0.00 0.00 174.62 174.55 3ixd s TRP 188 N 1.07 0.76 -0.05 4.92 0.52 0.77 -4.97 118.94 121.95 3ixd s TRP 188 Ca -0.01 -0.23 -0.20 0.00 0.02 0.00 0.00 56.10 55.68 3ixd s TRP 188 Cb -0.14 -0.47 -0.31 0.00 -1.15 0.00 0.00 33.47 31.40 3ixd s TRP 188 CO -0.08 -0.02 0.83 0.82 0.02 0.00 0.00 176.95 178.52 3ixd h ILE 189 N 4.80 1.38 -3.24 2.03 1.08 -1.85 0.47 117.51 122.17 3ixd h ILE 189 Ca -0.32 -2.52 -0.67 0.00 -0.39 0.00 0.00 64.86 60.95 3ixd h ILE 189 Cb 1.19 3.07 -0.33 0.00 -3.07 0.00 0.00 36.82 37.68 3ixd h ILE 189 CO 0.47 0.72 -0.85 0.20 -0.69 0.00 0.00 178.15 178.01 3ixd s ASN 190 N -7.05 3.29 -0.04 1.72 0.01 -1.26 -4.78 114.94 106.82 3ixd s ASN 190 Ca -0.15 -0.55 -0.29 0.00 -0.71 0.00 0.00 52.86 51.16 3ixd s ASN 190 Cb 0.02 -1.48 -0.02 0.00 0.41 0.00 0.00 41.25 40.18 3ixd s ASN 190 CO 0.83 0.09 0.97 -0.69 -1.51 0.00 0.00 177.10 176.79 3ixd s VAL 191 N 0.75 4.85 0.52 1.60 1.01 -1.26 -5.02 120.40 122.86 3ixd s VAL 191 Ca -0.08 2.01 -0.21 0.00 0.00 0.00 0.00 61.98 63.71 3ixd s VAL 191 Cb -0.16 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 3ixd s VAL 191 CO -0.00 0.11 1.16 -2.84 0.00 0.00 0.00 175.10 173.54 3ixd s PRO 192 N 1.34 3.43 0.40 2.72 0.02 -1.26 -4.89 135.00 136.75 3ixd s PRO 192 Ca 0.50 1.73 0.23 0.00 0.02 0.00 0.00 61.00 63.48 3ixd s PRO 192 Cb -0.20 -2.14 1.29 0.00 0.02 0.00 0.00 34.50 33.47 3ixd s PRO 192 CO 0.24 -0.82 1.64 -1.35 -0.33 0.00 0.00 177.00 176.39 3ixd h PRO 193 N 1.46 0.16 -0.00 5.54 0.11 -2.02 0.16 132.00 137.41 3ixd h PRO 193 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ixd h PRO 193 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ixd h PRO 193 CO 0.58 0.11 -0.06 0.00 -0.21 0.00 0.00 178.00 178.41 3ixd n ALA 194 N -2.41 2.63 0.67 -0.75 0.00 -1.26 -2.67 120.51 116.72 3ixd n ALA 194 Ca 0.35 -0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.66 3ixd n ALA 194 Cb 1.23 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 19.27 3ixd n ALA 194 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ixd n GLU 195 N -1.17 1.72 0.24 0.00 -0.58 0.53 -4.40 120.64 116.98 3ixd n GLU 195 Ca 0.14 -0.79 0.08 0.00 -0.42 0.00 0.00 57.16 56.16 3ixd n GLU 195 Cb 0.26 -1.25 0.62 0.00 -0.57 0.00 0.00 31.44 30.51 3ixd n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3ixd h GLU 196 N 1.72 0.04 0.00 3.49 5.08 -1.30 0.17 114.58 123.77 3ixd h GLU 196 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ixd h GLU 196 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ixd h GLU 196 CO 0.00 0.03 0.00 1.57 -1.00 0.00 0.00 179.01 179.61 3ixd h LYS 197 N 0.04 0.00 -0.01 2.33 2.10 -1.79 -2.02 116.57 117.21 3ixd h LYS 197 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3ixd h LYS 197 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3ixd h LYS 197 CO -0.00 0.00 -0.63 0.09 -2.00 0.00 0.00 179.45 176.91 3ixd n ASN 198 N -2.61 1.70 -4.53 7.07 3.02 0.55 -4.88 115.26 115.57 3ixd n ASN 198 Ca 0.01 -1.34 -0.43 0.00 -0.03 0.00 0.00 54.58 52.79 3ixd n ASN 198 Cb 0.22 0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 39.98 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 -2.64 2.71 0.50 3.10 6.14 -0.76 0.03 117.35 126.43 3ixd s TYR 199 Ca 0.15 0.03 -0.20 0.00 0.64 0.00 0.00 57.07 57.69 3ixd s TYR 199 Cb 0.17 -4.22 -0.10 0.00 0.42 0.00 0.00 41.96 38.23 3ixd s TYR 199 CO 0.66 -1.47 0.62 0.00 0.64 0.00 0.00 175.55 176.00 3ixd n ALA 200 N 7.81 -1.00 -2.10 3.97 0.00 -0.64 -4.92 120.51 123.63 3ixd n ALA 200 Ca 0.03 0.08 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 3ixd n ALA 200 Cb 0.48 -1.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.56 3.86 0.44 0.00 0.52 -0.14 -4.93 118.94 117.13 3ixd s TRP 201 Ca 0.66 1.49 -0.02 0.00 0.02 0.00 0.00 56.10 58.25 3ixd s TRP 201 Cb -0.51 -2.66 -0.03 0.00 -1.15 0.00 0.00 33.47 29.12 3ixd s TRP 201 CO 0.56 0.54 0.69 0.20 0.02 0.00 0.00 176.95 178.95 3ixd s GLY 202 N -1.16 1.46 -0.24 0.98 0.00 -0.69 -4.80 107.32 102.86 3ixd s GLY 202 Ca 0.34 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 3ixd s GLY 202 CO 0.23 -0.64 0.04 -0.19 0.00 0.00 0.00 173.10 172.55 3ixd s TYR 203 N -2.57 1.48 -0.21 1.90 2.02 -0.86 -0.35 117.35 118.76 3ixd s TYR 203 Ca 0.45 -1.31 -0.06 0.00 -0.37 0.00 0.00 57.07 55.78 3ixd s TYR 203 Cb -0.10 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3ixd s TYR 203 CO 0.40 -0.73 0.02 0.50 -1.57 0.00 0.00 175.55 174.17 3ixd s ARG 204 N 1.70 3.66 -1.56 -0.62 3.52 -0.78 -4.52 118.95 120.35 3ixd s ARG 204 Ca 0.02 -0.49 -0.09 0.00 -0.13 0.00 0.00 55.73 55.04 3ixd s ARG 204 Cb -0.17 -3.14 0.08 0.00 -1.56 0.00 0.00 34.95 30.16 3ixd s ARG 204 CO -0.14 0.00 0.58 -1.91 -0.81 0.00 0.00 175.30 173.02 3ixd n GLU 205 N 4.30 -3.15 0.00 5.12 4.07 -1.26 -1.02 120.64 128.69 3ixd n GLU 205 Ca -0.17 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 3ixd n GLU 205 Cb 0.52 -4.77 0.00 0.00 -0.06 0.00 0.00 31.44 27.13 3ixd n GLU 205 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ixd n GLY 206 N -1.74 2.79 3.86 8.31 0.00 -1.26 -5.01 105.19 112.13 3ixd n GLY 206 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 3.95 -0.22 1.61 1.02 -0.19 -5.03 119.74 120.87 3ixd s LYS 207 Ca 0.00 0.54 -0.26 0.00 0.02 0.00 0.00 55.97 56.27 3ixd s LYS 207 Cb 0.00 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.77 3ixd s LYS 207 CO 0.00 0.23 0.91 0.00 -0.92 0.00 0.00 175.35 175.57 3ixd s ALA 208 N -1.89 3.63 0.33 5.17 0.00 -1.26 -1.87 121.76 125.86 3ixd s ALA 208 Ca 0.51 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.54 3ixd s ALA 208 Cb -0.11 