#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqc s ASN 2 N 0.00 5.32 0.38 0.00 0.02 -1.26 -4.97 114.94 114.43 1iqc s ASN 2 Ca 0.00 2.22 -0.27 0.00 -1.02 0.00 0.00 52.86 53.79 1iqc s ASN 2 Cb 0.00 -2.58 -0.09 0.00 0.02 0.00 0.00 41.25 38.60 1iqc s ASN 2 CO 0.00 -1.50 1.29 -1.61 0.02 0.00 0.00 177.10 175.31 1iqc s GLU 3 N -3.51 4.08 0.02 -0.60 0.41 -1.26 -4.90 118.70 112.94 1iqc s GLU 3 Ca 0.73 2.14 0.16 0.00 -0.41 0.00 0.00 54.97 57.60 1iqc s GLU 3 Cb -0.25 -2.83 0.70 0.00 -1.78 0.00 0.00 34.13 29.96 1iqc s GLU 3 CO 0.33 -0.39 1.52 -2.30 -0.49 0.00 0.00 175.26 173.93 1iqc n PRO 4 N 0.30 0.02 -4.77 0.39 -0.02 -1.26 -4.63 135.00 125.03 1iqc n PRO 4 Ca 0.03 0.24 -0.24 0.00 -2.02 0.00 0.00 63.50 61.51 1iqc n PRO 4 Cb 0.43 -1.53 -0.15 0.00 -0.02 0.00 0.00 33.50 32.23 1iqc n PRO 4 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1iqc s ILE 5 N -3.02 1.29 0.22 4.25 1.01 -1.26 -0.03 121.20 123.65 1iqc s ILE 5 Ca 0.07 -0.68 0.11 0.00 0.00 0.00 0.00 60.65 60.15 1iqc s ILE 5 Cb 0.10 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 1iqc s ILE 5 CO 0.30 0.37 -0.20 -1.10 0.00 0.00 0.00 174.94 174.30 1iqc s GLN 6 N -0.28 1.49 0.62 2.79 1.11 -1.24 -4.94 119.66 119.21 1iqc s GLN 6 Ca 0.04 -1.58 -0.18 0.00 0.01 0.00 0.00 55.36 53.65 1iqc s GLN 6 Cb -0.07 -1.63 -0.02 0.00 -1.01 0.00 0.00 33.01 30.28 1iqc s GLN 6 CO -0.00 0.32 1.18 -2.14 0.01 0.00 0.00 175.29 174.67 1iqc s PRO 7 N -3.07 2.84 -0.06 2.91 0.02 -1.26 -4.17 135.00 132.21 1iqc s PRO 7 Ca 0.23 1.72 -0.24 0.00 0.02 0.00 0.00 61.00 62.73 1iqc s PRO 7 Cb -0.06 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1iqc s PRO 7 CO 0.10 -1.28 0.74 0.42 -0.33 0.00 0.00 177.00 176.65 1iqc s ILE 8 N -1.80 5.02 0.04 2.83 1.01 -1.26 -4.88 121.20 122.17 1iqc s ILE 8 Ca 0.75 1.53 -0.10 0.00 0.00 0.00 0.00 60.65 62.82 1iqc s ILE 8 Cb -0.28 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.06 1iqc s ILE 8 CO 0.36 0.24 0.37 -0.54 0.00 0.00 0.00 174.94 175.37 1iqc s LYS 9 N 0.83 3.76 0.72 2.79 1.02 -1.26 -4.53 119.74 123.07 1iqc s LYS 9 Ca 0.40 0.19 -0.16 0.00 0.02 0.00 0.00 55.97 56.42 1iqc s LYS 9 Cb -0.18 -3.07 0.03 0.00 -0.52 0.00 0.00 37.83 34.09 1iqc s LYS 9 CO 0.19 0.61 1.25 0.00 -0.92 0.00 0.00 175.35 176.49 1iqc s ALA 10 N -1.29 2.13 -0.05 5.17 0.00 -1.26 -4.84 121.76 121.63 1iqc s ALA 10 Ca 0.29 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.35 1iqc s ALA 10 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 1iqc s ALA 10 CO 0.16 -1.92 -0.20 0.08 0.00 0.00 0.00 175.76 173.88 1iqc s VAL 11 N -1.73 1.65 -0.25 0.00 1.01 -1.26 -5.11 120.40 114.71 1iqc s VAL 11 Ca 0.78 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1iqc s VAL 11 Cb -0.34 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 1iqc s VAL 11 CO 0.45 0.47 -0.00 0.42 0.00 0.00 0.00 175.10 176.43 1iqc s THR 12 N -0.04 3.55 0.25 3.92 -4.23 -1.26 -4.96 115.64 112.88 1iqc s THR 12 Ca -0.04 -0.58 -0.31 0.00 -1.18 0.00 0.00 61.69 59.58 1iqc s THR 12 Cb -0.12 -2.70 -0.13 0.00 1.34 0.00 0.00 72.50 70.88 1iqc s THR 12 CO 0.03 0.30 1.38 -2.65 -0.54 0.00 0.00 174.62 173.14 1iqc n PRO 13 N 4.81 2.03 0.05 3.99 -0.02 -1.26 -4.86 135.00 139.73 1iqc n PRO 13 Ca -0.17 0.72 0.01 0.00 -2.02 0.00 0.00 63.50 62.04 1iqc n PRO 13 Cb 0.50 -2.36 0.35 0.00 -0.02 0.00 0.00 33.50 31.97 1iqc n PRO 13 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1iqc h GLU 14 N 3.95 0.40 -3.18 -0.52 4.81 -1.98 -3.36 114.58 114.70 1iqc h GLU 14 Ca -0.45 -0.08 -0.58 0.00 -0.13 0.00 0.00 59.36 58.12 1iqc h GLU 14 Cb 1.28 -0.06 -0.40 0.00 0.63 0.00 0.00 28.75 30.20 1iqc h GLU 14 CO 0.74 0.46 -0.77 1.21 -0.73 0.00 0.00 179.01 179.91 1iqc s ASN 15 N -6.80 3.73 0.21 1.04 3.04 -1.26 -5.02 114.94 109.89 1iqc s ASN 15 Ca -0.07 -1.87 -0.09 0.00 0.04 0.00 0.00 52.86 50.87 1iqc s ASN 15 Cb 0.16 -0.76 0.26 0.00 -1.54 0.00 0.00 41.25 39.37 1iqc s ASN 15 CO 0.75 -0.37 1.79 0.00 -3.04 0.00 0.00 177.10 176.23 1iqc h ALA 16 N 7.70 0.89 -0.73 1.71 0.00 -1.98 -1.24 119.26 125.61 1iqc h ALA 16 Ca -0.09 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1iqc h ALA 16 Cb 0.99 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1iqc h ALA 16 CO 0.44 -0.01 0.26 -0.44 0.00 0.00 0.00 179.25 179.50 1iqc h ASP 17 N 0.63 1.02 -0.55 0.00 3.45 -1.96 -1.41 116.42 117.59 1iqc h ASP 17 Ca 0.31 -0.17 -0.09 0.00 0.43 0.00 0.00 57.03 57.50 1iqc h ASP 17 Cb 0.25 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 1iqc h ASP 17 CO -0.21 0.93 -0.01 -0.03 -1.57 0.00 0.00 179.24 178.35 1iqc h MET 18 N 1.07 1.01 -0.30 3.56 4.05 -1.78 -1.60 114.93 120.94 1iqc h MET 18 Ca 0.24 -0.32 -0.08 0.00 -0.28 0.00 0.00 59.70 59.26 1iqc h MET 18 Cb 0.25 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1iqc h MET 18 CO -0.01 1.00 -0.17 0.00 0.23 0.00 0.00 176.91 177.95 1iqc h ALA 19 N 1.05 1.15 -0.45 0.39 0.00 -0.87 0.96 119.26 121.49 1iqc h ALA 19 Ca 0.16 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1iqc h ALA 19 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1iqc h ALA 19 CO 0.03 0.54 -0.27 0.93 0.00 0.00 0.00 179.25 180.48 1iqc h GLU 20 N 0.48 0.97 -0.53 0.00 4.39 -0.94 0.57 114.58 119.52 1iqc h GLU 20 Ca 0.08 -0.45 -0.10 0.00 0.34 0.00 0.00 59.36 59.24 1iqc h GLU 20 Cb 0.57 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1iqc h GLU 20 CO 0.04 1.12 -0.05 1.25 -1.16 0.00 0.00 179.01 180.21 1iqc h LEU 21 N 0.81 0.94 -0.71 1.33 5.85 -0.97 -2.10 115.31 120.46 1iqc h LEU 21 Ca 0.09 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.45 1iqc h LEU 21 Cb 0.86 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1iqc h LEU 21 CO 0.08 1.02 0.05 1.23 -0.34 0.00 0.00 178.44 180.47 1iqc h GLY 22 N 0.98 1.12 0.93 3.75 0.00 -0.56 -2.18 103.07 107.11 1iqc h GLY 22 Ca 0.15 -0.77 0.01 0.00 0.00 0.00 0.00 47.33 46.71 1iqc h GLY 22 CO 0.03 0.72 0.08 1.70 0.00 0.00 0.00 176.54 179.07 1iqc h LYS 23 N 0.96 0.17 -0.29 4.80 3.64 -0.56 -0.69 116.57 124.61 1iqc h LYS 23 Ca 0.18 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1iqc h LYS 23 Cb 0.49 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1iqc h LYS 23 CO 0.02 0.11 0.09 0.52 -2.27 0.00 0.00 179.45 177.92 1iqc h MET 24 N 0.18 0.20 -0.56 1.90 2.86 -1.22 -2.43 114.93 115.86 1iqc h MET 24 Ca 0.07 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1iqc h MET 24 Cb 0.01 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1iqc h MET 24 CO -0.04 0.13 0.20 -0.07 1.06 0.00 0.00 176.91 178.19 1iqc h LEU 25 N 0.21 0.75 -1.69 1.22 3.38 -1.18 -1.53 115.31 116.47 1iqc h LEU 25 Ca 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1iqc h LEU 25 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1iqc h LEU 25 CO -0.15 0.70 -0.08 0.15 0.09 0.00 0.00 178.44 179.15 1iqc h PHE 26 N 0.81 0.10 -0.06 1.13 3.57 -0.66 -2.50 116.94 119.32 1iqc h PHE 26 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1iqc h PHE 26 Cb 0.20 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1iqc h PHE 26 CO 0.01 0.18 0.00 1.19 -2.23 0.00 0.00 178.31 177.46 1iqc n PHE 27 N -4.39 0.04 -2.89 0.41 3.01 -0.86 -1.80 117.46 110.99 1iqc n PHE 27 Ca -0.02 -0.02 -0.43 0.00 1.01 0.00 0.00 57.45 57.99 1iqc n PHE 27 Cb 0.19 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.61 1iqc n PHE 27 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1iqc s ASP 28 N -1.95 6.50 0.00 4.37 -1.08 -0.63 -4.88 116.67 119.00 1iqc s ASP 28 Ca 0.30 0.14 0.20 0.00 -0.52 0.00 0.00 52.55 52.66 1iqc s ASP 28 Cb 0.20 -2.42 0.90 0.00 -1.46 0.00 0.00 42.92 40.14 1iqc s ASP 28 CO 0.30 -0.94 1.64 -0.81 0.52 0.00 0.00 175.17 175.89 1iqc n PRO 29 N 6.86 0.09 0.00 4.34 -0.04 -1.26 -2.86 135.00 142.13 1iqc n PRO 29 Ca 0.05 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 1iqc n PRO 29 Cb 0.48 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.02 1iqc n PRO 29 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1iqc n ARG 30 N -1.44 0.44 0.16 0.54 1.74 -1.26 -1.76 116.66 115.08 1iqc n ARG 30 Ca 0.06 0.05 0.13 0.00 -0.77 0.00 0.00 57.85 57.33 1iqc n ARG 30 Cb 0.21 -1.50 0.43 0.00 -1.02 0.00 0.00 32.46 30.59 1iqc n ARG 30 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1iqc h LEU 31 N 0.00 0.00-10.20 0.55 3.38 -1.77 -3.45 115.31 103.82 1iqc h LEU 31 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1iqc h LEU 31 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1iqc h LEU 31 CO 0.00 0.00 -0.24 -0.94 0.09 0.00 0.00 178.44 177.35 1iqc s SER 32 N -4.90 6.32 0.23 -0.43 1.04 -0.72 -4.64 113.70 110.60 1iqc s SER 32 Ca 0.07 0.40 -0.07 0.00 0.48 0.00 0.00 55.95 56.83 1iqc s SER 32 Cb 0.10 -2.01 0.21 0.00 0.10 0.00 0.00 66.02 64.42 1iqc s SER 32 CO 0.54 -0.22 1.85 0.50 0.98 0.00 0.00 173.24 176.89 1iqc h LYS 33 N 1.02 1.26 0.00 4.02 3.64 -1.45 -2.93 116.57 122.13 1iqc h LYS 33 Ca -0.50 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 58.68 1iqc h LYS 33 Cb 1.22 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1iqc h LYS 33 CO 0.62 0.93 -0.25 0.66 -2.27 0.00 0.00 179.45 179.14 1iqc h SER 34 N 1.26 0.00 -0.03 4.20 4.64 -1.78 0.51 113.55 122.35 1iqc h SER 34 Ca 0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1iqc h SER 34 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1iqc h SER 34 CO -0.05 0.25 -0.01 0.61 -0.87 0.00 0.00 176.83 176.76 1iqc n GLY 35 N 0.62 0.46 0.00 -0.77 0.00 -1.11 -3.70 105.19 100.69 1iqc n GLY 35 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1iqc n GLY 35 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1iqc n PHE 36 N -2.87 0.00 -4.27 1.61 7.35 -1.24 -4.49 117.46 113.55 1iqc n PHE 36 Ca -0.01 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.34 1iqc n PHE 36 Cb 0.08 -0.10 -0.14 0.00 0.35 0.00 0.00 39.48 39.67 1iqc n PHE 36 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1iqc s ILE 37 N -2.29 3.46 0.49 -2.13 1.01 -1.26 -4.91 121.20 115.57 1iqc s ILE 37 Ca -0.02 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1iqc s ILE 37 Cb 0.03 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1iqc s ILE 37 CO 0.19 0.47 0.00 -0.94 0.00 0.00 0.00 174.94 174.66 1iqc s SER 38 N 0.87 4.07 0.35 3.58 1.04 -1.26 -3.87 113.70 118.48 1iqc s SER 38 Ca -0.01 -1.60 0.03 0.00 0.48 0.00 0.00 55.95 54.85 1iqc s SER 38 Cb -0.15 0.33 0.64 0.00 0.10 0.00 0.00 66.02 66.95 1iqc s SER 38 CO 0.01 -0.77 1.97 0.00 0.98 0.00 0.00 173.24 175.43 1iqc h ASN 40 N 0.72 0.00 -0.69 0.00 -0.73 -1.68 -0.87 115.58 112.33 1iqc h ASN 40 Ca 0.18 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.36 1iqc h ASN 40 Cb 0.05 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 1iqc h ASN 40 CO -0.03 0.12 0.45 0.28 -0.37 0.00 0.00 177.43 177.89 