#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iac s THR 3 N 0.00 3.28 -1.37 0.00 2.01 -1.26 -5.19 115.64 113.11 3iac s THR 3 Ca 0.00 -0.53 -0.09 0.00 0.31 0.00 0.00 61.69 61.38 3iac s THR 3 Cb 0.00 -2.48 -0.11 0.00 0.01 0.00 0.00 72.50 69.92 3iac s THR 3 CO 0.00 0.44 3.06 0.33 -0.69 0.00 0.00 174.62 177.76 3iac n PHE 4 N 4.63 2.05 -3.47 4.92 7.35 -1.26 -5.06 117.46 126.62 3iac n PHE 4 Ca -0.18 -2.84 -0.02 0.00 -0.76 0.00 0.00 57.45 53.64 3iac n PHE 4 Cb 0.51 -2.34 -0.00 0.00 0.35 0.00 0.00 39.48 38.00 3iac n PHE 4 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3iac n THR 6 N 3.36 0.00 0.71 -2.13 -2.24 -1.26 -4.95 114.28 107.76 3iac n THR 6 Ca 0.73 -0.29 0.09 0.00 -2.27 0.00 0.00 64.05 62.31 3iac n THR 6 Cb 0.34 0.20 0.42 0.00 -2.10 0.00 0.00 70.33 69.19 3iac n THR 6 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iac n GLU 7 N -0.11 0.06 -0.75 -0.78 -0.58 -1.26 -1.99 120.64 115.24 3iac n GLU 7 Ca -0.01 0.16 0.07 0.00 -0.42 0.00 0.00 57.16 56.97 3iac n GLU 7 Cb 0.11 -1.50 0.35 0.00 -0.57 0.00 0.00 31.44 29.84 3iac n GLU 7 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3iac n ASP 8 N -1.46 5.09 -4.65 1.62 8.00 -1.26 -5.01 116.55 118.88 3iac n ASP 8 Ca 0.06 -2.98 -0.56 0.00 0.71 0.00 0.00 54.79 52.01 3iac n ASP 8 Cb 0.21 -0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 40.60 3iac n ASP 8 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3iac n PHE 9 N 0.20 1.70 -0.87 1.24 7.35 -0.84 -0.63 117.46 125.62 3iac n PHE 9 Ca 0.26 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.62 3iac n PHE 9 Cb 1.10 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 38.57 3iac n PHE 9 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3iac n LEU 10 N 3.85 0.50 -4.33 -2.13 4.77 -1.26 -4.94 117.00 113.47 3iac n LEU 10 Ca 0.23 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 3iac n LEU 10 Cb 0.13 -1.11 -0.09 0.00 -2.33 0.00 0.00 43.42 40.02 3iac n LEU 10 CO 0.73 -0.37 -0.06 -0.76 -1.33 0.00 0.00 177.39 175.60 3iac s LEU 11 N 0.00 5.29 -0.01 2.23 1.43 0.20 -4.65 118.68 123.17 3iac s LEU 11 Ca 0.00 -1.39 0.16 0.00 -1.03 0.00 0.00 54.13 51.87 3iac s LEU 11 Cb 0.00 -2.07 0.46 0.00 0.03 0.00 0.00 46.19 44.62 3iac s LEU 11 CO 0.00 -0.56 1.39 0.29 0.23 0.00 0.00 176.35 177.69 3iac n LYS 12 N 5.03 2.86 -3.67 1.70 5.02 -1.26 -4.87 118.16 122.97 3iac n LYS 12 Ca -0.11 -2.35 -0.12 0.00 -2.02 0.00 0.00 58.31 53.71 3iac n LYS 12 Cb 0.43 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 3iac n LYS 12 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iac s ASN 13 N -1.02 -0.24 0.25 4.39 2.20 -1.26 -5.06 114.94 114.20 3iac s ASN 13 Ca 0.35 -0.14 -0.04 0.00 -0.94 0.00 0.00 52.86 52.09 3iac s ASN 13 Cb 0.19 0.43 0.37 0.00 -2.00 0.00 0.00 41.25 40.24 3iac s ASN 13 CO 0.23 -0.72 1.84 0.44 -2.94 0.00 0.00 177.10 175.95 3iac h ASP 14 N 2.82 0.82 -0.81 3.54 3.32 -1.94 -2.13 116.42 122.04 3iac h ASP 14 Ca -0.32 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 3iac h ASP 14 Cb 1.22 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 3iac h ASP 14 CO 0.45 0.51 0.38 0.40 -1.72 0.00 0.00 179.24 179.26 3iac h ILE 15 N 0.95 1.26 -0.42 0.35 2.04 -1.97 -1.92 117.51 117.79 3iac h ILE 15 Ca 0.39 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3iac h ILE 15 Cb 0.24 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3iac h ILE 15 CO -0.20 0.31 0.21 0.00 0.00 0.00 0.00 178.15 178.48 3iac h ALA 16 N 1.24 0.55 -0.66 1.87 0.00 -1.60 0.14 119.26 120.80 3iac h ALA 16 Ca 0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3iac h ALA 16 Cb 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3iac h ALA 16 CO -0.03 0.10 0.40 0.00 0.00 0.00 0.00 179.25 179.71 3iac h ARG 17 N 0.55 0.90 -0.12 0.00 3.08 -1.12 -0.28 114.38 117.39 3iac h ARG 17 Ca 0.15 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3iac h ARG 17 Cb 0.10 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3iac h ARG 17 CO -0.02 0.64 0.02 1.15 -1.07 0.00 0.00 179.97 180.69 3iac h THR 18 N 0.90 1.21 -0.40 2.04 2.02 -1.04 -1.03 112.91 116.61 3iac h THR 18 Ca 0.24 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.78 3iac h THR 18 Cb -0.03 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 3iac h THR 18 CO -0.04 0.20 0.19 -0.07 0.37 0.00 0.00 175.52 176.16 3iac h LEU 19 N -0.03 0.27 0.30 2.58 3.38 -0.78 -0.29 115.31 120.74 3iac h LEU 19 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3iac h LEU 19 Cb 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3iac h LEU 19 CO 0.00 0.20 -0.14 0.22 0.09 0.00 0.00 178.44 178.81 3iac h TYR 20 N 0.39 -0.38 0.00 1.13 3.20 -1.01 -1.15 116.97 119.16 3iac h TYR 20 Ca 0.17 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 3iac h TYR 20 Cb 0.09 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3iac h TYR 20 CO -0.11 -0.05 -0.51 0.45 -1.64 0.00 0.00 178.16 176.31 3iac h HIS 21 N -0.75 0.00 0.02 -3.82 3.86 -1.16 0.44 115.15 113.75 3iac h HIS 21 Ca -0.04 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.82 3iac h HIS 21 Cb 0.50 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.91 3iac h HIS 21 CO 0.02 0.51 -2.12 1.63 0.86 0.00 0.00 177.93 178.83 3iac n LYS 22 N -3.82 0.68 -0.00 2.45 4.76 -0.13 -4.66 118.16 117.43 3iac n LYS 22 Ca -0.01 0.16 -0.00 0.00 -2.87 0.00 0.00 58.31 55.59 3iac n LYS 22 Cb 0.54 -1.64 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 3iac n LYS 22 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3iac n TYR 23 N -3.05 0.00 -0.09 2.13 4.01 -0.51 -4.83 117.16 114.81 3iac n TYR 23 Ca -0.30 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.30 3iac n TYR 23 Cb 1.08 -0.04 -0.07 0.00 -0.31 0.00 0.00 39.34 40.00 3iac n TYR 23 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iac n ALA 24 N -2.01 0.64 -0.26 -0.72 0.00 -0.72 -4.52 120.51 112.93 3iac n ALA 24 Ca -0.01 -0.46 0.06 0.00 0.00 0.00 0.00 53.44 53.02 3iac n ALA 24 Cb 0.50 -0.30 0.19 0.00 0.00 0.00 0.00 19.45 19.85 3iac n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iac h ALA 25 N -0.73 1.04 -0.76 0.00 0.00 -1.18 -3.46 119.26 114.18 3iac h ALA 25 Ca -0.20 0.13 -0.60 0.00 0.00 0.00 0.00 54.91 54.25 3iac h ALA 25 Cb 0.95 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3iac h ALA 25 CO -0.12 -0.26 1.94 -2.30 0.00 0.00 0.00 179.25 178.51 3iac n PRO 26 N -5.05 2.82 -4.38 0.00 -0.02 -1.26 -5.10 135.00 122.01 3iac n PRO 26 Ca 0.15 -3.09 -0.28 0.00 -2.02 0.00 0.00 63.50 58.26 3iac n PRO 26 Cb 0.44 -3.56 -0.07 0.00 -0.02 0.00 0.00 33.50 30.30 3iac n PRO 26 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iac s PRO 28 N 4.76 2.17 -0.20 0.52 0.04 -1.26 -5.16 135.00 135.88 3iac s PRO 28 Ca 0.57 -2.11 -0.05 0.00 0.04 0.00 0.00 61.00 59.45 3iac s PRO 28 Cb 0.03 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 3iac s PRO 28 CO 0.09 -0.29 -0.00 0.42 0.04 0.00 0.00 177.00 177.27 3iac s ILE 29 N -2.75 3.95 -0.76 0.56 1.01 -0.74 -4.73 121.20 117.75 3iac s ILE 29 Ca 0.27 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 3iac s ILE 29 Cb 0.03 -2.78 0.19 0.00 0.01 0.00 0.00 42.46 39.91 3iac s ILE 29 CO 0.15 0.43 0.62 -0.47 0.00 0.00 0.00 174.94 175.67 3iac s TYR 30 N 0.98 3.63 -1.26 3.97 6.14 -1.26 -0.80 117.35 128.75 3iac s TYR 30 Ca 0.02 -2.61 -0.15 0.00 0.64 0.00 0.00 57.07 54.96 3iac s TYR 30 Cb -0.14 -3.39 0.12 0.00 0.42 0.00 0.00 41.96 38.97 3iac s TYR 30 CO 0.02 -0.86 1.61 -3.47 0.64 0.00 0.00 175.55 173.49 3iac n ASP 31 N 3.31 5.06 0.00 4.32 2.03 -1.26 -4.82 116.55 125.19 3iac n ASP 31 Ca 0.13 -2.95 0.04 0.00 0.52 0.00 0.00 54.79 52.53 3iac n ASP 31 Cb 0.40 -1.65 0.20 0.00 -0.72 0.00 0.00 41.12 39.35 3iac n ASP 31 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 3iac n PHE 32 N 6.83 0.00 -3.49 -0.67 1.16 -1.26 -1.26 117.46 118.78 3iac n PHE 32 Ca 0.43 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.95 3iac n PHE 32 Cb 0.44 -0.37 -0.07 0.00 -1.61 0.00 0.00 39.48 37.87 3iac n PHE 32 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3iac s HIS 33 N -2.74 -1.03 0.32 2.97 5.04 -1.25 -4.20 115.29 114.41 3iac s HIS 33 Ca 0.06 1.49 -0.06 0.00 -1.54 0.00 0.00 55.06 55.01 3iac s HIS 33 Cb 0.06 0.35 0.00 0.00 0.04 0.00 0.00 32.58 33.03 3iac s HIS 33 CO 0.14 -0.65 0.49 0.00 -2.34 0.00 0.00 174.74 172.39 3iac n HIS 35 N -0.50 0.35 -2.10 0.00 8.25 0.94 -2.54 115.22 119.61 3iac n HIS 35 Ca -0.01 -1.46 -0.36 0.00 -0.26 0.00 0.00 57.72 55.63 3iac n HIS 35 Cb 0.62 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 31.50 3iac n HIS 35 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3iac s LEU 36 N -2.87 3.69 -0.25 2.41 1.43 -1.02 -4.06 118.68 118.02 3iac s LEU 36 Ca 0.39 2.30 -0.29 0.00 -1.03 0.00 0.00 54.13 55.50 3iac s LEU 36 Cb 0.38 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 42.01 3iac s LEU 36 CO -0.07 -1.45 1.19 -0.55 0.23 0.00 0.00 176.35 175.70 3iac s SER 37 N -1.68 6.89 0.30 2.29 0.15 -1.26 -4.77 113.70 115.63 3iac s SER 37 Ca 0.75 1.34 -0.01 0.00 0.70 0.00 0.00 55.95 58.73 3iac s SER 37 Cb -0.28 -2.54 0.46 0.00 -1.71 0.00 0.00 66.02 61.95 3iac s SER 37 CO 0.31 -0.87 1.95 -0.65 1.20 0.00 0.00 173.24 175.18 3iac h PRO 38 N 8.36 1.01 -0.65 5.44 0.11 -1.98 -2.21 132.00 142.09 3iac h PRO 38 Ca -0.24 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 3iac h PRO 38 Cb 1.08 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 3iac h PRO 38 CO 1.01 0.70 0.13 -0.56 -0.21 0.00 0.00 178.00 179.07 3iac h GLN 39 N 1.03 1.05 -0.36 1.05 -0.00 -1.92 0.29 115.11 116.24 3iac h GLN 39 Ca 0.27 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.65 58.64 3iac h GLN 39 Cb -0.05 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.48 27.27 3iac h GLN 39 CO -0.05 0.94 0.12 0.93 -0.00 0.00 0.00 178.83 180.77 3iac h GLU 40 N 0.99 0.52 -0.03 0.06 5.08 -1.82 0.23 114.58 119.61 3iac h GLU 40 Ca 0.20 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3iac h GLU 40 Cb 0.39 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3iac h GLU 40 CO 0.01 0.46 -0.10 0.82 -1.00 0.00 0.00 179.01 179.19 3iac h ILE 41 N 0.52 1.46 -0.71 3.13 2.04 -1.00 -1.15 117.51 121.80 3iac h ILE 41 Ca 0.12 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.47 3iac h ILE 41 Cb 0.16 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 3iac h ILE 41 CO -0.01 0.41 0.45 0.00 0.00 0.00 0.00 178.15 179.00 3iac h ALA 42 N 0.42 0.90 -0.01 1.87 0.00 -0.50 -2.33 119.26 119.61 3iac h ALA 42 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iac h ALA 42 Cb 0.72 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3iac h ALA 42 CO 0.02 0.34 -0.08 -0.25 0.00 0.00 0.00 179.25 179.28 3iac n ASP 43 N -4.57 0.67 -3.64 0.00 8.00 0.78 -4.95 116.55 112.84 3iac n ASP 43 Ca 0.06 -0.87 -0.30 0.00 0.71 0.00 0.00 54.79 54.40 3iac n ASP 43 Cb 0.03 -0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.16 3iac n ASP 43 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3iac n ASP 44 N -0.70 -5.49 -4.59 -2.24 2.03 -0.74 -4.81 116.55 100.01 3iac n ASP 44 Ca 0.17 -0.98 -0.47 0.00 0.52 0.00 0.00 54.79 54.02 3iac n ASP 44 Cb 0.27 -3.56 -0.03 0.00 -0.72 0.00 0.00 41.12 37.08 3iac n ASP 44 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3iac n ARG 45 N -4.08 1.33 -3.95 -0.67 0.63 -0.51 -4.50 116.66 104.91 3iac n ARG 45 Ca -0.09 0.47 -0.35 0.00 -0.92 0.00 0.00 57.85 56.96 3iac n ARG 45 Cb 0.59 -1.97 -0.11 0.00 0.45 0.00 0.00 32.46 31.42 3iac n ARG 45 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3iac s ARG 46 N -0.59 3.78 -0.03 -0.14 6.06 -1.26 -0.77 118.95 125.99 3iac s ARG 46 Ca 0.70 -0.43 -0.18 0.00 -2.50 0.00 0.00 55.73 53.31 3iac s ARG 46 Cb -0.79 -3.22 -0.05 0.00 0.06 0.00 0.00 34.95 30.94 3iac s ARG 46 CO 0.53 0.05 0.50 -0.06 -2.50 0.00 0.00 175.30 173.82 3iac s PHE 47 N 0.96 3.65 0.18 5.12 0.08 -1.26 -4.99 117.98 121.72 3iac s PHE 47 Ca 0.03 1.05 -0.06 0.00 0.12 0.00 0.00 56.93 58.07 3iac s PHE 47 Cb -0.14 -2.49 0.09 0.00 -0.57 0.00 0.00 43.02 39.91 3iac s PHE 47 CO 0.03 0.39 1.53 -0.44 -0.10 0.00 0.00 175.22 176.63 3iac h ASP 48 N 5.63 0.77 -5.12 1.36 3.32 -1.98 -3.42 116.42 117.00 3iac h ASP 48 Ca -0.46 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.21 3iac h ASP 48 Cb 1.20 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 40.44 3iac h ASP 48 CO 0.69 1.09 0.02 0.54 -1.72 0.00 0.00 179.24 179.86 3iac s ASN 49 N -6.86 -0.21 0.38 6.45 2.20 -1.26 -4.94 114.94 110.70 3iac s ASN 49 Ca -0.09 -0.64 0.06 0.00 -0.94 0.00 0.00 52.86 51.25 3iac s ASN 49 Cb 0.12 0.60 0.76 0.00 -2.00 0.00 0.00 41.25 40.74 3iac s ASN 49 CO 0.85 -1.13 2.01 0.25 -2.94 0.00 0.00 177.10 176.14 3iac h LEU 50 N 2.19 0.51 -0.49 3.54 5.85 -1.89 -2.33 115.31 122.69 3iac h LEU 50 Ca -0.26 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 3iac h LEU 50 Cb 1.26 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3iac h LEU 50 CO 0.34 0.42 0.05 1.23 -0.34 0.00 0.00 178.44 180.15 3iac h GLY 51 N 0.67 0.89 1.02 3.75 0.00 -1.97 -2.04 103.07 105.39 3iac h GLY 51 Ca 0.15 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3iac h GLY 51 CO -0.02 0.57 0.54 -1.61 0.00 0.00 0.00 176.54 176.02 3iac h GLN 52 N 0.70 1.26 0.00 4.80 4.15 -1.77 0.09 115.11 124.33 3iac h GLN 52 Ca 0.14 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 3iac h GLN 52 Cb 0.44 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3iac h GLN 52 CO 0.02 0.89 -0.76 0.97 -1.93 0.00 0.00 178.83 178.02 3iac h ILE 53 N 1.27 0.20 0.00 2.39 2.10 -1.45 -3.42 117.51 118.60 3iac h ILE 53 Ca 0.33 -1.33 -0.23 0.00 1.08 0.00 0.00 64.86 64.71 3iac h ILE 53 Cb -0.03 1.84 -0.04 0.00 -1.09 0.00 0.00 36.82 37.50 3iac h ILE 53 CO -0.06 0.11 -1.80 1.87 -1.08 0.00 0.00 178.15 177.19 3iac n TRP 54 N -2.89 0.00 0.00 2.19 -0.00 -0.77 -4.67 117.44 111.30 3iac n TRP 54 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.38 3iac n TRP 54 Cb 0.62 -0.52 -0.07 0.00 -0.00 0.00 0.00 31.31 31.33 3iac n TRP 54 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3iac h LEU 55 N -0.27 -1.26 -0.79 5.87 3.38 -1.15 -2.40 115.31 118.70 3iac h LEU 55 Ca -0.34 0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.90 3iac h LEU 55 Cb 1.40 0.49 -0.08 0.00 0.09 0.00 0.00 40.66 42.55 3iac h LEU 55 CO -0.14 -0.36 0.40 -0.08 0.09 0.00 0.00 178.44 178.35 3iac h GLU 56 N -0.44 0.60 0.00 1.13 4.81 -1.85 -3.43 114.58 115.39 3iac h GLU 56 Ca 0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3iac h GLU 56 Cb 0.51 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3iac h GLU 56 CO -0.31 0.40 0.00 0.41 -0.73 0.00 0.00 179.01 178.78 3iac n GLY 57 N -1.32 2.26 1.00 1.92 0.00 -0.90 -0.81 105.19 107.34 3iac n GLY 57 Ca 0.14 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 3iac n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iac n ASP 58 N 1.51 2.27 -0.27 1.61 8.00 -1.26 -4.58 116.55 123.83 3iac n ASP 58 Ca 0.00 -3.80 -0.04 0.00 0.71 0.00 0.00 54.79 51.66 3iac n ASP 58 Cb 0.00 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.48 3iac n ASP 58 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3iac n HIS 59 N -1.12 0.00 0.06 1.24 8.25 0.01 -4.87 115.22 118.79 3iac n HIS 59 Ca 0.29 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.54 3iac n HIS 59 Cb 0.94 -1.38 -0.12 0.00 1.12 0.00 0.00 29.99 30.55 3iac n HIS 59 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3iac h TYR 60 N 0.00 0.98 -0.48 4.41 -1.99 -1.92 -2.53 116.97 115.43 3iac h TYR 60 Ca -0.07 -0.57 -0.02 0.00 2.00 0.00 0.00 58.73 60.07 3iac h TYR 60 Cb 0.59 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 3iac h TYR 60 CO 0.33 1.41 0.21 0.87 -0.00 0.00 0.00 178.16 180.97 3iac h LYS 61 N 0.27 0.71 -0.60 4.88 1.57 -1.86 -1.25 116.57 120.29 3iac h LYS 61 Ca -0.15 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3iac h LYS 61 Cb 1.74 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.88 