#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqc n ASN 2 N 0.00 2.62 -4.73 0.00 3.02 -1.26 -5.10 115.26 109.81 1iqc n ASN 2 Ca 0.00 -2.81 -0.33 0.00 -0.03 0.00 0.00 54.58 51.40 1iqc n ASN 2 Cb 0.00 -0.47 0.09 0.00 -0.61 0.00 0.00 39.78 38.79 1iqc n ASN 2 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1iqc s GLU 3 N -3.51 2.14 0.17 3.52 0.41 -1.26 -4.89 118.70 115.28 1iqc s GLU 3 Ca 0.35 1.63 0.21 0.00 -0.41 0.00 0.00 54.97 56.75 1iqc s GLU 3 Cb 0.39 -1.85 0.86 0.00 -1.78 0.00 0.00 34.13 31.76 1iqc s GLU 3 CO -0.02 -1.81 1.63 -0.35 -0.49 0.00 0.00 175.26 174.22 1iqc n PRO 4 N -2.88 0.13 -5.14 0.39 -0.04 -1.26 -4.63 135.00 121.56 1iqc n PRO 4 Ca 0.12 0.36 -0.31 0.00 -0.04 0.00 0.00 63.50 63.63 1iqc n PRO 4 Cb 0.51 -1.75 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 1iqc n PRO 4 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1iqc s ILE 5 N -3.21 2.39 0.19 0.52 1.01 -1.26 -0.95 121.20 119.89 1iqc s ILE 5 Ca 0.05 -1.01 0.11 0.00 0.00 0.00 0.00 60.65 59.81 1iqc s ILE 5 Cb 0.09 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1iqc s ILE 5 CO 0.36 0.57 -0.24 -1.10 0.00 0.00 0.00 174.94 174.52 1iqc s GLN 6 N -0.70 1.51 0.68 2.79 1.11 -1.23 -4.94 119.66 118.87 1iqc s GLN 6 Ca 0.11 -1.51 -0.16 0.00 0.01 0.00 0.00 55.36 53.81 1iqc s GLN 6 Cb -0.10 -1.85 0.01 0.00 -1.01 0.00 0.00 33.01 30.06 1iqc s GLN 6 CO -0.00 0.40 1.16 -2.14 0.01 0.00 0.00 175.29 174.72 1iqc s PRO 7 N -2.63 2.56 -0.02 2.91 0.02 -1.26 -4.07 135.00 132.52 1iqc s PRO 7 Ca 0.20 1.60 -0.19 0.00 0.02 0.00 0.00 61.00 62.64 1iqc s PRO 7 Cb -0.08 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1iqc s PRO 7 CO 0.09 -1.48 0.52 0.42 -0.33 0.00 0.00 177.00 176.23 1iqc s ILE 8 N -2.09 4.97 -0.00 2.83 1.01 -1.26 -4.89 121.20 121.77 1iqc s ILE 8 Ca 0.71 1.08 0.03 0.00 0.00 0.00 0.00 60.65 62.48 1iqc s ILE 8 Cb -0.25 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1iqc s ILE 8 CO 0.41 0.45 -0.09 -0.54 0.00 0.00 0.00 174.94 175.18 1iqc s LYS 9 N -0.33 2.51 0.49 2.79 1.02 -1.26 -4.52 119.74 120.44 1iqc s LYS 9 Ca 0.28 -0.73 -0.21 0.00 0.02 0.00 0.00 55.97 55.33 1iqc s LYS 9 Cb -0.17 -2.47 -0.10 0.00 -0.52 0.00 0.00 37.83 34.57 1iqc s LYS 9 CO 0.15 0.60 0.76 0.00 -0.92 0.00 0.00 175.35 175.94 1iqc n ALA 10 N 1.68 -0.60 -4.05 5.17 0.00 -1.26 -4.88 120.51 116.57 1iqc n ALA 10 Ca -0.16 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 1iqc n ALA 10 Cb 0.52 -1.94 -0.15 0.00 0.00 0.00 0.00 19.45 17.88 1iqc n ALA 10 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iqc s VAL 11 N -1.48 1.99 -0.18 0.00 1.01 -1.26 -5.10 120.40 115.38 1iqc s VAL 11 Ca 0.67 -1.