1iqc h SER 41 N 0.00 0.79 0.14 1.15 0.02 -1.67 -2.45 113.55 111.54 1iqc h SER 41 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1iqc h SER 41 Cb 0.40 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1iqc h SER 41 CO 0.02 0.58 -1.36 0.00 -1.14 0.00 0.00 176.83 174.92 1iqc n HIS 43 N -1.92 1.49 -2.04 0.00 8.25 -0.36 -1.53 115.22 119.10 1iqc n HIS 43 Ca 0.00 -3.84 -0.41 0.00 -0.26 0.00 0.00 57.72 53.22 1iqc n HIS 43 Cb 0.45 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1iqc n HIS 43 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1iqc s ASN 44 N -1.67 5.66 0.00 0.41 3.84 -0.55 -4.33 114.94 118.30 1iqc s ASN 44 Ca 0.36 0.86 0.11 0.00 0.21 0.00 0.00 52.86 54.41 1iqc s ASN 44 Cb 0.14 -2.53 0.54 0.00 -0.55 0.00 0.00 41.25 38.85 1iqc s ASN 44 CO -0.08 -1.97 1.30 0.18 -2.79 0.00 0.00 177.10 173.75 1iqc n LEU 45 N 11.23 0.00 0.05 3.21 4.77 -1.26 -0.65 117.00 134.35 1iqc n LEU 45 Ca 0.21 0.37 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 1iqc n LEU 45 Cb 0.49 -0.37 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 1iqc n LEU 45 CO 0.70 -0.23 0.27 -1.20 -1.33 0.00 0.00 177.39 175.59 1iqc n SER 46 N -1.37 0.68 -0.08 -1.43 7.64 -1.26 -4.29 113.62 113.50 1iqc n SER 46 Ca 0.04 0.05 0.01 0.00 1.01 0.00 0.00 58.87 59.98 1iqc n SER 46 Cb 0.11 0.31 0.02 0.00 -1.01 0.00 0.00 64.21 63.63 1iqc n SER 46 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1iqc n MET 47 N -2.07 1.33 0.00 1.43 2.81 -0.15 -4.99 117.12 115.48 1iqc n MET 47 Ca 0.03 -1.15 0.00 0.00 -1.81 0.00 0.00 57.70 54.77 1iqc n MET 47 Cb 0.44 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 1iqc n MET 47 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iqc n GLY 48 N -0.16 1.22 1.56 3.03 0.00 -0.98 -4.70 105.19 105.17 1iqc n GLY 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1iqc n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqc n GLY 49 N -0.71 0.57 0.99 -0.02 0.00 0.18 -4.68 105.19 101.52 1iqc n GLY 49 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 1iqc n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iqc n THR 50 N -2.78 0.00 0.44 2.61 -2.24 -1.26 -2.95 114.28 108.10 1iqc n THR 50 Ca 0.00 -0.73 0.08 0.00 -2.27 0.00 0.00 64.05 61.12 1iqc n THR 50 Cb 0.00 0.33 0.10 0.00 -2.10 0.00 0.00 70.33 68.66 1iqc n THR 50 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1iqc n ASP 51 N -2.32 2.55 -3.91 3.42 5.68 -0.58 -1.48 116.55 119.91 1iqc n ASP 51 Ca 0.01 -1.74 -0.31 0.00 -0.50 0.00 0.00 54.79 52.25 1iqc n ASP 51 Cb 0.18 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.08 1iqc n ASP 51 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1iqc n ASN 52 N 0.90 -3.70 -4.23 -1.12 3.02 -1.26 -4.97 115.26 103.90 1iqc n ASN 52 Ca 0.11 -0.78 -0.13 0.00 -0.03 0.00 0.00 54.58 53.75 1iqc n ASN 52 Cb 0.42 -3.02 -0.10 0.00 -0.61 0.00 0.00 39.78 36.46 1iqc n ASN 52 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1iqc s ILE 53 N -3.17 0.51 0.14 2.41 -4.36 -1.26 -4.55 121.20 110.92 1iqc s ILE 53 Ca 0.63 -1.96 -0.25 0.00 -0.26 0.00 0.00 60.65 58.81 1iqc s ILE 53 Cb -0.34 -2.16 -0.00 0.00 1.25 0.00 0.00 42.46 41.21 1iqc s ILE 53 CO 0.78 -0.41 1.61 0.71 0.24 0.00 0.00 174.94 177.86 1iqc h THR 54 N 2.70 0.28 -4.03 8.37 1.35 -1.90 -3.42 112.91 116.27 1iqc h THR 54 Ca -0.36 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.36 1iqc h THR 54 Cb 1.21 0.28 -0.17 0.00 -1.73 0.00 0.00 68.15 67.74 1iqc h THR 54 CO 0.61 0.00 -0.63 0.42 -0.25 0.00 0.00 175.52 175.68 1iqc s THR 55 N -6.00 0.16 0.34 6.82 -4.23 -1.26 -3.48 115.64 107.99 1iqc s THR 55 Ca -0.15 -1.36 -0.28 0.00 -1.18 0.00 0.00 61.69 58.72 1iqc s THR 55 Cb 0.11 -1.02 -0.10 0.00 1.34 0.00 0.00 72.50 72.82 1iqc s THR 55 CO 0.66 -0.75 1.30 -0.44 -0.54 0.00 0.00 174.62 174.85 1iqc s SER 56 N -2.33 6.74 -0.26 3.99 0.01 -1.25 -4.54 113.70 116.06 1iqc s SER 56 Ca -0.02 2.66 -0.24 0.00 1.31 0.00 0.00 55.95 59.66 1iqc s SER 56 Cb 0.01 -2.65 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 1iqc s SER 56 CO -0.06 -0.56 0.82 -0.63 0.41 0.00 0.00 173.24 173.22 1iqc s ILE 57 N -1.16 4.82 0.00 1.44 1.01 -1.26 -0.02 121.20 126.03 1iqc s ILE 57 Ca 0.50 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.62 1iqc s ILE 57 Cb -0.39 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1iqc s ILE 57 CO 0.52 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1iqc n GLY 58 N 3.87 3.39 3.56 6.18 0.00 -0.36 -4.89 105.19 116.94 1iqc n GLY 58 Ca 0.05 -2.12 -0.49 0.00 0.00 0.00 0.00 46.02 43.46 1iqc n GLY 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1iqc n HIS 59 N -0.38 1.09 -2.36 1.61 -0.00 -0.20 -0.66 115.22 114.32 1iqc n HIS 59 Ca 0.00 0.73 -0.17 0.00 0.46 0.00 0.00 57.72 58.74 1iqc n HIS 59 Cb 0.00 -2.23 -0.01 0.00 -0.12 0.00 0.00 29.99 27.62 1iqc n HIS 59 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1iqc n LYS 60 N 1.54 -1.89 -3.09 1.57 5.02 -1.26 -2.55 118.16 117.50 1iqc n LYS 60 Ca 0.15 0.84 -0.21 0.00 -2.02 0.00 0.00 58.31 57.07 1iqc n LYS 60 Cb 0.24 -5.46 0.04 0.00 -0.02 0.00 0.00 35.03 29.84 1iqc n LYS 60 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1iqc n TRP 61 N -3.63 -2.03 -2.14 2.13 -0.00 0.16 -4.97 117.44 106.96 1iqc n TRP 61 Ca -0.20 0.60 -0.41 0.00 -0.00 0.00 0.00 57.50 57.49 1iqc n TRP 61 Cb 0.65 -4.38 -0.02 0.00 -0.00 0.00 0.00 31.31 27.55 1iqc n TRP 61 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1iqc s GLN 62 N -5.76 4.37 -0.36 5.87 -0.21 -1.06 -4.73 119.66 117.79 1iqc s GLN 62 Ca 0.34 2.18 -0.24 0.00 0.02 0.00 0.00 55.36 57.66 1iqc s GLN 62 Cb -0.15 -3.10 0.01 0.00 1.00 0.00 0.00 33.01 30.77 1iqc s GLN 62 CO 0.43 -0.19 0.85 -1.14 -2.12 0.00 0.00 175.29 173.12 1iqc s GLN 63 N -1.43 3.81 0.89 2.91 0.74 -1.26 -1.22 119.66 124.09 1iqc s GLN 63 Ca 0.50 0.46 -0.10 0.00 0.05 0.00 0.00 55.36 56.27 1iqc s GLN 63 Cb -0.39 -3.80 0.13 0.00 1.10 0.00 0.00 33.01 30.05 1iqc s GLN 63 CO 0.49 -0.89 1.15 0.20 -0.55 0.00 0.00 175.29 175.70 1iqc s GLY 64 N 1.84 1.75 0.42 2.59 0.00 0.97 -4.97 107.32 109.93 1iqc s GLY 64 Ca 0.35 0.61 0.22 0.00 0.00 0.00 0.00 44.72 45.90 1iqc s GLY 64 CO 0.17 1.02 1.59 -0.56 0.00 0.00 0.00 173.10 175.32 1iqc h PRO 65 N -1.72 0.00 -3.42 2.90 0.13 -1.95 -3.42 132.00 124.51 1iqc h PRO 65 Ca -0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 1iqc h PRO 65 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 1iqc h PRO 65 CO 0.43 0.04 -0.16 -1.50 -0.23 0.00 0.00 178.00 176.57 1iqc s ILE 66 N -3.19 0.09 0.16 -3.56 2.07 -1.26 -4.90 121.20 110.61 1iqc s ILE 66 Ca 0.07 -0.70 -0.31 0.00 -1.41 0.00 0.00 60.65 58.29 1iqc s ILE 66 Cb 0.05 -1.15 -0.09 0.00 0.13 0.00 0.00 42.46 41.40 1iqc s ILE 66 CO 0.68 -0.39 1.44 0.21 -1.91 0.00 0.00 174.94 174.97 1iqc s ASN 67 N -2.62 6.73 -0.06 4.50 3.84 0.25 -3.76 114.94 123.81 1iqc s ASN 67 Ca 0.01 2.49 -0.30 0.00 0.21 0.00 0.00 52.86 55.27 1iqc s ASN 67 Cb 0.02 -2.60 -0.03 0.00 -0.55 0.00 0.00 41.25 38.09 1iqc s ASN 67 CO -0.09 -0.70 1.26 0.00 -2.79 0.00 0.00 177.10 174.78 1iqc s ALA 68 N 0.79 3.55 0.71 1.71 0.00 -1.26 -4.95 121.76 122.31 1iqc s ALA 68 Ca 0.64 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 1iqc s ALA 68 Cb -0.40 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.18 1iqc s ALA 68 CO 0.34 -0.88 1.10 -1.25 0.00 0.00 0.00 175.76 175.06 1iqc s PRO 69 N 2.53 2.81 0.33 0.00 0.04 -1.26 -4.64 135.00 134.81 1iqc s PRO 69 Ca 0.58 0.49 -0.26 0.00 0.04 0.00 0.00 61.00 61.85 1iqc s PRO 69 Cb -0.26 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 1iqc s PRO 69 CO 0.22 -1.08 0.94 -0.08 0.04 0.00 0.00 177.00 177.05 1iqc s THR 70 N -3.33 4.22 -0.78 1.26 -1.32 -1.26 -4.68 115.64 109.75 1iqc s THR 70 Ca 0.58 1.80 0.26 0.00 -1.21 0.00 0.00 61.69 63.13 1iqc s THR 70 Cb -0.11 -3.98 0.17 0.00 -1.51 0.00 0.00 72.50 67.06 1iqc s THR 70 CO 0.52 0.11 1.61 1.33 -2.21 0.00 0.00 174.62 175.98 1iqc n VAL 71 N 0.47 0.34 -1.91 5.08 0.24 -1.15 -4.58 118.33 116.82 1iqc n VAL 71 Ca 0.02 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1iqc n VAL 71 Cb 0.50 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.53 1iqc n VAL 71 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1iqc s LEU 72 N -3.99 4.37 -0.30 1.34 1.43 -1.26 -1.73 118.68 118.54 1iqc s LEU 72 Ca 0.10 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1iqc s LEU 72 Cb 0.14 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1iqc s LEU 72 CO 0.64 -0.89 0.00 0.59 0.23 0.00 0.00 176.35 176.91 1iqc n ASN 73 N 5.63 -4.95 0.30 2.29 3.02 0.00 -4.85 115.26 116.70 1iqc n ASN 73 Ca 0.16 0.07 0.20 0.00 -0.03 0.00 0.00 54.58 54.98 1iqc n ASN 73 Cb 0.40 -2.69 0.93 0.00 -0.61 0.00 0.00 39.78 37.81 1iqc n ASN 73 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1iqc h SER 74 N 0.00 0.00 0.17 6.41 4.64 -1.58 -1.84 113.55 121.34 1iqc h SER 74 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1iqc h SER 74 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1iqc h SER 74 CO 0.08 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.81 1iqc h SER 75 N 0.00 0.00 0.52 4.97 4.64 -1.82 -1.65 113.55 120.21 1iqc h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iqc h SER 75 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1iqc h SER 75 CO 0.00 0.00 -0.24 0.23 -0.87 0.00 0.00 176.83 175.95 1iqc n MET 76 N -2.97 0.33 -2.02 4.77 2.81 -0.69 -4.93 117.12 114.41 1iqc n MET 76 Ca -0.02 -0.14 -0.39 0.00 -1.81 0.00 0.00 57.70 55.34 1iqc n MET 76 Cb 0.10 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.13 1iqc n MET 76 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1iqc s ASN 77 N -2.77 5.96 0.50 7.83 0.01 -0.62 -4.75 114.94 121.09 1iqc s ASN 77 Ca 0.19 2.61 0.29 0.00 -0.71 0.00 0.00 52.86 55.23 1iqc s ASN 77 Cb 0.19 -2.63 1.11 0.00 0.41 0.00 0.00 41.25 40.33 1iqc s ASN 77 CO 0.57 -1.09 1.89 0.17 -1.51 0.00 0.00 177.10 177.14 1iqc h LEU 78 N 2.15 0.00 -7.70 0.60 -0.00 -1.59 -3.46 115.31 105.32 1iqc h LEU 78 Ca -0.50 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.49 1iqc h LEU 78 Cb 1.26 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.85 1iqc h LEU 78 CO 0.60 0.10 0.36 0.00 -0.00 0.00 0.00 178.44 179.50 1iqc s ALA 79 N -3.64 -1.49 0.12 0.17 0.00 -1.26 -4.94 121.76 110.73 1iqc s ALA 79 Ca 0.01 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.08 1iqc s ALA 79 Cb 0.09 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1iqc s ALA 79 CO 0.59 -0.99 -0.03 -0.65 0.00 0.00 0.00 175.76 174.68 1iqc s GLN 80 N -3.57 2.39 0.00 0.00 -1.52 0.11 -4.85 119.66 112.22 1iqc s GLN 80 Ca 0.10 -0.98 0.00 0.00 -1.95 0.00 0.00 55.36 52.53 1iqc s GLN 80 Cb -0.03 -2.42 0.00 0.00 -0.22 0.00 0.00 33.01 30.34 1iqc s