3iac h LYS 61 CO 0.21 0.62 0.32 -1.49 -0.57 0.00 0.00 179.45 178.54 3iac h TRP 62 N 0.63 0.60 -0.76 -1.35 6.55 -1.83 0.32 115.95 120.11 3iac h TRP 62 Ca 0.16 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.99 3iac h TRP 62 Cb 0.16 -0.18 -0.03 0.00 -0.86 0.00 0.00 29.16 28.25 3iac h TRP 62 CO -0.00 0.29 0.32 -0.09 -1.05 0.00 0.00 178.44 177.92 3iac h ARG 63 N 0.62 1.11 -0.35 0.49 2.43 -1.19 -1.30 114.38 116.19 3iac h ARG 63 Ca 0.26 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3iac h ARG 63 Cb 0.15 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3iac h ARG 63 CO -0.16 0.89 -0.02 0.00 -1.51 0.00 0.00 179.97 179.16 3iac h ALA 64 N 1.26 0.48 -0.38 2.80 0.00 0.04 -0.81 119.26 122.65 3iac h ALA 64 Ca 0.26 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3iac h ALA 64 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3iac h ALA 64 CO -0.03 0.26 0.22 -0.07 0.00 0.00 0.00 179.25 179.64 3iac h LEU 65 N 0.44 0.36 -0.56 0.00 3.38 -0.18 -0.27 115.31 118.48 3iac h LEU 65 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3iac h LEU 65 Cb 0.49 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3iac h LEU 65 CO 0.02 0.26 0.21 0.03 0.09 0.00 0.00 178.44 179.05 3iac h ARG 66 N 0.45 0.85 -0.51 1.13 3.08 -1.14 -1.24 114.38 117.01 3iac h ARG 66 Ca 0.15 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3iac h ARG 66 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3iac h ARG 66 CO -0.07 0.75 0.24 0.77 -1.07 0.00 0.00 179.97 180.60 3iac h SER 67 N 0.77 0.63 0.39 7.04 0.02 -0.83 -0.67 113.55 120.90 3iac h SER 67 Ca 0.18 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3iac h SER 67 Cb 0.23 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3iac h SER 67 CO -0.01 0.54 0.00 0.00 -1.14 0.00 0.00 176.83 176.22 3iac n ALA 68 N -2.46 2.33 -0.68 3.77 0.00 -0.14 -4.90 120.51 118.43 3iac n ALA 68 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3iac n ALA 68 Cb 0.12 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3iac n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iac n GLY 69 N 0.84 0.62 3.75 0.00 0.00 -0.26 -5.04 105.19 105.10 3iac n GLY 69 Ca 0.14 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3iac n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iac s VAL 70 N -2.00 3.39 0.53 1.61 1.01 -0.51 -4.98 120.40 119.46 3iac s VAL 70 Ca 0.00 1.27 -0.22 0.00 0.00 0.00 0.00 61.98 63.03 3iac s VAL 70 Cb 0.00 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 3iac s VAL 70 CO 0.00 0.25 1.32 -0.62 0.00 0.00 0.00 175.10 176.04 3iac s ASP 71 N -0.26 5.43 0.58 3.32 -1.08 -1.26 -4.54 116.67 118.85 3iac s ASP 71 Ca 0.50 2.67 0.33 0.00 -0.52 0.00 0.00 52.55 55.52 3iac s ASP 71 Cb -0.34 -2.63 1.78 0.00 -1.46 0.00 0.00 42.92 40.27 3iac s ASP 71 CO 0.40 -1.46 2.19 -0.08 0.52 0.00 0.00 175.17 176.75 3iac h GLU 72 N 1.54 0.00 0.00 4.34 4.57 -1.98 -2.02 114.58 121.03 3iac h GLU 72 Ca -0.51 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 3iac h GLU 72 Cb 1.29 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3iac h GLU 72 CO 0.58 0.05 -0.10 0.66 -1.18 0.00 0.00 179.01 179.01 3iac h SER 73 N 0.00 0.00 -0.46 1.04 4.64 -1.94 -1.29 113.55 115.54 3iac h SER 73 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iac h SER 73 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3iac h SER 73 CO 0.01 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 176.25 3iac n LEU 74 N -4.07 2.54 0.04 5.97 4.77 -0.76 -2.95 117.00 122.55 3iac n LEU 74 Ca -0.02 -1.25 -0.00 0.00 -0.03 0.00 0.00 56.01 54.70 3iac n LEU 74 Cb 0.19 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3iac n LEU 74 CO 0.32 0.63 -0.05 -0.38 -1.33 0.00 0.00 177.39 176.58 3iac n ILE 75 N 0.89 1.15 -0.03 -0.08 5.41 -0.58 -4.47 119.36 121.65 3iac n ILE 75 Ca 0.16 0.37 0.00 0.00 1.00 0.00 0.00 62.75 64.28 3iac n ILE 75 Cb 0.41 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 3iac n ILE 75 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3iac n THR 76 N -3.48 0.00 -1.78 1.39 -2.24 -0.67 -4.96 114.28 102.53 3iac n THR 76 Ca -0.00 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 3iac n THR 76 Cb 0.05 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 3iac n THR 76 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3iac s GLY 77 N -0.35 1.89 0.16 3.38 0.00 -0.97 -4.90 107.32 106.53 3iac s GLY 77 Ca 0.00 1.56 0.27 0.00 0.00 0.00 0.00 44.72 46.55 3iac s GLY 77 CO 0.00 2.62 1.81 0.28 0.00 0.00 0.00 173.10 177.81 3iac n LYS 78 N 2.65 0.20 -0.28 2.90 4.76 -1.26 -3.54 118.16 123.58 3iac n LYS 78 Ca 0.10 0.17 0.06 0.00 -2.87 0.00 0.00 58.31 55.77 3iac n LYS 78 Cb 0.37 -1.73 0.19 0.00 -1.84 0.00 0.00 35.03 32.01 3iac n LYS 78 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3iac n GLU 79 N -2.08 2.24 -4.20 1.97 0.00 -1.26 -4.86 120.64 112.46 3iac n GLU 79 Ca 0.06 -1.50 -0.17 0.00 0.00 0.00 0.00 57.16 55.55 3iac n GLU 79 Cb 0.40 -1.48 -0.12 0.00 0.00 0.00 0.00 31.44 30.24 3iac n GLU 79 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 3iac s THR 80 N -1.60 0.93 0.76 3.84 -4.23 -1.23 -5.09 115.64 109.01 3iac s THR 80 Ca 0.27 -1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 59.57 3iac s THR 80 Cb 0.16 -0.89 0.05 0.00 1.34 0.00 0.00 72.50 73.15 3iac s THR 80 CO 0.15 -0.18 1.09 -0.94 -0.54 0.00 0.00 174.62 174.20 3iac s SER 81 N -1.43 4.83 0.27 3.99 1.04 -1.26 -4.89 113.70 116.25 3iac s SER 81 Ca -0.03 1.35 -0.03 0.00 0.48 0.00 0.00 55.95 57.72 3iac s SER 81 Cb -0.09 -2.13 0.38 0.00 0.10 0.00 0.00 66.02 64.28 3iac s SER 81 CO 0.01 -1.76 1.92 0.44 0.98 0.00 0.00 173.24 174.84 3iac h ASP 82 N -0.94 1.05 -0.70 7.02 3.32 -1.99 -1.99 116.42 122.19 3iac h ASP 82 Ca -0.46 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 3iac h ASP 82 Cb 1.25 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 3iac h ASP 82 CO 0.59 0.72 0.21 0.22 -1.72 0.00 0.00 179.24 179.26 3iac h TYR 83 N 1.22 1.14 -0.58 4.55 3.20 -1.98 -0.33 116.97 124.19 3iac h TYR 83 Ca 0.38 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 3iac h TYR 83 Cb -0.01 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 37.91 3iac h TYR 83 CO -0.00 0.92 0.18 0.93 -1.64 0.00 0.00 178.16 178.55 3iac h GLU 84 N 1.04 0.90 -0.51 1.82 5.08 -1.82 -2.50 114.58 118.59 3iac h GLU 84 Ca 0.22 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3iac h GLU 84 Cb 0.32 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3iac h GLU 84 CO -0.00 0.81 0.06 0.87 -1.00 0.00 0.00 179.01 179.74 3iac h LYS 85 N 0.81 0.82 -0.77 2.33 1.57 -1.10 -1.62 116.57 118.61 3iac h LYS 85 Ca 0.19 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3iac h LYS 85 Cb 0.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3iac h LYS 85 CO -0.01 0.78 0.00 0.98 -0.57 0.00 0.00 179.45 180.64 3iac n TYR 86 N -4.24 0.00 0.00 -1.35 9.36 -0.16 -1.80 117.16 118.97 3iac n TYR 86 Ca 0.03 -0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.21 3iac n TYR 86 Cb 0.27 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 3iac n TYR 86 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3iac n ALA 88 N 0.57 0.00 -0.02 2.98 0.00 -0.61 -0.61 120.51 122.82 3iac n ALA 88 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3iac n ALA 88 Cb 0.07 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.54 3iac n ALA 88 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3iac h TRP 89 N 0.00 0.83 -0.68 0.00 -0.00 -1.62 -2.44 115.95 112.03 3iac h TRP 89 Ca 0.00 -0.31 -0.03 0.00 -0.00 0.00 0.00 58.89 58.55 3iac h TRP 89 Cb 0.00 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.16 28.98 3iac h TRP 89 CO 0.00 1.08 0.30 0.00 -0.00 0.00 0.00 178.44 179.81 3iac h ALA 90 N 0.86 1.24 0.00 2.65 0.00 -1.14 -0.43 119.26 122.44 3iac h ALA 90 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3iac h ALA 90 Cb 1.16 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3iac h ALA 90 CO 0.12 0.57 -0.05 -0.91 0.00 0.00 0.00 179.25 178.98 3iac h ASN 91 N 0.97 0.00 0.31 0.00 2.35 -1.78 -3.25 115.58 114.19 3iac h ASN 91 Ca 0.23 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.66 3iac h ASN 91 Cb 0.15 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 3iac h ASN 91 CO -0.03 0.05 -1.88 0.41 -1.65 0.00 0.00 177.43 174.33 3iac n THR 92 N -3.15 1.66 -0.29 2.81 -1.04 -0.48 -4.44 114.28 109.35 3iac n THR 92 Ca 0.01 -0.74 0.05 0.00 -2.04 0.00 0.00 64.05 61.32 3iac n THR 92 Cb 0.35 -1.28 0.19 0.00 -1.82 0.00 0.00 70.33 67.77 3iac n THR 92 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3iac h VAL 93 N 0.03 0.81 0.00 12.58 2.07 -1.21 0.97 116.25 131.50 3iac h VAL 93 Ca -0.36 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3iac h VAL 93 Cb 2.03 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3iac h VAL 93 CO 0.08 0.12 0.03 -0.65 0.02 0.00 0.00 177.57 177.17 3iac h PRO 94 N 0.68 0.00 -0.05 1.57 0.11 -1.78 0.40 132.00 132.94 3iac h PRO 94 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3iac h PRO 94 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3iac h PRO 94 CO -0.31 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.11 3iac n LYS 95 N -2.55 1.75 -0.38 1.05 5.02 0.33 -4.28 118.16 119.11 3iac n LYS 95 Ca -0.02 -1.10 0.11 0.00 -2.02 0.00 0.00 58.31 55.28 3iac n LYS 95 Cb 0.07 -1.46 0.32 0.00 -0.02 0.00 0.00 35.03 33.93 3iac n LYS 95 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3iac n THR 96 N 0.33 1.06 -1.63 -0.18 -2.24 0.13 -5.00 114.28 106.76 3iac n THR 96 Ca 0.18 -1.02 -0.49 0.00 -2.27 0.00 0.00 64.05 60.45 3iac n THR 96 Cb 0.38 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 3iac n THR 96 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3iac n LEU 97 N 1.54 2.32 0.00 3.22 4.77 -1.26 -0.82 117.00 126.77 3iac n LEU 97 Ca 0.24 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 3iac n LEU 97 Cb 0.63 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 3iac n LEU 97 CO 0.17 -0.69 0.00 0.61 -1.33 0.00 0.00 177.39 176.15 3iac n GLY 98 N 2.96 3.31 3.83 -0.72 0.00 -1.26 -5.04 105.19 108.26 3iac n GLY 98 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3iac n GLY 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iac s ASN 99 N -0.50 6.95 0.61 1.61 3.84 0.00 -4.96 114.94 122.49 3iac s ASN 99 Ca 0.00 1.20 0.31 0.00 0.21 0.00 0.00 52.86 54.59 3iac s ASN 99 Cb 0.00 -2.34 1.81 0.00 -0.55 0.00 0.00 41.25 40.18 3iac s ASN 99 CO 0.00 0.16 2.17 1.55 -2.79 0.00 0.00 177.10 178.19 3iac h PRO 100 N 3.90 0.00 -1.00 0.43 0.13 -1.97 -1.75 132.00 131.75 3iac h PRO 100 Ca -0.49 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.86 3iac h PRO 100 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 3iac h PRO 100 CO 0.65 0.00 0.62 -0.07 -0.23 0.00 0.00 178.00 178.97 3iac h LEU 101 N 0.00 0.65 -1.03 1.56 3.38 -1.93 0.20 115.31 118.14 3iac h LEU 101 Ca 0.04 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3iac h LEU 101 Cb 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3iac h LEU 101 CO -0.00 0.18 -0.19 0.22 0.09 0.00 0.00 178.44 178.75 3iac h TYR 102 N 0.60 0.52 0.01 1.13 3.20 -1.51 -0.97 116.97 119.95 3iac h TYR 102 Ca 0.59 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.36 3iac h TYR 102 Cb 1.14 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.27 3iac h TYR 102 CO -0.00 0.64 -0.00 0.45 -1.64 0.00 0.00 178.16 177.60 3iac h HIS 103 N 0.43 -0.01 -0.59 -3.82 3.86 -1.09 -3.14 115.15 110.79 3iac h HIS 103 Ca 0.07 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.35 3iac h HIS 103 Cb 0.57 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.99 3iac h HIS 103 CO 0.02 0.70 0.29 -1.49 0.86 0.00 0.00 177.93 178.31 3iac h TRP 104 N -0.73 0.52 -0.32 2.45 6.55 -0.61 0.16 115.95 123.98 3iac h TRP 104 Ca -0.00 0.02 0.06 0.00 0.95 0.00 0.00 58.89 59.93 3iac h TRP 104 Cb 0.71 -0.15 -0.06 0.00 -0.86 0.00 0.00 29.16 28.80 3iac h TRP 104 CO 0.18 0.23 -0.08 1.15 -1.05 0.00 0.00 178.44 178.86 3iac h THR 105 N 0.54 0.68 0.00 1.49 2.02 -1.27 0.56 112.91 116.93 3iac h THR 105 Ca 0.27 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.33 3iac h THR 105 Cb 0.22 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3iac h THR 105 CO -0.20 0.00 -0.58 0.45 0.37 0.00 0.00 175.52 175.56 3iac h HIS 106 N -0.00 0.00 -0.33 3.16 3.86 -1.40 -1.55 115.15 118.89 3iac h HIS 106 Ca 0.15 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 3iac h HIS 106 Cb 0.23 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3iac h HIS 106 CO -0.30 0.58 -0.20 -0.07 0.86 0.00 0.00 177.93 178.80 3iac h LEU 107 N 0.00 0.74 -0.69 2.43 3.38 -0.60 -2.30 115.31 118.27 3iac h LEU 107 Ca -0.01 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 3iac h LEU 107 Cb 1.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3iac h LEU 107 CO 0.08 1.00 -0.32 -0.33 0.09 0.00 0.00 178.44 178.96 3iac h GLU 108 N 0.48 0.65 0.00 1.13 5.08 -0.82 0.50 114.58 121.59 3iac h GLU 108 Ca 0.07 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 3iac h GLU 108 Cb 0.74 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3iac h GLU 108 CO 0.06 0.89 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.47 3iac h LEU 109 N 0.55 0.00 0.02 1.33 3.38 -1.28 -3.19 115.31 116.12 3iac h LEU 109 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3iac h LEU 109 Cb 0.82 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.58 3iac h LEU 109 CO 0.07 0.41 -0.23 -0.09 0.09 0.00 0.00 178.44 178.69 3iac h ARG 110 N 0.00 0.12 -4.24 1.13 2.43 -0.98 0.16 114.38 113.01 3iac h ARG 110 Ca -0.00 -0.16 -0.50 0.00 -0.81 0.00 0.00 59.98 58.51 3iac h ARG 110 Cb 0.85 0.05 -0.36 0.00 -0.42 0.00 0.00 29.97 30.09 3iac h ARG 110 CO 0.05 0.97 -0.80 1.03 -1.51 0.00 0.00 179.97 179.72 3iac s ARG 111 N -2.76 1.41 0.00 0.20 0.52 0.13 -0.67 118.95 117.78 3iac s ARG 111 Ca -0.17 -0.24 0.20 0.00 -0.52 0.00 0.00 55.73 55.00 3iac s ARG 111 Cb -0.01 -1.40 0.60 0.00 0.52 0.00 0.00 34.95 34.66 3iac s ARG 111 CO 0.73 -0.17 1.47 -0.35 0.02 0.00 0.00 175.30 177.00 3iac n PRO 112 N 4.57 1.98 0.00 3.54 -0.04 -1.21 -4.10 135.00 139.74 3iac n PRO 112 Ca -0.16 -1.48 0.14 0.00 -0.04 0.00 0.00 63.50 61.96 3iac n PRO 112 Cb 0.51 -1.41 0.63 0.00 -0.04 0.00 0.00 33.50 33.18 3iac n PRO 112 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3iac n PHE 113 N 0.70 0.00 -1.75 0.54 3.72 -1.24 -4.93 117.46 114.50 3iac n PHE 113 Ca 0.17 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.40 3iac n PHE 113 Cb 0.41 -0.48 -0.05 0.00 -0.94 0.00 0.00 39.48 38.41 3iac n PHE 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iac n GLY 114 N 1.47 1.00 3.59 1.37 0.00 0.15 -4.93 105.19 107.85 3iac n GLY 114 Ca 0.08 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3iac n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iac s ILE 115 N -2.68 5.21 0.28 -0.61 1.01 0.55 -4.95 121.20 120.01 3iac s ILE 115 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 60.65 61.05 3iac s ILE 115 Cb 0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3iac s ILE 115 CO 0.00 0.14 0.10 0.42 0.00 0.00 0.00 174.94 175.60 3iac s THR 116 N 1.98 0.63 -1.47 2.92 -4.23 -1.26 -3.05 115.64 111.15 3iac s THR 116 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3iac s THR 116 Cb -0.16 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.04 3iac s THR 116 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3iac n GLY 117 N -0.52 -0.34 3.09 3.99 0.00 -1.26 -4.96 105.19 105.19 3iac n GLY 117 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3iac n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iac s THR 118 N -2.81 -0.03 -0.02 2.61 -1.32 -1.26 -5.14 115.64 107.67 3iac s THR 118 Ca 0.00 0.13 -0.23 0.00 -1.21 0.00 0.00 61.69 60.38 3iac s THR 118 Cb 0.00 -0.40 -0.05 0.00 -1.51 0.00 0.00 72.50 70.54 3iac s THR 118 CO 0.00 0.05 0.68 -0.76 -2.21 0.00 0.00 174.62 172.38 3iac s LEU 119 N 1.15 4.39 -0.06 9.08 1.43 -1.26 -5.03 118.68 128.38 3iac s LEU 119 Ca -0.08 1.