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 1iqc s VAL 11 Cb -0.52 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1iqc s VAL 11 CO 0.55 0.11 0.57 0.42 0.00 0.00 0.00 175.10 176.74 1iqc s THR 12 N 1.22 5.08 0.14 3.92 -4.23 -1.26 -4.76 115.64 115.76 1iqc s THR 12 Ca -0.05 1.08 -0.34 0.00 -1.18 0.00 0.00 61.69 61.20 1iqc s THR 12 Cb -0.18 -3.89 -0.15 0.00 1.34 0.00 0.00 72.50 69.62 1iqc s THR 12 CO -0.07 0.18 1.43 -2.65 -0.54 0.00 0.00 174.62 172.97 1iqc n PRO 13 N 4.63 1.69 -0.04 3.99 -0.02 -1.26 -4.86 135.00 139.13 1iqc n PRO 13 Ca -0.04 0.61 0.03 0.00 -2.02 0.00 0.00 63.50 62.08 1iqc n PRO 13 Cb 0.50 -2.29 0.38 0.00 -0.02 0.00 0.00 33.50 32.07 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 5.00 0.62 -3.23 -0.52 4.81 -1.95 -3.32 114.58 116.00 1iqc h GLU 14 Ca -0.46 -0.04 -0.59 0.00 -0.13 0.00 0.00 59.36 58.14 1iqc h GLU 14 Cb 1.29 -0.14 -0.40 0.00 0.63 0.00 0.00 28.75 30.14 1iqc h GLU 14 CO 0.82 0.42 -0.76 1.21 -0.73 0.00 0.00 179.01 179.97 1iqc s ASN 15 N -6.63 3.77 0.19 1.04 3.84 -1.26 -5.02 114.94 110.88 1iqc s ASN 15 Ca -0.09 -2.08 -0.12 0.00 0.21 0.00 0.00 52.86 50.78 1iqc s ASN 15 Cb 0.17 -0.88 0.21 0.00 -0.55 0.00 0.00 41.25 40.20 1iqc s ASN 15 CO 0.74 -0.35 1.71 0.00 -2.79 0.00 0.00 177.10 176.42 1iqc h ALA 16 N 7.45 0.57 -0.60 1.71 0.00 -1.97 -1.03 119.26 125.39 1iqc h ALA 16 Ca -0.07 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1iqc h ALA 16 Cb 0.98 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1iqc h ALA 16 CO 0.45 -0.32 0.28 -0.44 0.00 0.00 0.00 179.25 179.23 1iqc h ASP 17 N 0.23 0.76 -0.59 0.00 3.45 -1.95 -0.90 116.42 117.42 1iqc h ASP 17 Ca 0.26 -0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.54 1iqc h ASP 17 Cb 0.36 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 1iqc h ASP 17 CO -0.35 0.66 -0.03 -0.03 -1.57 0.00 0.00 179.24 177.92 1iqc h MET 18 N 0.84 1.07 -0.06 3.56 4.05 -1.68 -1.29 114.93 121.42 1iqc h MET 18 Ca 0.21 -0.36 -0.10 0.00 -0.28 0.00 0.00 59.70 59.17 1iqc h MET 18 Cb 0.10 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1iqc h MET 18 CO -0.03 1.06 -0.41 0.00 0.23 0.00 0.00 176.91 177.77 1iqc h ALA 19 N 0.98 1.20 -0.27 0.39 0.00 -0.69 -0.62 119.26 120.24 1iqc h ALA 19 Ca 0.16 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1iqc h ALA 19 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1iqc h ALA 19 CO 0.04 0.56 -0.42 1.49 0.00 0.00 0.00 179.25 180.92 1iqc h GLU 20 N 0.12 0.67 -0.41 0.00 4.57 -0.79 -0.76 114.58 117.98 1iqc h GLU 20 Ca 0.01 -0.36 -0.15 0.00 -1.18 0.00 0.00 59.36 57.69 1iqc h GLU 20 Cb 0.78 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1iqc h GLU 20 CO 0.06 0.97 -0.32 1.25 -1.18 0.00 0.00 179.01 179.78 1iqc h LEU 21 N 0.54 0.97 -0.92 1.64 5.85 -0.85 -2.54 115.31 120.00 1iqc h LEU 21 Ca 0.04 -0.41 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 1iqc h LEU 21 Cb 0.96 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1iqc h LEU 21 CO 0.09 1.20 0.07 1.23 -0.34 0.00 0.00 178.44 180.69 1iqc h GLY 22 N 0.84 0.93 0.97 3.75 0.00 -0.90 -2.02 103.07 106.65 1iqc h GLY 22 Ca 0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1iqc