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 3ixd s ALA 208 CO 0.19 -0.90 0.04 0.14 0.00 0.00 0.00 175.76 175.23 3ixd s VAL 209 N 2.79 1.31 0.02 0.00 -7.23 0.53 -4.93 120.40 112.89 3ixd s VAL 209 Ca 0.39 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.51 3ixd s VAL 209 Cb -0.16 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 3ixd s VAL 209 CO 0.08 -0.02 0.08 -1.00 -0.31 0.00 0.00 175.10 173.93 3ixd s HIS 210 N -3.21 0.15 0.12 2.82 3.76 -1.26 -1.70 115.29 115.97 3ixd s HIS 210 Ca 0.36 -0.36 -0.35 0.00 -0.15 0.00 0.00 55.06 54.56 3ixd s HIS 210 Cb 0.09 -0.12 -0.15 0.00 1.11 0.00 0.00 32.58 33.51 3ixd s HIS 210 CO 0.16 -0.29 1.53 1.55 -0.85 0.00 0.00 174.74 176.83 3ixd n VAL 211 N 1.26 0.03 -2.08 -0.90 3.14 -1.26 -4.95 118.33 113.57 3ixd n VAL 211 Ca -0.22 -0.01 -0.41 0.00 -2.96 0.00 0.00 64.34 60.75 3ixd n VAL 211 Cb 0.56 -1.35 -0.02 0.00 -1.06 0.00 0.00 33.84 31.97 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 0.97 6.73 0.41 6.55 0.01 -1.26 -5.01 113.70 122.10 3ixd s SER 212 Ca 0.81 2.68 -0.26 0.00 1.31 0.00 0.00 55.95 60.49 3ixd s SER 212 Cb -0.76 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 62.73 3ixd s SER 212 CO 0.41 -0.59 1.35 -2.65 0.41 0.00 0.00 173.24 172.17 3ixd n PRO 213 N 1.33 2.18 -3.61 12.44 -0.02 -1.26 -5.01 135.00 141.05 3ixd n PRO 213 Ca 0.02 0.77 -0.11 0.00 -2.02 0.00 0.00 63.50 62.16 3ixd n PRO 213 Cb 0.41 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 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 -0.40 -0.32 0.38 -1.23 0.00 -1.26 -5.08 107.32 99.41 3ixd s GLY 214 Ca 0.58 0.08 -0.28 0.00 0.00 0.00 0.00 44.72 45.11 3ixd s GLY 214 CO 0.60 -0.19 1.44 0.00 0.00 0.00 0.00 173.10 174.94 3ixd n ALA 215 N -0.15 2.10 -1.70 3.20 0.00 -1.26 -1.23 120.51 121.47 3ixd n ALA 215 Ca -0.16 0.33 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 3ixd n ALA 215 Cb 0.63 -2.38 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 3ixd n ALA 215 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ixd n LEU 216 N 0.43 -1.43 -0.26 0.00 4.77 -1.26 -4.86 117.00 114.39 3ixd n LEU 216 Ca 0.02 0.39 -0.02 0.00 -0.03 0.00 0.00 56.01 56.37 3ixd n LEU 216 Cb 0.39 -2.64 0.17 0.00 -2.33 0.00 0.00 43.42 39.00 3ixd n LEU 216 CO 0.63 -0.84 1.19 -2.24 -1.33 0.00 0.00 177.39 174.80 3ixd h ASP 217 N 0.00 0.98 -0.66 -1.43 3.04 -1.58 -2.83 116.42 113.94 3ixd h ASP 217 Ca -0.39 -0.07 0.01 0.00 -3.24 0.00 0.00 57.03 53.34 3ixd h ASP 217 Cb 1.24 -0.25 -0.03 0.00 -1.04 0.00 0.00 39.33 39.25 3ixd h ASP 217 CO 0.55 0.77 0.43 0.00 -2.04 0.00 0.00 179.24 178.95 3ixd h ALA 218 N 1.40 0.84 0.00 4.15 0.00 -1.89 0.45 119.26 124.21 3ixd h ALA 218 Ca 0.29 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3ixd h ALA 218 Cb -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ixd h ALA 218 CO -0.05 0.24 -0.37 0.93 0.00 0.00 0.00 179.25 180.00 3ixd h GLU 219 N 0.87 0.00 0.00 0.00 3.07 -1.85 -3.35 114.58 113.32 3ixd h GLU 219 Ca 0.25 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.97 3ixd h GLU 219 Cb -0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 3ixd h GLU 219 CO -0.06 0.37 -1.52 0.00 -1.40 0.00 0.00 179.01 176.40 3ixd n ALA 220 N -2.29 1.81 -1.91 3.43 0.00 -1.08 -4.53 120.51 115.94 3ixd n ALA 220 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3ixd n ALA 220 Cb 0.52 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.52 0.00 -1.02 0.00 0.18 -0.60 -4.12 117.16 109.08 3ixd n TYR 221 Ca -0.14 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.69 3ixd n TYR 221 Cb 0.71 0.15 0.30 0.00 -0.38 0.00 0.00 39.34 40.12 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 3.79 3.82 -7.48 0.00 0.05 -3.63 105.19 101.74 3ixd n GLY 222 Ca 0.00 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.88 4.67 -0.03 1.61 1.01 -1.26 -4.47 120.40 119.05 3ixd s VAL 223 Ca 0.48 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.72 3ixd s VAL 223 Cb 0.38 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3ixd s VAL 223 CO 0.11 0.33 -0.25 -0.54 0.00 0.00 0.00 175.10 174.74 3ixd s LYS 224 N -1.68 2.22 0.20 2.72 3.01 0.16 -1.32 119.74 125.05 3ixd s LYS 224 Ca 0.38 -0.91 -0.15 0.00 -1.01 0.00 0.00 55.97 54.28 3ixd s LYS 224 Cb -0.18 -2.05 0.01 0.00 -1.01 0.00 0.00 37.83 34.61 3ixd s LYS 224 CO 0.21 0.50 0.46 0.45 0.51 0.00 0.00 175.35 177.47 3ixd s SER 225 N -0.46 -0.16 0.23 2.83 0.15 -0.55 -0.17 113.70 115.57 3ixd s SER 225 Ca 0.06 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 56.10 3ixd s SER 225 Cb -0.11 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 3ixd s SER 225 CO 0.00 -1.04 0.30 0.42 1.20 0.00 0.00 173.24 174.13 3ixd s THR 226 N -3.92 5.03 0.37 6.45 -4.23 -1.24 -1.08 115.64 117.02 3ixd s THR 226 Ca 0.13 -1.06 0.10 0.00 -1.18 0.00 0.00 61.69 59.68 3ixd s THR 226 Cb -0.00 -3.71 0.32 0.00 1.34 0.00 0.00 72.50 70.45 3ixd s THR 226 CO 0.00 -0.30 1.89 -0.29 -0.54 0.00 0.00 174.62 175.39 3ixd h ILE 227 N 1.34 0.86 -0.22 2.99 6.09 -1.73 -1.65 117.51 125.19 3ixd h ILE 227 Ca -0.51 -0.23 -0.01 0.00 -1.37 0.00 0.00 64.86 62.74 3ixd h ILE 227 Cb 1.23 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 3ixd h ILE 227 CO 0.62 0.12 0.08 -0.33 -3.07 0.00 0.00 178.15 175.57 3ixd h GLU 228 N 0.66 0.34 -0.47 2.19 5.08 -1.95 -1.41 114.58 119.02 3ixd h GLU 228 Ca 0.41 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 3ixd h GLU 228 Cb 0.66 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3ixd h GLU 228 CO -0.17 0.41 0.11 -0.44 -1.00 0.00 0.00 179.01 177.92 3ixd h ASP 229 N 0.20 0.66 0.12 1.42 5.19 -1.84 -1.49 116.42 120.68 3ixd h ASP 229 Ca 0.07 -0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 56.22 3ixd h ASP 229 Cb 0.20 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 3ixd h ASP 229 CO -0.00 0.66 -0.58 0.24 -3.12 0.00 0.00 179.24 176.44 3ixd h MET 230 N 0.69 0.47 -0.74 3.56 2.86 -1.17 0.35 114.93 120.95 3ixd h MET 230 Ca 0.16 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3ixd h MET 230 Cb 0.27 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 3ixd h MET 230 CO -0.00 0.92 0.44 0.00 1.06 0.00 0.00 176.91 179.33 3ixd h ALA 231 N 1.02 0.94 -0.66 6.32 0.00 -0.97 0.17 119.26 126.08 3ixd h ALA 231 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3ixd h ALA 231 Cb 1.