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.96 3iac s LEU 119 Cb -0.09 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 3iac s LEU 119 CO -0.08 -0.00 1.11 0.12 0.23 0.00 0.00 176.35 177.72 3iac s PHE 120 N 0.22 3.37 -0.00 0.29 5.36 -1.26 -4.66 117.98 121.30 3iac s PHE 120 Ca 0.35 1.41 -0.18 0.00 -0.96 0.00 0.00 56.93 57.55 3iac s PHE 120 Cb -0.19 -3.31 0.06 0.00 -0.34 0.00 0.00 43.02 39.25 3iac s PHE 120 CO 0.19 -0.78 0.83 0.41 -1.46 0.00 0.00 175.22 174.41 3iac n GLY 121 N 3.21 0.39 0.38 13.12 0.00 -1.26 -4.46 105.19 116.57 3iac n GLY 121 Ca 0.10 -0.98 0.16 0.00 0.00 0.00 0.00 46.02 45.29 3iac n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iac h PRO 122 N 0.00 0.53 0.00 1.61 0.11 -1.93 -0.01 132.00 132.31 3iac h PRO 122 Ca -0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3iac h PRO 122 Cb 0.78 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3iac h PRO 122 CO 0.21 0.35 0.00 -0.44 -0.21 0.00 0.00 178.00 177.91 3iac h ASP 123 N 0.54 0.00 0.00 -2.05 3.32 -1.94 -3.35 116.42 112.94 3iac h ASP 123 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 3iac h ASP 123 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3iac h ASP 123 CO -0.21 0.00 -0.90 0.35 -1.72 0.00 0.00 179.24 176.77 3iac n THR 124 N -2.58 0.00 -0.29 0.35 -2.24 -0.77 -4.80 114.28 103.94 3iac n THR 124 Ca 0.05 -0.21 0.07 0.00 -2.27 0.00 0.00 64.05 61.69 3iac n THR 124 Cb 0.45 0.59 0.22 0.00 -2.10 0.00 0.00 70.33 69.50 3iac n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iac h ALA 125 N 0.55 1.25 -0.30 6.98 0.00 -1.17 -1.66 119.26 124.91 3iac h ALA 125 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3iac h ALA 125 Cb 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3iac h ALA 125 CO 0.00 -0.13 0.06 1.49 0.00 0.00 0.00 179.25 180.67 3iac h GLU 126 N 0.58 0.49 -0.19 0.00 4.81 -1.86 0.24 114.58 118.65 3iac h GLU 126 Ca 0.46 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 3iac h GLU 126 Cb 0.68 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3iac h GLU 126 CO -0.38 0.58 0.04 1.03 -0.73 0.00 0.00 179.01 179.55 3iac h SER 127 N 0.32 0.30 -1.00 1.04 0.87 -1.86 -2.22 113.55 111.00 3iac h SER 127 Ca 0.09 -0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 3iac h SER 127 Cb 0.32 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 3iac h SER 127 CO 0.00 0.47 0.66 0.40 -0.53 0.00 0.00 176.83 177.83 3iac h ILE 128 N 0.11 1.21 -0.04 2.23 2.04 -1.18 -1.59 117.51 120.30 3iac h ILE 128 Ca 0.06 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3iac h ILE 128 Cb 0.29 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 3iac h ILE 128 CO 0.00 0.24 -0.06 -0.25 0.00 0.00 0.00 178.15 178.08 3iac h TRP 129 N 1.30 -0.16 -0.19 1.37 2.91 -0.79 -0.96 115.95 119.45 3iac h TRP 129 Ca 0.38 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.40 3iac h TRP 129 Cb -0.07 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 3iac h TRP 129 CO -0.00 -0.10 0.08 1.15 -1.03 0.00 0.00 178.44 178.54 3iac h THR 130 N -0.09 1.15 -0.38 2.65 2.02 -1.04 -0.48 112.91 116.73 3iac h THR 130 Ca 0.04 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3iac h THR 130 Cb 0.15 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3iac h THR 130 CO -0.09 0.14 0.18 1.56 0.37 0.00 0.00 175.52 177.68 3iac h GLN 131 N 0.16 0.54 -0.36 6.66 4.20 -1.22 -2.32 115.11 122.77 3iac h GLN 131 Ca 0.06 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 3iac h GLN 131 Cb 0.15 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3iac h GLN 131 CO -0.01 0.48 -0.22 0.00 -0.67 0.00 0.00 178.83 178.41 3iac h ASN 133 N 0.63 0.55 -0.33 0.00 2.35 -0.86 0.19 115.58 118.11 3iac h ASN 133 Ca 0.09 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3iac h ASN 133 Cb 0.71 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3iac h ASN 133 CO 0.05 0.56 -0.08 -0.33 -1.65 0.00 0.00 177.43 175.99 3iac h GLU 134 N 0.58 0.63 -0.54 0.81 5.08 -1.26 -2.49 114.58 117.40 3iac h GLU 134 Ca 0.13 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3iac h GLU 134 Cb 0.25 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3iac h GLU 134 CO -0.00 0.81 0.24 0.87 -1.00 0.00 0.00 179.01 179.93 3iac h LYS 135 N 0.41 0.79 0.00 2.33 1.57 -1.10 -2.54 116.57 118.02 3iac h LYS 135 Ca 0.08 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3iac h LYS 135 Cb 0.58 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3iac h LYS 135 CO 0.03 0.67 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.48 3iac h LEU 136 N 0.72 0.00 0.00 2.94 3.38 -0.55 -1.37 115.31 120.43 3iac h LEU 136 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3iac h LEU 136 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3iac h LEU 136 CO -0.02 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3iac n ALA 137 N -2.16 2.33 -2.87 1.53 0.00 -0.95 -4.42 120.51 113.97 3iac n ALA 137 Ca -0.02 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 3iac n ALA 137 Cb 0.17 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 3iac n ALA 137 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iac s THR 138 N -2.86 5.31 0.31 0.00 -4.23 -0.52 -5.03 115.64 108.62 3iac s THR 138 Ca 0.18 -0.40 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 3iac s THR 138 Cb 0.19 -3.67 0.30 0.00 1.34 0.00 0.00 72.50 70.65 3iac s THR 138 CO 0.49 0.02 1.85 -0.65 -0.54 0.00 0.00 174.62 175.79 3iac h PRO 139 N 2.66 0.86 -0.04 3.99 0.11 -1.88 -1.63 132.00 136.06 3iac h PRO 139 Ca -0.46 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3iac h PRO 139 Cb 1.17 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3iac h PRO 139 CO 0.73 0.57 0.07 0.00 -0.21 0.00 0.00 178.00 179.15 3iac h ALA 140 N 1.56 1.45 -0.52 -0.75 0.00 -1.91 -2.27 119.26 116.82 3iac h ALA 140 Ca 0.48 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.25 3iac h ALA 140 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 3iac h ALA 140 CO -0.24 -0.09 0.12 1.19 0.00 0.00 0.00 179.25 180.23 3iac n PHE 141 N -3.59 1.72 -2.15 0.00 3.01 -0.61 -2.91 117.46 112.93 3iac n PHE 141 Ca -0.02 -1.18 -0.27 0.00 1.01 0.00 0.00 57.45 56.99 3iac n PHE 141 Cb 0.15 -0.53 0.14 0.00 -0.01 0.00 0.00 39.48 39.22 3iac n PHE 141 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3iac s SER 142 N -1.61 3.83 0.14 4.37 1.04 -0.86 -4.72 113.70 115.90 3iac s SER 142 Ca 0.49 0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.83 3iac s SER 142 Cb 0.40 -0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 3iac s SER 142 CO 0.09 -2.25 1.60 0.00 0.98 0.00 0.00 173.24 173.67 3iac h ALA 143 N -1.13 -0.38 -0.57 5.32 0.00 -1.18 0.15 119.26 121.47 3iac h ALA 143 Ca -0.42 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 3iac h ALA 143 Cb 1.26 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3iac h ALA 143 CO 0.44 -0.81 0.12 0.00 0.00 0.00 0.00 179.25 179.01 3iac h ARG 144 N -0.39 0.93 -0.72 0.00 3.08 -1.86 -3.00 114.38 112.43 3iac h ARG 144 Ca 0.11 -0.23 0.09 0.00 0.07 0.00 0.00 59.98 60.01 3iac h ARG 144 Cb 0.56 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 3iac h ARG 144 CO -0.40 0.87 0.38 0.78 -1.07 0.00 0.00 179.97 180.53 3iac h GLY 145 N 0.83 1.09 -2.06 0.04 0.00 -1.55 -1.33 103.07 100.09 3iac h GLY 145 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3iac h GLY 145 CO 0.01 0.09 0.00 1.39 0.00 0.00 0.00 176.54 178.02 3iac n ILE 146 N -4.83 0.36 0.00 2.60 5.41 0.46 -1.26 119.36 122.11 3iac n ILE 146 Ca 0.11 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.85 3iac n ILE 146 Cb 0.25 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 3iac n ILE 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iac n GLN 148 N 0.86 0.00 0.00 0.38 1.13 -0.50 -4.64 117.38 114.61 3iac n GLN 148 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3iac n GLN 148 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.53 3iac n GLN 148 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3iac n GLN 149 N 0.00 0.00 -1.92 -1.09 6.02 -0.39 -4.44 117.38 115.55 3iac n GLN 149 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 3iac n GLN 149 Cb 0.00 -1.49 0.04 0.00 1.02 0.00 0.00 30.24 29.81 3iac n GLN 149 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3iac n ASN 151 N 1.42 -1.24 -4.70 1.08 5.15 -1.26 -5.08 115.26 110.63 3iac n ASN 151 Ca 0.00 -2.09 -0.42 0.00 -0.60 0.00 0.00 54.58 51.47 3iac n ASN 151 Cb 0.00 0.51 -0.03 0.00 -0.53 0.00 0.00 39.78 39.73 3iac n ASN 151 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3iac s VAL 152 N 0.07 4.47 -0.74 3.44 1.01 -1.26 -1.79 120.40 125.60 3iac s VAL 152 Ca 0.05 1.77 0.21 0.00 0.00 0.00 0.00 61.98 64.02 3iac s VAL 152 Cb 0.25 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 32.24 3iac s VAL 152 CO -0.07 0.09 0.81 -1.14 0.00 0.00 0.00 175.10 174.79 3iac n ARG 153 N 4.30 0.18 -3.58 2.72 3.00 0.02 -4.79 116.66 118.51 3iac n ARG 153 Ca 0.08 -0.05 -0.12 0.00 -0.00 0.00 0.00 57.85 57.76 3iac n ARG 153 Cb 0.48 -1.51 -0.06 0.00 0.00 0.00 0.00 32.46 31.38 3iac n ARG 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3iac s VAL 155 N -3.14 0.00 -0.24 5.15 -7.23 -0.42 -2.37 120.40 112.15 3iac s VAL 155 Ca 0.04 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.23 3iac s VAL 155 Cb 0.15 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 36.14 3iac s VAL 155 CO 0.87 0.00 -0.13 -0.83 -0.31 0.00 0.00 175.10 174.71 3iac s GLY 156 N -0.76 1.58 0.75 2.32 0.00 -0.39 -1.22 107.32 109.61 3iac s GLY 156 Ca -0.03 -1.59 -0.09 0.00 0.00 0.00 0.00 44.72 43.01 3iac s GLY 156 CO 0.02 0.51 1.08 -0.51 0.00 0.00 0.00 173.10 174.20 3iac s THR 157 N 1.18 2.20 -0.24 0.90 -4.23 -0.09 -0.35 115.64 115.00 3iac s THR 157 Ca -0.04 -0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.30 3iac s THR 157 Cb -0.18 -3.01 0.02 0.00 1.34 0.00 0.00 72.50 70.67 3iac s THR 157 CO -0.07 -0.02 -0.06 -0.89 -0.54 0.00 0.00 174.62 173.05 3iac s THR 158 N -3.38 2.96 0.17 3.99 2.01 -1.05 -1.40 115.64 118.93 3iac s THR 158 Ca 0.61 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.72 3iac s THR 158 Cb -0.11 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 3iac s THR 158 CO 0.47 0.23 -0.10 -1.81 -0.69 0.00 0.00 174.62 172.72 3iac s ASP 159 N 1.35 2.00 -0.00 3.53 1.11 0.19 -4.91 116.67 119.94 3iac s ASP 159 Ca 0.01 -1.05 -0.07 0.00 0.18 0.00 0.00 52.55 51.62 3iac s ASP 159 Cb -0.16 -0.04 -0.05 0.00 1.07 0.00 0.00 42.92 43.74 3iac s ASP 159 CO -0.04 -0.32 0.27 -0.62 1.18 0.00 0.00 175.17 175.64 3iac s ASP 160 N -3.23 6.51 0.45 0.27 -1.08 -1.26 -0.97 116.67 117.36 3iac s ASP 160 Ca 0.20 0.59 0.27 0.00 -0.52 0.00 0.00 52.55 53.09 3iac s ASP 160 Cb 0.02 -2.10 1.32 0.00 -1.46 0.00 0.00 42.92 40.70 3iac s ASP 160 CO 0.03 0.27 1.73 -0.65 0.52 0.00 0.00 175.17 177.07 3iac h PRO 161 N 4.13 0.20 -0.00 4.34 0.11 -1.94 0.55 132.00 139.39 3iac h PRO 161 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3iac h PRO 161 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3iac h PRO 161 CO 0.65 0.13 -0.02 0.44 -0.21 0.00 0.00 178.00 178.99 3iac n ILE 162 N -4.52 0.00 -2.20 4.15 -5.35 -1.26 -4.90 119.36 105.29 3iac n ILE 162 Ca 0.30 -0.04 -0.34 0.00 -0.27 0.00 0.00 62.75 62.39 3iac n ILE 162 Cb 1.16 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 3iac n ILE 162 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3iac s ASP 163 N -2.20 5.82 0.15 7.28 1.01 0.18 -4.96 116.67 123.95 3iac s ASP 163 Ca 0.39 1.98 0.05 0.00 0.71 0.00 0.00 52.55 55.67 3iac s ASP 163 Cb 0.21 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.51 3iac s ASP 163 CO 0.40 -1.14 1.34 0.77 0.21 0.00 0.00 175.17 176.75 3iac h SER 164 N 0.90 0.13 -1.26 0.27 4.64 -1.90 -3.48 113.55 112.86 3iac h SER 164 Ca -0.48 -0.12 -0.30 0.00 -0.47 0.00 0.00 61.79 60.41 3iac h SER 164 Cb 1.24 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 63.20 3iac h SER 164 CO 0.57 1.00 -0.32 0.18 -0.87 0.00 0.00 176.83 177.39 3iac n LEU 165 N -3.53 -1.32 -0.33 5.97 4.77 -1.26 -4.91 117.00 116.39 3iac n LEU 165 Ca -0.02 0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 56.17 3iac n LEU 165 Cb 0.87 -2.21 0.16 0.00 -2.33 0.00 0.00 43.42 39.91 3iac n LEU 165 CO 0.47 -0.54 1.28 1.05 -1.33 0.00 0.00 177.39 178.32 3iac h GLU 166 N 0.00 1.20 -0.04 3.23 4.11 -2.00 -1.78 114.58 119.30 3iac h GLU 166 Ca -0.32 -0.07 -0.12 0.00 0.07 0.00 0.00 59.36 58.92 3iac h GLU 166 Cb 1.08 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3iac h GLU 166 CO 0.44 0.79 -0.50 1.88 0.07 0.00 0.00 179.01 181.69 3iac h TYR 167 N 1.24 0.14 -0.29 2.06 0.05 -1.91 -0.89 116.97 117.36 3iac h TYR 167 Ca 0.35 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 59.05 3iac h TYR 167 Cb -0.10 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 3iac h TYR 167 CO -0.00 0.60 0.04 0.45 -1.05 0.00 0.00 178.16 178.20 3iac h HIS 168 N 0.09 0.52 -0.72 4.88 3.86 -1.73 -1.23 115.15 120.82 3iac h HIS 168 Ca 0.00 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.08 3iac h HIS 168 Cb 0.92 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 3iac h HIS 168 CO 0.01 0.58 0.24 0.00 0.86 0.00 0.00 177.93 179.62 3iac h ARG 169 N 0.30 1.10 -0.71 2.45 3.08 -1.07 0.09 114.38 119.62 3iac h ARG 169 Ca 0.09 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3iac h ARG 169 Cb 0.35 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3iac h ARG 169 CO 0.01 0.92 0.41 0.37 -1.07 0.00 0.00 179.97 180.61 3iac h GLN 170 N 1.06 0.98 -0.34 0.04 4.15 -1.02 -0.25 115.11 119.73 3iac h GLN 170 Ca 0.24 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 3iac h GLN 170 Cb 0.27 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3iac h GLN 170 CO -0.01 0.71 -0.05 0.82 -1.93 0.00 0.00 178.83 178.37 3iac h ILE 171 N 0.97 1.27 -0.90 2.39 2.04 -0.70 -2.09 117.51 120.49 3iac h ILE 171 Ca 0.25 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 65.04 3iac h ILE 171 Cb 0.01 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3iac h ILE 171 CO -0.04 0.35 0.60 0.00 0.00 0.00 0.00 178.15 179.06 3iac h ALA 172 N 0.83 1.14 0.00 1.87 0.00 -0.65 -2.12 119.26 120.33 3iac h ALA 172 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iac h ALA 172 Cb 0.53 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iac h ALA 172 CO 0.03 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3iac n ALA 173 N -2.35 2.33 -2.65 0.00 0.00 -0.13 -4.70 120.51 113.01 3iac n ALA 173 Ca 0.10 -0.12 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 3iac n ALA 173 Cb 0.02 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.94 3iac n ALA 173 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iac s ASP 174 N -2.77 6.17 0.00 0.00 -1.08 -0.80 -4.94 116.67 113.26 3iac s ASP 174 Ca 0.21 -0.94 0.18 0.00 -0.52 0.00 0.00 52.55 51.47 3iac s ASP 174 Cb 0.18 -2.22 0.89 0.00 -1.46 0.00 0.00 42.92 40.32 3iac s ASP 174 CO 0.46 -0.64 1.56 0.47 0.52 0.00 0.00 175.17 177.53 3iac n ASP 175 N 5.54 0.00 0.00 -0.34 8.00 -1.26 -2.78 116.55 125.71 3iac n ASP 175 Ca -0.09 0.12 0.15 0.00 0.71 0.00 0.00 54.79 55.68 3iac n ASP 175 Cb 0.46 -0.33 0.84 0.00 -0.02 0.00 0.00 41.12 42.07 3iac n ASP 175 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3iac n SER 176 N -1.33 0.00 -3.86 -2.24 3.41 -1.26 -4.63 113.62 103.70 3iac n SER 176 Ca 0.08 -0.50 -0.26 0.00 -0.26 0.00 0.00 58.87 57.93 3iac n SER 176 Cb 0.16 -0.17 -0.17 0.00 -0.26 0.00 0.00 64.21 63.77 3iac n SER 176 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3iac s ILE 177 N -2.33 0.86 -2.65 -1.33 2.07 -1.12 -5.01 121.20 111.70 3iac s ILE 177 Ca 0.37 -0.24 0.25 0.00 -1.41 0.00 0.00 60.65 59.62 3iac s ILE 177 Cb 0.21 -0.95 0.26 0.00 0.13 0.00 0.00 42.46 42.11 3iac s ILE 177 CO 0.42 0.29 1.38 -0.90 -1.91 0.00 0.00 174.94 174.22 