GLN 80 CO 0.02 0.50 0.00 1.19 -0.25 0.00 0.00 175.29 176.75 1iqc n PHE 81 N 0.37 0.00 0.03 0.91 0.99 -1.26 -2.53 117.46 115.97 1iqc n PHE 81 Ca -0.11 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.50 1iqc n PHE 81 Cb 0.53 -0.12 0.65 0.00 -1.00 0.00 0.00 39.48 39.54 1iqc n PHE 81 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 1iqc h TRP 82 N 0.00 0.08 -0.50 1.38 4.06 -1.95 -0.45 115.95 118.58 1iqc h TRP 82 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1iqc h TRP 82 Cb 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 1iqc h TRP 82 CO 0.00 0.04 0.00 -0.40 -3.56 0.00 0.00 178.44 174.52 1iqc n ASP 83 N -4.43 3.43 -2.10 -3.49 5.75 -1.26 -1.46 116.55 112.99 1iqc n ASP 83 Ca 0.07 -1.96 -0.18 0.00 -0.01 0.00 0.00 54.79 52.71 1iqc n ASP 83 Cb 0.47 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 1iqc n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iqc n GLY 84 N 1.25 0.31 0.20 6.12 0.00 -0.18 -4.66 105.19 108.23 1iqc n GLY 84 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1iqc n GLY 84 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1iqc h ARG 85 N 0.00 0.00 -5.42 1.61 0.11 -1.79 -3.41 114.38 105.48 1iqc h ARG 85 Ca -0.42 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.03 1iqc h ARG 85 Cb 1.28 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.20 1iqc h ARG 85 CO 0.53 0.00 -0.58 0.00 0.10 0.00 0.00 179.97 180.02 1iqc s ALA 86 N -3.54 3.37 0.15 0.08 0.00 -1.05 -5.00 121.76 115.78 1iqc s ALA 86 Ca 0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 1iqc s ALA 86 Cb 0.09 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.42 1iqc s ALA 86 CO 0.40 0.28 1.59 -0.22 0.00 0.00 0.00 175.76 177.81 1iqc h LYS 87 N 6.32 0.90 -3.53 0.00 3.64 -1.87 0.31 116.57 122.35 1iqc h LYS 87 Ca -0.40 -0.31 -0.14 0.00 -1.27 0.00 0.00 60.65 58.54 1iqc h LYS 87 Cb 1.18 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1iqc h LYS 87 CO 0.66 0.95 0.06 0.16 -2.27 0.00 0.00 179.45 179.01 1iqc s ASP 88 N -6.44 0.45 0.23 4.20 3.84 -1.26 -4.43 116.67 113.26 1iqc s ASP 88 Ca -0.12 -1.31 -0.06 0.00 -0.00 0.00 0.00 52.55 51.06 1iqc s ASP 88 Cb 0.12 0.77 0.39 0.00 -1.38 0.00 0.00 42.92 42.81 1iqc s ASP 88 CO 0.83 -1.51 1.76 -0.07 -0.00 0.00 0.00 175.17 176.18 1iqc h LEU 89 N 2.05 0.37 -0.21 2.11 3.38 -1.92 -1.17 115.31 119.92 1iqc h LEU 89 Ca -0.30 0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1iqc h LEU 89 Cb 1.25 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1iqc h LEU 89 CO 0.40 0.19 0.05 0.50 0.09 0.00 0.00 178.44 179.66 1iqc h LYS 90 N 0.52 0.13 -0.66 1.13 3.64 -1.93 -1.26 116.57 118.13 1iqc h LYS 90 Ca 0.38 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.67 1iqc h LYS 90 Cb 0.49 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1iqc h LYS 90 CO -0.33 0.08 0.11 1.49 -2.27 0.00 0.00 179.45 178.54 1iqc h GLU 91 N 0.13 1.08 -0.16 1.90 4.81 -1.81 -3.14 114.58 117.39 1iqc h GLU 91 Ca 0.09 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1iqc h GLU 91 Cb 0.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1iqc h GLU 91 CO -0.12 0.99 0.03 0.37 -0.73 0.00 0.00 179.01 179.55 1iqc h GLN 92 N 1.02 0.09 -0.41 1.92 -0.00 -0.79 -3.03 115.11 113.90 1iqc h GLN 92 Ca 0.20 -0.01 0.12 0.00 -0.00 0.00 0.00 58.65 58.97 1iqc h GLN 92 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.87 1iqc h GLN 92 CO 0.01 0.06 0.43 0.00 0.00 0.00 0.00 178.83 179.34 1iqc h ALA 93 N 1.11 2.13 0.00 3.38 0.00 -1.19 0.04 119.26 124.73 1iqc h ALA 93 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1iqc h ALA 93 Cb 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1iqc h ALA 93 CO -0.09 -0.64 -0.09 0.00 0.00 0.00 0.00 179.25 178.42 1iqc h ALA 94 N 1.52 0.98 0.42 0.00 0.00 -1.64 -3.38 119.26 117.15 1iqc h ALA 94 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1iqc h ALA 94 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1iqc h ALA 94 CO -0.00 0.12 -0.20 0.78 0.00 0.00 0.00 179.25 179.94 1iqc h GLY 95 N 2.74 -0.58 0.24 0.00 0.00 -1.12 -3.31 103.07 101.04 1iqc h GLY 95 Ca -0.00 0.22 0.19 0.00 0.00 0.00 0.00 47.33 47.74 1iqc h GLY 95 CO 0.01 -0.21 0.61 -0.56 0.00 0.00 0.00 176.54 176.39 1iqc h PRO 96 N -0.66 0.59 -0.81 4.80 0.13 -1.73 -1.84 132.00 132.48 1iqc h PRO 96 Ca -0.06 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.09 1iqc h PRO 96 Cb 0.43 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 31.37 1iqc h PRO 96 CO 0.09 0.39 0.50 0.82 -0.23 0.00 0.00 178.00 179.58 1iqc h ILE 97 N 0.61 1.04 -0.60 -3.56 2.04 -1.74 -2.49 117.51 112.81 1iqc h ILE 97 Ca 0.52 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1iqc h ILE 97 Cb 1.00 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1iqc h ILE 97 CO -0.27 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.05 1iqc n ALA 98 N -2.35 2.39 -2.61 1.87 0.00 -0.93 -0.78 120.51 118.10 1iqc n ALA 98 Ca 0.11 -1.30 -0.42 0.00 0.00 0.00 0.00 53.44 51.83 1iqc n ALA 98 Cb 0.16 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 1iqc n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1iqc s ASN 99 N -1.01 6.70 0.63 0.00 3.04 -0.74 -4.72 114.94 118.84 1iqc s ASN 99 Ca 0.41 0.63 0.34 0.00 0.04 0.00 0.00 52.86 54.28 1iqc s ASN 99 Cb 0.22 -2.46 1.92 0.00 -1.54 0.00 0.00 41.25 39.40 1iqc s ASN 99 CO 0.27 -0.81 2.18 1.55 -3.04 0.00 0.00 177.10 177.25 1iqc h PRO 100 N 8.37 0.00 0.00 0.43 0.13 -1.89 0.17 132.00 139.21 1iqc h PRO 100 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1iqc h PRO 100 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1iqc h PRO 100 CO 0.96 0.00 -0.46 1.63 -0.23 0.00 0.00 178.00 179.91 1iqc n LYS 101 N -3.44 0.07 0.00 0.86 5.02 -1.26 -4.51 118.16 114.89 1iqc n LYS 101 Ca -0.01 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1iqc n LYS 101 Cb 0.21 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1iqc n LYS 101 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iqc n GLU 102 N -1.64 0.00 0.16 1.97 1.02 -0.17 -3.90 120.64 118.09 1iqc n GLU 102 Ca 0.05 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 1iqc n GLU 102 Cb 0.36 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.98 1iqc n GLU 102 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1iqc h MET 103 N 0.00 0.00 -2.99 3.49 2.86 -1.36 -0.52 114.93 116.41 1iqc h MET 103 Ca 0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 1iqc h MET 103 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1iqc h MET 103 CO 0.00 0.47 -0.45 0.00 1.06 0.00 0.00 176.91 177.98 1iqc n ALA 104 N -2.28 -0.62 -2.23 6.32 0.00 0.43 -1.38 120.51 120.75 1iqc n ALA 104 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1iqc n ALA 104 Cb 0.62 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1iqc n ALA 104 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iqc n SER 105 N -1.84 0.17 -3.97 0.00 2.88 0.04 -4.46 113.62 106.44 1iqc n SER 105 Ca -0.21 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.24 1iqc n SER 105 Cb 0.66 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.02 1iqc n SER 105 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1iqc s THR 106 N 2.39 0.15 0.34 2.46 -4.23 -1.25 -4.17 115.64 111.33 1iqc s THR 106 Ca 0.00 -1.21 0.03 0.00 -1.18 0.00 0.00 61.69 59.33 1iqc s THR 106 Cb 0.00 -0.91 0.22 0.00 1.34 0.00 0.00 72.50 73.15 1iqc s THR 106 CO 0.00 -0.67 1.95 0.45 -0.54 0.00 0.00 174.62 175.82 1iqc h HIS 107 N 3.73 0.70 -0.00 3.99 3.86 -1.94 -0.50 115.15 124.99 1iqc h HIS 107 Ca -0.33 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1iqc h HIS 107 Cb 1.18 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 29.43 1iqc h HIS 107 CO 0.56 0.52 0.00 0.93 0.86 0.00 0.00 177.93 180.80 1iqc h GLU 108 N 0.72 0.00 -0.45 2.45 3.07 -2.00 -1.48 114.58 116.90 1iqc h GLU 108 Ca 0.18 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1iqc h GLU 108 Cb 0.08 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1iqc h GLU 108 CO -0.02 0.04 0.02 0.82 -1.40 0.00 0.00 179.01 178.46 1iqc h ILE 109 N -0.03 1.26 -0.89 3.13 2.04 -1.89 -2.67 117.51 118.45 1iqc h ILE 109 Ca 0.00 -1.01 0.06 0.00 1.00 0.00 0.00 64.86 64.91 1iqc h ILE 109 Cb 0.04 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1iqc h ILE 109 CO -0.00 0.35 0.56 0.00 0.00 0.00 0.00 178.15 179.06 1iqc h ALA 110 N 0.92 1.22 -0.36 1.87 0.00 -0.97 -0.77 119.26 121.16 1iqc h ALA 110 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1iqc h ALA 110 Cb 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1iqc h ALA 110 CO 0.02 0.34 0.21 0.93 0.00 0.00 0.00 179.25 180.75 1iqc h GLU 111 N 1.04 0.49 -0.75 0.00 5.08 -1.10 -2.11 114.58 117.23 1iqc h GLU 111 Ca 0.38 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1iqc h GLU 111 Cb 0.13 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1iqc h GLU 111 CO -0.16 0.38 0.25 0.87 -1.00 0.00 0.00 179.01 179.35 1iqc h LYS 112 N 0.46 1.16 0.38 2.33 1.57 -1.06 -0.74 116.57 120.67 1iqc h LYS 112 Ca 0.13 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1iqc h LYS 112 Cb 0.03 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1iqc h LYS 112 CO -0.02 0.97 -0.18 0.28 -0.57 0.00 0.00 179.45 179.93 1iqc h VAL 113 N 1.12 0.63 -0.57 0.50 2.07 -0.98 -1.42 116.25 117.61 1iqc h VAL 113 Ca 0.24 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 1iqc h VAL 113 Cb 0.29 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1iqc h VAL 113 CO -0.01 0.01 0.19 0.58 0.02 0.00 0.00 177.57 178.36 1iqc h VAL 114 N -0.53 1.23 0.00 2.57 2.07 -1.30 -2.81 116.25 117.49 1iqc h VAL 114 Ca -0.05 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1iqc h VAL 114 Cb 0.40 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1iqc h VAL 114 CO 0.09 0.29 -0.10 0.00 0.02 0.00 0.00 177.57 177.86 1iqc h ALA 115 N 1.05 1.18 0.00 1.67 0.00 -1.07 -2.66 119.26 119.43 1iqc h ALA 115 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1iqc h ALA 115 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1iqc h ALA 115 CO -0.01 0.13 0.00 0.66 0.00 0.00 0.00 179.25 180.03 1iqc h SER 116 N 0.00 0.00 -3.69 0.00 4.64 -0.97 -3.42 113.55 110.11 1iqc h SER 116 Ca -0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 1iqc h SER 116 Cb 0.37 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.26 1iqc h SER 116 CO 0.01 0.00 -0.51 -0.04 -0.87 0.00 0.00 176.83 175.42 1iqc s MET 117 N -3.59 3.41 0.27 4.77 -1.94 -1.00 -4.78 119.30 116.44 1iqc s MET 117 Ca 0.01 -0.69 -0.01 0.00 -1.71 0.00 0.00 55.69 53.30 1iqc s MET 117 Cb 0.09 -3.70 0.58 0.00 2.01 0.00 0.00 34.83 33.81 1iqc s MET 117 CO 0.47 -0.44 1.71 -1.35 -0.01 0.00 0.00 175.02 175.39 1iqc h PRO 118 N 8.43 0.39 -0.22 2.03 0.11 -1.87 -0.95 132.00 139.92 1iqc h PRO 118 Ca -0.31 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1iqc h PRO 118 Cb 1.15 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1iqc h PRO 118 CO 0.63 0.26 0.07 1.96 -0.21 0.00 0.00 178.00 180.70 1iqc h GLN 119 N 0.40 0.30 -0.00 1.05 4.20 -1.94 -0.55 115.11 118.57 1iqc h GLN 119 Ca 0.48 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 59.00 1iqc h GLN 119 Cb 0.84 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.57 1iqc h GLN 119 CO -0.48 0.27 -0.63 1.88 -0.67 0.00 0.00 178.83 179.19 1iqc h TYR 120 N 0.30 0.64 -0.84 2.96 0.99 -1.48 -3.10 116.97 116.44 1iqc h TYR 120 Ca 0.08 -0.35 0.08 0.00 2.00 0.00 0.00 58.73 60.54 1iqc h TYR 120 Cb 0.09 -0.07 -0.07 0.00 1.00 0.00 0.00 36.73 37.68 1iqc h TYR 120 CO 0.00 1.17 0.50 0.00 -0.00 0.00 0.00 178.16 179.83 1iqc h ARG 121 N -0.07 0.84 -0.69 4.88 3.08 -0.73 -0.89 114.38 120.81 1iqc h ARG 121 Ca -0.08 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1iqc h ARG 121 Cb 1.34 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 1iqc h ARG 121 CO 0.12 0.55 0.38 0.93 -1.07 0.00 0.00 179.97 180.89 1iqc h GLU 122 N 0.86 0.94 -0.20 0.04 5.08 -1.17 -1.39 114.58 118.74 1iqc h GLU 122 Ca 0.39 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.48 1iqc h GLU 122 Cb 0.30 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1iqc h GLU 122 CO -0.22 0.68 -0.61 0.00 -1.00 0.00 0.00 179.01 177.86 1iqc h ARG 123 N 0.95 0.68 -0.21 2.33 3.08 -1.14 -1.33 114.38 118.73 1iqc h ARG 123 Ca 0.24 -0.46 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 1iqc h ARG 123 Cb 0.01 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1iqc h ARG 123 CO -0.04 1.08 -0.18 0.74 -1.07 0.00 0.00 179.97 180.50 1iqc h PHE 124 N 0.51 0.40 -0.17 3.04 0.04 -0.82 -0.01 116.94 119.93 1iqc h PHE 124 Ca -0.00 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 1iqc h PHE 124 Cb 1.19 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 1iqc h PHE 124 CO 0.06 0.54 -0.12 -0.22 -0.60 0.00 0.00 178.31 177.97 1iqc h LYS 125 N 0.34 0.39 -0.21 1.51 3.64 -0.88 0.32 116.57 121.68 1iqc h LYS 125 Ca 0.06 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1iqc h LYS 125 Cb 0.52 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1iqc h LYS 125 CO 0.03 0.73 0.12 -0.22 -2.27 0.00 0.00 179.45 177.85 1iqc h LYS 126 N 0.05 0.29 -0.02 1.90 1.63 -0.98 0.09 116.57 119.53 1iqc h LYS 126 Ca 0.03 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.71 1iqc h LYS 126 Cb 0.63 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1iqc h LYS 126 CO 0.03 0.24 -0.37 0.28 -3.45 0.00 0.00 179.45 176.18 1iqc h VAL 127 N 0.25 1.48 -0.00 2.00 2.07 -0.98 -3.39 116.25 117.68 1iqc h VAL 127 Ca 0.07 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1iqc h VAL 127 Cb 0.03 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1iqc h VAL 127 CO -0.01 0.55 -0.77 0.49 0.02 0.00 0.00 177.57 177.85 1iqc n PHE 128 N -4.40 0.00 0.00 1.57 3.01 0.11 -4.99 117.46 112.76 1iqc n PHE 128 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1iqc n PHE 128 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1iqc n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iqc n GLY 129 N 1.38 2.16 3.17 1.37 0.00 0.02 -5.01 105.19 108.29 1iqc n GLY 129 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1iqc n GLY 129 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iqc s SER 130 N -0.06 0.95 -0.06 1.61 1.04 -1.25 -4.89 113.70 111.04 1iqc s SER 130 Ca 0.00 -1.06 0.07 0.00 0.48 0.00 0.00 55.95 55.44 1iqc s SER 130 Cb 0.00 0.14 0.32 0.00 0.10 0.00 0.00 66.02 66.58 1iqc s SER 130 CO 0.00 -0.54 1.11 -0.90 0.98 0.00 0.00 173.24 173.89 1iqc n ASP 131 N -0.06 2.47 -4.73 7.02 3.85 -1.26 -2.37 116.55 121.47 1iqc n ASP 131 Ca -0.10 -2.23 -0.41 0.00 -0.71 0.00 0.00 54.79 51.33 1iqc n ASP 131 Cb 0.62 -0.43 -0.03 0.00 -1.35 0.00 0.00 41.12 39.93 1iqc n ASP 131 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1iqc s GLU 132 N -1.68 4.49 -0.22 0.11 2.12 -1.26 -4.79 118.70 117.47 1iqc s GLU 132 Ca 0.22 1.80 -0.06 0.00 0.36 0.00 0.00 54.97 57.29 1iqc s GLU 132 Cb 0.15 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 1iqc s GLU 132 CO 0.10 -0.12 0.04 0.08 -0.54 0.00 0.00 175.26 174.82 1iqc s VAL 133 N 0.34 4.24 0.07 3.70 1.01 -1.26 -4.95 120.40 123.55 1iqc s VAL 133 Ca 0.54 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1iqc s VAL 133 Cb -0.31 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1iqc s VAL 133 CO 0.33 0.40 -0.08 0.42 0.00 0.00 0.00 175.10 176.18 1iqc s THR 134 N 1.13 0.64 0.48 3.92 -4.23 -1.26 -4.90 115.64 111.42 1iqc s THR 134 Ca 0.04 -1.50 0.14 0.00 -1.18 0.00 0.00 61.69 59.18 1iqc s THR 134 Cb -0.14 -1.14 0.29 0.00 1.34 0.00 0.00 72.50 72.84 1iqc s THR 134 CO 0.02 -0.61 2.09 -0.29 -0.54 0.00 0.00 174.62 175.29 1iqc h ILE 135 N 3.75 1.00 -0.31 2.99 6.09 -1.98 -0.40 117.51 128.65 1iqc h ILE 135 Ca -0.36 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 63.05 1iqc h ILE 135 Cb 1.18 0.75 -0.01 0.00 0.47 0.00 0.00 36.82 39.21 1iqc h ILE 135 CO 0.52 0.04 0.17 -0.78 -3.07 0.00 0.00 178.15 175.03 1iqc h ASP 136 N 0.23 0.39 0.03 2.19 1.82 -1.99 0.12 116.42 119.21 1iqc h ASP 136 Ca 0.11 -0.09 -0.14 0.00 -0.39 0.00 0.00 57.03 56.52 1iqc h ASP 136 Cb 0.14 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1iqc h ASP 136 CO -0.02 0.37 -0.45 0.03 -1.61 0.00 0.00 179.24 177.56 1iqc h ARG 137 N 0.38 0.51 0.09 0.28 3.08 -1.72 -1.31 114.38 115.69 1iqc h ARG 137 Ca 0.11 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1iqc h ARG 137 Cb 0.07 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1iqc h ARG 137 CO -0.02 0.86 -0.04 0.82 -1.07 0.00 0.00 179.97 180.52 1iqc h ILE 138 N 0.41 0.95 -0.10 2.04 2.04 -0.72 -0.68 117.51 121.44 1iqc h ILE 138 Ca 0.03 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 1iqc h ILE 138 Cb 0.96 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1iqc h ILE 138 CO 0.08 0.03 -0.36 0.71 0.00 0.00 0.00 178.15 178.62 1iqc h THR 139 N -0.18 1.28 -0.66 -0.27 1.35 -0.70 -1.51 112.91 112.22 1iqc h THR 139 Ca -0.01 -1.37 -0.08 0.00 -0.55 0.00 0.00 66.41 64.40 1iqc h THR 139 Cb 0.15 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 1iqc h THR 139 CO 0.02 0.41 0.10 0.74 -0.25 0.00 0.00 175.52 176.54 1iqc h THR 140 N 0.18 1.26 -0.14 6.82 2.02 -0.97 -0.77 112.91 121.31 1iqc h THR 140 Ca 0.02 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 1iqc h THR 140 Cb 0.72 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1iqc h THR 140 CO 0.05 0.39 -0.13 0.00 0.37 0.00 0.00 175.52 176.20 1iqc h ALA 141 N 1.08 0.21 -0.68 6.16 0.00 -0.78 -2.21 119.26 123.04 1iqc h ALA 141 Ca 0.20 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1iqc h ALA 141 Cb 0.45 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1iqc h ALA 141 CO 0.01 0.08 0.44 0.82 0.00 0.00 0.00 179.25 180.61 1iqc h ILE 142 N -0.03 1.15 -0.59 0.00 2.04 -1.20 -1.87 117.51 117.01 1iqc h ILE 142 Ca 0.02 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1iqc h ILE 142 Cb 0.66 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1iqc h ILE 142 CO 0.03 0.16 0.35 0.00 0.00 0.00 0.00 178.15 178.70 1iqc h ALA 143 N 1.26 0.77 -0.88 1.87 0.00 -1.10 -0.36 119.26 120.83 1iqc h ALA 143 Ca 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1iqc h ALA 143 Cb -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1iqc h ALA 143 CO -0.07 0.07 0.58 0.37 0.00 0.00 0.00 179.25 180.20 1iqc h GLN 144 N 0.69 1.14 -0.46 0.00 5.75 -0.81 -1.13 115.11 120.29 1iqc h GLN 144 Ca 0.24 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 1iqc h GLN 144 Cb 0.05 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 1iqc h GLN 144 CO -0.11 0.75 0.14 0.35 -2.65 0.00 0.00 178.83 177.31 1iqc h PHE 145 N 1.17 0.74 0.00 3.99 3.57 -0.72 -2.76 116.94 122.92 1iqc h PHE 145 Ca 0.33 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1iqc h PHE 145 Cb -0.11 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.41 1iqc h PHE 145 CO -0.01 0.66 -0.12 0.93 -2.23 0.00 0.00 178.31 177.53 1iqc h GLU 146 N 0.60 0.00 0.00 1.11 5.08 -0.36 -1.17 114.58 119.84 1iqc h GLU 146 Ca 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1iqc h GLU 146 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1iqc h GLU 146 CO -0.00 0.12 -0.07 0.93 -1.00 0.00 0.00 179.01 178.99 1iqc h GLU 147 N 0.00 0.00 0.00 2.33 4.39 -0.93 -1.30 114.58 119.08 1iqc h GLU 147 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iqc h GLU 147 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1iqc h GLU 147 CO 0.02 0.07 -0.22 0.25 -1.16 0.00 0.00 179.01 177.96 1iqc n THR 148 N -4.01 0.04 -0.81 1.13 -2.24 -0.45 -4.29 114.28 103.65 1iqc n THR 148 Ca -0.03 -0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 1iqc n THR 148 Cb 0.15 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.10 1iqc n THR 148 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1iqc n LEU 149 N -1.56 5.41 -4.93 3.22 4.77 -0.49 -4.87 117.00 118.55 1iqc n LEU 149 Ca 0.06 -2.90 -0.26 0.00 -0.03 0.00 0.00 56.01 52.88 1iqc n LEU 149 Cb 0.35 -1.