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3ixd h ALA 231 CO 0.10 0.42 0.12 -0.09 0.00 0.00 0.00 179.25 179.81 3ixd h ARG 232 N 1.01 1.07 -0.82 0.00 2.43 -0.89 0.04 114.38 117.22 3ixd h ARG 232 Ca 0.26 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3ixd h ARG 232 Cb -0.03 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 3ixd h ARG 232 CO -0.05 0.97 0.54 2.35 -1.51 0.00 0.00 179.97 182.27 3ixd h TRP 233 N 1.01 1.03 -0.13 2.20 -0.00 0.49 -0.88 115.95 119.67 3ixd h TRP 233 Ca 0.20 0.02 -0.11 0.00 -0.00 0.00 0.00 58.89 59.01 3ixd h TRP 233 Cb 0.41 -0.35 0.00 0.00 -0.00 0.00 0.00 29.16 29.22 3ixd h TRP 233 CO 0.03 0.65 -0.34 0.28 -0.00 0.00 0.00 178.44 179.06 3ixd h VAL 234 N 1.11 1.37 -0.56 2.65 2.07 -0.42 -2.35 116.25 120.12 3ixd h VAL 234 Ca 0.30 -1.64 0.11 0.00 0.82 0.00 0.00 66.70 66.29 3ixd h VAL 234 Cb -0.12 2.08 -0.09 0.00 -1.52 0.00 0.00 31.29 31.64 3ixd h VAL 234 CO -0.06 0.49 0.06 1.56 0.02 0.00 0.00 177.57 179.63 3ixd h GLN 235 N 0.06 0.17 -0.19 1.57 4.20 -0.76 0.41 115.11 120.58 3ixd h GLN 235 Ca -0.01 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.70 3ixd h GLN 235 Cb 0.96 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3ixd h GLN 235 CO 0.07 0.12 0.13 0.77 -0.67 0.00 0.00 178.83 179.24 3ixd h SER 236 N 0.18 0.20 0.95 1.46 0.02 -1.07 -0.99 113.55 114.29 3ixd h SER 236 Ca 0.29 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.08 3ixd h SER 236 Cb 0.44 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 3ixd h SER 236 CO -0.43 0.14 -1.12 0.78 -1.14 0.00 0.00 176.83 175.06 3ixd h ASN 237 N 0.23 0.00 -0.26 3.07 2.35 -0.68 -3.17 115.58 117.13 3ixd h ASN 237 Ca 0.07 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 3ixd h ASN 237 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 3ixd h ASN 237 CO -0.01 0.61 -0.42 -0.07 -1.65 0.00 0.00 177.43 175.88 3ixd h LEU 238 N 0.00 0.81 -6.16 1.61 3.38 -0.55 -3.38 115.31 111.02 3ixd h LEU 238 Ca -0.11 -0.52 -0.58 0.00 0.09 0.00 0.00 57.88 56.75 3ixd h LEU 238 Cb 1.56 -0.23 -0.40 0.00 0.09 0.00 0.00 40.66 41.67 3ixd h LEU 238 CO 0.06 1.18 -0.84 0.29 0.09 0.00 0.00 178.44 179.22 3ixd n LYS 239 N -4.17 1.55 0.25 1.13 5.02 -0.41 -4.88 118.16 116.65 3ixd n LYS 239 Ca -0.05 -3.93 0.08 0.00 -2.02 0.00 0.00 58.31 52.39 3ixd n LYS 239 Cb 0.55 -1.76 0.61 0.00 -0.02 0.00 0.00 35.03 34.42 3ixd n LYS 239 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3ixd h PRO 240 N 4.23 0.00 0.00 1.97 0.13 -1.74 -2.47 132.00 134.12 3ixd h PRO 240 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ixd h PRO 240 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3ixd h PRO 240 CO 0.64 0.08 0.00 -0.07 -0.23 0.00 0.00 178.00 178.42 3ixd h LEU 241 N 0.00 0.00 0.00 1.56 3.38 -1.91 -0.59 115.31 117.75 3ixd h LEU 241 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ixd h LEU 241 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ixd h LEU 241 CO 0.01 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.01 3ixd n ASP 242 N -2.99 0.00 -4.66 -0.43 9.92 -0.93 -4.79 116.55 112.67 3ixd n ASP 242 Ca -0.03 -0.09 -0.39 0.00 -0.53 0.00 0.00 54.79 53.75 3ixd n ASP 242 Cb 0.08 -0.26 -0.07 0.00 -0.64 0.00 0.00 41.12 40.23 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 -2.53 5.13 0.23 0.53 1.01 -0.23 -4.96 121.20 120.37 3ixd s ILE 243 Ca 0.23 0.89 -0.01 0.00 0.00 0.00 0.00 60.65 61.76 3ixd s ILE 243 Cb 0.15 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.82 3ixd s ILE 243 CO 0.34 0.19 1.61 0.78 0.00 0.00 0.00 174.94 177.87 3ixd h ASN 244 N 7.47 0.58 -3.11 3.58 -0.26 -1.88 -3.42 115.58 118.54 3ixd h ASN 244 Ca -0.34 -0.25 -0.57 0.00 -0.56 0.00 0.00 56.30 54.59 3ixd h ASN 244 Cb 1.16 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 38.21 3ixd h ASN 244 CO 0.73 0.90 0.99 -1.61 -1.06 0.00 0.00 177.43 177.38 3ixd s GLU 245 N -4.29 3.90 0.17 0.81 8.01 -1.26 -4.92 118.70 121.13 3ixd s GLU 245 Ca -0.07 1.29 -0.10 0.00 0.01 0.00 0.00 54.97 56.09 3ixd s GLU 245 Cb 0.13 -3.89 0.05 0.00 -4.31 0.00 0.00 34.13 26.10 3ixd s GLU 245 CO 0.82 -1.14 1.62 -0.22 0.01 0.00 0.00 175.26 176.35 3ixd h LYS 246 N 9.43 1.03 -0.22 1.61 1.63 -2.00 -1.20 116.57 126.86 3ixd h LYS 246 Ca -0.27 -0.34 -0.13 0.00 -0.85 0.00 0.00 60.65 59.07 3ixd h LYS 246 Cb 1.10 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 3ixd h LYS 246 CO 1.03 1.03 -0.41 1.79 -3.45 0.00 0.00 179.45 179.44 3ixd h THR 247 N 0.92 1.30 -0.15 1.00 1.35 -1.92 -0.77 112.91 114.64 3ixd h THR 247 Ca 0.16 -1.56 -0.14 0.00 -0.55 0.00 0.00 66.41 64.32 3ixd h THR 247 Cb 0.57 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 3ixd h THR 247 CO 0.03 0.49 -0.50 0.25 -0.25 0.00 0.00 175.52 175.54 3ixd h LEU 248 N 0.42 0.44 0.04 3.87 5.85 -1.83 0.24 115.31 124.33 3ixd h LEU 248 Ca 0.04 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3ixd h LEU 248 Cb 0.89 