3iac n ASP 178 N 4.99 2.34 -4.71 4.50 5.68 -1.26 -4.90 116.55 123.18 3iac n ASP 178 Ca -0.11 -1.73 -0.42 0.00 -0.50 0.00 0.00 54.79 52.04 3iac n ASP 178 Cb 0.50 0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.53 3iac n ASP 178 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3iac s ILE 179 N -2.10 4.60 -0.03 2.12 1.01 -1.26 -5.01 121.20 120.53 3iac s ILE 179 Ca 0.29 1.87 -0.29 0.00 0.00 0.00 0.00 60.65 62.51 3iac s ILE 179 Cb 0.20 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 3iac s ILE 179 CO 0.36 0.14 0.96 -0.70 0.00 0.00 0.00 174.94 175.70 3iac s GLU 180 N 1.07 4.52 -0.38 2.79 2.12 -1.00 -4.98 118.70 122.84 3iac s GLU 180 Ca 0.54 1.37 0.04 0.00 0.36 0.00 0.00 54.97 57.27 3iac s GLU 180 Cb -0.24 -3.48 0.11 0.00 0.26 0.00 0.00 34.13 30.78 3iac s GLU 180 CO 0.28 -0.10 0.11 0.08 -0.54 0.00 0.00 175.26 175.09 3iac s VAL 181 N 1.21 2.20 -0.11 3.70 1.01 -1.26 -1.30 120.40 125.85 3iac s VAL 181 Ca 0.50 -2.49 -0.09 0.00 0.00 0.00 0.00 61.98 59.90 3iac s VAL 181 Cb -0.20 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3iac s VAL 181 CO 0.25 -0.66 0.20 0.00 0.00 0.00 0.00 175.10 174.89 3iac s ALA 182 N 0.68 3.80 0.49 5.51 0.00 -0.35 -4.92 121.76 126.97 3iac s ALA 182 Ca 0.12 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 3iac s ALA 182 Cb -0.21 -2.10 -0.08 0.00 0.00 0.00 0.00 23.12 20.73 3iac s ALA 182 CO -0.07 0.50 0.95 -1.25 0.00 0.00 0.00 175.76 175.88 3iac s PRO 183 N -0.77 3.95 -0.05 0.00 0.04 -1.26 -0.92 135.00 135.99 3iac s PRO 183 Ca 0.16 0.89 0.05 0.00 0.04 0.00 0.00 61.00 62.15 3iac s PRO 183 Cb -0.13 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 3iac s PRO 183 CO 0.05 -0.21 -0.21 -1.12 0.04 0.00 0.00 177.00 175.56 3iac s SER 184 N -2.98 2.59 -0.46 6.66 0.01 -0.49 -4.11 113.70 114.91 3iac s SER 184 Ca 0.58 -0.43 -0.29 0.00 1.31 0.00 0.00 55.95 57.12 3iac s SER 184 Cb -0.10 -0.67 0.02 0.00 0.21 0.00 0.00 66.02 65.48 3iac s SER 184 CO 0.29 0.20 1.19 0.86 0.41 0.00 0.00 173.24 176.20 3iac s TRP 185 N -0.10 2.74 -0.47 2.43 -0.11 -0.57 -0.63 118.94 122.23 3iac s TRP 185 Ca -0.03 0.73 0.04 0.00 1.22 0.00 0.00 56.10 58.06 3iac s TRP 185 Cb -0.12 -4.37 0.12 0.00 -1.50 0.00 0.00 33.47 27.60 3iac s TRP 185 CO 0.03 -1.40 0.20 0.50 -4.62 0.00 0.00 176.95 171.66 3iac s ARG 186 N 4.52 1.84 -0.16 5.86 3.52 -0.15 -0.19 118.95 134.19 3iac s ARG 186 Ca 0.51 -2.38 0.05 0.00 -0.13 0.00 0.00 55.73 53.77 3iac s ARG 186 Cb -0.09 -3.30 0.37 0.00 -1.56 0.00 0.00 34.95 30.37 3iac s ARG 186 CO 0.31 -1.06 1.27 -0.35 -0.81 0.00 0.00 175.30 174.66 3iac n PRO 187 N 3.49 2.30 -0.37 5.12 -0.04 -1.25 -4.36 135.00 139.89 3iac n PRO 187 Ca 0.05 -1.50 -0.00 0.00 -0.04 0.00 0.00 63.50 62.00 3iac n PRO 187 Cb 0.35 -1.73 0.05 0.00 -0.04 0.00 0.00 33.50 32.13 3iac n PRO 187 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3iac n ASP 188 N 0.02 -0.60 0.28 3.54 9.92 -1.26 -0.54 116.55 127.91 3iac n ASP 188 Ca 0.21 1.67 0.13 0.00 -0.53 0.00 0.00 54.79 56.27 3iac n ASP 188 Cb 0.88 -0.39 0.81 0.00 -0.64 0.00 0.00 41.12 41.78 3iac n ASP 188 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3iac h LYS 189 N 0.00 0.00 -0.20 -1.24 1.57 -1.93 -2.42 116.57 112.35 3iac h LYS 189 Ca 0.34 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.95 3iac h LYS 189 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3iac h LYS 189 CO -0.96 0.02 -0.55 0.28 -0.57 0.00 0.00 179.45 177.68 3iac h VAL 190 N 0.00 1.31 0.00 0.50 2.07 -1.19 -3.34 116.25 115.59 3iac h VAL 190 Ca -0.00 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3iac h VAL 190 Cb 0.06 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3iac h VAL 190 CO 0.00 0.56 -0.98 2.22 0.02 0.00 0.00 177.57 179.39 3iac n PHE 191 N -4.10 0.52 -2.21 1.57 1.16 -1.03 -4.55 117.46 108.82 3iac n PHE 191 Ca -0.06 0.15 -0.42 0.00 -1.87 0.00 0.00 57.45 55.24 3iac n PHE 191 Cb 0.63 -0.64 0.00 0.00 -1.61 0.00 0.00 39.48 37.86 3iac n PHE 191 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3iac n LYS 192 N -2.22 3.35 0.28 3.97 5.02 -0.94 -4.39 118.16 123.23 3iac n LYS 192 Ca 0.01 -3.26 0.16 0.00 -2.02 0.00 0.00 58.31 53.20 3iac n LYS 192 Cb 0.48 -3.07 0.78 0.00 -0.02 0.00 0.00 35.03 33.20 3iac n LYS 192 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3iac h ILE 193 N 3.96 0.27 0.00 -0.18 2.10 -1.83 -2.78 117.51 119.05 3iac h ILE 193 Ca 0.45 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 65.89 3iac h ILE 193 Cb 0.66 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 3iac h ILE 193 CO 1.67 0.07 0.00 -1.84 -1.08 0.00 0.00 178.15 176.97 3iac n GLU 194 N -3.32 0.18 -2.59 2.19 0.00 -1.26 -4.82 120.64 111.02 3iac n GLU 194 Ca -0.01 0.21 -0.36 0.00 0.00 0.00 0.00 57.16 57.00 3iac n GLU 194 Cb 0.25 -1.74 -0.05 0.00 0.00 0.00 0.00 31.44 29.90 3iac n GLU 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3iac s LEU 195 N -4.14 4.12 0.30 -1.84 1.43 -1.05 -4.96 118.68 112.54 3iac s LEU 195 Ca 0.10 1.98 0.05 0.00 -1.03 0.00 0.00 54.13 55.23 3iac s LEU 195 Cb 0.13 -4.22 0.71 0.00 0.03 0.00 0.00 46.19 42.84 3iac s LEU 195 CO 0.53 -0.45 1.79 0.44 0.23 0.00 0.00 176.35 178.88 3iac h ASP 196 N 2.46 0.81 -0.07 2.29 3.32 -1.90 -2.33 116.42 120.99 3iac h ASP 196 Ca -0.48 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3iac h ASP 196 Cb 1.21 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3iac h ASP 196 CO 0.62 0.32 0.00 0.61 -1.72 0.00 0.00 179.24 179.07 3iac n GLY 197 N -1.34 -0.58 0.19 2.75 0.00 -1.26 -4.37 105.19 100.59 3iac n GLY 197 Ca 0.22 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3iac n GLY 197 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3iac h PHE 198 N 0.63 0.37 -0.24 1.61 3.57 -1.71 -0.36 116.94 120.82 3iac h PHE 198 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3iac h PHE 198 Cb 0.14 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3iac h PHE 198 CO 0.05 0.16 0.03 0.28 -2.23 0.00 0.00 178.31 176.60 3iac h VAL 199 N 0.40 1.24 -0.53 1.41 2.07 -1.84 0.69 116.25 119.70 3iac h VAL 199 Ca 0.21 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 66.98 3iac h VAL 199 Cb 0.16 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 3iac h VAL 199 CO -0.18 0.25 0.25 0.44 0.02 0.00 0.00 177.57 178.36 3iac h ASP 200 N 0.19 0.34 -0.44 0.57 3.32 -1.80 -0.98 116.42 117.63 3iac h ASP 200 Ca 0.07 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3iac h ASP 200 Cb 0.35 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3iac h ASP 200 CO 0.01 0.23 0.23 0.22 -1.72 0.00 0.00 179.24 178.21 3iac h TYR 201 N 0.48 0.61 -0.84 4.55 3.20 -0.82 -2.58 116.97 121.57 3iac h TYR 201 Ca 0.24 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.18 3iac h TYR 201 Cb 0.19 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 3iac h TYR 201 CO -0.12 0.48 0.50 1.25 -1.64 0.00 0.00 178.16 178.63 3iac h LEU 202 N 0.57 0.75 -1.26 2.82 5.85 -0.21 0.15 115.31 123.98 3iac h LEU 202 Ca 0.15 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3iac h LEU 202 Cb 0.07 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3iac h LEU 202 CO -0.02 0.45 0.21 0.03 -0.34 0.00 0.00 178.44 178.77 3iac h ARG 203 N 0.87 0.72 -0.32 1.25 3.08 -0.87 0.27 114.38 119.38 3iac h ARG 203 Ca 0.39 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 60.22 3iac h ARG 203 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3iac h ARG 203 CO -0.22 0.59 -0.32 0.87 -1.07 0.00 0.00 179.97 179.82 3iac h LYS 204 N 0.72 0.69 -0.66 0.04 1.57 -0.67 -2.64 116.57 115.63 3iac h LYS 204 Ca 0.18 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 3iac h LYS 204 Cb 0.13 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3iac h LYS 204 CO -0.02 0.92 0.11 1.25 -0.57 0.00 0.00 179.45 181.14 3iac h LEU 205 N 0.59 1.05 -0.43 2.94 5.85 -0.23 -1.27 115.31 123.81 3iac h LEU 205 Ca 0.07 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3iac h LEU 205 Cb 0.84 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3iac h LEU 205 CO 0.07 1.04 0.22 -0.33 -0.34 0.00 0.00 178.44 179.10 3iac h GLU 206 N 1.02 0.42 -0.33 1.25 5.08 -0.83 0.54 114.58 121.73 3iac h GLU 206 Ca 0.20 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 3iac h GLU 206 Cb 0.44 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3iac h GLU 206 CO 0.01 0.28 -0.28 0.00 -1.00 0.00 0.00 179.01 178.02 3iac h ALA 207 N 1.22 0.88 -0.43 3.43 0.00 -1.33 0.26 119.26 123.30 3iac h ALA 207 Ca 0.18 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 3iac h ALA 207 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3iac h ALA 207 CO -0.13 0.63 -0.22 0.00 0.00 0.00 0.00 179.25 179.53 3iac h ALA 208 N 1.09 0.81 -0.01 0.00 0.00 -0.70 -3.23 119.26 117.22 3iac h ALA 208 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3iac h ALA 208 Cb 0.78 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iac h ALA 208 CO 0.06 0.65 -0.76 0.00 0.00 0.00 0.00 179.25 179.20 3iac n ALA 209 N -2.51 4.22 -3.48 0.00 0.00 0.13 -4.98 120.51 113.90 3iac n ALA 209 Ca 0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 53.44 52.64 3iac n ALA 209 Cb 0.44 -0.80 0.08 0.00 0.00 0.00 0.00 19.45 19.18 3iac n ALA 209 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iac n ASP 210 N -0.92 -3.86 -3.88 0.00 8.00 0.85 -4.94 116.55 111.81 3iac n ASP 210 Ca 0.06 -0.58 -0.18 0.00 0.71 0.00 0.00 54.79 54.81 3iac n ASP 210 Cb 0.38 -5.02 -0.16 0.00 -0.02 0.00 0.00 41.12 36.31 3iac n ASP 210 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iac s VAL 211 N -3.34 0.36 -0.37 2.53 1.01 -0.83 -5.05 120.40 114.71 3iac s VAL 211 Ca 0.25 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 3iac s VAL 211 Cb -0.11 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.90 3iac s VAL 211 CO 0.72 0.16 0.94 -0.55 0.00 0.00 0.00 175.10 176.37 3iac s SER 212 N 0.65 6.69 -0.52 3.32 0.15 -1.26 -4.40 113.70 118.32 3iac s SER 212 Ca -0.07 0.60 -0.17 0.00 0.70 0.00 0.00 55.95 57.01 3iac s SER 212 Cb -0.11 -2.47 0.10 0.00 -1.71 0.00 0.00 66.02 61.83 3iac s SER 212 CO -0.01 -0.87 0.53 -0.63 1.20 0.00 0.00 173.24 173.46 3iac s ILE 213 N 3.52 5.09 0.00 6.45 1.01 -1.26 -4.76 121.20 131.24 3iac s ILE 213 Ca 0.39 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3iac s ILE 213 Cb -0.12 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.05 3iac s ILE 213 CO 0.19 -0.82 0.00 0.35 0.00 0.00 0.00 174.94 174.66 3iac n THR 214 N 5.35 0.00 -4.46 2.92 -2.24 -1.26 -5.02 114.28 109.57 3iac n THR 214 Ca -0.11 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 3iac n THR 214 Cb 0.42 0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 3iac n THR 214 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iac s ARG 215 N -1.12 1.70 0.22 -0.78 0.52 -1.26 -4.65 118.95 113.57 3iac s ARG 215 Ca 0.00 -1.74 -0.08 0.00 -0.52 0.00 0.00 55.73 53.39 3iac s ARG 215 Cb 0.00 -1.79 0.19 0.00 0.52 0.00 0.00 34.95 33.87 3iac s ARG 215 CO 0.00 0.34 1.87 0.35 0.02 0.00 0.00 175.30 177.88 3iac h PHE 216 N 2.32 1.13 -0.28 -0.53 3.57 -1.87 -1.68 116.94 119.60 3iac h PHE 216 Ca -0.41 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.12 3iac h PHE 216 Cb 1.26 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 3iac h PHE 216 CO 0.80 0.75 0.19 0.22 -2.23 0.00 0.00 178.31 178.04 3iac h ASP 217 N 1.18 0.24 -0.61 0.41 3.58 -1.96 0.16 116.42 119.41 3iac h ASP 217 Ca 0.31 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.71 3iac h ASP 217 Cb -0.05 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 3iac h ASP 217 CO -0.06 0.17 0.23 0.44 -2.88 0.00 0.00 179.24 177.14 3iac h ASP 218 N 0.28 0.88 -0.61 2.28 3.32 -1.65 -1.59 116.42 119.33 3iac h ASP 218 Ca 0.12 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3iac h ASP 218 Cb 0.12 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3iac h ASP 218 CO -0.02 0.80 0.28 0.25 -1.72 0.00 0.00 179.24 178.83 3iac h LEU 219 N 0.93 0.80 -0.79 1.55 5.85 -0.54 -0.22 115.31 122.90 3iac h LEU 219 Ca 0.21 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3iac h LEU 219 Cb 0.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3iac h LEU 219 CO -0.01 0.72 0.51 0.03 -0.34 0.00 0.00 178.44 179.35 3iac h ARG 220 N 0.83 1.01 -0.01 1.25 3.08 -0.88 0.28 114.38 119.94 3iac h ARG 220 Ca 0.21 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3iac h ARG 220 Cb 0.13 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3iac h ARG 220 CO -0.02 0.67 0.00 1.96 -1.07 0.00 0.00 179.97 181.50 3iac h GLN 221 N 1.04 0.01 -0.40 0.04 4.20 -0.70 -0.99 115.11 118.31 3iac h GLN 221 Ca 0.30 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3iac h GLN 221 Cb -0.08 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3iac h GLN 221 CO -0.08 0.11 0.25 0.00 -0.67 0.00 0.00 178.83 178.44 3iac h ALA 222 N 0.90 0.50 -0.57 3.87 0.00 -0.79 -2.13 119.26 121.04 3iac h ALA 222 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3iac h ALA 222 Cb 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3iac h ALA 222 CO -0.00 -0.02 0.18 -0.07 0.00 0.00 0.00 179.25 179.34 3iac h LEU 223 N 0.53 0.78 -0.51 0.00 3.38 -0.84 -2.05 115.31 116.60 3iac h LEU 223 Ca 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3iac h LEU 223 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3iac h LEU 223 CO -0.03 0.74 0.25 0.74 0.09 0.00 0.00 178.44 180.23 3iac h THR 224 N 0.83 1.20 -0.40 0.22 2.02 -0.84 0.25 112.91 116.19 3iac h THR 224 Ca 0.19 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3iac h THR 224 Cb 0.24 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3iac h THR 224 CO -0.01 0.22 0.27 0.03 0.37 0.00 0.00 175.52 176.40 3iac h ARG 225 N 0.68 0.53 -0.32 6.66 3.08 -0.98 -0.34 114.38 123.69 3iac h ARG 225 Ca 0.18 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.06 3iac h ARG 225 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3iac h ARG 225 CO -0.02 0.35 -0.35 0.00 -1.07 0.00 0.00 179.97 178.88 3iac h ARG 226 N 0.54 0.72 -0.95 0.04 2.47 -1.09 -1.80 114.38 114.32 3iac h ARG 226 Ca 0.15 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.51 3iac h ARG 226 Cb -0.06 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.21 3iac h ARG 226 CO -0.03 0.96 0.57 -0.07 0.56 0.00 0.00 179.97 181.96 3iac h LEU 227 N 0.60 1.14 -0.93 3.04 3.38 -0.25 -1.32 115.31 120.98 3iac h LEU 227 Ca 0.06 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3iac h LEU 227 Cb 0.88 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3iac h LEU 227 CO 0.08 0.88 0.17 0.44 0.09 0.00 0.00 178.44 180.10 3iac h ASP 228 N 1.31 0.89 -0.43 -0.43 3.32 -0.74 -0.14 116.42 120.21 3iac h ASP 228 Ca 0.34 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3iac h ASP 228 Cb -0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3iac h ASP 228 CO -0.06 0.85 0.03 -0.74 -1.72 0.00 0.00 179.24 177.59 3iac h HIS 229 N 0.92 0.79 -0.43 4.55 2.76 -0.54 -1.58 115.15 121.62 3iac h HIS 229 Ca 0.20 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3iac h HIS 229 Cb 0.29 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 3iac h HIS 229 CO 0.02 0.78 0.25 0.74 -1.30 0.00 0.00 177.93 178.42 3iac h PHE 230 N 0.58 0.58 -0.19 5.26 -1.00 -0.97 -2.23 116.94 118.96 3iac h PHE 230 Ca 0.12 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.95 3iac h PHE 230 Cb 0.45 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.77 3iac h PHE 230 CO 0.03 0.42 -0.14 0.00 -1.61 0.00 0.00 178.31 177.01 3iac h ALA 231 N 1.11 -0.00 -0.10 2.45 0.00 -0.88 -1.06 119.26 120.78 3iac h ALA 231 Ca 0.15 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3iac h ALA 231 Cb 0.01 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3iac h ALA 231 CO -0.03 -0.57 0.10 0.00 0.00 0.00 0.00 179.25 178.75 3iac h ALA 232 N 0.98 1.81 -0.55 0.00 0.00 -1.06 -1.28 119.26 119.16 3iac h ALA 232 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iac h ALA 232 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3iac h ALA 232 CO -0.28 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 178.82 3iac n GLY 234 N 1.02 0.70 3.74 0.00 0.00 -0.48 -4.50 105.19 105.66 3iac n GLY 234 Ca 0.22 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3iac n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iac n ARG 236 N 2.43 0.34 -3.65 0.00 1.85 -1.26 -4.68 116.66 111.69 3iac n ARG 236 Ca 0.06 -0.54 -0.12 0.00 -1.00 0.00 0.00 57.85 56.26 3iac n ARG 236 Cb 0.42 -0.72 -0.06 0.00 -1.05 0.00 0.00 32.46 31.05 3iac n ARG 236 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iac s ALA 237 N -0.19 -0.96 0.20 2.89 0.00 -1.26 -1.35 121.76 121.09 3iac s ALA 237 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.15 3iac s ALA 237 Cb 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 3iac s ALA 237 CO 0.00 -0.54 -0.10 -1.54 0.00 0.00 0.00 175.76 173.58 3iac s SER 238 N -2.37 2.32 0.01 0.00 1.04 0.24 -1.52 113.70 113.43 3iac s SER 238 Ca -0.01 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.32 3iac s SER 238 Cb 0.00 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 3iac s SER 238 CO -0.07 -0.28 0.03 -0.62 0.98 0.00 0.00 173.24 173.29 3iac s ASP 239 N -3.30 0.14 -0.14 7.02 2.15 0.74 -1.07 116.67 122.21 3iac s ASP 239 Ca 0.23 -0.33 -0.04 0.00 0.43 0.00 0.00 52.55 52.84 3iac s ASP 239 Cb 0.01 0.13 0.07 0.00 -0.30 0.00 0.00 42.92 42.84 3iac s ASP 239 CO 0.06 -0.29 0.19 -1.00 -0.17 0.00 0.00 175.17 173.97 3iac s HIS 240 N -1.25 -0.22 -0.48 -5.34 3.76 -0.33 -3.89 115.29 107.54 3iac s HIS 240 Ca -0.14 0.47 -0.22 0.00 -0.15 0.00 0.00 55.06 55.02 3iac s HIS 240 Cb -0.08 -0.29 0.03 0.00 1.11 0.00 0.00 32.58 33.35 3iac s HIS 240 CO -0.00 -0.41 0.78 0.20 -0.85 0.00 0.00 174.74 174.45 3iac s GLY 241 N 2.31 1.60 -0.33 -2.22 0.00 -1.26 -0.32 107.32 107.09 3iac s GLY 241 Ca 0.04 -1.20 -0.02 0.00 0.00 0.00 0.00 44.72 43.55 3iac s GLY 241 CO -0.08 1.76 0.06 -0.42 0.00 0.00 0.00 173.10 174.41 3iac s ILE 242 N 3.27 3.01 0.01 0.90 1.01 0.27 -4.92 121.20 124.74 3iac s ILE 242 Ca 0.27 -1.