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.15 1iqc n LEU 149 CO 0.31 1.39 0.14 0.68 -1.33 0.00 0.00 177.39 178.57 1iqc s VAL 150 N 0.25 5.11 -0.62 4.08 -7.23 -1.26 -0.82 120.40 119.92 1iqc s VAL 150 Ca 0.36 -0.34 0.05 0.00 -1.81 0.00 0.00 61.98 60.24 1iqc s VAL 150 Cb 0.18 -3.81 0.19 0.00 0.56 0.00 0.00 36.38 33.51 1iqc s VAL 150 CO -0.01 -0.42 0.53 0.35 -0.31 0.00 0.00 175.10 175.24 1iqc n THR 151 N -1.34 1.14 -1.67 5.32 -2.24 -1.26 -4.87 114.28 109.36 1iqc n THR 151 Ca -0.04 -4.64 -0.29 0.00 -2.27 0.00 0.00 64.05 56.81 1iqc n THR 151 Cb 0.55 -2.06 0.11 0.00 -2.10 0.00 0.00 70.33 66.84 1iqc n THR 151 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1iqc s PRO 152 N -1.41 1.55 0.00 -0.78 0.04 -1.26 -3.98 135.00 129.16 1iqc s PRO 152 Ca 0.30 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1iqc s PRO 152 Cb 0.03 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1iqc s PRO 152 CO -0.14 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.40 1iqc n GLY 153 N -2.60 0.75 3.70 0.56 0.00 -1.26 -0.99 105.19 105.35 1iqc n GLY 153 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1iqc n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iqc s SER 154 N -2.51 3.54 0.29 1.61 1.04 -1.26 -4.64 113.70 111.77 1iqc s SER 154 Ca 0.00 2.18 -0.02 0.00 0.48 0.00 0.00 55.95 58.59 1iqc s SER 154 Cb 0.00 -2.57 0.42 0.00 0.10 0.00 0.00 66.02 63.98 1iqc s SER 154 CO 0.00 -2.69 1.94 0.11 0.98 0.00 0.00 173.24 173.58 1iqc h LYS 155 N -1.29 1.12 -0.84 4.02 1.57 -1.72 -1.91 116.57 117.52 1iqc h LYS 155 Ca -0.44 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 1iqc h LYS 155 Cb 1.27 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1iqc h LYS 155 CO 0.45 0.74 0.43 0.35 -0.57 0.00 0.00 179.45 180.85 1iqc h PHE 156 N 1.16 1.18 -0.40 -1.35 3.57 -1.59 -1.31 116.94 118.20 1iqc h PHE 156 Ca 0.36 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 1iqc h PHE 156 Cb -0.01 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.34 1iqc h PHE 156 CO -0.00 0.84 -0.09 -0.44 -2.23 0.00 0.00 178.31 176.39 1iqc h ASP 157 N 1.19 0.67 -0.25 0.41 3.32 -1.63 -0.37 116.42 119.75 1iqc h ASP 157 Ca 0.29 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1iqc h ASP 157 Cb 0.08 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1iqc h ASP 157 CO -0.04 0.80 -0.10 0.11 -1.72 0.00 0.00 179.24 178.29 1iqc h LYS 158 N 0.63 0.64 -0.35 3.56 1.57 -0.67 -0.79 116.57 121.16 1iqc h LYS 158 Ca 0.11 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1iqc h LYS 158 Cb 0.53 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1iqc h LYS 158 CO 0.03 0.73 -0.06 2.35 -0.57 0.00 0.00 179.45 181.93 1iqc h TRP 159 N 0.59 0.73 -0.11 -1.35 7.01 -0.69 -1.07 115.95 121.06 1iqc h TRP 159 Ca 0.11 -0.15 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 1iqc h TRP 159 Cb 0.51 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1iqc h TRP 159 CO 0.02 0.80 0.00 -0.07 -2.79 0.00 0.00 178.44 176.41 1iqc h LEU 160 N 0.46 0.14 -0.16 0.65 3.38 -0.65 -1.56 115.31 117.56 1iqc h LEU 160 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1iqc h LEU 160 Cb 0.55 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1iqc h LEU 160 CO 0.03 0.17 -0.02 -0.62 0.09 0.00 0.00 178.44 178.09 1iqc n GLU 161 N -4.44 0.92 0.00 1.13 1.02 -0.34 -4.90 120.64 114.03 1iqc n GLU 161 Ca -0.01 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1iqc n GLU 161 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1iqc n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iqc n GLY 162 N 1.13 1.20 3.49 0.62 0.00 -0.59 -5.06 105.19 105.97 1iqc n GLY 162 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1iqc n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqc s ASP 163 N -1.20 6.67 0.57 1.61 3.68 -0.44 -4.86 116.67 122.70 1iqc s ASP 163 Ca 0.00 -2.04 0.28 0.00 2.13 0.00 0.00 52.55 52.92 1iqc s ASP 163 Cb 0.00 -2.46 1.52 0.00 -1.45 0.00 0.00 42.92 40.53 1iqc s ASP 163 CO 0.00 -1.15 2.00 0.11 0.13 0.00 0.00 175.17 176.26 1iqc h LYS 164 N 8.78 0.00 -0.09 4.34 1.79 -1.85 -1.19 116.57 128.35 1iqc h LYS 164 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1iqc h LYS 164 Cb 0.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1iqc h LYS 164 CO 1.24 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 179.70 1iqc n ASN 165 N -3.94 1.24 0.27 0.86 3.02 -1.26 -3.89 115.26 111.56 1iqc n ASN 165 Ca 0.06 -1.55 0.16 0.00 -0.03 0.00 0.00 54.58 53.22 1iqc n ASN 165 Cb 0.52 -0.05 0.65 0.00 -0.61 0.00 0.00 39.78 40.29 1iqc n ASN 165 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iqc h ALA 166 N 4.06 1.02 -4.40 5.41 0.00 -1.54 -3.42 119.26 120.39 1iqc h ALA 166 Ca 0.00 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 54.20 1iqc h ALA 166 Cb 0.38 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.88 1iqc h ALA 166 CO 0.00 0.07 -0.87 -0.51 0.00 0.00 0.00 179.25 177.94 1iqc s LEU 167 N -6.36 2.10 0.63 0.00 1.43 -1.25 -4.78 118.68 110.45 1iqc s LEU 167 Ca 0.01 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1iqc s LEU 167 Cb 0.09 -1.20 0.09 0.00 0.03 0.00 0.00 46.19 45.20 1iqc s LEU 167 CO 0.56 0.26 0.88 0.54 0.23 0.00 0.00 176.35 178.83 1iqc s ASN 168 N -0.83 4.79 0.22 2.29 2.20 -1.26 -4.86 114.94 117.49 1iqc s ASN 168 Ca 0.10 -0.33 -0.07 0.00 -0.94 0.00 0.00 52.86 51.61 1iqc s ASN 168 Cb -0.09 -0.26 0.34 0.00 -2.00 0.00 0.00 41.25 39.24 1iqc s ASN 168 CO 0.00 -1.52 1.76 -0.61 -2.94 0.00 0.00 177.10 173.79 1iqc h GLN 169 N -0.19 0.49 -0.59 3.55 5.75 -1.99 -1.20 115.11 120.93 1iqc h GLN 169 Ca -0.37 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.05 1iqc h GLN 169 Cb 1.28 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.69 1iqc h GLN 169 CO 0.44 0.33 0.16 -0.44 -2.65 0.00 0.00 178.83 176.67 1iqc h ASP 170 N 0.51 0.88 -0.64 -0.69 3.45 -1.96 -1.45 116.42 116.51 1iqc h ASP 170 Ca 0.35 -0.22 -0.05 0.00 0.43 0.00 0.00 57.03 57.53 1iqc h ASP 170 Cb 0.42 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.94 1iqc h ASP 170 CO -0.31 0.87 0.19 -0.33 -1.57 0.00 0.00 179.24 178.09 1iqc h GLU 171 N 0.84 1.00 -0.36 3.56 5.08 -1.69 0.07 114.58 123.08 1iqc h GLU 171 Ca 0.19 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1iqc h GLU 171 Cb 0.32 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1iqc h GLU 171 CO -0.00 0.89 0.03 1.25 -1.00 0.00 0.00 179.01 180.18 1iqc h LEU 172 N 0.93 0.60 -1.26 1.33 5.85 -1.08 -1.20 115.31 120.48 1iqc h LEU 172 Ca 0.21 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1iqc h LEU 172 Cb 0.31 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1iqc h LEU 172 CO -0.00 0.74 0.04 -0.33 -0.34 0.00 0.00 178.44 178.54 1iqc h GLU 173 N 0.45 0.54 -0.55 1.25 5.08 -1.08 -0.62 114.58 119.65 1iqc h GLU 173 Ca 0.11 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1iqc h GLU 173 Cb 0.41 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1iqc h GLU 173 CO 0.01 0.54 0.28 0.78 -1.00 0.00 0.00 179.01 179.62 1iqc h GLY 174 N 0.81 0.84 0.98 -3.84 0.00 -0.52 -0.54 103.07 100.79 1iqc h GLY 174 Ca 0.12 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1iqc h GLY 174 CO 0.00 0.39 0.09 -1.82 0.00 0.00 0.00 176.54 175.20 1iqc h TYR 175 N 0.74 0.87 -0.48 5.60 3.20 -0.56 0.11 116.97 126.46 1iqc h TYR 175 Ca 0.19 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1iqc h TYR 175 Cb 0.10 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1iqc h TYR 175 CO -0.01 0.80 0.27 -0.91 -1.64 0.00 0.00 178.16 176.67 1iqc h ASN 176 N 0.70 0.57 -0.09 -2.11 -0.26 -0.78 -0.06 115.58 113.56 1iqc h ASN 176 Ca 0.15 -0.03 -0.23 0.00 -0.56 0.00 0.00 56.30 55.63 1iqc h ASN 176 Cb 0.39 -0.14 0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1iqc h ASN 176 CO 0.01 0.46 -0.81 -0.07 -1.06 0.00 0.00 177.43 175.96 1iqc h LEU 177 N 0.66 0.90 -0.43 1.61 3.38 -0.74 0.22 115.31 120.91 1iqc h LEU 177 Ca 0.17 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 57.57 1iqc h LEU 177 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1iqc h LEU 177 CO -0.03 1.41 0.19 0.15 0.09 0.00 0.00 178.44 180.25 1iqc h PHE 178 N 0.50 0.35 0.19 1.13 3.57 -0.28 0.22 116.94 122.61 1iqc h PHE 178 Ca -0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1iqc h PHE 178 Cb 1.44 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1iqc h PHE 178 CO 0.09 0.16 -0.09 0.87 -2.23 0.00 0.00 178.31 177.11 1iqc h LYS 179 N 0.39 -0.24 -0.75 1.11 1.57 -1.00 -2.23 116.57 115.41 1iqc h LYS 179 Ca 0.19 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1iqc h LYS 179 Cb 0.13 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1iqc h LYS 179 CO -0.16 0.16 0.49 0.78 -0.57 0.00 0.00 179.45 180.15 1iqc h GLY 180 N -0.86 1.05 2.00 3.86 0.00 -0.47 -2.80 103.07 105.85 1iqc h GLY 180 Ca -0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1iqc h GLY 180 CO 0.04 0.35 -0.34 1.48 0.00 0.00 0.00 176.54 178.07 1iqc h SER 181 N 0.96 0.00 0.00 0.19 4.64 -0.70 -3.47 113.55 115.17 1iqc h SER 181 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1iqc h SER 181 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1iqc h SER 181 CO -0.07 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1iqc n GLY 182 N 0.20 0.97 0.37 -0.77 0.00 -1.06 -5.01 105.19 99.89 1iqc n GLY 182 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1iqc n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqc n VAL 184 N -4.55 1.31 -0.18 0.00 0.24 -1.23 -1.41 118.33 112.52 1iqc n VAL 184 Ca 0.16 0.33 -0.01 0.00 -2.04 0.00 0.00 64.34 62.78 1iqc n VAL 184 Cb 0.34 -1.21 0.23 0.00 -1.47 0.00 0.00 33.84 31.74 1iqc n VAL 184 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1iqc h GLN 185 N 0.00 0.92 0.00 7.34 4.15 -1.58 -3.34 115.11 122.60 1iqc h GLN 185 Ca 0.00 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.22 1iqc h GLN 185 Cb 0.10 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1iqc h GLN 185 CO 0.00 0.68 -1.40 0.00 -1.93 0.00 0.00 178.83 176.18 1iqc s HIS 187 N -2.14 3.64 0.36 0.00 3.76 -0.50 -4.42 115.29 115.99 1iqc s HIS 187 Ca -0.05 -1.87 0.01 0.00 -0.15 0.00 0.00 55.06 53.00 1iqc s HIS 187 Cb 0.02 -3.79 -0.00 0.00 1.11 0.00 0.00 32.58 29.92 1iqc s HIS 187 CO 0.22 -0.99 0.45 0.27 -0.85 0.00 0.00 174.74 173.83 1iqc n ASN 188 N 4.23 -1.22 0.00 1.40 0.23 -1.26 -4.15 115.26 114.49 1iqc n ASN 188 Ca 0.08 -3.04 0.00 0.00 -0.53 0.00 0.00 54.58 51.09 1iqc n ASN 188 Cb 0.45 2.38 0.00 0.00 -2.08 0.00 0.00 39.78 40.54 1iqc n ASN 188 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1iqc n GLY 189 N -0.61 -2.32 0.33 4.83 0.00 0.96 -1.51 105.19 106.87 1iqc n GLY 189 Ca 0.03 -1.55 0.09 0.00 0.00 0.00 0.00 46.02 44.58 1iqc n GLY 189 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1iqc h PRO 190 N 0.00 0.43 -0.01 1.61 0.11 -1.86 -2.02 132.00 130.25 1iqc h PRO 190 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1iqc h PRO 190 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1iqc h PRO 190 CO 0.00 0.28 -0.13 0.00 -0.21 0.00 0.00 178.00 177.94 1iqc n ALA 191 N -2.50 2.83 -3.82 -0.75 0.00 -1.26 -4.67 120.51 110.33 1iqc n ALA 191 Ca 0.06 -0.48 -0.25 0.00 0.00 0.00 0.00 53.44 52.78 1iqc n ALA 191 Cb 0.24 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.63 1iqc n ALA 191 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iqc n VAL 192 N 0.00 -3.48 0.00 0.00 0.31 -0.76 -2.71 118.33 111.69 1iqc n VAL 192 Ca 0.15 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1iqc n VAL 192 Cb 0.39 -3.26 0.00 0.00 -0.91 0.00 0.00 33.84 30.07 1iqc n VAL 192 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iqc n GLY 193 N -1.68 0.97 2.91 2.92 0.00 -0.57 -2.56 105.19 107.19 1iqc n GLY 193 Ca -0.21 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1iqc n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqc n GLY 194 N -0.02 0.45 0.68 -0.02 0.00 0.39 -4.68 105.19 101.99 1iqc n GLY 194 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1iqc n GLY 194 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iqc n SER 195 N -0.20 2.82 -3.73 1.61 3.41 -1.26 -1.49 113.62 114.78 1iqc n SER 195 Ca 0.00 -1.88 -0.04 0.00 -0.26 0.00 0.00 58.87 56.70 1iqc n SER 195 Cb 0.10 