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3ixd h LEU 248 CO 0.08 0.86 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.41 3ixd h GLN 249 N 0.32 -0.05 -0.28 1.25 4.15 -0.81 -1.74 115.11 117.95 3ixd h GLN 249 Ca 0.01 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 3ixd h GLN 249 Cb 0.99 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 3ixd h GLN 249 CO 0.09 0.13 -0.14 1.96 -1.93 0.00 0.00 178.83 178.93 3ixd h GLN 250 N -0.22 0.49 0.08 1.69 4.20 -1.06 -2.53 115.11 117.75 3ixd h GLN 250 Ca -0.01 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3ixd h GLN 250 Cb 0.20 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3ixd h GLN 250 CO 0.01 0.62 -0.05 0.78 -0.67 0.00 0.00 178.83 179.52 3ixd h GLY 251 N 0.93 -0.13 0.55 3.46 0.00 -0.41 0.33 103.07 107.80 3ixd h GLY 251 Ca 0.08 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.50 3ixd h GLY 251 CO 0.03 -0.06 -0.15 -2.22 0.00 0.00 0.00 176.54 174.15 3ixd h ILE 252 N -0.14 0.62 -0.62 2.60 2.04 -1.28 -1.77 117.51 118.96 3ixd h ILE 252 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3ixd h ILE 252 Cb 0.12 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 3ixd h ILE 252 CO 0.00 0.00 0.27 1.56 0.00 0.00 0.00 178.15 179.99 3ixd h GLN 253 N -0.21 0.48 -0.07 2.37 4.20 -0.99 -2.15 115.11 118.74 3ixd h GLN 253 Ca 0.07 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 3ixd h GLN 253 Cb 0.31 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3ixd h GLN 253 CO -0.20 0.31 -0.30 -0.07 -0.67 0.00 0.00 178.83 177.91 3ixd h LEU 254 N 0.49 0.12 -2.04 1.46 3.38 -0.08 -2.07 115.31 116.58 3ixd h LEU 254 Ca 0.30 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3ixd h LEU 254 Cb 0.32 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ixd h LEU 254 CO -0.26 0.43 -0.08 0.00 0.09 0.00 0.00 178.44 178.61 3ixd h ALA 255 N 1.59 1.58 -0.27 1.53 0.00 -0.64 -1.58 119.26 121.47 3ixd h ALA 255 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ixd h ALA 255 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ixd h ALA 255 CO 0.04 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.43 3ixd n GLN 256 N -4.02 2.19 -1.16 0.00 6.02 -0.79 -1.08 117.38 118.54 3ixd n GLN 256 Ca -0.03 -1.78 -0.30 0.00 -0.01 0.00 0.00 57.00 54.88 3ixd n GLN 256 Cb 0.17 -1.46 0.13 0.00 1.02 0.00 0.00 30.24 30.09 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 -1.57 3.58 -0.30 1.08 0.01 -0.59 -4.27 113.70 111.64 3ixd s SER 257 Ca 0.35 1.61 -0.06 0.00 1.31 0.00 0.00 55.95 59.17 3ixd s SER 257 Cb 0.20 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 64.17 3ixd s SER 257 CO 0.30 -2.59 0.07 -0.13 0.41 0.00 0.00 173.24 171.29 3ixd s ARG 258 N -4.89 2.97 -0.02 12.44 0.52 -0.33 -3.97 118.95 125.67 3ixd s ARG 258 Ca 0.63 -0.93 0.19 0.00 -0.52 0.00 0.00 55.73 55.10 3ixd s ARG 258 Cb -0.18 -3.34 -0.28 0.00 0.52 0.00 0.00 34.95 31.67 3ixd s ARG 258 CO 0.57 -0.48 0.52 0.66 0.02 0.00 0.00 175.30 176.60 3ixd n TYR 259 N 4.83 0.00 -3.66 -0.53 4.01 -0.12 -2.08 117.16 119.61 3ixd n TYR 259 Ca -0.14 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.48 3ixd n TYR 259 Cb 0.47 -0.32 -0.08 0.00 -0.31 0.00 0.00 39.34 39.10 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 -3.19 -0.78 -0.10 -0.72 -0.11 -1.23 -1.42 118.94 111.39 3ixd s TRP 260 Ca -0.03 1.75 0.01 0.00 1.22 0.00 0.00 56.10 59.04 3ixd s TRP 260 Cb 0.13 0.35 -0.02 0.00 -1.50 0.00 0.00 33.47 32.43 3ixd s TRP 260 CO 0.80 -0.39 -0.11 -1.14 -4.62 0.00 0.00 176.95 171.49 3ixd s GLN 261 N 0.84 3.07 -0.08 5.86 0.74 0.02 -0.56 119.66 129.55 3ixd s GLN 261 Ca -0.04 -0.64 -0.03 0.00 0.05 0.00 0.00 55.36 54.70 3ixd s GLN 261 Cb -0.05 -2.59 0.04 0.00 1.10 0.00 0.00 33.01 31.51 3ixd s GLN 261 CO -0.07 0.41 0.14 -0.08 -0.55 0.00 0.00 175.29 175.15 3ixd s THR 262 N -0.15 -0.23 0.00 -0.34 -1.32 -0.21 -1.46 115.64 111.92 3ixd s THR 262 Ca 0.00 0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 3ixd s THR 262 Cb -0.13 -0.27 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 3ixd s THR 262 CO 0.03 0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 3ixd n GLY 263 N 5.27 3.54 0.72 6.08 0.00 -0.73 -0.84 105.19 119.23 3ixd n GLY 263 Ca -0.05 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 4.91 2.19 -4.82 1.61 8.00 -1.26 -4.94 116.55 122.24 3ixd n ASP 264 Ca 0.00 -1.77 -0.34 0.00 0.71 0.00 0.00 54.79 53.39 3ixd n ASP 264 Cb 0.00 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.79 3.24 -0.11 -1.24 0.23 -0.02 -4.50 119.30 115.10 3ixd s MET 265 Ca 0.34 -0.35 0.01 0.00 -1.03 0.00 0.00 55.69 54.66 3ixd s MET 265 Cb 0.20 -2.99 -0.02 0.00 -1.53 0.00 0.00 34.83 30.49 3ixd s MET 265 CO 0.29 0.69 -0.14 0.71 -2.03 0.00 0.00 175.02 174.54 3ixd s TYR 266 N -1.15 2.77 -0.15 3.16 2.02 0.19 -1.05 117.35 123.14 3ixd s TYR 266 Ca 0.21 -0.58 -0.23 0.00 -0.37 0.00 0.00 57.07 56.10 3ixd s TYR 266 Cb -0.12 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 3ixd s TYR 266 CO 0.11 -0.15 0.69 -1.14 -1.57 0.00 0.00 175.55 173.49 3ixd s GLN 267 N 0.15 4.30 0.00 -0.62 2.00 0.27 -0.31 119.66 125.46 3ixd s GLN 267 Ca -0.07 0.78 0.00 0.00 -2.00 0.00 0.00 55.36 54.07 3ixd s GLN 267 Cb -0.15 -3.54 0.00 0.00 0.80 0.00 0.00 33.01 30.12 3ixd s GLN 267 CO 0.05 -0.17 0.00 0.41 -0.50 0.00 0.00 175.29 175.08 3ixd n GLY 268 N 3.51 3.22 3.38 2.59 0.00 0.08 -0.94 105.19 117.03 3ixd n GLY 268 Ca -0.00 -1.98 -0.44 0.00 0.00 0.00 0.00 46.02 43.60 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 5.28 0.00 0.99 1.43 -0.24 -4.59 118.68 121.55 3ixd s LEU 269 Ca 0.00 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 