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.24 3iac s ILE 242 Cb -0.14 -2.86 -0.28 0.00 0.01 0.00 0.00 42.46 39.20 3iac s ILE 242 CO 0.20 -0.30 0.89 -0.33 0.00 0.00 0.00 174.94 175.39 3iac h GLU 243 N 7.98 0.25 -3.69 2.79 3.07 -1.84 -1.22 114.58 121.91 3iac h GLU 243 Ca -0.17 -0.42 -0.62 0.00 -0.50 0.00 0.00 59.36 57.65 3iac h GLU 243 Cb 1.05 0.16 -0.40 0.00 -0.84 0.00 0.00 28.75 28.72 3iac h GLU 243 CO 0.58 1.11 -0.72 0.99 -1.40 0.00 0.00 179.01 179.57 3iac s THR 244 N -2.62 1.67 -0.24 1.13 2.01 -1.26 -4.57 115.64 111.75 3iac s THR 244 Ca -0.08 -2.26 -0.29 0.00 0.31 0.00 0.00 61.69 59.36 3iac s THR 244 Cb 0.07 -2.21 -0.00 0.00 0.01 0.00 0.00 72.50 70.37 3iac s THR 244 CO 0.86 -0.73 1.24 -0.22 -0.69 0.00 0.00 174.62 175.07 3iac s LEU 245 N 0.79 4.02 0.41 4.42 2.96 -1.26 -5.00 118.68 125.02 3iac s LEU 245 Ca 0.13 1.39 0.06 0.00 -0.22 0.00 0.00 54.13 55.50 3iac s LEU 245 Cb -0.21 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.86 3iac s LEU 245 CO -0.10 -0.89 0.01 -0.13 -1.32 0.00 0.00 176.35 173.92 3iac s ARG 246 N 3.76 1.94 -0.28 1.98 0.52 -1.26 -4.91 118.95 120.69 3iac s ARG 246 Ca 0.53 -2.10 -0.20 0.00 -0.52 0.00 0.00 55.73 53.44 3iac s ARG 246 Cb -0.18 -1.56 0.08 0.00 0.52 0.00 0.00 34.95 33.82 3iac s ARG 246 CO 0.17 -0.08 0.74 0.12 0.02 0.00 0.00 175.30 176.28 3iac s PHE 247 N -2.77 -0.88 -0.15 -0.53 5.36 -1.26 -4.87 117.98 112.87 3iac s PHE 247 Ca 0.34 1.92 -0.12 0.00 -0.96 0.00 0.00 56.93 58.12 3iac s PHE 247 Cb 0.10 0.45 0.04 0.00 -0.34 0.00 0.00 43.02 43.27 3iac s PHE 247 CO 0.17 -0.43 0.39 0.00 -1.46 0.00 0.00 175.22 173.89 3iac s ALA 248 N 0.99 -0.97 0.40 11.12 0.00 -1.26 -4.94 121.76 127.11 3iac s ALA 248 Ca -0.05 1.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.89 3iac s ALA 248 Cb -0.05 -0.73 -0.11 0.00 0.00 0.00 0.00 23.12 22.23 3iac s ALA 248 CO -0.10 -0.21 1.13 -2.30 0.00 0.00 0.00 175.76 174.28 3iac n PRO 249 N 3.38 1.62 -1.97 0.00 -0.02 -1.26 -4.66 135.00 132.09 3iac n PRO 249 Ca -0.17 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 3iac n PRO 249 Cb 0.56 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3iac n PRO 249 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3iac s VAL 250 N -1.21 3.51 0.90 -1.45 1.01 -1.26 -4.85 120.40 117.05 3iac s VAL 250 Ca 0.61 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 63.09 3iac s VAL 250 Cb -0.55 -3.42 0.19 0.00 0.00 0.00 0.00 36.38 32.60 3iac s VAL 250 CO 0.58 -0.08 1.23 -2.16 0.00 0.00 0.00 175.10 174.67 3iac s PRO 251 N 4.23 0.85 0.92 2.72 0.04 -1.26 -5.06 135.00 137.44 3iac s PRO 251 Ca 0.76 -0.71 -0.12 0.00 0.04 0.00 0.00 61.00 60.97 3iac s PRO 251 Cb -0.33 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.35 3iac s PRO 251 CO 0.31 -2.18 1.10 0.16 0.04 0.00 0.00 177.00 176.43 3iac s ASP 252 N -4.88 3.33 0.45 6.66 1.47 -1.26 -4.80 116.67 117.63 3iac s ASP 252 Ca 0.73 1.28 0.10 0.00 1.18 0.00 0.00 52.55 55.84 3iac s ASP 252 Cb -0.03 -1.95 1.00 0.00 -0.34 0.00 0.00 42.92 41.59 3iac s ASP 252 CO 0.51 -2.70 2.08 0.44 0.68 0.00 0.00 175.17 176.18 3iac h ASP 253 N -1.60 0.32 -0.84 2.11 5.19 -1.98 -2.23 116.42 117.39 3iac h ASP 253 Ca -0.51 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 55.92 3iac h ASP 253 Cb 1.30 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.69 3iac h ASP 253 CO 0.57 0.23 0.55 0.00 -3.12 0.00 0.00 179.24 177.47 3iac h ALA 254 N 1.82 1.09 -0.36 3.45 0.00 -1.98 0.56 119.26 123.84 3iac h ALA 254 Ca 0.11 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3iac h ALA 254 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3iac h ALA 254 CO -0.02 0.41 -0.27 0.37 0.00 0.00 0.00 179.25 179.73 3iac h GLN 255 N 1.08 0.82 -0.56 0.00 5.75 -1.78 -0.66 115.11 119.76 3iac h GLN 255 Ca 0.33 -0.40 -0.06 0.00 -0.15 0.00 0.00 58.65 58.37 3iac h GLN 255 Cb -0.04 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3iac h GLN 255 CO -0.10 1.03 0.12 -0.07 -2.65 0.00 0.00 178.83 177.16 3iac h LEU 256 N 0.61 0.87 -0.27 -2.39 3.38 -0.94 -0.56 115.31 116.02 3iac h LEU 256 Ca 0.07 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3iac h LEU 256 Cb 0.84 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3iac h LEU 256 CO 0.07 0.89 0.14 0.44 0.09 0.00 0.00 178.44 180.07 3iac h ASP 257 N 0.82 0.21 -0.93 -0.43 3.32 0.19 -0.97 116.42 118.63 3iac h ASP 257 Ca 0.18 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.28 3iac h ASP 257 Cb 0.37 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 3iac h ASP 257 CO 0.01 0.16 0.60 0.00 -1.72 0.00 0.00 179.24 178.29 3iac h ALA 258 N 1.13 1.26 -0.05 3.45 0.00 -0.69 0.13 119.26 124.48 3iac h ALA 258 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3iac h ALA 258 Cb 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3iac h ALA 258 CO -0.07 0.44 0.01 0.82 0.00 0.00 0.00 179.25 180.45 3iac h ILE 259 N 1.14 1.20 -0.72 0.00 2.04 -0.70 -1.33 117.51 119.14 3iac h ILE 259 Ca 0.38 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.67 3iac h ILE 259 Cb 0.06 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3iac h ILE 259 CO -0.14 0.16 0.46 0.25 0.00 0.00 0.00 178.15 178.89 3iac h LEU 260 N -0.14 0.78 -0.36 1.44 5.85 -0.85 -1.70 115.31 120.32 3iac h LEU 260 Ca 0.02 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3iac h LEU 260 Cb 0.25 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3iac h LEU 260 CO 0.00 0.54 0.07 1.23 -0.34 0.00 0.00 178.44 179.94 3iac h GLY 261 N 0.92 0.42 0.98 3.75 0.00 -0.48 -0.28 103.07 108.38 3iac h GLY 261 Ca 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 3iac h GLY 261 CO -0.09 -0.03 0.16 0.50 0.00 0.00 0.00 176.54 177.08 3iac h LYS 262 N 0.19 0.34 -0.61 4.80 1.57 -0.88 -1.36 116.57 120.62 3iac h LYS 262 Ca 0.17 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3iac h LYS 262 Cb 0.20 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3iac h LYS 262 CO -0.23 0.26 0.38 -0.09 -0.57 0.00 0.00 179.45 179.20 3iac h ARG 263 N 0.33 0.74 0.00 3.15 9.65 -0.88 -1.26 114.38 126.11 3iac h ARG 263 Ca 0.09 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.87 3iac h ARG 263 Cb 0.00 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.41 3iac h ARG 263 CO -0.02 0.49 -0.29 -0.07 2.80 0.00 0.00 179.97 182.88 3iac h LEU 264 N 0.76 0.00 0.00 3.80 4.07 -0.83 -2.28 115.31 120.83 3iac h LEU 264 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 3iac h LEU 264 Cb -0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3iac h LEU 264 CO -0.09 0.29 -0.10 0.00 -1.08 0.00 0.00 178.44 177.46 3iac n ALA 265 N -2.45 2.40 -0.23 1.53 0.00 -0.53 -4.93 120.51 116.29 3iac n ALA 265 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3iac n ALA 265 Cb 0.34 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3iac n ALA 265 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iac n GLY 266 N 1.34 0.83 3.78 0.00 0.00 -0.59 -5.08 105.19 105.47 3iac n GLY 266 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3iac n GLY 266 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iac s GLU 267 N -0.77 4.54 0.19 1.61 2.02 -0.58 -5.00 118.70 120.71 3iac s GLU 267 Ca 0.00 1.42 -0.30 0.00 0.02 0.00 0.00 54.97 56.11 3iac s GLU 267 Cb 0.00 -2.83 -0.09 0.00 0.10 0.00 0.00 34.13 31.31 3iac s GLU 267 CO 0.00 0.22 1.31 0.99 0.02 0.00 0.00 175.26 177.80 3iac s THR 268 N -1.55 3.22 0.08 3.63 2.01 -1.26 -4.37 115.64 117.40 3iac s THR 268 Ca 0.50 1.00 -0.07 0.00 0.31 0.00 0.00 61.69 63.44 3iac s THR 268 Cb -0.21 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 3iac s THR 268 CO 0.27 0.15 0.34 -0.76 -0.69 0.00 0.00 174.62 173.92 3iac s LEU 269 N -0.06 4.33 0.76 4.42 1.43 -1.26 -5.03 118.68 123.27 3iac s LEU 269 Ca 0.57 0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 3iac s LEU 269 Cb -0.36 -3.00 0.06 0.00 0.03 0.00 0.00 46.19 42.92 3iac s LEU 269 CO 0.38 0.16 1.13 -0.94 0.23 0.00 0.00 176.35 177.30 3iac s SER 270 N -2.01 4.83 0.20 2.29 1.04 -1.26 -4.88 113.70 113.91 3iac s SER 270 Ca 0.34 0.83 -0.11 0.00 0.48 0.00 0.00 55.95 57.49 3iac s SER 270 Cb -0.13 -1.44 0.14 0.00 0.10 0.00 0.00 66.02 64.69 3iac s SER 270 CO 0.20 -1.69 1.87 -0.33 0.98 0.00 0.00 173.24 174.27 3iac h GLU 271 N -0.86 0.91 -0.31 4.02 4.39 -1.99 -1.77 114.58 118.96 3iac h GLU 271 Ca -0.45 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.24 3iac h GLU 271 Cb 1.30 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.71 3iac h GLU 271 CO 0.65 0.60 0.05 1.25 -1.16 0.00 0.00 179.01 180.39 3iac h LEU 272 N 0.93 -0.02 -0.69 1.33 5.85 -1.98 0.20 115.31 120.92 3iac h LEU 272 Ca 0.26 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 3iac h LEU 272 Cb -0.09 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3iac h LEU 272 CO -0.06 0.02 0.35 -0.33 -0.34 0.00 0.00 178.44 178.08 3iac h GLU 273 N 0.15 0.98 -0.15 1.25 5.08 -1.86 0.12 114.58 120.15 3iac h GLU 273 Ca 0.15 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3iac h GLU 273 Cb 0.17 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3iac h GLU 273 CO -0.21 0.76 0.06 0.82 -1.00 0.00 0.00 179.01 179.45 3iac h ILE 274 N 0.96 1.15 -0.75 3.13 2.04 -0.90 -0.95 117.51 122.19 3iac h ILE 274 Ca 0.24 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3iac h ILE 274 Cb 0.09 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3iac h ILE 274 CO -0.03 0.14 0.49 0.00 0.00 0.00 0.00 178.15 178.74 3iac h ALA 275 N 0.91 0.97 -0.10 1.87 0.00 -0.28 -0.70 119.26 121.93 3iac h ALA 275 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iac h ALA 275 Cb 0.16 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3iac h ALA 275 CO -0.00 0.32 0.06 1.96 0.00 0.00 0.00 179.25 181.58 3iac h GLN 276 N 0.97 0.14 0.22 0.00 4.20 -0.53 -0.12 115.11 119.99 3iac h GLN 276 Ca 0.29 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3iac h GLN 276 Cb -0.05 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3iac h GLN 276 CO -0.09 0.17 -0.11 0.35 -0.67 0.00 0.00 178.83 178.49 3iac h PHE 277 N 0.08 -0.27 -0.46 2.96 3.04 -0.97 -1.07 116.94 120.26 3iac h PHE 277 Ca 0.04 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.04 3iac h PHE 277 Cb 0.06 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 3iac h PHE 277 CO -0.05 -0.03 0.15 1.15 -2.02 0.00 0.00 178.31 177.51 3iac h THR 278 N -0.48 0.84 -0.57 4.41 2.02 -1.11 -1.59 112.91 116.42 3iac h THR 278 Ca -0.03 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 3iac h THR 278 Cb 0.36 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3iac h THR 278 CO 0.05 0.06 0.11 0.74 0.37 0.00 0.00 175.52 176.85 3iac h THR 279 N 0.32 1.24 -0.51 3.16 2.02 -0.98 -1.42 112.91 116.73 3iac h THR 279 Ca 0.22 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3iac h THR 279 Cb 0.23 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3iac h THR 279 CO -0.23 0.33 0.33 0.00 0.37 0.00 0.00 175.52 176.32 3iac h ALA 280 N 1.26 0.65 -0.10 6.16 0.00 -0.32 -1.00 119.26 125.92 3iac h ALA 280 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3iac h ALA 280 Cb 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iac h ALA 280 CO 0.00 0.11 -0.07 0.28 0.00 0.00 0.00 179.25 179.58 3iac h VAL 281 N 0.69 1.34 -0.67 0.00 2.07 -1.09 -1.86 116.25 116.72 3iac h VAL 281 Ca 0.19 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 3iac h VAL 281 Cb -0.05 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3iac h VAL 281 CO -0.04 0.32 0.29 -0.07 0.02 0.00 0.00 177.57 178.10 3iac h LEU 282 N -0.16 0.89 -0.24 2.57 3.38 -1.19 0.11 115.31 120.67 3iac h LEU 282 Ca 0.02 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3iac h LEU 282 Cb 0.54 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3iac h LEU 282 CO 0.02 0.78 -0.27 0.58 0.09 0.00 0.00 178.44 179.64 3iac h VAL 283 N 0.97 1.32 -0.41 1.22 2.07 -1.18 0.12 116.25 120.35 3iac h VAL 283 Ca 0.23 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3iac h VAL 283 Cb 0.15 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3iac h VAL 283 CO -0.02 0.45 0.21 -0.25 0.02 0.00 0.00 177.57 177.98 3iac h TRP 284 N 0.31 0.58 -0.56 1.57 7.01 -1.09 -1.72 115.95 122.06 3iac h TRP 284 Ca 0.03 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.01 3iac h TRP 284 Cb 0.83 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.68 3iac h TRP 284 CO 0.08 0.46 0.35 -0.07 -2.79 0.00 0.00 178.44 176.47 3iac h LEU 285 N 0.53 0.65 -0.85 0.65 3.38 -0.72 -2.34 115.31 116.61 3iac h LEU 285 Ca 0.14 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3iac h LEU 285 Cb 0.09 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 3iac h LEU 285 CO -0.02 0.50 0.51 1.23 0.09 0.00 0.00 178.44 180.74 3iac h GLY 286 N 0.75 1.32 1.11 0.83 0.00 -0.58 -0.42 103.07 106.08 3iac h GLY 286 Ca 0.20 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3iac h GLY 286 CO -0.04 0.17 0.20 3.21 0.00 0.00 0.00 176.54 180.08 3iac h ARG 287 N 0.87 1.11 -0.44 4.80 3.08 -0.98 -1.25 114.38 121.56 3iac h ARG 287 Ca 0.40 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 3iac h ARG 287 Cb 0.32 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3iac h ARG 287 CO -0.23 0.96 0.05 1.96 -1.07 0.00 0.00 179.97 181.64 3iac h GLN 288 N 1.06 0.74 -0.71 0.04 1.08 -0.69 -0.67 115.11 115.96 3iac h GLN 288 Ca 0.23 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3iac h GLN 288 Cb 0.33 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 3iac h GLN 288 CO -0.00 0.78 0.46 1.88 -0.95 0.00 0.00 178.83 180.99 3iac h TYR 289 N 0.59 0.91 0.09 2.96 0.05 -0.89 0.12 116.97 120.80 3iac h TYR 289 Ca 0.13 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 3iac h TYR 289 Cb 0.41 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3iac h TYR 289 CO 0.03 0.58 -0.04 0.00 -1.05 0.00 0.00 