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1iqc n SER 195 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1iqc s SER 196 N -1.02 -0.17 -0.14 4.04 1.04 -1.26 -4.85 113.70 111.34 1iqc s SER 196 Ca 0.24 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 1iqc s SER 196 Cb 0.13 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 1iqc s SER 196 CO 0.18 -0.93 0.02 -0.31 0.98 0.00 0.00 173.24 173.17 1iqc s TYR 197 N -3.24 3.18 0.09 5.02 1.51 -1.26 -1.19 117.35 121.47 1iqc s TYR 197 Ca 0.13 0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 1iqc s TYR 197 Cb -0.02 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1iqc s TYR 197 CO 0.03 0.26 -0.06 -0.65 -1.11 0.00 0.00 175.55 174.01 1iqc s GLN 198 N -0.16 0.77 0.20 -0.62 -1.52 0.04 -4.91 119.66 113.46 1iqc s GLN 198 Ca 0.06 -1.27 -0.30 0.00 -1.95 0.00 0.00 55.36 51.90 1iqc s GLN 198 Cb -0.12 -0.15 -0.08 0.00 -0.22 0.00 0.00 33.01 32.44 1iqc s GLN 198 CO 0.02 -0.03 1.15 0.21 -0.25 0.00 0.00 175.29 176.39 1iqc s LYS 199 N -3.65 4.55 -0.60 2.91 2.47 -1.26 -1.19 119.74 122.97 1iqc s LYS 199 Ca 0.09 1.81 -0.16 0.00 -1.56 0.00 0.00 55.97 56.14 1iqc s LYS 199 Cb 0.04 -3.25 0.14 0.00 -1.46 0.00 0.00 37.83 33.30 1iqc s LYS 199 CO -0.05 0.02 0.60 1.41 0.16 0.00 0.00 175.35 177.48 1iqc s MET 200 N -0.48 3.10 0.00 4.03 -2.45 0.20 -4.39 119.30 119.31 1iqc s MET 200 Ca 0.50 -1.73 0.00 0.00 -1.25 0.00 0.00 55.69 53.22 1iqc s MET 200 Cb -0.31 -4.32 0.00 0.00 1.25 0.00 0.00 34.83 31.44 1iqc s MET 200 CO 0.37 -1.38 0.00 0.41 1.05 0.00 0.00 175.02 175.46 1iqc n GLY 201 N 5.09 0.63 0.20 2.11 0.00 -1.26 -4.27 105.19 107.69 1iqc n GLY 201 Ca -0.08 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1iqc n GLY 201 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iqc h VAL 202 N 0.00 0.53 0.02 1.61 2.07 -1.32 -3.38 116.25 115.78 1iqc h VAL 202 Ca 0.00 -0.77 -0.28 0.00 0.82 0.00 0.00 66.70 66.46 1iqc h VAL 202 Cb 0.00 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1iqc h VAL 202 CO 0.00 0.12 -1.61 -0.26 0.02 0.00 0.00 177.57 175.84 1iqc h PHE 203 N -0.93 0.06 -3.81 1.57 -1.00 -1.21 -3.48 116.94 108.14 1iqc h PHE 203 Ca -0.04 -0.05 -0.14 0.00 2.81 0.00 0.00 57.97 60.55 1iqc h PHE 203 Cb 0.51 -0.00 -0.19 0.00 3.61 0.00 0.00 35.95 39.88 1iqc h PHE 203 CO 0.04 1.08 -0.58 0.15 -1.61 0.00 0.00 178.31 177.39 1iqc s LYS 204 N -2.61 0.48 0.60 1.51 -0.14 -1.25 -5.09 119.74 113.24 1iqc s LYS 204 Ca -0.05 -0.65 -0.17 0.00 -1.36 0.00 0.00 55.97 53.74 1iqc s LYS 204 Cb 0.08 0.18 -0.03 0.00 -1.68 0.00 0.00 37.83 36.39 1iqc s LYS 204 CO 0.82 -0.11 1.09 -1.25 -0.76 0.00 0.00 175.35 175.15 1iqc s PRO 205 N -2.03 3.15 -0.26 -1.68 0.04 -1.26 -4.30 135.00 128.66 1iqc s PRO 205 Ca -0.10 1.38 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 1iqc s PRO 205 Cb -0.05 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1iqc s PRO 205 CO -0.02 -0.97 0.77 -0.47 0.04 0.00 0.00 177.00 176.34 1iqc s TYR 206 N -2.22 3.28 -0.22 0.56 6.04 -1.26 -4.96 117.35 118.56 1iqc s TYR 206 Ca 0.67 0.98 -0.29 0.00 0.04 0.00 0.00 57.07 58.47 1iqc s TYR 206 Cb -0.20 -3.03 -0.00 0.00 -1.04 0.00 0.00 41.96 37.69 1iqc s TYR 206 CO 0.35 -0.42 1.20 -1.21 -1.54 0.00 0.00 175.55 173.94 1iqc s GLU 207 N 2.77 4.16 0.04 4.97 2.02 -1.26 -4.99 118.70 126.41 1iqc s GLU 207 Ca 0.32 1.45 -0.27 0.00 0.02 0.00 0.00 54.97 56.49 1iqc s GLU 207 Cb -0.15 -3.75 0.07 0.00 0.10 0.00 0.00 34.13 30.39 1iqc s GLU 207 CO 0.09 -0.79 0.64 -0.08 0.02 0.00 0.00 175.26 175.14 1iqc s THR 208 N 3.61 0.00 -0.92 3.63 -1.32 -1.26 -5.02 115.64 114.36 1iqc s THR 208 Ca 0.51 -0.01 0.23 0.00 -1.21 0.00 0.00 61.69 61.21 1iqc s THR 208 Cb -0.18 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.69 1iqc s THR 208 CO 0.14 -0.01 1.12 0.29 -2.21 0.00 0.00 174.62 173.96 1iqc n LYS 209 N 0.37 0.05 -2.04 7.08 4.01 -1.26 -4.90 118.16 121.47 1iqc n LYS 209 Ca -0.18 -0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.19 1iqc n LYS 209 Cb 0.60 -1.52 -0.03 0.00 -0.51 0.00 0.00 35.03 33.58 1iqc n LYS 209 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1iqc s ASN 210 N -3.17 6.70 0.00 4.39 3.84 -1.26 -4.91 114.94 120.53 1iqc s ASN 210 Ca 0.08 2.38 0.24 0.00 0.21 0.00 0.00 52.86 55.77 1iqc s ASN 210 Cb 0.16 -2.57 1.12 0.00 -0.55 0.00 0.00 41.25 39.42 1iqc s ASN 210 CO 0.79 -0.80 1.77 -0.81 -2.79 0.00 0.00 177.10 175.27 1iqc n PRO 211 N 5.04 0.21 -1.63 0.43 -0.04 -1.26 -4.91 135.00 132.83 1iqc n PRO 211 Ca 0.14 0.08 -0.49 0.00 -0.04 0.00 0.00 63.50 63.19 1iqc n PRO 211 Cb 0.41 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 1iqc n PRO 211 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iqc n ALA 212 N -1.37 0.30 0.52 0.55 0.00 -1.26 -4.88 120.51 114.37 1iqc n ALA 212 Ca 0.09 0.48 0.07 0.00 0.00 0.00 0.00 53.44 54.07 1iqc n ALA 212 Cb 0.22 -2.22 0.06 0.00 0.00 0.00 0.00 19.45 17.51 1iqc n ALA 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqc n ALA 213 N 2.89 2.47 -0.60 0.00 0.00 -1.26 -4.79 120.51 119.22 1iqc n ALA 213 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1iqc n ALA 213 Cb 0.25 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1iqc n ALA 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqc n GLY 214 N 0.74 1.89 0.53 0.00 0.00 -1.26 -0.06 105.19 107.04 1iqc n GLY 214 Ca 0.08 -0.60 0.36 0.00 0.00 0.00 0.00 46.02 45.86 1iqc n GLY 214 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1iqc h ARG 215 N 0.00 0.01 -0.21 1.61 2.47 -0.69 0.18 114.38 117.75 1iqc h ARG 215 Ca 0.00 -0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.78 1iqc h ARG 215 Cb 0.00 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1iqc h ARG 215 CO 0.00 0.01 0.19 1.98 0.56 0.00 0.00 179.97 182.71 1iqc h MET 216 N 0.01 0.00 0.00 0.04 4.05 -1.49 0.36 114.93 117.90 1iqc h MET 216 Ca 0.58 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.97 1iqc h MET 216 Cb 2.29 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 33.09 1iqc h MET 216 CO -0.02 0.00 -0.11 -0.44 0.23 0.00 0.00 176.91 176.57 1iqc h ASP 217 N 0.00 0.00 0.09 1.39 3.45 -0.86 0.77 116.42 121.26 1iqc h ASP 217 Ca 0.10 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.24 1iqc h ASP 217 Cb 0.48 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 1iqc h ASP 217 CO -0.00 0.11 -1.77 0.58 -1.57 0.00 0.00 179.24 176.59 1iqc h VAL 218 N 0.00 0.72 0.00 -1.35 2.07 -0.50 -3.42 116.25 113.78 1iqc h VAL 218 Ca -0.00 -2.30 -0.32 0.00 0.82 0.00 0.00 66.70 64.89 1iqc h VAL 218 Cb 0.20 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 1iqc h VAL 218 CO 0.01 0.73 -2.10 0.35 0.02 0.00 0.00 177.57 176.59 1iqc n THR 219 N -3.77 1.43 -0.99 2.57 -2.24 -0.46 -4.98 114.28 105.84 1iqc n THR 219 Ca -0.32 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1iqc n THR 219 Cb 0.94 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1iqc n THR 219 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqc n GLY 220 N 1.65 0.99 3.73 3.38 0.00 0.27 -5.00 105.19 110.21 1iqc n GLY 220 Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1iqc n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iqc s ASN 221 N -3.00 7.02 0.55 1.61 0.02 -1.26 -4.95 114.94 114.94 1iqc s ASN 221 Ca 0.00 1.22 0.23 0.00 -1.02 0.00 0.00 52.86 53.29 1iqc s ASN 221 Cb 0.00 -2.41 1.49 0.00 0.02 0.00 0.00 41.25 40.35 1iqc s ASN 221 CO 0.00 -0.04 2.14 -0.08 0.02 0.00 0.00 177.10 179.14 1iqc h GLU 222 N 6.29 0.00 0.00 -0.60 4.57 -1.95 0.13 114.58 123.03 1iqc h GLU 222 Ca -0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1iqc h GLU 222 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1iqc h GLU 222 CO 0.73 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.56 1iqc h ALA 223 N 1.91 1.00 -0.10 2.92 0.00 -2.02 -2.18 119.26 120.80 1iqc h ALA 223 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iqc h ALA 223 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1iqc h ALA 223 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1iqc n ASP 224 N -2.46 3.09 -4.71 0.00 8.00 0.03 -4.88 116.55 115.62 1iqc n ASP 224 Ca 0.01 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.09 1iqc n ASP 224 Cb 0.19 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 1iqc n ASP 224 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1iqc s ARG 225 N -1.90 4.19 -1.07 -1.24 3.52 -0.82 -1.81 118.95 119.82 1iqc s ARG 225 Ca 0.30 2.42 0.00 0.00 -0.13 0.00 0.00 55.73 58.32 1iqc s ARG 225 Cb 0.21 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1iqc s ARG 225 CO 0.30 -0.68 0.00 0.09 -0.81 0.00 0.00 175.30 174.21 1iqc n ASN 226 N 4.48 -4.24 -4.59 -2.12 5.03 0.92 -4.89 115.26 109.84 1iqc n ASN 226 Ca 0.15 0.25 -0.37 0.00 0.87 0.00 0.00 54.58 55.47 1iqc n ASN 226 Cb 0.38 -2.62 -0.11 0.00 -1.02 0.00 0.00 39.78 36.41 1iqc n ASN 226 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1iqc s VAL 227 N -2.36 5.23 0.29 2.41 1.01 -0.75 -0.63 120.40 125.60 1iqc s VAL 227 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.18 1iqc s VAL 227 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1iqc s VAL 227 CO 0.00 0.28 -0.02 -0.36 0.00 0.00 0.00 175.10 175.00 1iqc s PHE 228 N 1.58 1.92 0.28 5.22 0.40 -0.33 -0.24 117.98 126.80 1iqc s PHE 228 Ca 0.07 -0.79 -0.29 0.00 -0.60 0.00 0.00 56.93 55.32 1iqc s PHE 228 Cb -0.15 -1.14 -0.10 0.00 0.51 0.00 0.00 43.02 42.14 1iqc s PHE 228 CO 0.09 0.18 1.28 0.21 0.70 0.00 0.00 175.22 177.68 1iqc s LYS 229 N -3.78 4.41 -0.10 0.44 2.20 -0.54 -0.78 119.74 121.59 1iqc s LYS 229 Ca 0.31 2.11 -0.30 0.00 -0.36 0.00 0.00 55.97 57.73 1iqc s LYS 229 Cb 0.05 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 1iqc s LYS 229 CO 0.12 -0.15 1.38 0.08 -0.36 0.00 0.00 175.35 176.43 1iqc s VAL 230 N -0.77 4.01 0.66 4.02 1.01 -0.33 -4.87 120.40 124.14 1iqc s VAL 230 Ca 0.51 1.26 -0.15 0.00 0.00 0.00 0.00 61.98 63.60 1iqc s VAL 230 Cb -0.38 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1iqc s VAL 230 CO 0.47 -0.09 1.12 -2.84 0.00 0.00 0.00 175.10 173.76 1iqc s PRO 231 N 3.39 2.78 0.34 2.72 0.02 -1.26 0.15 135.00 143.14 1iqc s PRO 231 Ca 0.61 1.45 -0.27 0.00 0.02 0.00 0.00 61.00 62.81 1iqc s PRO 231 Cb -0.26 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 1iqc s PRO 231 CO 0.21 -1.27 1.11 -0.08 -0.33 0.00 0.00 177.00 176.63 1iqc s THR 232 N -2.25 3.43 -2.64 0.99 -1.32 -1.26 -3.84 115.64 108.76 1iqc s THR 232 Ca 0.68 1.29 0.24 0.00 -1.21 0.00 0.00 61.69 62.69 1iqc s THR 232 Cb -0.22 -3.77 0.36 0.00 -1.51 0.00 0.00 72.50 67.37 1iqc s THR 232 CO 0.41 0.20 1.39 0.18 -2.21 0.00 0.00 174.62 174.59 1iqc n LEU 233 N 0.59 3.01 -4.74 9.08 4.77 -1.06 -4.80 117.00 123.86 1iqc n LEU 233 Ca 0.02 -1.19 -0.41 0.00 -0.03 0.00 0.00 56.01 54.40 