3ixd s LEU 269 Cb 0.00 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3ixd s LEU 269 CO 0.00 -1.14 0.00 0.61 0.23 0.00 0.00 176.35 176.05 3ixd n GLY 270 N 5.28 1.82 3.77 -3.19 0.00 -1.26 -4.18 105.19 107.44 3ixd n GLY 270 Ca -0.09 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 2.74 0.16 1.61 0.52 -1.26 -4.68 118.94 118.02 3ixd s TRP 271 Ca 0.00 1.40 0.10 0.00 0.02 0.00 0.00 56.10 57.62 3ixd s TRP 271 Cb 0.00 -3.68 -0.04 0.00 -1.15 0.00 0.00 33.47 28.60 3ixd s TRP 271 CO 0.00 -2.19 -0.16 -1.21 0.02 0.00 0.00 176.95 173.40 3ixd s GLU 272 N -2.37 1.82 0.01 4.98 2.02 -0.65 -0.74 118.70 123.77 3ixd s GLU 272 Ca 0.59 -1.29 -0.02 0.00 0.02 0.00 0.00 54.97 54.27 3ixd s GLU 272 Cb -0.38 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.77 3ixd s GLU 272 CO 0.48 0.44 0.02 -1.64 0.02 0.00 0.00 175.26 174.58 3ixd s MET 273 N -2.52 0.35 0.02 1.61 -1.94 0.58 -0.73 119.30 116.68 3ixd s MET 273 Ca 0.21 -0.54 0.03 0.00 -1.71 0.00 0.00 55.69 53.68 3ixd s MET 273 Cb -0.09 0.13 -0.02 0.00 2.01 0.00 0.00 34.83 36.87 3ixd s MET 273 CO 0.12 -0.07 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.45 3ixd s LEU 274 N -1.41 2.12 0.21 -0.03 1.02 -0.67 0.56 118.68 120.48 3ixd s LEU 274 Ca -0.15 -0.34 -0.32 0.00 0.02 0.00 0.00 54.13 53.33 3ixd s LEU 274 Cb -0.09 -0.42 -0.13 0.00 0.02 0.00 0.00 46.19 45.56 3ixd s LEU 274 CO -0.00 0.01 1.53 0.47 0.02 0.00 0.00 176.35 178.37 3ixd n ASP 275 N 2.22 3.12 -4.70 2.29 8.00 -1.26 0.06 116.55 126.27 3ixd n ASP 275 Ca -0.17 1.11 -0.35 0.00 0.71 0.00 0.00 54.79 56.09 3ixd n ASP 275 Cb 0.56 -1.46 -0.09 0.00 -0.02 0.00 0.00 41.12 40.11 3ixd n ASP 275 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3ixd s TRP 276 N 0.46 3.29 0.47 1.24 -0.11 -0.06 -3.66 118.94 120.57 3ixd s TRP 276 Ca 0.73 0.21 -0.20 0.00 1.22 0.00 0.00 56.10 58.06 3ixd s TRP 276 Cb -0.63 -1.94 -0.09 0.00 -1.50 0.00 0.00 33.47 29.30 3ixd s TRP 276 CO 0.43 0.39 0.99 -1.25 -4.62 0.00 0.00 176.95 172.89 3ixd s PRO 277 N -0.40 4.01 0.05 5.86 0.04 -1.26 -4.70 135.00 138.60 3ixd s PRO 277 Ca 0.09 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3ixd s PRO 277 Cb -0.12 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3ixd s PRO 277 CO 0.02 -0.22 -0.04 0.14 0.04 0.00 0.00 177.00 176.93 3ixd s VAL 278 N -2.23 0.31 0.26 -0.36 -7.23 -1.24 -5.09 120.40 104.82 3ixd s VAL 278 Ca 0.63 -1.48 -0.01 0.00 -1.81 0.00 0.00 61.98 59.31 3ixd s VAL 278 Cb -0.11 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 3ixd s VAL 278 CO 0.20 -0.76 0.46 0.20 -0.31 0.00 0.00 175.10 174.88 3ixd s ASN 279 N -2.36 6.36 0.33 4.85 -0.87 -1.26 -5.00 114.94 117.00 3ixd s ASN 279 Ca -0.01 0.44 0.11 0.00 -1.57 0.00 0.00 52.86 51.82 3ixd s ASN 279 Cb 0.00 -2.02 0.92 0.00 -0.02 0.00 0.00 41.25 40.13 3ixd s ASN 279 CO -0.05 -0.14 1.73 -0.65 -2.57 0.00 0.00 177.10 175.42 3ixd h PRO 280 N 1.54 0.54 -0.82 -0.60 0.10 -1.98 -1.88 132.00 128.89 3ixd h PRO 280 Ca -0.49 -0.03 0.07 0.00 0.10 0.00 0.00 66.00 65.65 3ixd h PRO 280 Cb 1.20 -0.12 -0.05 0.00 0.10 0.00 0.00 31.00 32.13 3ixd h PRO 280 CO 0.65 0.35 0.54 -0.44 0.10 0.00 0.00 178.00 179.20 3ixd h ASP 281 N 0.55 0.77 1.09 -2.05 5.19 -1.98 0.12 116.42 120.11 3ixd h ASP 281 Ca 0.64 0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.88 3ixd h ASP 281 Cb 1.28 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.60 3ixd h ASP 281 CO -0.46 0.49 -0.93 0.77 -3.12 0.00 0.00 179.24 175.99 3ixd h SER 282 N 0.87 0.00 -0.49 6.45 4.64 -1.75 -3.22 113.55 120.06 3ixd h SER 282 Ca 0.36 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.58 3ixd h SER 282 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3ixd h SER 282 CO -0.13 0.84 -0.08 0.40 -0.87 0.00 0.00 176.83 176.98 3ixd h ILE 283 N 0.00 1.27 0.00 0.95 2.04 -1.16 -3.48 117.51 117.13 3ixd h ILE 283 Ca -0.04 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3ixd h ILE 283 Cb 1.67 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3ixd h ILE 283 CO 0.10 0.42 0.00 -0.38 0.00 0.00 0.00 178.15 178.29 3ixd n ILE 284 N -4.25 0.00 -2.38 -0.67 5.41 0.33 -5.11 119.36 112.69 3ixd n ILE 284 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.75 3ixd n ILE 284 Cb 0.37 -0.28 -0.01 0.00 -0.71 0.00 0.00 39.64 39.01 3ixd n ILE 284 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3ixd n PRO 297 N 0.21 -4.63 -3.48 0.38 -0.04 -1.26 -5.08 135.00 121.10 3ixd n PRO 297 Ca 0.00 3.37 -0.17 0.00 -0.04 0.00 0.00 63.50 66.66 3ixd n PRO 297 Cb 0.14 -4.36 -0.12 0.00 -0.04 0.00 0.00 33.50 29.12 3ixd n PRO 297 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3ixd s GLU 298 N -0.55 0.21 0.16 0.54 2.12 -1.26 -1.78 118.70 118.14 3ixd s GLU 298 Ca -0.04 0.25 -0.24 0.00 0.36 0.00 0.00 54.97 55.30 3ixd s GLU 298 Cb 0.00 -1.11 0.07 0.00 0.26 0.00 0.00 34.13 33.35 3ixd s GLU 298 CO 0.11 -0.65 0.68 -1.59 -0.54 0.00 0.00 175.26 173.27 3ixd s LYS 299 N 2.35 1.30 0.60 4.30 0.00 -0.54 -4.95 119.74 122.80 3ixd s LYS 299 Ca 0.07 -0.54 -0.13 0.00 0.00 0.00 0.00 55.97 55.37 3ixd s LYS 299 Cb -0.16 0.55 -0.04 0.00 0.00 0.00 0.00 37.83 38.19 3ixd s LYS 299 CO -0.12 -0.57 1.03 0.00 0.00 0.00 0.00 175.35 175.68 3ixd s ALA 300 N -3.67 2.96 -0.33 0.59 0.00 -1.26 -0.80 121.76 119.26 3ixd s ALA 300 Ca 0.04 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.10 3ixd s ALA 300 Cb -0.02 -3.13 0.09 0.00 0.00 0.00 0.00 23.12 20.06 3ixd s ALA 300 CO -0.08 -0.68 0.04 0.42 0.00 0.00 0.00 175.76 175.45 3ixd s ILE 301 N -2.91 2.54 -0.09 0.00 1.01 -0.50 -4.79 121.20 116.46 3ixd s ILE 301 Ca 0.58 -2.01 0.04 0.00 0.00 0.00 0.00 