178.16 177.68 3iac h ALA 290 N 1.25 -0.12 -0.41 3.88 0.00 -0.98 -0.32 119.26 122.56 3iac h ALA 290 Ca 0.26 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3iac h ALA 290 Cb -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3iac h ALA 290 CO -0.05 -0.56 0.27 0.00 0.00 0.00 0.00 179.25 178.91 3iac h ALA 291 N 0.77 1.84 -0.01 0.00 0.00 -0.68 -2.20 119.26 118.99 3iac h ALA 291 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iac h ALA 291 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iac h ALA 291 CO 0.02 0.11 -0.26 0.54 0.00 0.00 0.00 179.25 179.65 3iac n ARG 292 N -4.48 0.95 -1.27 0.00 1.74 -0.01 -4.95 116.66 108.64 3iac n ARG 292 Ca 0.04 -0.59 -0.07 0.00 -0.77 0.00 0.00 57.85 56.46 3iac n ARG 292 Cb 0.15 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 3iac n ARG 292 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iac n GLY 293 N 1.34 0.83 3.88 -0.13 0.00 -0.26 -4.93 105.19 105.92 3iac n GLY 293 Ca 0.12 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 3iac n GLY 293 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3iac s TRP 294 N -2.26 3.55 0.00 1.61 0.52 -0.44 -4.57 118.94 117.36 3iac s TRP 294 Ca 0.00 1.05 0.00 0.00 0.02 0.00 0.00 56.10 57.17 3iac s TRP 294 Cb 0.00 -2.49 0.00 0.00 -1.15 0.00 0.00 33.47 29.83 3iac s TRP 294 CO 0.00 -0.37 0.00 0.28 0.02 0.00 0.00 176.95 176.88 3iac n VAL 295 N -2.13 0.00 -3.65 4.03 0.31 -0.46 -4.05 118.33 112.38 3iac n VAL 295 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.35 3iac n VAL 295 Cb 0.54 -1.35 -0.06 0.00 -0.91 0.00 0.00 33.84 32.06 3iac n VAL 295 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3iac s GLN 297 N 1.65 0.25 -0.28 5.55 -0.21 -0.23 -0.59 119.66 125.81 3iac s GLN 297 Ca 0.00 0.41 0.01 0.00 0.02 0.00 0.00 55.36 55.81 3iac s GLN 297 Cb 0.00 0.06 0.06 0.00 1.00 0.00 0.00 33.01 34.13 3iac s GLN 297 CO 0.00 -0.05 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.55 3iac s LEU 298 N 1.09 3.67 -0.49 2.90 1.43 -0.40 -1.19 118.68 125.68 3iac s LEU 298 Ca -0.07 -1.39 -0.15 0.00 -1.03 0.00 0.00 54.13 51.48 3iac s LEU 298 Cb -0.03 -1.61 0.09 0.00 0.03 0.00 0.00 46.19 44.67 3iac s LEU 298 CO -0.13 -0.22 0.42 -1.00 0.23 0.00 0.00 176.35 175.65 3iac s HIS 299 N 1.14 3.25 -0.08 0.29 3.76 0.56 -1.30 115.29 122.91 3iac s HIS 299 Ca -0.07 -1.08 0.01 0.00 -0.15 0.00 0.00 55.06 53.77 3iac s HIS 299 Cb -0.20 -3.36 -0.03 0.00 1.11 0.00 0.00 32.58 30.10 3iac s HIS 299 CO -0.04 -0.87 -0.09 0.42 -0.85 0.00 0.00 174.74 173.31 3iac s ILE 300 N 1.61 3.48 0.00 0.60 1.01 -0.53 -0.57 121.20 126.81 3iac s ILE 300 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3iac s ILE 300 Cb -0.26 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3iac s ILE 300 CO 0.05 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.17 3iac n GLY 301 N 2.62 1.02 3.82 6.18 0.00 -0.46 -0.81 105.19 117.56 3iac n GLY 301 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3iac n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iac s ALA 302 N -2.00 2.89 -0.18 4.61 0.00 -1.26 -0.26 121.76 125.56 3iac s ALA 302 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3iac s ALA 302 Cb 0.00 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.98 3iac s ALA 302 CO 0.00 -0.62 -0.15 -1.50 0.00 0.00 0.00 175.76 173.49 3iac s ILE 303 N -2.63 1.78 0.26 0.00 2.07 -0.50 -4.53 121.20 117.65 3iac s ILE 303 Ca 0.61 -0.89 0.09 0.00 -1.41 0.00 0.00 60.65 59.05 3iac s ILE 303 Cb -0.13 -1.71 -0.04 0.00 0.13 0.00 0.00 42.46 40.71 3iac s ILE 303 CO 0.38 0.38 0.03 -0.13 -1.91 0.00 0.00 174.94 173.69 3iac s ARG 304 N 1.38 2.42 -1.32 3.50 0.52 -1.26 -1.12 118.95 123.07 3iac s ARG 304 Ca 0.02 -1.35 -0.04 0.00 -0.52 0.00 0.00 55.73 53.84 3iac s ARG 304 Cb -0.14 -2.24 -0.00 0.00 0.52 0.00 0.00 34.95 33.09 3iac s ARG 304 CO -0.10 0.37 0.57 0.09 0.02 0.00 0.00 175.30 176.25 3iac n ASN 305 N -0.95 -1.60 0.23 0.23 3.02 -1.22 -4.88 115.26 110.09 3iac n ASN 305 Ca -0.07 -0.96 0.11 0.00 -0.03 0.00 0.00 54.58 53.64 3iac n ASN 305 Cb 0.59 -3.41 0.51 0.00 -0.61 0.00 0.00 39.78 36.85 3iac n ASN 305 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3iac h ASN 306 N -1.85 0.00 -3.42 6.41 2.35 -1.66 -3.40 115.58 114.00 3iac h ASN 306 Ca -0.63 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 54.40 3iac h ASN 306 Cb 1.37 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.44 3iac h ASN 306 CO 0.58 0.19 -0.47 0.21 -1.65 0.00 0.00 177.43 176.29 3iac s ASN 307 N -6.13 5.55 0.09 5.81 3.84 -1.26 -4.98 114.94 117.86 3iac s ASN 307 Ca 0.00 -1.72 -0.18 0.00 0.21 0.00 0.00 52.86 51.17 3iac s ASN 307 Cb 0.10 -1.95 -0.07 0.00 -0.55 0.00 0.00 41.25 38.78 3iac s ASN 307 CO 0.62 -0.57 1.55 0.74 -2.79 0.00 0.00 177.10 176.65 3iac h THR 308 N 6.17 1.24 0.00 -5.21 2.02 -1.99 0.68 112.91 115.82 3iac h THR 308 Ca -0.20 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.15 3iac h THR 308 Cb 1.07 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3iac h THR 308 CO 0.77 0.26 0.00 -1.14 0.37 0.00 0.00 175.52 175.78 3iac n ARG 309 N -4.66 0.00 0.00 6.66 0.63 -1.26 -1.28 116.66 116.76 3iac n ARG 309 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 3iac n ARG 309 Cb 0.22 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 32.19 3iac n ARG 309 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3iac n PHE 311 N 0.03 0.00 0.24 -0.14 -0.00 0.23 -3.15 117.46 114.67 3iac n PHE 311 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.52 3iac n PHE 311 Cb 0.00 0.00 0.60 0.00 -0.00 0.00 0.00 39.48 40.08 3iac n PHE 311 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3iac h ARG 312 N 0.00 0.01 0.03 -4.13 3.08 -1.45 0.29 114.38 112.22 3iac h ARG 312 Ca 0.00 -0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 3iac h ARG 312 Cb 0.00 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3iac h ARG 312 CO 0.00 0.06 -1.98 1.28 -1.07 0.00 0.00 179.97 178.26 3iac n LEU 313 N -4.48 1.36 -0.00 3.04 4.77 -1.19 -4.70 117.00 115.80 3iac n LEU 313 Ca -0.03 0.24 0.01 0.00 -0.03 0.00 0.00 56.01 56.20 3iac n LEU 313 Cb 0.13 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3iac n LEU 313 CO 0.35 0.58 -0.28 0.18 -1.33 0.00 0.00 177.39 176.88 3iac n LEU 314 N -3.12 0.03 0.00 2.23 4.77 -1.14 -5.13 117.00 114.63 3iac n LEU 314 Ca -0.26 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 3iac n LEU 314 Cb 1.07 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.15 3iac n LEU 314 CO 0.42 0.01 -0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3iac n GLY 315 N 1.78 -2.05 3.78 -0.72 0.00 0.10 -4.90 105.19 103.19 3iac n GLY 315 Ca -0.00 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 3iac n GLY 315 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iac s PRO 316 N -0.01 1.84 -1.37 1.61 0.04 -1.26 -4.28 135.00 131.56 3iac s PRO 316 Ca 0.00 0.68 -0.02 0.00 0.04 0.00 0.00 61.00 61.69 3iac s PRO 316 Cb 0.00 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.67 3iac s PRO 316 CO 0.00 -1.80 0.67 -0.25 0.04 0.00 0.00 177.00 175.66 3iac n ASP 317 N -3.56 -1.50 -0.08 6.66 10.43 -1.26 -4.90 116.55 122.33 3iac n ASP 317 Ca 0.07 -0.86 0.04 0.00 2.57 0.00 0.00 54.79 56.60 3iac n ASP 317 Cb 0.56 -3.76 0.05 0.00 1.84 0.00 0.00 41.12 39.82 3iac n ASP 317 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3iac n THR 318 N -4.36 1.11 0.00 -3.53 -2.24 -1.26 -4.98 114.28 99.02 3iac n THR 318 Ca -0.25 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 3iac n THR 318 Cb 0.65 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3iac n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iac n GLY 319 N -0.74 1.10 0.70 3.38 0.00 -1.26 -4.91 105.19 103.46 3iac n GLY 319 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 3iac n GLY 319 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iac n PHE 320 N -1.77 0.42 -4.18 1.61 3.72 -1.26 -4.86 117.46 111.14 3iac n PHE 320 Ca 0.00 -1.39 -0.28 0.00 -0.05 0.00 0.00 57.45 55.73 3iac n PHE 320 Cb 0.00 -0.31 -0.08 0.00 -0.94 0.00 0.00 39.48 38.15 3iac n PHE 320 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3iac s ASP 321 N -2.85 4.84 0.00 4.37 -0.00 -1.26 -1.87 116.67 119.90 3iac s ASP 321 Ca 0.39 -0.31 0.00 0.00 -0.00 0.00 0.00 52.55 52.63 3iac s ASP 321 Cb 0.36 -1.07 0.00 0.00 -0.00 0.00 0.00 42.92 42.21 3iac s ASP 321 CO -0.02 0.13 0.00 -1.54 -0.00 0.00 0.00 175.17 173.74 3iac n SER 322 N 0.21 0.00 -4.69 0.27 3.41 -0.27 -5.01 113.62 107.55 3iac n SER 322 Ca -0.10 -0.40 -0.39 0.00 -0.26 0.00 0.00 58.87 57.72 3iac n SER 322 Cb 0.54 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 3iac n SER 322 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3iac s ILE 323 N -2.21 5.10 0.71 -1.33 1.01 -1.26 -1.41 121.20 121.81 3iac s ILE 323 Ca 0.00 1.07 -0.04 0.00 0.00 0.00 0.00 60.65 61.68 3iac s ILE 323 Cb 0.00 -3.88 0.09 0.00 0.01 0.00 0.00 42.46 38.68 3iac s ILE 323 CO 0.00 0.22 0.99 -0.83 0.00 0.00 0.00 174.94 175.32 3iac s GLY 324 N 0.95 1.75 -0.15 6.18 0.00 0.64 -4.73 107.32 111.97 3iac s GLY 324 Ca 0.28 -1.28 0.18 0.00 0.00 0.00 0.00 44.72 43.90 3iac s GLY 324 CO 0.11 -0.81 1.19 2.09 0.00 0.00 0.00 173.10 175.69 3iac n ASP 325 N -2.87 0.34 -4.74 1.64 5.75 -1.26 -4.63 116.55 110.77 3iac n ASP 325 Ca 0.11 -2.05 -0.31 0.00 -0.01 0.00 0.00 54.79 52.53 3iac n ASP 325 Cb 0.60 -0.06 0.11 0.00 -1.03 0.00 0.00 41.12 40.75 3iac n ASP 325 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3iac s ASN 326 N -2.23 4.03 0.25 -1.12 0.01 -1.26 -5.01 114.94 109.61 3iac s ASN 326 Ca 0.21 1.82 -0.29 0.00 -0.71 0.00 0.00 52.86 53.89 3iac s ASN 326 Cb 0.31 -2.47 -0.09 0.00 0.41 0.00 0.00 41.25 39.41 3iac s ASN 326 CO -0.09 -2.34 0.92 0.20 -1.51 0.00 0.00 177.10 174.29 3iac s ASN 327 N -3.27 7.57 0.00 -1.22 -0.87 -1.26 -4.97 114.94 110.92 3iac s ASN 327 Ca 0.62 1.90 0.00 0.00 -1.57 0.00 0.00 52.86 53.81 3iac s ASN 327 Cb -0.18 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.45 3iac s ASN 327 CO 0.57 0.12 0.00 2.30 -2.57 0.00 0.00 177.10 177.52 3iac n ILE 328 N 1.33 0.00 -0.17 0.60 -5.35 -1.26 -4.91 119.36 109.60 3iac n ILE 328 Ca -0.02 -0.03 -0.03 0.00 -0.27 0.00 0.00 62.75 62.40 3iac n ILE 328 Cb 0.48 0.34 0.06 0.00 -1.74 0.00 0.00 39.64 38.78 3iac n ILE 328 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3iac h SER 329 N 0.00 0.31 0.23 7.28 4.64 -1.98 -0.50 113.55 123.53 3iac h SER 329 Ca 0.00 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3iac h SER 329 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3iac h SER 329 CO 0.00 0.21 -0.11 -0.25 -0.87 0.00 0.00 176.83 175.81 3iac h TRP 330 N 0.46 -0.29 -0.61 4.77 7.01 -1.99 -0.35 115.95 124.95 3iac h TRP 330 Ca 0.24 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.18 3iac h TRP 330 Cb 0.20 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 3iac h TRP 330 CO -0.12 -0.14 0.16 0.00 -2.79 0.00 0.00 178.44 175.54 3iac h ALA 331 N 0.41 0.80 -0.23 2.65 0.00 -1.88 -1.15 119.26 119.85 3iac h ALA 331 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3iac h ALA 331 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3iac h ALA 331 CO 0.05 0.50 0.15 1.25 0.00 0.00 0.00 179.25 181.20 3iac h LEU 332 N 0.88 0.27 -0.11 0.00 5.85 -1.02 -0.03 115.31 121.15 3iac h LEU 332 Ca 0.19 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3iac h LEU 332 Cb 0.34 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3iac h LEU 332 CO 0.00 0.22 0.05 -1.28 -0.34 0.00 0.00 178.44 177.09 3iac h SER 333 N 0.30 0.08 -0.41 1.25 0.87 -0.80 -1.01 113.55 113.83 3iac h SER 333 Ca 0.08 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3iac h SER 333 Cb -0.01 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3iac h SER 333 CO -0.02 0.06 0.04 0.03 -0.53 0.00 0.00 176.83 176.41 3iac h ARG 334 N 0.12 0.78 0.11 2.24 2.47 -1.04 -0.27 114.38 118.79 3iac h ARG 334 Ca 0.04 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 3iac h ARG 334 Cb 0.01 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 3iac h ARG 334 CO -0.03 0.76 -0.05 1.25 0.56 0.00 0.00 179.97 182.46 3iac h LEU 335 N 0.73 -0.13 -0.33 3.04 5.85 -0.75 -0.32 115.31 123.41 3iac h LEU 335 Ca 0.15 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3iac h LEU 335 Cb 0.39 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3iac h LEU 335 CO 0.01 0.13 0.15 -0.07 -0.34 0.00 0.00 178.44 178.33 3iac h LEU 336 N -0.39 0.45 -1.59 2.25 3.38 -1.12 -2.79 115.31 115.50 3iac h LEU 336 Ca -0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3iac h LEU 336 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3iac h LEU 336 CO 0.03 0.47 0.12 -0.78 0.09 0.00 0.00 178.44 178.36 3iac h ASP 337 N 0.40 0.35 0.00 -0.43 3.58 -0.99 -1.58 116.42 117.74 3iac h ASP 337 Ca 0.11 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3iac h ASP 337 Cb 0.15 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.11 3iac h ASP 337 CO -0.01 0.31 0.00 -1.20 -2.88 0.00 0.00 179.24 175.46 3iac n SER 338 N -4.43 0.04 0.00 2.28 7.64 -0.14 -1.00 113.62 118.02 3iac n SER 338 Ca 0.01 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.80 3iac n SER 338 Cb 0.12 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 3iac n SER 338 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3iac n ASP 340 N 0.44 0.00 0.07 6.43 2.03 -0.59 -4.62 116.55 120.31 3iac n ASP 340 Ca 0.00 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 3iac n ASP 340 Cb 0.01 0.00 0.62 0.00 -0.72 0.00 0.00 41.12 41.03 3iac n ASP 340 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3iac h VAL 341 N 0.00 0.88 -0.52 5.18 3.04 -1.34 0.19 116.25 123.67 3iac h VAL 341 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 3iac h VAL 341 Cb 0.00 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 3iac h VAL 341 CO 0.00 0.02 0.00 0.35 -1.01 0.00 0.00 177.57 176.93 3iac n THR 342 N -4.46 1.92 -3.56 3.17 -2.24 -1.26 -4.94 114.28 102.92 3iac n THR 342 Ca 0.05 -1.33 -0.23 0.00 -2.27 0.00 0.00 64.05 60.27 3iac n THR 342 Cb 0.35 0.06 0.08 0.00 -2.10 0.00 0.00 70.33 68.72 3iac n THR 342 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3iac n ASN 343 N 0.67 -5.75 -0.82 3.42 5.15 0.65 -4.93 115.26 113.65 3iac n ASN 343 Ca 0.23 -0.54 0.02 0.00 -0.60 0.00 0.00 54.58 53.69 3iac n ASN 343 Cb 0.87 -4.98 0.18 0.00 -0.53 0.00 0.00 39.78 35.31 3iac n ASN 343 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3iac n GLU 344 N -4.83 1.76 -3.15 1.20 1.02 -1.26 -4.99 120.64 110.39 3iac n GLU 344 Ca -0.03 -3.35 -0.40 0.00 -0.02 0.00 0.00 57.16 53.36 3iac n GLU 344 Cb 0.57 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 3iac n GLU 344 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3iac s LEU 345 N -3.14 4.21 0.73 -4.62 2.96 -1.26 -4.17 118.68 113.38 3iac s LEU 345 Ca 0.39 0.90 -0.05 0.00 -0.22 0.00 0.00 54.13 55.15 3iac s LEU 345 Cb 0.38 -2.88 0.10 0.00 0.50 0.00 0.00 46.19 44.28 3iac s LEU 345 CO -0.06 -0.18 1.03 -2.16 -1.32 0.00 0.00 176.35 173.65 3iac s PRO 346 N 1.41 1.83 0.22 0.98 0.04 -1.26 -4.90 135.00 133.32 3iac s PRO 346 Ca 0.30 -0.60 -0.32 0.00 0.04 0.00 0.00 61.00 60.42 3iac s PRO 346 Cb -0.16 -2.21 -0.14 0.00 0.04 0.00 0.00 34.50 32.03 3iac s PRO 346 CO 0.12 -1.43 1.30 1.63 0.04 0.00 0.00 177.00 178.67 3iac n LYS 347 N -2.96 1.71 -3.93 4.56 5.02 -1.26 -4.90 118.16 116.41 3iac n LYS 347 Ca 0.11 0.61 -0.14 0.00 -2.02 0.00 0.00 58.31 56.87 3iac n LYS 347 Cb 0.60 -2.20 -0.15 0.00 -0.02 0.00 0.00 35.03 33.27 3iac n LYS 347 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iac s THR 348 N -0.17 0.12 -0.16 -0.18 2.01 -0.72 -4.44 115.64 112.09 3iac s THR 348 Ca 0.69 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.70 3iac s THR 348 Cb -0.72 -0.15 0.00 0.00 0.01 0.00 0.00 72.50 71.64 3iac s THR 348 CO 0.51 0.07 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.73 3iac s ILE 349 N 