1iqc n LEU 233 Cb 0.46 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1iqc n LEU 233 CO 0.51 0.59 1.04 -0.13 -1.33 0.00 0.00 177.39 178.08 1iqc s ARG 234 N -1.72 4.33 -1.98 3.23 1.81 -1.25 -2.11 118.95 121.25 1iqc s ARG 234 Ca 0.35 2.17 0.00 0.00 -1.72 0.00 0.00 55.73 56.53 1iqc s ARG 234 Cb 0.21 -3.15 0.00 0.00 -0.45 0.00 0.00 34.95 31.56 1iqc s ARG 234 CO 0.31 -0.34 0.00 0.09 -0.68 0.00 0.00 175.30 174.68 1iqc n ASN 235 N 2.52 -5.36 0.29 0.23 3.02 -0.60 -4.84 115.26 110.51 1iqc n ASN 235 Ca 0.07 0.40 0.16 0.00 -0.03 0.00 0.00 54.58 55.18 1iqc n ASN 235 Cb 0.41 -4.54 0.94 0.00 -0.61 0.00 0.00 39.78 35.99 1iqc n ASN 235 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1iqc h ILE 236 N 0.00 0.44 0.00 2.41 6.09 -1.70 0.59 117.51 125.34 1iqc h ILE 236 Ca -0.41 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.06 1iqc h ILE 236 Cb 1.27 0.96 -0.00 0.00 0.47 0.00 0.00 36.82 39.52 1iqc h ILE 236 CO 0.57 0.00 -0.10 -0.08 -3.07 0.00 0.00 178.15 175.48 1iqc h GLU 237 N 0.00 0.00 -0.02 2.19 4.81 -1.84 -2.92 114.58 116.80 1iqc h GLU 237 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1iqc h GLU 237 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1iqc h GLU 237 CO -0.00 0.10 -0.20 1.28 -0.73 0.00 0.00 179.01 179.46 1iqc n LEU 238 N -3.96 2.51 -0.97 1.64 4.77 0.19 -4.59 117.00 116.59 1iqc n LEU 238 Ca -0.02 -0.90 -0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1iqc n LEU 238 Cb 0.19 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.48 1iqc n LEU 238 CO 0.31 0.44 0.64 0.35 -1.33 0.00 0.00 177.39 177.81 1iqc n THR 239 N 0.72 2.42 -1.41 -5.08 -2.24 -1.10 -4.62 114.28 102.97 1iqc n THR 239 Ca 0.11 -2.65 -0.34 0.00 -2.27 0.00 0.00 64.05 58.91 1iqc n THR 239 Cb 0.52 -0.30 0.09 0.00 -2.10 0.00 0.00 70.33 68.55 1iqc n THR 239 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1iqc s TYR 240 N -3.16 2.14 0.90 4.78 -0.85 -1.26 -4.60 117.35 115.31 1iqc s TYR 240 Ca 0.43 1.61 -0.13 0.00 -0.52 0.00 0.00 57.07 58.45 1iqc s TYR 240 Cb 0.38 -3.38 0.14 0.00 0.38 0.00 0.00 41.96 39.48 1iqc s TYR 240 CO 0.00 -2.42 1.17 -1.25 -1.52 0.00 0.00 175.55 171.53 1iqc s PRO 241 N -4.06 1.19 0.32 -3.49 0.04 -1.26 -4.13 135.00 123.61 1iqc s PRO 241 Ca 0.72 0.15 0.08 0.00 0.04 0.00 0.00 61.00 61.98 1iqc s PRO 241 Cb -0.26 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1iqc s PRO 241 CO 0.46 -2.13 0.24 0.71 0.04 0.00 0.00 177.00 176.32 1iqc s TYR 242 N -3.41 2.89 0.17 0.56 1.51 0.12 -4.78 117.35 114.41 1iqc s TYR 242 Ca 0.65 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 1iqc s TYR 242 Cb -0.12 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1iqc s TYR 242 CO 0.52 0.27 0.00 1.19 -1.11 0.00 0.00 175.55 176.42 1iqc n PHE 243 N -1.29 -1.10 0.33 2.71 0.99 -1.26 -2.21 117.46 115.63 1iqc n PHE 243 Ca -0.03 0.60 0.21 0.00 -0.00 0.00 0.00 57.45 58.24 1iqc n PHE 243 Cb 0.60 -1.00 1.15 0.00 -1.00 0.00 0.00 39.48 39.23 1iqc n PHE 243 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.76 177.88 1iqc h HIS 244 N -0.40 0.00 -0.03 1.38 2.07 -1.95 -0.47 115.15 115.74 1iqc h HIS 244 Ca -0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 1iqc h HIS 244 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 1iqc h HIS 244 CO 0.01 0.00 -0.02 -0.40 -3.07 0.00 0.00 177.93 174.45 1iqc n ASP 245 N -3.21 2.93 -1.42 3.10 3.85 -1.26 -0.59 116.55 119.96 1iqc n ASP 245 Ca -0.03 -1.97 -0.16 0.00 -0.71 0.00 0.00 54.79 51.93 1iqc n ASP 245 Cb 0.09 0.02 -0.05 0.00 -1.35 0.00 0.00 41.12 39.83 1iqc n ASP 245 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iqc n GLY 246 N 1.33 0.99 0.22 6.12 0.00 -0.19 -4.79 105.19 108.87 1iqc n GLY 246 Ca 0.14 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1iqc n GLY 246 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iqc h GLY 247 N 0.00 0.00 -7.47 -0.02 0.00 -1.67 -3.41 103.07 90.50 1iqc h GLY 247 Ca -0.34 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.27 1iqc h GLY 247 CO 0.47 0.00 -0.45 0.00 0.00 0.00 0.00 176.54 176.56 1iqc s ALA 248 N -3.74 3.37 0.19 3.60 0.00 -1.11 -4.96 121.76 119.12 1iqc s ALA 248 Ca -0.00 -1.94 0.20 0.00 0.00 0.00 0.00 51.96 50.21 1iqc s ALA 248 Cb 0.11 -2.76 0.76 0.00 0.00 0.00 0.00 23.12 21.23 1iqc s ALA 248 CO 0.64 -1.56 1.77 0.00 0.00 0.00 0.00 175.76 176.62 1iqc h ALA 249 N 8.53 1.04 -2.41 0.00 0.00 -1.88 0.34 119.26 124.88 1iqc h ALA 249 Ca -0.26 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 53.75 1iqc h ALA 249 Cb 1.10 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1iqc h ALA 249 CO 0.75 0.42 -0.77 0.95 0.00 0.00 0.00 179.25 180.61 1iqc s THR 250 N -3.68 2.36 0.28 0.00 -4.23 -1.26 -4.73 115.64 104.38 1iqc s THR 250 Ca -0.00 -2.31 0.03 0.00 -1.18 0.00 0.00 61.69 58.23 1iqc s THR 250 Cb 0.11 -2.23 0.06 0.00 1.34 0.00 0.00 72.50 71.78 1iqc s THR 250 CO 0.68 -0.37 1.71 -0.07 -0.54 0.00 0.00 174.62 176.03 1iqc h LEU 251 N 2.50 0.43 -0.48 4.79 3.38 -1.97 -2.13 115.31 121.83 1iqc h LEU 251 Ca -0.41 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 1iqc h LEU 251 Cb 1.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1iqc h LEU 251 CO 0.58 0.71 0.30 -0.33 0.09 0.00 0.00 178.44 179.79 1iqc h GLU 252 N 0.37 0.64 -0.59 1.13 3.07 -1.96 -0.19 114.58 117.06 1iqc h GLU 252 Ca 0.05 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1iqc h GLU 252 Cb 0.71 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 1iqc h GLU 252 CO 0.05 0.46 0.14 0.37 -1.40 0.00 0.00 179.01 178.63 1iqc h GLN 253 N 0.64 0.95 -0.46 2.33 4.15 -1.91 -0.84 115.11 119.97 1iqc h GLN 253 Ca 0.17 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1iqc h GLN 253 Cb -0.03 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1iqc h GLN 253 CO -0.03 0.87 0.28 0.00 -1.93 0.00 0.00 178.83 178.02 1iqc h ALA 254 N 1.03 0.59 -0.47 3.38 0.00 -1.03 -0.93 119.26 121.84 1iqc h ALA 254 Ca 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1iqc h ALA 254 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1iqc h ALA 254 CO 0.00 0.08 0.11 0.28 0.00 0.00 0.00 179.25 179.72 1iqc h VAL 255 N 0.61 1.24 -0.70 0.00 2.07 -0.84 -0.21 116.25 118.42 1iqc h VAL 255 Ca 0.17 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1iqc h VAL 255 Cb -0.00 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1iqc h VAL 255 CO -0.03 0.29 0.23 -0.33 0.02 0.00 0.00 177.57 177.75 1iqc h GLU 256 N 0.63 1.09 -0.30 1.57 5.08 -0.95 -0.34 114.58 121.36 1iqc h GLU 256 Ca 0.15 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1iqc h GLU 256 Cb 0.32 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1iqc h GLU 256 CO 0.00 0.93 0.02 1.15 -1.00 0.00 0.00 179.01 180.12 1iqc h THR 257 N 1.03 1.25 -0.36 1.13 2.02 -1.02 -1.22 112.91 115.74 1iqc h THR 257 Ca 0.23 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1iqc h THR 257 Cb 0.29 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1iqc h THR 257 CO -0.01 0.29 0.23 0.24 0.37 0.00 0.00 175.52 176.64 1iqc h MET 258 N 0.32 0.48 -0.65 6.66 2.86 -0.80 0.02 114.93 123.81 1iqc h MET 258 Ca 0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1iqc h MET 258 Cb 0.39 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1iqc h MET 258 CO 0.01 0.33 0.36 0.78 1.06 0.00 0.00 176.91 179.45 1iqc h GLY 259 N 0.48 0.98 0.66 8.32 0.00 -0.97 -1.34 103.07 111.20 1iqc h GLY 259 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1iqc h GLY 259 CO -0.03 0.43 -0.13 -0.09 0.00 0.00 0.00 176.54 176.72 1iqc h ARG 260 N 0.89 -0.36 0.00 4.80 2.43 -0.84 0.13 114.38 121.44 1iqc h ARG 260 Ca 0.23 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1iqc h ARG 260 Cb 0.04 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1iqc h ARG 260 CO -0.04 -0.04 -0.78 0.44 -1.51 0.00 0.00 179.97 178.04 1iqc n ILE 261 N -5.11 0.24 -0.07 1.20 -5.35 -0.04 -2.08 119.36 108.15 1iqc n ILE 261 Ca -0.09 -0.23 -0.03 0.00 -0.27 0.00 0.00 62.75 62.12 1iqc n ILE 261 Cb 0.25 0.06 -0.15 0.00 -1.74 0.00 0.00 39.64 38.06 1iqc n ILE 261 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iqc n GLN 262 N -1.98 0.86 0.00 6.28 1.13 -0.51 -0.72 117.38 122.44 1iqc n GLN 262 Ca 0.03 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1iqc n GLN 262 Cb 0.43 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1iqc n GLN 262 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1iqc n LEU 263 N -2.54 0.59 -3.81 1.08 4.77 -0.98 -4.74 117.00 111.37 1iqc n LEU 263 Ca -0.22 -0.60 -0.28 0.00 -0.03 0.00 0.00 56.01 54.88 1iqc n LEU 263 Cb 0.93 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.06 1iqc n LEU 263 CO 0.40 0.15 0.12 -3.20 -1.33 0.00 0.00 177.39 173.53 1iqc n ASN 264 N -0.03 -4.77 -3.98 -1.43 4.05 -0.71 -4.96 115.26 103.44 1iqc n ASN 264 Ca 0.00 -0.72 -0.29 0.00 0.45 0.00 0.00 54.58 54.01 1iqc n ASN 264 Cb 0.09 -4.20 -0.16 0.00 1.23 0.00 0.00 39.78 36.74 1iqc n ASN 264 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1iqc s ARG 265 N -6.46 2.03 -0.56 1.20 6.06 0.39 -4.96 118.95 116.65 1iqc s ARG 265 Ca 0.57 -0.55 -0.19 0.00 -2.50 0.00 0.00 55.73 53.05 1iqc s ARG 265 Cb -0.28 -2.06 0.09 0.00 0.06 0.00 0.00 34.95 32.76 1iqc s ARG 265 CO 0.80 -0.30 0.68 -1.21 -2.50 0.00 0.00 175.30 172.78 1iqc s GLU 266 N 1.52 3.07 0.37 5.12 2.02 -1.26 -2.44 118.70 127.11 1iqc s GLU 266 Ca 0.03 -1.17 -0.26 0.00 0.02 0.00 0.00 54.97 53.60 1iqc s GLU 266 Cb -0.14 -4.21 -0.09 0.00 0.10 0.00 0.00 34.13 29.80 1iqc s GLU 266 CO -0.10 -1.43 1.10 -0.06 0.02 0.00 0.00 175.26 174.79 1iqc s PHE 267 N 2.68 3.28 0.73 1.61 0.40 -1.26 -5.04 117.98 120.37 1iqc s PHE 267 Ca 0.13 1.63 -0.09 0.00 -0.60 0.00 0.00 56.93 58.00 1iqc s PHE 267 Cb -0.22 -3.24 0.06 0.00 0.51 0.00 0.00 43.02 40.12 1iqc s PHE 267 CO 0.08 -0.81 1.06 0.54 0.70 0.00 0.00 175.22 176.80 1iqc s ASN 268 N -1.28 4.83 0.22 1.36 2.20 -1.26 -4.84 114.94 116.17 1iqc s ASN 268 Ca 0.54 0.64 -0.08 0.00 -0.94 0.00 0.00 52.86 53.02 1iqc s ASN 268 Cb -0.27 -1.27 0.34 0.00 -2.00 0.00 0.00 41.25 38.04 1iqc s ASN 268 CO 0.34 -1.63 1.74 0.11 -2.94 0.00 0.00 177.10 174.71 1iqc h LYS 269 N -0.72 0.41 -0.24 3.55 1.79 -1.99 -1.76 116.57 117.61 1iqc h LYS 269 Ca -0.45 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 57.90 1iqc h LYS 269 Cb 1.31 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 1iqc h LYS 269 CO 0.62 0.27 -0.26 -0.44 -1.08 0.00 0.00 179.45 178.56 1iqc h ASP 270 N 0.42 0.47 -0.38 0.86 3.45 -1.99 -0.72 116.42 118.53 1iqc h ASP 270 Ca 0.34 -0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.60 1iqc h ASP 270 Cb 0.46 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.08 1iqc h ASP 270 CO -0.34 0.72 0.08 -0.33 -1.57 0.00 0.00 179.24 177.80 1iqc h