60.65 59.26 3ixd s ILE 301 Cb -0.12 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3ixd s ILE 301 CO 0.46 -0.42 -0.21 0.28 0.00 0.00 0.00 174.94 175.04 3ixd s THR 302 N 1.04 1.83 0.83 2.92 -1.32 -1.26 -2.07 115.64 117.60 3ixd s THR 302 Ca 0.04 -0.89 -0.11 0.00 -1.21 0.00 0.00 61.69 59.51 3ixd s THR 302 Cb -0.20 -1.59 0.09 0.00 -1.51 0.00 0.00 72.50 69.29 3ixd s THR 302 CO -0.06 0.51 1.09 -2.16 -2.21 0.00 0.00 174.62 171.79 3ixd s PRO 303 N 0.34 1.82 0.33 7.08 0.04 -1.26 -5.03 135.00 138.32 3ixd s PRO 303 Ca -0.16 0.78 -0.28 0.00 0.04 0.00 0.00 61.00 61.38 3ixd s PRO 303 Cb -0.17 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 3ixd s PRO 303 CO 0.07 -1.84 1.31 -0.35 0.04 0.00 0.00 177.00 176.23 3ixd n PRO 304 N -3.60 2.13 -1.97 0.56 -0.04 -0.88 -4.90 135.00 126.30 3ixd n PRO 304 Ca 0.07 0.75 -0.42 0.00 -0.04 0.00 0.00 63.50 63.86 3ixd n PRO 304 Cb 0.55 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 3ixd n PRO 304 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3ixd s THR 305 N -0.92 3.31 0.79 0.52 2.01 -0.88 -4.81 115.64 115.66 3ixd s THR 305 Ca 0.57 0.60 -0.15 0.00 0.31 0.00 0.00 61.69 63.02 3ixd s THR 305 Cb -0.58 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 3ixd s THR 305 CO 0.60 -0.03 0.47 -2.65 -0.69 0.00 0.00 174.62 172.33 3ixd n PRO 306 N 6.31 0.13 -1.69 4.92 -0.02 -1.26 -1.18 135.00 142.21 3ixd n PRO 306 Ca 0.16 0.09 -0.44 0.00 -2.02 0.00 0.00 63.50 61.30 3ixd n PRO 306 Cb 0.42 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 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 -2.72 2.12 -2.56 3.55 0.00 -1.26 -4.72 120.51 114.92 3ixd n ALA 307 Ca 0.09 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 3ixd n ALA 307 Cb 0.51 -2.50 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 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 1.75 5.03 0.43 0.00 1.01 -1.26 -4.96 120.40 122.40 3ixd s VAL 308 Ca 0.79 0.31 0.20 0.00 0.00 0.00 0.00 61.98 63.28 3ixd s VAL 308 Cb -0.56 -3.95 0.22 0.00 0.00 0.00 0.00 36.38 32.09 3ixd s VAL 308 CO 0.36 -0.21 2.01 0.03 0.00 0.00 0.00 175.10 177.30 3ixd h ARG 309 N 8.46 0.00 -3.29 2.72 3.08 -1.98 -3.26 114.38 120.11 3ixd h ARG 309 Ca -0.28 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.03 3ixd h ARG 309 Cb 1.13 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.05 3ixd h ARG 309 CO 0.77 0.17 2.33 0.00 -1.07 0.00 0.00 179.97 182.17 3ixd n ALA 310 N -2.41 5.88 -2.67 0.04 0.00 -1.26 -0.62 120.51 119.47 3ixd n ALA 310 Ca -0.02 -4.18 -0.18 0.00 0.00 0.00 0.00 53.44 49.06 3ixd n ALA 310 Cb 0.25 -3.00 -0.12 0.00 0.00 0.00 0.00 19.45 16.58 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 1.01 1.71 -0.51 0.00 0.01 -1.23 -0.88 113.70 113.81 3ixd s SER 311 Ca 0.46 -0.65 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 3ixd s SER 311 Cb 0.13 -0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.36 3ixd s SER 311 CO -0.03 -0.09 0.69 0.86 0.41 0.00 0.00 173.24 175.08 3ixd s TRP 312 N -1.43 3.00 -0.24 2.43 -0.11 0.11 -4.21 118.94 118.49 3ixd s TRP 312 Ca -0.00 -0.38 -0.11 0.00 1.22 0.00 0.00 56.10 56.83 3ixd s TRP 312 Cb -0.09 -3.62 -0.05 0.00 -1.50 0.00 0.00 33.47 28.21 3ixd s TRP 312 CO 0.02 -1.08 0.18 0.08 -4.62 0.00 0.00 176.95 171.53 3ixd s VAL 313 N 2.91 5.35 0.24 5.86 1.01 -0.24 -1.68 120.40 133.86 3ixd s VAL 313 Ca 0.19 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 3ixd s VAL 313 Cb -0.17 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 3ixd s VAL 313 CO 0.14 0.33 0.48 -1.38 0.00 0.00 0.00 175.10 174.67 3ixd s HIS 314 N 1.11 0.32 -0.25 5.22 -0.00 0.09 -0.91 115.29 120.88 3ixd s HIS 314 Ca 0.08 -0.68 -0.20 0.00 -0.00 0.00 0.00 55.06 54.26 3ixd s HIS 314 Cb -0.14 0.20 0.07 0.00 -0.00 0.00 0.00 32.58 32.71 3ixd s HIS 314 CO 0.05 -0.98 0.64 0.21 -0.00 0.00 0.00 174.74 174.66 3ixd s LYS 315 N -4.00 0.72 0.31 -0.38 2.47 -0.69 -1.64 119.74 116.52 3ixd s LYS 315 Ca 0.21 0.97 0.01 0.00 -1.56 0.00 0.00 55.97 55.60 3ixd s LYS 315 Cb -0.01 0.29 -0.03 0.00 -1.46 0.00 0.00 37.83 36.62 3ixd s LYS 315 CO 0.08 -0.11 0.49 0.95 0.16 0.00 0.00 175.35 176.92 3ixd s THR 316 N 0.71 5.15 -0.13 3.43 -4.23 -1.26 -1.92 115.64 117.39 3ixd s THR 316 Ca -0.03 -0.58 -0.16 0.00 -1.18 0.00 0.00 61.69 59.74 3ixd s THR 316 Cb -0.05 -3.85 0.04 0.00 1.34 0.00 0.00 72.50 69.98 3ixd s THR 316 CO -0.05 -0.47 0.43 -0.83 -0.54 0.00 0.00 174.62 173.17 3ixd s GLY 317 N -3.93 -0.32 -0.01 3.99 0.00 0.75 -3.59 107.32 104.22 3ixd s GLY 317 Ca 0.38 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 46.15 3ixd s GLY 317 CO 0.34 0.90 0.07 0.00 0.00 0.00 0.00 173.10 174.41 3ixd s ALA 318 N -0.14 -0.17 0.38 3.20 0.00 -1.26 0.14 121.76 123.91 3ixd s ALA 318 Ca -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.82 3ixd s ALA 318 Cb -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3ixd s ALA 318 CO 0.02 -0.14 0.05 0.25 0.00 0.00 0.00 175.76 175.94 3ixd n THR 319 N 2.06 0.00 -0.31 0.00 -2.24 -0.77 -4.24 114.28 108.78 3ixd n THR 319 Ca -0.19 -1.92 0.11 0.00 -2.27 0.00 0.00 64.05 59.77 3ixd n THR 319 Cb 0.57 0.51 0.28 0.00 -2.10 0.00 0.00 70.33 69.59 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 1.12 1.51 -0.64 3.38 0.00 -2.00 -3.10 103.07 103.34 3ixd h GLY 320 Ca -0.31 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3ixd h GLY 320 CO 0.50 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.48 3ixd n GLY 321 N -1.33 2.36 3.04 4.60 0.00 -1.26 -4.38 105.19 108.22 3ixd n GLY 321 Ca 0.20 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.93 0.66 -0.10 1.61 0.40 -1.17 -2.00 117.98 116.45 3ixd s PHE 322 Ca 0.11 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 3ixd s PHE 322 Cb 0.06 -0.40 0.02 0.00 0.51 0.00 0.00 43.02 43.21 3ixd s PHE 322 CO 0.08 -0.05 -0.11 0.20 0.70 0.00 0.00 175.22 176.05 3ixd s GLY 323 N -1.13 0.86 0.13 4.36 0.00 -0.66 -1.85 107.32 109.04 3ixd s GLY 323 Ca -0.06 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.17 3ixd s GLY 323 CO 0.00 0.48 -0.11 -1.35 0.00 0.00 0.00 173.10 172.12 3ixd s SER 324 N 1.25 1.82 -0.19 1.64 1.04 0.12 -0.80 113.70 118.58 3ixd s SER 324 Ca -0.03 -0.92 -0.18 0.00 0.48 0.00 0.00 55.95 55.30 3ixd s SER 324 Cb -0.14 -0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.00 3ixd s SER 324 CO -0.04 -0.26 0.52 -0.47 0.98 0.00 0.00 173.24 173.98 3ixd s TYR 325 N -2.81 -0.57 -0.01 5.02 5.04 -0.08 -0.18 117.35 123.77 3ixd s TYR 325 Ca 0.13 1.37 0.01 0.00 -2.44 0.00 0.00 57.07 56.14 3ixd s TYR 325 Cb -0.01 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.50 3ixd s TYR 325 CO 0.01 -0.29 -0.04 0.08 -1.34 0.00 0.00 175.55 173.98 3ixd s VAL 326 N 0.21 0.34 -0.04 3.14 1.01 -0.81 -0.73 120.40 123.51 3ixd s VAL 326 Ca -0.01 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 3ixd s VAL 326 Cb -0.04 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.06 3ixd s VAL 326 CO 0.01 0.11 0.37 0.00 0.00 0.00 0.00 175.10 175.59 3ixd s ALA 327 N 0.13 -0.93 -0.01 5.51 0.00 -0.72 -1.70 121.76 124.04 3ixd s ALA 327 Ca -0.01 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 3ixd s ALA 327 Cb -0.04 -0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.07 3ixd s ALA 327 CO -0.00 -0.26 0.64 -0.59 0.00 0.00 0.00 175.76 175.55 3ixd s PHE 328 N -1.01 -0.61 -0.30 0.00 -0.71 -0.08 -0.63 117.98 114.65 3ixd s PHE 328 Ca -0.11 0.93 0.03 0.00 -1.04 0.00 0.00 56.93 56.74 3ixd s PHE 328 Cb -0.04 0.42 0.08 0.00 -1.21 0.00 0.00 43.02 42.27 3ixd s PHE 328 CO 0.04 -0.64 -0.01 0.42 -1.34 0.00 0.00 175.22 173.70 3ixd s ILE 329 N -1.68 1.96 0.15 -4.49 1.01 0.00 -1.07 121.20 117.08 3ixd s ILE 329 Ca -0.09 -1.85 -0.17 0.00 0.00 0.00 0.00 60.65 58.54 3ixd s ILE 329 Cb -0.00 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.17 3ixd s ILE 329 CO 0.05 -0.37 1.74 -0.65 0.00 0.00 0.00 174.94 175.71 3ixd h PRO 330 N 7.77 0.18 -0.96 2.79 0.11 -1.72 -1.70 132.00 138.47 3ixd h PRO 330 Ca -0.12 -0.01 0.27 0.00 0.11 0.00 0.00 66.00 66.26 3ixd h PRO 330 Cb 1.03 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 31.96 3ixd h PRO 330 CO 0.48 0.12 0.48 1.49 -0.21 0.00 0.00 178.00 180.36 3ixd h GLU 331 N 0.19 0.35 -0.04 1.05 4.81 -1.20 -0.54 114.58 119.20 3ixd h GLU 331 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3ixd h GLU 331 Cb 0.15 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3ixd h GLU 331 CO -0.19 0.23 0.00 1.63 -0.73 0.00 0.00 179.01 179.96 3ixd n LYS 332 N -5.06 2.11 -3.97 1.92 4.76 -0.71 -4.94 118.16 112.27 3ixd n LYS 332 Ca 0.27 -1.61 -0.29 0.00 -2.87 0.00 0.00 58.31 53.81 3ixd n LYS 332 Cb 0.82 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 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 0.95 -4.33 -4.59 1.97 -0.58 -0.21 -4.73 120.64 109.12 3ixd n GLU 333 Ca 0.16 0.50 -0.21 0.00 -0.42 0.00 0.00 57.16 57.18 3ixd n GLU 333 Cb 0.51 -5.13 -0.15 0.00 -0.57 0.00 0.00 31.44 26.10 3ixd n GLU 333 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3ixd s LEU 334 N -7.12 2.02 0.17 -4.62 2.96 -1.10 -3.24 118.68 107.75 3ixd s LEU 334 Ca 0.44 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.94 3ixd s LEU 334 Cb -0.23 -0.67 0.04 0.00 0.50 0.00 0.00 46.19 45.83 3ixd s LEU 334 CO 0.87 0.16 0.49 -0.83 -1.32 0.00 0.00 176.35 175.72 3ixd s GLY 335 N -0.30 -0.22 -0.05 7.98 0.00 -0.39 -0.82 107.32 113.51 3ixd s GLY 335 Ca 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 44.72 44.61 3ixd s GLY 335 CO -0.00 -0.22 0.21 -1.50 0.00 0.00 0.00 173.10 171.59 3ixd s ILE 336 N -3.83 0.03 -0.08 0.90 2.07 0.20 0.27 121.20 120.76 3ixd s ILE 336 Ca 0.06 -0.26 0.03 0.00 -1.41 0.00 0.00 60.65 59.07 3ixd s ILE 336 Cb 0.00 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.20 3ixd s ILE 336 CO -0.07 -0.14 -0.18 -0.69 -1.91 0.00 0.00 174.94 171.94 3ixd s VAL 337 N -0.50 1.58 -0.15 4.00 1.01 0.59 -1.75 120.40 125.16 3ixd s VAL 337 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3ixd s VAL 337 Cb -0.04 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.98 3ixd s VAL 337 CO 0.01 0.45 -0.14 -0.04 0.00 0.00 0.00 175.10 175.38 3ixd s MET 338 N 0.43 2.33 -0.19 2.72 -1.94 0.09 -1.02 119.30 121.73 3ixd s MET 338 Ca -0.15 -0.59 0.01 0.00 -1.71 0.00 0.00 55.69 53.25 3ixd s MET 338 Cb -0.16 -2.16 0.02 0.00 2.01 0.00 0.00 34.83 34.55 3ixd s MET 338 CO 0.06 -0.25 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.12 3ixd s LEU 339 N 1.47 2.27 0.05 -0.03 1.43 -0.25 -0.90 118.68 122.71 3ixd s LEU 339 Ca 0.05 -0.72 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 3ixd s LEU 339 Cb -0.13 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 3ixd s LEU 339 CO -0.11 -0.02 -0.24 0.00 0.23 0.00 0.00 176.35 176.22 3ixd s ALA 340 N 1.27 2.01 -0.30 4.21 0.00 0.02 -1.48 121.76 127.49 3ixd s ALA 340 Ca 0.04 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 3ixd s ALA 340 Cb -0.14 -0.40 0.24 0.00 0.00 0.00 0.00 23.12 22.82 3ixd s ALA 340 CO -0.12 0.46 1.91 0.27 0.00 0.00 0.00 175.76 178.28 3ixd n ASN 341 N 1.75 5.91 -3.69 0.00 6.94 -1.02 -1.65 115.26 123.49 3ixd n ASN 341 Ca -0.17 -3.02 -0.13 0.00 -0.02 0.00 0.00 54.58 51.24 3ixd n ASN 341 Cb 0.53 -0.98 -0.09 0.00 -2.36 0.00 0.00 39.78 