0.38 2.60 -0.18 1.82 1.01 -1.26 -0.09 121.20 125.48 3iac s ILE 349 Ca -0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 3iac s ILE 349 Cb -0.06 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3iac s ILE 349 CO -0.01 0.52 0.01 -0.76 0.00 0.00 0.00 174.94 174.70 3iac s LEU 350 N 0.87 3.48 -0.04 2.97 1.43 0.78 -1.27 118.68 126.90 3iac s LEU 350 Ca -0.04 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3iac s LEU 350 Cb -0.15 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3iac s LEU 350 CO -0.01 0.14 -0.21 -0.31 0.23 0.00 0.00 176.35 176.20 3iac s TYR 351 N 0.53 1.97 -0.10 0.29 1.51 -0.42 -0.27 117.35 120.86 3iac s TYR 351 Ca -0.00 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 3iac s TYR 351 Cb -0.14 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.41 3iac s TYR 351 CO 0.02 -0.14 -0.19 0.00 -1.11 0.00 0.00 175.55 174.13 3iac h LEU 353 N 6.42 0.00 -8.56 0.00 5.85 -1.27 -3.42 115.31 114.33 3iac h LEU 353 Ca -0.27 0.00 -0.70 0.00 0.84 0.00 0.00 57.88 57.75 3iac h LEU 353 Cb 1.21 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 42.03 3iac h LEU 353 CO 0.51 0.25 -0.47 0.21 -0.34 0.00 0.00 178.44 178.60 3iac s ASN 354 N -6.17 5.98 0.00 1.25 3.84 -1.26 -4.82 114.94 113.75 3iac s ASN 354 Ca 0.04 -0.72 0.07 0.00 0.21 0.00 0.00 52.86 52.47 3iac s ASN 354 Cb 0.07 -2.11 0.31 0.00 -0.55 0.00 0.00 41.25 38.97 3iac s ASN 354 CO 0.73 -0.34 1.22 -0.81 -2.79 0.00 0.00 177.10 175.11 3iac n PRO 355 N 5.10 0.01 0.31 0.43 -0.04 -1.26 -1.33 135.00 138.21 3iac n PRO 355 Ca -0.12 0.36 0.20 0.00 -0.04 0.00 0.00 63.50 63.90 3iac n PRO 355 Cb 0.48 -1.50 0.94 0.00 -0.04 0.00 0.00 33.50 33.38 3iac n PRO 355 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3iac h ARG 356 N 0.00 0.00 -0.20 0.54 0.11 -1.97 -1.75 114.38 111.11 3iac h ARG 356 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3iac h ARG 356 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 3iac h ARG 356 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 3iac n ASP 357 N -3.11 1.88 -0.18 0.08 8.00 -0.44 -4.52 116.55 118.25 3iac n ASP 357 Ca -0.01 -1.76 -0.00 0.00 0.71 0.00 0.00 54.79 53.72 3iac n ASP 357 Cb 0.19 -0.13 0.09 0.00 -0.02 0.00 0.00 41.12 41.25 3iac n ASP 357 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3iac h ASN 358 N 2.45 -0.12 0.54 -2.24 2.35 -1.49 -1.43 115.58 115.63 3iac h ASN 358 Ca 0.00 0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 3iac h ASN 358 Cb 0.54 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 3iac h ASN 358 CO 0.00 -0.04 -0.66 -0.33 -1.65 0.00 0.00 177.43 174.75 3iac h GLU 359 N 0.18 0.11 -0.28 0.81 3.07 -1.83 -0.61 114.58 116.03 3iac h GLU 359 Ca 0.29 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3iac h GLU 359 Cb 0.44 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3iac h GLU 359 CO -0.42 0.72 0.18 0.28 -1.40 0.00 0.00 179.01 178.37 3iac h VAL 360 N 0.07 1.08 -0.24 3.13 2.07 -1.59 -1.95 116.25 118.82 3iac h VAL 360 Ca -0.01 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 3iac h VAL 360 Cb 1.17 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3iac h VAL 360 CO 0.09 0.08 -0.19 -0.07 0.02 0.00 0.00 177.57 177.50 3iac h LEU 361 N 0.37 0.59 -1.49 2.57 4.07 -1.16 -3.19 115.31 117.08 3iac h LEU 361 Ca 0.10 -0.45 0.04 0.00 0.08 0.00 0.00 57.88 57.65 3iac h LEU 361 Cb -0.03 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 3iac h LEU 361 CO -0.02 0.92 0.39 0.00 -1.08 0.00 0.00 178.44 178.65 3iac h ALA 362 N 0.69 1.73 -0.37 1.53 0.00 -1.01 -2.41 119.26 119.42 3iac h ALA 362 Ca 0.05 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 3iac h ALA 362 Cb 0.73 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 3iac h ALA 362 CO 0.05 0.20 0.32 0.25 0.00 0.00 0.00 179.25 180.07 3iac n THR 363 N -4.47 2.54 0.00 0.00 -2.24 -0.74 -4.26 114.28 105.11 3iac n THR 363 Ca 0.07 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 3iac n THR 363 Cb 0.16 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 3iac n THR 363 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3iac n ILE 365 N 0.54 0.00 0.33 2.28 -5.35 -0.91 -3.80 119.36 112.46 3iac n ILE 365 Ca 0.23 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.83 3iac n ILE 365 Cb 0.59 0.00 0.51 0.00 -1.74 0.00 0.00 39.64 39.00 3iac n ILE 365 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iac n GLY 366 N 0.00 -1.16 0.20 3.28 0.00 -1.26 -2.34 105.19 103.91 3iac n GLY 366 Ca 0.00 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3iac n GLY 366 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3iac h ASN 367 N 0.00 0.00 0.00 1.61 2.35 -1.96 -3.38 115.58 114.21 3iac h ASN 367 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3iac h ASN 367 Cb 0.26 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.51 3iac h ASN 367 CO 0.00 0.06 -0.65 0.49 -1.65 0.00 0.00 177.43 175.68 3iac n PHE 368 N -3.09 0.00 -1.22 1.19 3.72 -0.99 -5.08 117.46 111.98 3iac n PHE 368 Ca 0.03 -1.12 -0.29 0.00 -0.05 0.00 0.00 57.45 56.03 3iac n PHE 368 Cb 0.56 -0.21 0.17 0.00 -0.94 0.00 0.00 39.48 39.06 3iac n PHE 368 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3iac s GLN 369 N -2.10 0.55 0.03 -1.08 -1.52 -1.22 -4.72 119.66 109.59 3iac s GLN 369 Ca 0.35 0.49 -0.03 0.00 -1.95 0.00 0.00 55.36 54.22 3iac s GLN 369 Cb 0.36 -1.75 -0.02 0.00 -0.22 0.00 0.00 33.01 31.38 3iac s GLN 369 CO -0.09 -2.65 0.04 0.20 -0.25 0.00 0.00 175.29 172.54 3iac s GLY 370 N -3.54 0.24 0.61 3.09 0.00 -1.26 -5.03 107.32 101.43 3iac s GLY 370 Ca 0.65 -0.67 -0.16 0.00 0.00 0.00 0.00 44.72 44.55 3iac s GLY 370 CO 0.57 -0.78 1.07 2.56 0.00 0.00 0.00 173.10 176.52 3iac s PRO 371 N -2.51 3.18 0.00 2.90 0.04 -1.26 -3.84 135.00 133.51 3iac s PRO 371 Ca -0.06 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.24 3iac s PRO 371 Cb -0.02 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3iac s PRO 371 CO -0.04 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.48 3iac n GLY 372 N -0.86 0.73 2.99 0.56 0.00 -1.26 -4.97 105.19 102.38 3iac n GLY 372 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 3iac n GLY 372 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3iac s ILE 373 N -3.18 -0.00 -0.46 -0.61 2.07 -1.25 -5.12 121.20 112.65 3iac s ILE 373 Ca 0.00 0.01 -0.26 0.00 -1.41 0.00 0.00 60.65 58.99 3iac s ILE 373 Cb 0.00 -0.17 0.03 0.00 0.13 0.00 0.00 42.46 42.44 3iac s ILE 373 CO 0.00 0.00 0.97 0.00 -1.91 0.00 0.00 174.94 174.00 3iac s ALA 374 N 0.12 3.23 -0.75 1.50 0.00 -1.26 -4.28 121.76 120.32 3iac s ALA 374 Ca -0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 3iac s ALA 374 Cb -0.01 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 3iac s ALA 374 CO -0.00 -2.08 0.66 0.41 0.00 0.00 0.00 175.76 174.75 3iac n GLY 375 N 4.89 -0.65 0.36 0.00 0.00 -1.26 -4.92 105.19 103.62 3iac n GLY 375 Ca 0.07 0.35 0.05 0.00 0.00 0.00 0.00 46.02 46.49 3iac n GLY 375 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iac h LYS 376 N -0.68 1.03 -5.06 1.61 3.64 -1.86 -3.38 116.57 111.87 3iac h LYS 376 Ca -0.40 -0.06 -0.65 0.00 -1.27 0.00 0.00 60.65 58.26 3iac h LYS 376 Cb 1.21 -0.23 -0.26 0.00 -0.41 0.00 0.00 32.23 32.54 3iac h LYS 376 CO 0.31 0.68 -0.70 0.08 -2.27 0.00 0.00 179.45 177.56 3iac s VAL 377 N -6.00 3.62 0.12 2.00 1.01 -1.26 -1.76 120.40 118.14 3iac s VAL 377 Ca -0.12 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3iac s VAL 377 Cb 0.21 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3iac s VAL 377 CO 0.81 0.43 -0.06 -1.10 0.00 0.00 0.00 175.10 175.18 3iac s GLN 378 N 1.22 2.27 -0.34 2.72 -1.52 0.87 -4.90 119.66 119.99 3iac s GLN 378 Ca 0.03 -1.02 -0.10 0.00 -1.95 0.00 0.00 55.36 52.31 3iac s GLN 378 Cb -0.14 -2.36 0.01 0.00 -0.22 0.00 0.00 33.01 30.30 3iac s GLN 378 CO -0.00 0.50 0.18 0.12 -0.25 0.00 0.00 175.29 175.83 3iac s PHE 379 N -1.39 3.21 0.62 0.91 5.36 -1.26 -0.16 117.98 125.28 3iac s PHE 379 Ca 0.24 -0.78 -0.17 0.00 -0.96 0.00 0.00 56.93 55.26 3iac s PHE 379 Cb -0.11 -2.39 -0.02 0.00 -0.34 0.00 0.00 43.02 40.16 3iac s PHE 379 CO 0.16 -0.55 1.14 0.20 -1.46 0.00 0.00 175.22 174.70 3iac s GLY 380 N 1.58 2.39 0.67 13.12 0.00 0.63 -4.92 107.32 120.79 3iac s GLY 380 Ca 0.03 0.72 -0.17 0.00 0.00 0.00 0.00 44.72 45.30 3iac s GLY 380 CO 0.06 1.09 0.97 -1.26 0.00 0.00 0.00 173.10 173.96 3iac n SER 381 N -2.00 0.62 -4.71 1.64 2.88 -1.26 -4.75 113.62 106.04 3iac n SER 381 Ca 0.11 0.73 -0.67 0.00 -1.33 0.00 0.00 58.87 57.71 3iac n SER 381 Cb 0.51 -1.40 -0.10 0.00 -0.75 0.00 0.00 64.21 62.47 3iac n SER 381 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iac n GLY 382 N 1.19 0.17 3.78 0.46 0.00 -1.26 -4.88 105.19 104.65 3iac n GLY 382 Ca 0.14 1.01 -0.37 0.00 0.00 0.00 0.00 46.02 46.80 3iac n GLY 382 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3iac s TRP 383 N 3.13 3.53 0.00 1.61 -0.00 -1.26 -3.44 118.94 122.51 3iac s TRP 383 Ca 1.05 0.63 0.00 0.00 -0.00 0.00 0.00 56.10 57.78 3iac s TRP 383 Cb -1.49 -2.24 0.00 0.00 -0.00 0.00 0.00 33.47 29.74 3iac s TRP 383 CO 0.81 0.41 0.00 1.87 -0.00 0.00 0.00 176.95 180.04 3iac n TRP 384 N 2.94 0.00 0.18 5.86 -0.00 -1.26 -1.01 117.44 124.15 3iac n TRP 384 Ca -0.14 0.00 0.16 0.00 -0.00 0.00 0.00 57.50 57.52 3iac n TRP 384 Cb 0.53 0.00 0.79 0.00 -0.00 0.00 0.00 31.31 32.62 3iac n TRP 384 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 3iac h PHE 385 N 0.00 0.00 -0.00 5.87 0.04 -1.92 0.25 116.94 121.17 3iac h PHE 385 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3iac h PHE 385 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3iac h PHE 385 CO 0.00 0.00 -0.15 0.09 -0.60 0.00 0.00 178.31 177.65 3iac n ASN 386 N -3.98 0.59 -4.05 2.17 3.02 -0.18 -4.52 115.26 108.31 3iac n ASN 386 Ca 0.02 -0.62 -0.43 0.00 -0.03 0.00 0.00 54.58 53.53 3iac n ASN 386 Cb 0.33 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 3iac n ASN 386 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iac n ASP 387 N -0.90 4.51 -3.64 6.41 2.03 0.88 -4.07 116.55 121.78 3iac n ASP 387 Ca 0.14 -2.93 -0.08 0.00 0.52 0.00 0.00 54.79 52.44 3iac n ASP 387 Cb 0.30 -1.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.04 3iac n ASP 387 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iac s GLN 388 N 2.77 1.86 0.15 -0.67 1.03 -1.26 -4.94 119.66 118.60 3iac s GLN 388 Ca 0.47 -1.17 -0.21 0.00 0.04 0.00 0.00 55.36 54.49 3iac s GLN 388 Cb 0.09 0.58 0.04 0.00 0.03 0.00 0.00 33.01 33.75 3iac s GLN 388 CO -0.02 -0.84 1.65 -0.22 -2.54 0.00 0.00 175.29 173.32 3iac h LYS 389 N 2.05 -0.15 -0.08 9.60 3.64 -1.97 -2.46 116.57 127.18 3iac h LYS 389 Ca -0.24 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3iac h LYS 389 Cb 1.25 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3iac h LYS 389 CO 0.30 -0.10 0.03 0.22 -2.27 0.00 0.00 179.45 177.63 3iac h ASP 390 N -0.16 0.11 0.00 4.20 3.58 -1.99 -1.32 116.42 120.85 3iac h ASP 390 Ca 0.14 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3iac h ASP 390 Cb 0.38 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.40 3iac h ASP 390 CO -0.36 0.25 0.00 0.61 -2.88 0.00 0.00 179.24 176.86 3iac n GLY 391 N -0.67 0.00 0.95 -0.78 0.00 -0.93 -1.67 105.19 102.09 3iac n GLY 391 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3iac n GLY 391 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iac n LEU 393 N 0.46 0.00 -0.05 0.99 4.77 -0.50 -1.92 117.00 120.75 3iac n LEU 393 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 3iac n LEU 393 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3iac n LEU 393 CO 0.00 0.00 0.37 0.03 -1.33 0.00 0.00 177.39 176.46 3iac h ARG 394 N 0.00 0.82 -0.17 3.23 3.08 -1.58 -0.93 114.38 118.83 3iac h ARG 394 Ca 0.00 -0.58 -0.02 0.00 0.07 0.00 0.00 59.98 59.45 3iac h ARG 394 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3iac h ARG 394 CO 0.00 1.21 0.05 0.37 -1.07 0.00 0.00 179.97 180.52 3iac h GLN 395 N 0.58 0.28 -0.92 0.04 -0.00 -1.65 -2.04 115.11 111.40 3iac h GLN 395 Ca -0.01 -0.06 0.01 0.00 -0.00 0.00 0.00 58.65 58.58 3iac h GLN 395 Cb 1.25 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 28.64 3iac h GLN 395 CO 0.14 0.41 0.60 -0.07 0.00 0.00 0.00 178.83 179.90 3iac h LEU 396 N 0.10 1.07 -0.05 -2.39 3.38 -1.82 -1.02 115.31 114.57 3iac h LEU 396 Ca 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3iac h LEU 396 Cb 0.25 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3iac h LEU 396 CO -0.00 0.78 0.02 -0.08 0.09 0.00 0.00 178.44 179.26 3iac h GLU 397 N 1.26 0.08 -0.52 1.13 4.57 -0.99 -0.73 114.58 119.38 3iac h GLU 397 Ca 0.34 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.40 3iac h GLU 397 Cb -0.13 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 3iac h GLU 397 CO -0.07 0.20 -0.10 1.96 -1.18 0.00 0.00 179.01 179.82 3iac h GLN 398 N -0.06 0.98 -0.85 1.92 1.08 -1.13 -0.42 115.11 116.62 3iac h GLN 398 Ca 0.02 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 56.85 3iac h GLN 398 Cb 0.15 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 3iac h GLN 398 CO -0.00 1.04 0.53 1.25 -0.95 0.00 0.00 178.83 180.69 3iac h LEU 399 N 0.85 1.01 -0.40 1.46 5.85 -1.14 -2.84 115.31 120.10 3iac h LEU 399 Ca 0.13 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 3iac h LEU 399 Cb 0.66 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3iac h LEU 399 CO 0.05 0.76 -0.15 0.28 -0.34 0.00 0.00 178.44 179.03 3iac h SER 400 N 1.17 0.83 0.00 1.25 0.02 -0.71 0.19 113.55 116.29 3iac h SER 400 Ca 0.31 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3iac h SER 400 Cb -0.08 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.24 3iac h SER 400 CO -0.06 1.03 0.00 0.00 -1.14 0.00 0.00 176.83 176.66 3iac n GLN 401 N -4.28 0.75 0.00 3.45 1.13 -0.20 -4.70 117.38 113.53 3iac n GLN 401 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3iac n GLN 401 Cb 0.40 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.69 3iac n GLN 401 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3iac n GLY 403 N 0.24 0.00 3.10 1.08 0.00 0.65 -5.10 105.19 105.16 3iac n GLY 403 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3iac n GLY 403 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iac s LEU 404 N 0.00 4.44 0.31 0.99 1.43 -1.24 -4.97 118.68 119.65 3iac s LEU 404 Ca 0.00 -1.75 -0.01 0.00 -1.03 0.00 0.00 54.13 51.35 3iac s LEU 404 Cb 0.00 -1.70 0.50 0.00 0.03 0.00 0.00 46.19 45.02 3iac s LEU 404 CO 0.00 -0.36 1.96 0.25 0.23 0.00 0.00 176.35 178.43 3iac h LEU 405 N 7.87 0.90 -2.05 1.79 5.85 -1.84 -2.33 115.31 125.50 3iac h LEU 405 Ca -0.14 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.68 3iac h LEU 405 Cb 1.