GLU 271 N 0.41 0.62 -0.38 3.56 5.08 -1.78 -1.07 114.58 121.02 1iqc h GLU 271 Ca 0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1iqc h GLU 271 Cb 0.67 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1iqc h GLU 271 CO 0.05 0.66 0.19 0.28 -1.00 0.00 0.00 179.01 179.19 1iqc h VAL 272 N 0.47 1.17 -0.88 3.13 2.07 -1.13 -1.46 116.25 119.63 1iqc h VAL 272 Ca 0.12 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.23 1iqc h VAL 272 Cb 0.33 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1iqc h VAL 272 CO 0.00 0.18 0.55 -1.28 0.02 0.00 0.00 177.57 177.04 1iqc h SER 273 N 0.48 0.87 -0.37 0.57 0.87 -0.88 -0.48 113.55 114.62 1iqc h SER 273 Ca 0.13 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.55 1iqc h SER 273 Cb 0.11 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1iqc h SER 273 CO -0.02 0.55 -0.39 0.11 -0.53 0.00 0.00 176.83 176.55 1iqc h LYS 274 N 1.00 0.92 -0.44 2.24 1.57 -0.84 -1.62 116.57 119.40 1iqc h LYS 274 Ca 0.39 -0.49 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1iqc h LYS 274 Cb 0.18 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1iqc h LYS 274 CO -0.18 1.15 0.10 0.82 -0.57 0.00 0.00 179.45 180.77 1iqc h ILE 275 N 0.74 1.24 -0.92 1.86 2.04 -0.85 -1.48 117.51 120.13 1iqc h ILE 275 Ca 0.06 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1iqc h ILE 275 Cb 0.99 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1iqc h ILE 275 CO 0.10 0.29 0.59 0.58 0.00 0.00 0.00 178.15 179.71 1iqc h VAL 276 N 0.59 1.24 -0.52 1.67 2.07 -1.03 0.32 116.25 120.58 1iqc h VAL 276 Ca 0.14 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1iqc h VAL 276 Cb 0.33 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1iqc h VAL 276 CO 0.00 0.24 0.30 0.00 0.02 0.00 0.00 177.57 178.14 1iqc h ALA 277 N 1.39 0.66 -0.22 1.67 0.00 -0.90 -2.05 119.26 119.82 1iqc h ALA 277 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1iqc h ALA 277 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1iqc h ALA 277 CO -0.07 0.16 0.15 0.35 0.00 0.00 0.00 179.25 179.84 1iqc h PHE 278 N 0.70 0.28 -0.83 0.00 3.57 -0.49 -2.69 116.94 117.47 1iqc h PHE 278 Ca 0.19 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.81 1iqc h PHE 278 Cb 0.01 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1iqc h PHE 278 CO -0.02 0.18 0.54 -0.07 -2.23 0.00 0.00 178.31 176.71 1iqc h LEU 279 N 0.30 0.64 -1.63 0.59 3.38 -0.48 0.80 115.31 118.91 1iqc h LEU 279 Ca 0.08 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1iqc h LEU 279 Cb -0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1iqc h LEU 279 CO -0.02 0.36 -0.02 0.11 0.09 0.00 0.00 178.44 178.96 1iqc h LYS 280 N 0.70 0.00 0.00 1.13 1.57 -1.04 -1.69 116.57 117.23 1iqc h LYS 280 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1iqc h LYS 280 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1iqc h LYS 280 CO -0.16 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 178.99 1iqc n THR 281 N -3.13 0.00 0.78 -0.16 -2.24 0.27 -2.69 114.28 107.11 1iqc n THR 281 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1iqc n THR 281 Cb 0.28 -0.43 0.28 0.00 -2.10 0.00 0.00 70.33 68.36 1iqc n THR 281 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1iqc n LEU 282 N -0.91 2.33 -4.64 3.22 4.77 -0.64 -1.56 117.00 119.57 1iqc n LEU 282 Ca 0.19 -1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 54.69 1iqc n LEU 282 Cb 0.09 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1iqc n LEU 282 CO 0.14 0.53 0.70 -0.89 -1.33 0.00 0.00 177.39 176.54 1iqc s THR 283 N -1.58 4.78 0.00 -5.08 2.01 -1.10 -1.56 115.64 113.12 1iqc s THR 283 Ca 0.33 1.56 0.00 0.00 0.31 0.00 0.00 61.69 63.89 1iqc s THR 283 Cb 0.18 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1iqc s THR 283 CO 0.25 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 1iqc n GLY 284 N 3.80 1.89 3.71 4.40 0.00 -1.26 -4.17 105.19 113.56 1iqc n GLY 284 Ca 0.06 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1iqc n GLY 284 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iqc s ASP 285 N -1.00 6.80 0.62 1.61 1.01 -0.16 -4.84 116.67 120.71 1iqc s ASP 285 Ca 0.00 2.31 -0.10 0.00 0.71 0.00 0.00 52.55 55.47 1iqc s ASP 285 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1iqc s ASP 285 CO 0.00 -0.69 1.01 -1.10 0.21 0.00 0.00 175.17 174.60 1iqc s GLN 286 N 1.46 3.37 -0.03 8.23 -1.52 -1.26 -4.46 119.66 125.45 1iqc s GLN 286 Ca 0.65 0.57 -0.38 0.00 -1.95 0.00 0.00 55.36 54.25 1iqc s GLN 286 Cb -0.36 -2.11 -0.17 0.00 -0.22 0.00 0.00 33.01 30.14 1iqc s GLN 286 CO 0.30 -0.65 1.39 -2.30 -0.25 0.00 0.00 175.29 173.78 1iqc n PRO 287 N -2.74 0.90 -3.98 2.91 -0.02 -1.26 -4.93 135.00 125.88 1iqc n PRO 287 Ca 0.05 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 1iqc n PRO 287 Cb 0.55 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 1iqc n PRO 287 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1iqc s ASP 288 N 1.14 4.59 0.18 2.55 3.68 -1.26 -5.06 116.67 122.48 1iqc s ASP 288 Ca 0.89 -2.55 -0.22 0.00 2.13 0.00 0.00 52.55 52.80 1iqc s ASP 288 Cb -1.06 -1.64 0.06 0.00 -1.45 0.00 0.00 42.92 38.83 1iqc s ASP 288 CO 0.54 -0.32 0.61 0.72 0.13 0.00 0.00 175.17 176.85 1iqc s PHE 289 N 0.35 -0.46 0.43 -5.34 -0.12 -1.26 -5.15 117.98 106.44 1iqc s PHE 289 Ca 0.14 0.20 -0.24 0.00 -0.05 0.00 0.00 56.93 56.98 1iqc s PHE 289 Cb -0.22 0.57 -0.08 0.00 -0.63 0.00 0.00 43.02 42.66 1iqc s PHE 289 CO -0.04 -0.91 1.18 0.15 -0.05 0.00 0.00 175.22 175.54 1iqc s LYS 290 N -3.78 3.88 0.06 1.99 -0.14 -1.26 -4.93 119.74 115.56 1iqc s LYS 290 Ca 0.03 1.82 -0.32 0.00 -1.36 0.00 0.00 55.97 56.14 1iqc s LYS 290 Cb -0.02 -2.53 -0.11 0.00 -1.68 0.00 0.00 37.83 33.49 1iqc s LYS 290 CO -0.09 -0.46 1.83 -0.11 -0.76 0.00 0.00 175.35 175.75 1iqc n LEU 291 N -0.24 3.76 -4.76 3.17 7.94 -1.26 -4.88 117.00 120.72 1iqc n LEU 291 Ca 0.06 0.98 -0.41 0.00 -1.11 0.00 0.00 56.01 55.53 1iqc n LEU 291 Cb 0.47 -1.48 -0.02 0.00 0.53 0.00 0.00 43.42 42.93 1iqc n LEU 291 CO 0.49 0.05 1.06 -2.16 -1.11 0.00 0.00 177.39 175.72 1iqc s PRO 292 N 3.07 4.27 -0.29 1.96 0.04 -1.26 -4.98 135.00 137.80 1iqc s PRO 292 Ca 0.85 2.33 -0.09 0.00 0.04 0.00 0.00 61.00 64.14 1iqc s PRO 292 Cb -0.56 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 1iqc s PRO 292 CO 0.42 -0.35 0.13 0.42 0.04 0.00 0.00 177.00 177.66 1iqc s ILE 293 N -0.74 4.57 0.14 0.56 -1.09 -1.26 -5.09 121.20 118.30 1iqc s ILE 293 Ca 0.54 -0.30 -0.05 0.00 -2.23 0.00 0.00 60.65 58.61 1iqc s ILE 293 Cb -0.42 -3.27 -0.06 0.00 -1.58 0.00 0.00 42.46 37.14 1iqc s ILE 293 CO 0.52 0.16 0.37 -0.76 -1.23 0.00 0.00 174.94 174.00 1iqc s LEU 294 N 1.63 4.27 0.54 2.97 1.43 -1.26 -5.08 118.68 123.18 1iqc s LEU 294 Ca 0.05 0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 53.54 1iqc s LEU 294 Cb -0.16 -3.28 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 1iqc s LEU 294 CO 0.06 0.06 1.13 -2.16 0.23 0.00 0.00 176.35 175.67 1iqc s PRO 295 N -2.62 3.39 0.46 1.29 0.04 -1.26 -5.00 135.00 131.30 1iqc s PRO 295 Ca 0.40 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 62.85 1iqc s PRO 295 Cb -0.12 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1iqc s PRO 295 CO 0.24 -0.82 1.02 -1.25 0.04 0.00 0.00 177.00 176.23 1iqc s PRO 296 N -3.25 3.93 0.76 0.56 0.04 -1.26 -5.03 135.00 130.75 1iqc s PRO 296 Ca 0.72 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 1iqc s PRO 296 Cb -0.24 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.19 1iqc s PRO 296 CO 0.27 -0.32 1.10 -1.12 0.04 0.00 0.00 177.00 176.97 1iqc s SER 297 N -1.97 4.54 0.29 6.66 0.01 -1.26 -4.91 113.70 117.06 1iqc s SER 297 Ca 0.65 1.86 0.04 0.00 1.31 0.00 0.00 55.95 59.81 1iqc s SER 297 Cb -0.15 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 1iqc s SER 297 CO 0.19 -2.01 0.14 -0.46 0.41 0.00 0.00 173.24 171.51 1iqc n ASN 298 N -3.39 0.73 0.32 2.44 6.94 -1.26 -5.00 115.26 116.04 1iqc n ASN 298 Ca 0.09 -2.64 0.19 0.00 -0.02 0.00 0.00 54.58 52.20 1iqc n ASN 298 Cb 0.53 0.90 1.00 0.00 -2.36 0.00 0.00 39.78 39.85 1iqc n ASN 298 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1iqc h ASN 299 N 1.31 0.00 0.71 0.53 2.35 -1.97 -0.70 115.58 117.82 1iqc h ASN 299 Ca -0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1iqc h ASN 299 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1iqc h ASN 299 CO 0.35 0.00 -0.61 0.47 -1.65 0.00 0.00 177.43 175.99 1iqc n ASP 300 N -3.08 0.61 -4.71 5.81 10.43 -1.26 -4.91 116.55 119.43 1iqc n ASP 300 Ca -0.02 -0.02 -0.42 0.00 2.57 0.00 0.00 54.79 56.90 1iqc n ASP 300 Cb 0.24 0.23 -0.03 0.00 1.84 0.00 0.00 41.12 43.41 1iqc n ASP 300 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1iqc s THR 301 N -3.11 4.04 0.22 -3.53 2.01 -0.27 -4.92 115.64 110.08 1iqc s THR 301 Ca 0.08 1.46 -0.32 0.00 0.31 0.00 0.00 61.69 63.21 1iqc s THR 301 Cb 0.15 -3.93 -0.13 0.00 0.01 0.00 0.00 72.50 68.60 1iqc s THR 301 CO 0.72 0.10 1.57 -2.65 -0.69 0.00 0.00 174.62 173.67 1iqc n PRO 302 N 4.07 2.39 -2.71 4.92 -0.02 -1.26 -4.87 135.00 137.51 1iqc n PRO 302 Ca 0.09 0.86 -0.37 0.00 -2.02 0.00 0.00 63.50 62.06 1iqc n PRO 302 Cb 0.46 -2.62 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 1iqc n PRO 302 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1iqc s ARG 303 N 0.32 4.46 0.57 -0.52 0.52 -1.26 -4.99 118.95 118.06 1iqc s ARG 303 Ca 0.72 1.38 -0.21 0.00 -0.52 0.00 0.00 55.73 57.10 1iqc s ARG 303 Cb -0.59 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1iqc s ARG 303 CO 0.42 0.15 1.32 -1.12 0.02 0.00 0.00 175.30 176.10 1iqc s SER 304 N -1.61 5.11 -0.56 0.23 0.01 -1.26 -4.98 113.70 110.63 1iqc s SER 304 Ca 0.53 2.69 0.07 0.00 1.31 0.00 0.00 55.95 60.54 1iqc s SER 304 Cb -0.19 -2.63 0.27 0.00 0.21 0.00 0.00 66.02 63.68 1iqc s SER 304 CO 0.25 -1.67 0.73 0.00 0.41 0.00 0.00 173.24 172.95 1iqc n GLN 305 N -1.29 2.15 0.09 12.44 6.02 0.17 -4.93 117.38 132.03 1iqc n GLN 305 Ca 0.12 -4.31 0.02 0.00 -0.01 0.00 0.00 57.00 52.83 1iqc n GLN 305 Cb 0.46 -1.99 0.39 0.00 1.02 0.00 0.00 30.24 30.12 1iqc n GLN 305 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1iqc h PRO 306 N 3.89 0.31 0.00 -1.09 0.13 -1.75 -3.35 132.00 130.14 1iqc h PRO 306 Ca 0.15 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1iqc h PRO 306 Cb 0.70 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1iqc h PRO 306 CO 0.73 0.38 -0.94 0.66 -0.23 0.00 0.00 178.00 178.60 1iqc n TYR 307 N -4.31 0.00 0.00 1.56 4.02 -1.26 -4.82 117.16 112.34 1iqc n TYR 307 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1iqc n TYR 307 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1iqc n TYR 307 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94