36.87 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 -1.79 0.61 -1.01 -3.83 2.20 -0.85 -2.03 119.74 113.04 3ixd s LYS 342 Ca 0.31 0.73 -0.17 0.00 -0.36 0.00 0.00 55.97 56.48 3ixd s LYS 342 Cb 0.24 0.29 0.15 0.00 -1.51 0.00 0.00 37.83 37.00 3ixd s LYS 342 CO 0.01 -0.07 1.19 1.21 -0.36 0.00 0.00 175.35 177.32 3ixd s ASN 343 N 0.31 6.77 0.46 1.43 2.47 -1.26 -2.03 114.94 123.09 3ixd s ASN 343 Ca -0.00 -2.37 -0.01 0.00 0.42 0.00 0.00 52.86 50.89 3ixd s ASN 343 Cb -0.04 -2.39 -0.01 0.00 -1.45 0.00 0.00 41.25 37.37 3ixd s ASN 343 CO 0.00 -0.93 0.70 -0.72 -3.72 0.00 0.00 177.10 172.43 3ixd s TYR 344 N 2.17 3.28 0.25 0.43 -0.85 -1.26 -4.91 117.35 116.46 3ixd s TYR 344 Ca 0.35 0.35 -0.30 0.00 -0.52 0.00 0.00 57.07 56.95 3ixd s TYR 344 Cb -0.05 -2.34 -0.11 0.00 0.38 0.00 0.00 41.96 39.85 3ixd s TYR 344 CO -0.07 -0.38 1.52 -2.14 -1.52 0.00 0.00 175.55 172.96 3ixd s PRO 345 N -4.61 4.21 0.28 -3.49 0.02 -1.26 -4.93 135.00 125.21 3ixd s PRO 345 Ca 0.48 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.92 3ixd s PRO 345 Cb -0.10 -3.09 0.67 0.00 0.02 0.00 0.00 34.50 32.01 3ixd s PRO 345 CO 0.39 -0.53 1.64 -0.91 -0.33 0.00 0.00 177.00 177.27 3ixd h ASN 346 N 5.28 -0.10 -0.96 2.53 2.35 -2.00 -0.97 115.58 121.71 3ixd h ASN 346 Ca -0.46 0.21 0.20 0.00 -0.55 0.00 0.00 56.30 55.70 3ixd h ASN 346 Cb 1.22 0.30 -0.11 0.00 0.05 0.00 0.00 38.32 39.77 3ixd h ASN 346 CO 0.81 -0.18 0.54 -0.65 -1.65 0.00 0.00 177.43 176.29 3ixd h PRO 347 N 0.17 0.61 -0.02 0.81 0.11 -1.98 -0.92 132.00 130.79 3ixd h PRO 347 Ca 0.54 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.55 3ixd h PRO 347 Cb 1.07 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3ixd h PRO 347 CO -0.68 0.41 -0.26 0.00 -0.21 0.00 0.00 178.00 177.25 3ixd h ALA 348 N 1.66 1.53 -0.04 -0.75 0.00 -1.54 -0.26 119.26 119.85 3ixd h ALA 348 Ca 0.57 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3ixd h ALA 348 Cb 0.96 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3ixd h ALA 348 CO -0.43 0.35 -0.07 0.00 0.00 0.00 0.00 179.25 179.10 3ixd h ARG 349 N 0.03 0.13 -0.40 0.00 3.08 -1.18 -2.34 114.38 113.70 3ixd h ARG 349 Ca 0.00 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3ixd h ARG 349 Cb 0.48 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3ixd h ARG 349 CO 0.03 0.64 -0.04 0.28 -1.07 0.00 0.00 179.97 179.82 3ixd h VAL 350 N -0.38 1.23 0.74 2.04 2.07 -1.16 -1.54 116.25 119.26 3ixd h VAL 350 Ca 0.00 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 3ixd h VAL 350 Cb 0.64 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3ixd h VAL 350 CO 0.02 0.34 -0.36 0.44 0.02 0.00 0.00 177.57 178.03 3ixd h ASP 351 N 0.62 -0.85 -0.72 0.57 3.32 -1.05 -1.97 116.42 116.34 3ixd h ASP 351 Ca 0.12 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.32 3ixd h ASP 351 Cb 0.45 0.22 -0.09 0.00 0.22 0.00 0.00 39.33 40.13 3ixd h ASP 351 CO 0.02 -0.58 0.29 0.00 -1.72 0.00 0.00 179.24 177.25 3ixd h ALA 352 N -0.81 0.99 -0.25 3.45 0.00 -1.30 -2.04 119.26 119.30 3ixd h ALA 352 Ca -0.10 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3ixd h ALA 352 Cb 0.78 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ixd h ALA 352 CO 0.17 -0.19 -0.22 0.00 0.00 0.00 0.00 179.25 179.01 3ixd h ALA 353 N 1.51 0.36 -0.12 0.00 0.00 -1.26 -2.67 119.26 117.07 3ixd h ALA 353 Ca 0.38 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ixd h ALA 353 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ixd h ALA 353 CO -0.37 0.31 0.07 2.35 0.00 0.00 0.00 179.25 181.61 3ixd h TRP 354 N 0.29 0.16 -0.74 0.00 7.01 -1.14 0.27 115.95 121.80 3ixd h TRP 354 Ca 0.04 0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.20 3ixd h TRP 354 Cb 0.77 -0.05 -0.13 0.00 -2.10 0.00 0.00 29.16 27.64 3ixd h TRP 354 CO 0.07 0.13 -0.06 1.96 -2.79 0.00 0.00 178.44 177.75 3ixd h GLN 355 N 0.14 0.06 0.32 2.65 4.20 -1.33 0.31 115.11 121.45 3ixd h GLN 355 Ca 0.04 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3ixd h GLN 355 Cb 0.02 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3ixd h GLN 355 CO -0.01 0.04 -0.15 0.82 -0.67 0.00 0.00 178.83 178.86 3ixd h ILE 356 N 0.06 0.55 -0.49 2.54 2.04 -1.08 -2.23 117.51 118.91 3ixd h ILE 356 Ca 0.39 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3ixd h ILE 356 Cb 0.66 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3ixd h ILE 356 CO -0.69 0.12 0.27 -0.07 0.00 0.00 0.00 178.15 177.77 3ixd h LEU 357 N -0.90 0.59 -0.38 1.44 3.38 -0.70 -2.05 115.31 116.69 3ixd h LEU 357 Ca -0.04 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 3ixd h LEU 357 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3ixd h LEU 357 CO 0.07 0.48 -0.33 -1.13 0.09 0.00 0.00 178.44 177.62 3ixd h ASN 358 N 0.68 0.95 -0.36 -0.43 -1.24 -0.44 0.21 115.58 114.94 3ixd h ASN 358 Ca 0.18 -0.45 0.03 0.00 0.71 0.00 0.00 56.30 56.76 3ixd h ASN 358 Cb 0.01 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.78 3ixd h ASN 358 CO -0.03 1.21 0.24 0.00 -1.29 0.00 0.00 177.43 177.56 3ixd h ALA 359 N 0.77 1.87 -0.02 1.57 0.00 -0.78 -2.89 119.26 119.78 3ixd h ALA 359 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ixd h ALA 359 Cb 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ixd h ALA 359 CO 0.09 0.09 -0.46 1.28 0.00 0.00 0.00 179.25 180.25 3ixd n LEU 360 N -4.49 2.09 0.00 0.00 4.77 -0.83 -5.09 117.00 113.45 3ixd n LEU 360 Ca 0.03 -0.77 0.05 0.00 -0.03 0.00 0.00 56.01 55.29 3ixd n LEU 360 Cb 0.15 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.54 3ixd n LEU 360 CO 0.35 0.39 0.52 1.67 -1.33 0.00 0.00 177.39 178.99