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3iac h LEU 405 CO 0.56 0.64 0.37 0.77 -0.34 0.00 0.00 178.44 180.44 3iac h SER 406 N 1.06 0.00 -0.57 1.25 4.64 -1.97 -0.56 113.55 117.40 3iac h SER 406 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3iac h SER 406 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3iac h SER 406 CO -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 3iac n GLN 407 N -3.87 2.62 -1.90 4.77 6.02 -0.88 -4.69 117.38 119.46 3iac n GLN 407 Ca 0.06 -2.48 -0.42 0.00 -0.01 0.00 0.00 57.00 54.16 3iac n GLN 407 Cb 0.54 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 30.24 3iac n GLN 407 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3iac s PHE 408 N -1.20 2.71 0.24 1.08 5.36 -0.22 -4.84 117.98 121.11 3iac s PHE 408 Ca 0.43 0.43 0.33 0.00 -0.96 0.00 0.00 56.93 57.17 3iac s PHE 408 Cb 0.24 -3.97 1.48 0.00 -0.34 0.00 0.00 43.02 40.43 3iac s PHE 408 CO 0.32 -3.77 2.04 -0.39 -1.46 0.00 0.00 175.22 171.96 3iac h VAL 409 N 4.39 0.16 0.00 3.12 -1.51 -1.89 -3.39 116.25 117.13 3iac h VAL 409 Ca -0.43 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 3iac h VAL 409 Cb 1.20 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 3iac h VAL 409 CO 0.93 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 177.92 3iac n GLY 410 N -0.22 1.42 0.00 5.19 0.00 -1.26 -3.87 105.19 106.45 3iac n GLY 410 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3iac n GLY 410 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3iac n LEU 412 N 0.00 0.00 0.08 0.99 -0.00 -1.26 -4.31 117.00 112.50 3iac n LEU 412 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 3iac n LEU 412 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 3iac n LEU 412 CO 0.00 0.00 0.19 0.71 -0.00 0.00 0.00 177.39 178.29 3iac h THR 413 N 1.97 1.51 -4.13 1.47 1.35 -1.92 -3.47 112.91 109.69 3iac h THR 413 Ca 0.00 -2.75 -0.34 0.00 -0.55 0.00 0.00 66.41 62.77 3iac h THR 413 Cb 0.00 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 3iac h THR 413 CO 0.00 0.80 -0.48 -0.67 -0.25 0.00 0.00 175.52 174.92 3iac n ASP 414 N -3.62 -4.79 -4.49 5.36 2.03 -0.50 -4.94 116.55 105.59 3iac n ASP 414 Ca -0.04 -0.07 -0.26 0.00 0.52 0.00 0.00 54.79 54.93 3iac n ASP 414 Cb 0.86 -3.98 -0.10 0.00 -0.72 0.00 0.00 41.12 37.18 3iac n ASP 414 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3iac s SER 415 N -2.32 3.77 0.00 1.67 0.15 -1.26 -4.51 113.70 111.20 3iac s SER 415 Ca 0.15 -0.82 0.24 0.00 0.70 0.00 0.00 55.95 56.21 3iac s SER 415 Cb -0.07 -0.43 0.30 0.00 -1.71 0.00 0.00 66.02 64.11 3iac s SER 415 CO 0.18 0.08 1.33 -2.11 1.20 0.00 0.00 173.24 173.92 3iac n ARG 416 N -0.14 2.40 -4.11 5.44 1.85 -1.26 -0.04 116.66 120.80 3iac n ARG 416 Ca -0.10 -2.07 -0.36 0.00 -1.00 0.00 0.00 57.85 54.33 3iac n ARG 416 Cb 0.57 -1.48 -0.08 0.00 -1.05 0.00 0.00 32.46 30.42 3iac n ARG 416 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3iac s SER 417 N -1.79 5.77 0.00 2.89 0.15 -1.26 -4.59 113.70 114.86 3iac s SER 417 Ca 0.33 0.27 0.18 0.00 0.70 0.00 0.00 55.95 57.42 3iac s SER 417 Cb 0.21 -1.79 0.78 0.00 -1.71 0.00 0.00 66.02 63.51 3iac s SER 417 CO 0.31 0.36 1.56 0.49 1.20 0.00 0.00 173.24 177.15 3iac n PHE 418 N 2.31 0.00 -0.34 3.44 3.72 -1.26 -2.12 117.46 123.20 3iac n PHE 418 Ca -0.19 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.31 3iac n PHE 418 Cb 0.54 -0.45 0.32 0.00 -0.94 0.00 0.00 39.48 38.95 3iac n PHE 418 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3iac n LEU 419 N -1.45 4.17 0.02 4.37 4.77 -1.26 -4.42 117.00 123.19 3iac n LEU 419 Ca 0.05 -2.10 0.13 0.00 -0.03 0.00 0.00 56.01 54.07 3iac n LEU 419 Cb 0.19 -0.52 0.49 0.00 -2.33 0.00 0.00 43.42 41.25 3iac n LEU 419 CO 0.16 0.82 0.83 -1.54 -1.33 0.00 0.00 177.39 176.32 3iac n SER 420 N 1.22 0.29 0.32 -1.43 3.41 -0.90 -4.08 113.62 112.44 3iac n SER 420 Ca 0.24 0.37 0.21 0.00 -0.26 0.00 0.00 58.87 59.43 3iac n SER 420 Cb 0.74 -0.40 1.08 0.00 -0.26 0.00 0.00 64.21 65.37 3iac n SER 420 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3iac h TYR 421 N 0.00 0.00 0.00 7.33 0.05 -1.82 0.12 116.97 122.65 3iac h TYR 421 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3iac h TYR 421 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 3iac h TYR 421 CO 0.00 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.36 3iac n THR 422 N -3.07 1.13 0.21 -2.88 -2.24 -1.26 -1.84 114.28 104.34 3iac n THR 422 Ca -0.02 0.34 0.06 0.00 -2.27 0.00 0.00 64.05 62.16 3iac n THR 422 Cb 0.13 -1.22 0.45 0.00 -2.10 0.00 0.00 70.33 67.60 3iac n THR 422 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3iac h ARG 423 N 0.00 0.00 -0.19 -0.78 3.08 -1.05 -0.71 114.38 114.73 3iac h ARG 423 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3iac h ARG 423 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.27 3iac h ARG 423 CO 0.00 0.30 -0.72 0.45 -1.07 0.00 0.00 179.97 178.93 3iac h HIS 424 N 0.00 1.08 -0.67 3.04 3.86 -1.55 -1.75 115.15 119.16 3iac h HIS 424 Ca -0.00 -0.45 -0.01 0.00 -1.16 0.00 0.00 60.37 58.75 3iac h HIS 424 Cb 0.61 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 3iac h HIS 424 CO 0.00 1.28 0.39 1.49 0.86 0.00 0.00 177.93 181.96 3iac h GLU 425 N 0.58 0.92 0.15 2.45 4.81 -1.49 -0.36 114.58 121.64 3iac h GLU 425 Ca -0.03 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3iac h GLU 425 Cb 1.34 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3iac h GLU 425 CO 0.15 0.67 -0.07 -0.92 -0.73 0.00 0.00 179.01 178.11 3iac h TYR 426 N 0.92 -0.19 -0.50 0.92 3.20 -1.05 -1.63 116.97 118.65 3iac h TYR 426 Ca 0.24 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.16 3iac h TYR 426 Cb -0.01 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 3iac h TYR 426 CO -0.01 -0.10 0.22 0.35 -1.64 0.00 0.00 178.16 176.98 3iac h PHE 427 N -0.23 0.39 -0.71 -3.82 3.57 -1.17 -2.24 116.94 112.74 3iac h PHE 427 Ca -0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3iac h PHE 427 Cb 0.17 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3iac h PHE 427 CO -0.06 0.16 0.28 0.00 -2.23 0.00 0.00 178.31 176.46 3iac h ARG 428 N 0.42 1.06 -0.44 1.11 3.08 -0.77 0.53 114.38 119.38 3iac h ARG 428 Ca 0.23 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3iac h ARG 428 Cb 0.19 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3iac h ARG 428 CO -0.20 0.88 0.23 0.00 -1.07 0.00 0.00 179.97 179.81 3iac h ARG 429 N 1.01 0.62 -0.14 0.04 3.08 -1.13 -0.70 114.38 117.17 3iac h ARG 429 Ca 0.24 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3iac h ARG 429 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3iac h ARG 429 CO -0.02 0.51 0.07 0.82 -1.07 0.00 0.00 179.97 180.28 3iac h ILE 430 N 0.57 1.11 -0.24 2.04 2.04 -0.96 -0.93 117.51 121.14 3iac h ILE 430 Ca 0.15 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3iac h ILE 430 Cb 0.08 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3iac h ILE 430 CO -0.02 0.10 0.15 0.25 0.00 0.00 0.00 178.15 178.63 3iac h LEU 431 N 0.10 0.26 -1.12 1.44 5.85 -0.79 -0.85 115.31 120.21 3iac h LEU 431 Ca 0.05 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3iac h LEU 431 Cb 0.10 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3iac h LEU 431 CO -0.01 0.19 0.16 0.00 -0.34 0.00 0.00 178.44 178.44 3iac h ASN 433 N 0.77 1.03 0.29 0.00 -1.24 -0.83 0.35 115.58 115.94 3iac h ASN 433 Ca 0.18 -0.41 -0.01 0.00 0.71 0.00 0.00 56.30 56.77 3iac h ASN 433 Cb 0.23 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.00 3iac h ASN 433 CO -0.01 1.21 -0.17 0.25 -1.29 0.00 0.00 177.43 177.42 3iac h LEU 434 N 0.85 -0.42 -0.75 0.34 5.85 -0.61 0.75 115.31 121.32 3iac h LEU 434 Ca 0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3iac h LEU 434 Cb 0.83 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3iac h LEU 434 CO 0.07 -0.28 0.38 -0.07 -0.34 0.00 0.00 178.44 178.20 3iac h LEU 435 N -0.44 0.97 -0.65 2.25 3.38 -1.21 -1.66 115.31 117.94 3iac h LEU 435 Ca -0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3iac h LEU 435 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3iac h LEU 435 CO 0.04 0.82 0.33 1.23 0.09 0.00 0.00 178.44 180.95 3iac h GLY 436 N 1.05 1.00 0.89 0.83 0.00 -0.74 -1.36 103.07 104.73 3iac h GLY 436 Ca 0.26 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3iac h GLY 436 CO -0.04 0.46 0.03 -1.61 0.00 0.00 0.00 176.54 175.38 3iac h GLN 437 N 0.90 0.53 -0.63 4.80 5.75 -0.55 -0.08 115.11 125.82 3iac h GLN 437 Ca 0.23 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 58.62 3iac h GLN 437 Cb 0.09 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.53 3iac h GLN 437 CO -0.03 0.64 0.37 -1.49 -2.65 0.00 0.00 178.83 175.66 3iac h TRP 438 N 0.34 0.68 -0.37 3.99 6.55 -1.14 0.55 115.95 126.56 3iac h TRP 438 Ca 0.09 0.02 -0.10 0.00 0.95 0.00 0.00 58.89 59.86 3iac h TRP 438 Cb 0.38 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 3iac h TRP 438 CO 0.03 0.36 -0.16 0.00 -1.05 0.00 0.00 178.44 177.62 3iac h ALA 439 N 1.30 0.51 -0.50 1.49 0.00 -1.07 0.11 119.26 121.10 3iac h ALA 439 Ca 0.27 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3iac h ALA 439 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3iac h ALA 439 CO -0.14 0.43 0.10 0.37 0.00 0.00 0.00 179.25 180.01 3iac h GLN 440 N 0.54 0.77 -0.03 0.00 4.15 -0.66 -2.13 115.11 117.75 3iac h GLN 440 Ca 0.08 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3iac h GLN 440 Cb 0.70 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.27 3iac h GLN 440 CO 0.05 0.71 0.00 -0.25 -1.93 0.00 0.00 178.83 177.41 3iac n ASP 441 N -4.27 0.28 -0.55 -0.69 8.00 0.15 -4.89 116.55 114.57 3iac n ASP 441 Ca 0.03 -1.44 -0.06 0.00 0.71 0.00 0.00 54.79 54.03 3iac n ASP 441 Cb 0.23 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 3iac n ASP 441 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iac n GLY 442 N 0.86 0.66 0.09 0.44 0.00 -0.80 -4.92 105.19 101.52 3iac n GLY 442 Ca 0.15 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.55 3iac n GLY 442 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iac n GLU 443 N -2.48 0.61 -4.00 1.61 1.02 0.34 -4.88 120.64 112.87 3iac n GLU 443 Ca -0.07 0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 3iac n GLU 443 Cb 0.30 -1.76 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 3iac n GLU 443 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3iac s ILE 444 N -3.40 0.14 0.55 -3.67 -4.36 -1.17 -4.97 121.20 104.33 3iac s ILE 444 Ca -0.02 -1.18 -0.22 0.00 -0.26 0.00 0.00 60.65 58.97 3iac s ILE 444 Cb 0.11 -0.73 -0.05 0.00 1.25 0.00 0.00 42.46 43.04 3iac s ILE 444 CO 0.82 -0.65 1.36 -2.84 0.24 0.00 0.00 174.94 173.87 3iac s PRO 445 N -2.35 3.09 -0.34 0.37 0.02 -1.26 -4.30 135.00 130.24 3iac s PRO 445 Ca -0.08 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3iac s PRO 445 Cb -0.03 -2.23 0.30 0.00 0.02 0.00 0.00 34.50 32.56 3iac s PRO 445 CO -0.04 -1.23 1.85 -0.40 -0.33 0.00 0.00 177.00 176.85 3iac n ASP 446 N -1.09 5.55 -4.59 2.53 5.68 -1.26 -4.83 116.55 118.54 3iac n ASP 446 Ca 0.11 -3.11 -0.42 0.00 -0.50 0.00 0.00 54.79 50.87 3iac n ASP 446 Cb 0.45 -0.92 -0.02 0.00 -1.14 0.00 0.00 41.12 39.49 3iac n ASP 446 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3iac s ASP 447 N -0.25 6.14 0.44 -1.12 -1.08 -1.26 -4.88 116.67 114.65 3iac s ASP 447 Ca 0.36 0.72 0.16 0.00 -0.52 0.00 0.00 52.55 53.27 3iac s ASP 447 Cb 0.29 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 40.20 3iac s ASP 447 CO 0.02 -1.62 1.95 -0.08 0.52 0.00 0.00 175.17 175.97 3iac h GLU 448 N 11.44 0.00 -0.05 4.34 4.81 -2.04 -2.31 114.58 130.77 3iac h GLU 448 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3iac h GLU 448 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3iac h GLU 448 CO 1.11 0.23 0.00 0.00 -0.73 0.00 0.00 179.01 179.62 3iac n ALA 449 N -2.46 1.27 0.00 2.92 0.00 -1.26 -0.69 120.51 120.29 3iac n ALA 449 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3iac n ALA 449 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3iac n ALA 449 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iac n LEU 451 N 0.13 0.00 -0.11 0.00 4.77 -0.87 -2.38 117.00 118.54 3iac n LEU 451 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3iac n LEU 451 Cb 0.01 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3iac n LEU 451 CO 0.00 0.00 1.02 0.77 -1.33 0.00 0.00 177.39 177.85 3iac h SER 452 N 0.00 0.39 0.00 -1.43 4.64 -1.18 -0.54 113.55 115.44 3iac h SER 452 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3iac h SER 452 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3iac h SER 452 CO 0.00 0.28 0.00 0.54 -0.87 0.00 0.00 176.83 176.78 3iac n ARG 453 N -4.85 0.00 0.00 4.77 1.74 -1.00 -1.09 116.66 116.22 3iac n ARG 453 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3iac n ARG 453 Cb 0.03 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3iac n ARG 453 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3iac n VAL 455 N 0.67 0.00 -0.23 1.55 0.31 -0.21 -0.97 118.33 119.45 3iac n VAL 455 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3iac n VAL 455 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 3iac n VAL 455 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3iac h GLN 456 N 0.00 0.89 0.05 5.55 4.20 -1.34 -0.67 115.11 123.78 3iac h GLN 456 Ca 0.00 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3iac h GLN 456 Cb 0.00 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3iac h GLN 456 CO 0.00 0.67 -0.03 -0.44 -0.67 0.00 0.00 178.83 178.36 3iac h ASP 457 N 0.87 -0.06 -0.08 1.46 3.32 -1.30 -1.79 116.42 118.84 3iac h ASP 457 Ca 0.22 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3iac h ASP 457 Cb 0.04 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3iac h ASP 457 CO -0.04 0.16 -0.13 0.40 -1.72 0.00 0.00 179.24 177.91 3iac h ILE 458 N -0.28 1.22 0.00 0.35 2.04 -1.73 0.18 117.51 119.28 3iac h ILE 458 Ca -0.01 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 3iac h ILE 458 Cb 0.25 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3iac h ILE 458 CO 0.01 0.31 -0.07 0.00 0.00 0.00 0.00 178.15 178.40 3iac n PHE 460 N -3.12 -2.13 -0.31 0.00 7.35 -0.70 -4.71 117.46 113.84 3iac n PHE 460 Ca 0.03 0.07 -0.01 0.00 -0.76 0.00 0.00 57.45 56.79 3iac n PHE 460 Cb 0.53 0.56 0.12 0.00 0.35 0.00 0.00 39.48 41.04 3iac n PHE 460 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 3iac h ASN 461 N 0.00 0.86 -0.12 -2.13 2.35 -1.29 -1.40 115.58 113.86 3iac h ASN 461 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3iac h ASN 461 Cb 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3iac h ASN 461 CO 0.00 0.58 0.07 0.78 -1.65 0.00 0.00 177.43 177.21 3iac h ASN 462 N 1.01 0.14 -0.06 5.81 2.35 -1.23 -1.41 115.58 122.19 3iac h ASN 462 Ca 0.35 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 56.08 3iac h ASN 462 Cb 0.08 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3iac h ASN 462 CO -0.14 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.77 3iac h ALA 463 N 1.01 0.05 -0.84 -0.83 0.00 -1.59 0.70 119.26 117.76 3iac h ALA 463 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3iac h ALA 463 Cb 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3iac h ALA 463 CO -0.01 -0.47 0.50 0.37 0.00 0.00 0.00 179.25 179.64 3iac h GLN 464 N 0.02 1.14 -0.08 0.00 4.15 -1.12 -1.74 115.11 117.48 3iac h GLN 464 Ca 0.02 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 3iac h GLN 464 Cb 0.03 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.48 3iac h GLN 464 CO -0.04 0.80 -0.13 -0.09 -1.93 0.00 0.00 178.83 177.44 3iac h ARG 465 N 1.16 0.24 -0.94 1.69 2.43 -1.03 -3.26 114.38 114.66 3iac h ARG 465 Ca 0.30 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3iac h ARG 465 Cb -0.05 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 3iac h ARG 465 CO -0.06 0.71 0.62 -0.92 -1.51 0.00 0.00 179.97 178.81 3iac h TYR 466 N -0.22 1.16 -0.00 2.20 3.20 -0.60 -2.36 116.97 120.35 3iac h TYR 466 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3iac h TYR 466 Cb 0.69 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.57 3iac h TYR 466 CO 0.10 0.69 0.00 1.19 -1.64 0.00 0.00 178.16 178.50 3iac n PHE 467 N -4.47 0.00 -2.56 -3.82 3.72 -0.68 -4.81 117.46 104.85 3iac n PHE 467 Ca 0.12 -0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.10 3iac n PHE 467 Cb 0.07 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 3iac n PHE 467 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3iac s THR 468 N -2.00 4.35 -0.74 4.37 2.01 -0.89 -4.93 115.64 117.81 3iac s THR 468 Ca 0.45 1.74 -0.26 0.00 0.31 0.00 0.00 61.69 63.93 3iac s THR 468 Cb 0.21 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.61 3iac s THR 468 CO 0.35 0.16 1.56 -0.63 -0.69 0.00 0.00 174.62 175.37 3iac s ILE 469 N 0.81 3.59 -2.00 1.82 1.01 -1.26 -5.01 121.20 120.15 3iac s ILE 469 Ca 0.54 0.14 0.32 0.00 0.00 0.00 0.00 60.65 61.65 3iac s ILE 469 Cb -0.26 -4.52 0.90 0.00 0.01 0.00 0.00 42.46 38.59 3iac s ILE 469 CO 0.30 -1.47 2.21 0.29 0.00 0.00 0.00 174.94 176.27