h GLY 22 CO 0.08 0.54 0.23 1.70 0.00 0.00 0.00 176.54 179.09 1iqc h LYS 23 N 0.82 0.57 -0.51 4.80 3.64 -0.97 -0.07 116.57 124.85 1iqc h LYS 23 Ca 0.17 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1iqc h LYS 23 Cb 0.39 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1iqc h LYS 23 CO 0.01 0.46 0.24 0.52 -2.27 0.00 0.00 179.45 178.41 1iqc h MET 24 N 0.53 0.73 -0.69 1.90 2.86 -1.12 -2.65 114.93 116.49 1iqc h MET 24 Ca 0.14 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1iqc h MET 24 Cb 0.05 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1iqc h MET 24 CO -0.02 0.62 0.14 -0.07 1.06 0.00 0.00 176.91 178.63 1iqc h LEU 25 N 0.67 1.06 -1.61 1.22 3.38 -1.14 -2.06 115.31 116.83 1iqc h LEU 25 Ca 0.17 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1iqc h LEU 25 Cb 0.13 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1iqc h LEU 25 CO -0.02 1.03 0.37 0.15 0.09 0.00 0.00 178.44 180.06 1iqc h PHE 26 N 1.05 0.47 -0.24 1.13 3.57 -0.78 -1.76 116.94 120.39 1iqc h PHE 26 Ca 0.21 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1iqc h PHE 26 Cb 0.40 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1iqc h PHE 26 CO 0.03 0.25 0.00 1.19 -2.23 0.00 0.00 178.31 177.55 1iqc n PHE 27 N -4.47 0.29 -3.07 0.41 3.01 -0.98 -1.85 117.46 110.80 1iqc n PHE 27 Ca 0.08 -0.15 -0.43 0.00 1.01 0.00 0.00 57.45 57.97 1iqc n PHE 27 Cb 0.28 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.69 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 -1.66 6.38 0.00 4.37 -1.08 -0.66 -4.89 116.67 119.14 1iqc s ASP 28 Ca 0.35 -0.11 0.20 0.00 -0.52 0.00 0.00 52.55 52.47 1iqc s ASP 28 Cb 0.21 -2.34 1.00 0.00 -1.46 0.00 0.00 42.92 40.33 1iqc s ASP 28 CO 0.30 -0.76 1.63 -0.81 0.52 0.00 0.00 175.17 176.05 1iqc n PRO 29 N 6.33 0.27 0.00 4.34 -0.04 -1.26 -2.82 135.00 141.81 1iqc n PRO 29 Ca -0.00 0.10 0.14 0.00 -0.04 0.00 0.00 63.50 63.69 1iqc n PRO 29 Cb 0.48 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 33.18 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 -1.30 0.57 0.15 0.54 1.74 -1.26 -2.06 116.66 115.04 1iqc n ARG 30 Ca 0.09 0.02 0.13 0.00 -0.77 0.00 0.00 57.85 57.32 1iqc n ARG 30 Cb 0.16 -1.50 0.43 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.00-10.15 0.55 3.38 -1.77 -3.44 115.31 103.87 1iqc h LEU 31 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1iqc h LEU 31 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1iqc h LEU 31 CO 0.00 0.00 -0.27 -0.94 0.09 0.00 0.00 178.44 177.32 1iqc s SER 32 N -4.86 6.35 0.27 -0.43 1.04 -0.88 -4.65 113.70 110.54 1iqc s SER 32 Ca 0.07 0.40 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 1iqc s SER 32 Cb 0.10 -2.01 0.35 0.00 0.10 0.00 0.00 66.02 64.56 1iqc s SER 32 CO 0.54 -0.16 1.80 0.50 0.98 0.00 0.00 173.24 176.90 1iqc h LYS 33 N 1.35 0.88 0.00 4.02 3.64 -1.48 -2.76 116.57 122.22 1iqc h LYS 33 Ca -0.49 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 58.65 1iqc h LYS 33 Cb 1.21 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1iqc h LYS 33 CO 0.64 0.79 -0.22 0.66 -2.27 0.00 0.00 179.45 179.05 1iqc h SER 34 N 0.84 0.00 -0.08 4.20 4.64 -1.78 0.18 113.55 121.55 1iqc h SER 34 Ca 0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1iqc h SER 34 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1iqc h SER 34 CO 0.00 0.22 -0.03 0.61 -0.87 0.00 0.00 176.83 176.76 1iqc n GLY 35 N 0.61 0.52 0.00 -0.77 0.00 -1.04 -3.74 105.19 100.77 1iqc n GLY 35 Ca 0.01 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.83 0.00 -4.27 1.61 7.35 -1.22 -4.46 117.46 113.64 1iqc n PHE 36 Ca -0.02 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.33 1iqc n PHE 36 Cb 0.12 -0.05 -0.14 0.00 0.35 0.00 0.00 39.48 39.76 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 -1.91 3.29 0.48 -2.13 1.01 -1.25 -4.92 121.20 115.77 1iqc s ILE 37 Ca -0.00 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1iqc s ILE 37 Cb 0.02 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1iqc s ILE 37 CO 0.14 0.47 0.10 -0.94 0.00 0.00 0.00 174.94 174.70 1iqc s SER 38 N 0.94 4.20 0.30 3.58 1.04 -1.26 -3.92 113.70 118.58 1iqc s SER 38 Ca -0.01 -1.43 -0.01 0.00 0.48 0.00 0.00 55.95 54.98 1iqc s SER 38 Cb -0.15 0.12 0.46 0.00 0.10 0.00 0.00 66.02 66.55 1iqc s SER 38 CO 0.00 -0.75 1.95 0.00 0.98 0.00 0.00 173.24 175.43 1iqc h ASN 40 N 1.11 0.00 -0.71 0.00 -0.73 -1.68 -0.80 115.58 112.77 1iqc h ASN 40 Ca 0.33 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.50 1iqc h ASN 40 Cb -0.05 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.51 1iqc h ASN 40 CO -0.09 0.06 0.45 0.28 -0.37 0.00 0.00 177.43 177.76 1iqc h SER 41 N 0.00 0.82 0.00 1.15 0.02 -1.55 -2.40 113.55 111.60 1iqc h SER 41 Ca -0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1iqc h SER 41 Cb 0.24 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1iqc h SER 41 CO 0.01 0.61 -1.22 0.00 -1.14 0.00 0.00 176.83 175.10 1iqc n HIS 43 N -1.67 1.58 -1.98 0.00 8.25 -0.33 -1.49 115.22 119.58 1iqc n HIS 43 Ca 0.02 -3.85 -0.41 0.00 -0.26 0.00 0.00 57.72 53.22 1iqc n HIS 43 Cb 0.38 -0.45 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.00 5.57 0.00 0.41 3.84 -0.74 -4.34 114.94 117.67 1iqc s ASN 44 Ca 0.39 0.94 0.15 0.00 0.21 0.00 0.00 52.86 54.55 1iqc s ASN 44 Cb 0.19 -2.53 0.79 0.00 -0.55 0.00 0.00 41.25 39.15 1iqc s ASN 44 CO -0.07 -2.03 1.41 0.18 -2.79 0.00 0.00 177.10 173.80 1iqc n LEU 45 N 11.56 0.00 0.03 3.21 4.77 -1.26 -0.74 117.00 134.57 1iqc n LEU 45 Ca 0.23 0.24 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 1iqc n LEU 45 Cb 0.49 -0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.45 1iqc n LEU 45 CO 0.70 -0.12 0.19 -1.20 -1.33 0.00 0.00 177.39 175.62 1iqc n SER 46 N -1.24 0.63 -0.03 -1.43 7.64 -1.26 -4.35 113.62 113.58 1iqc n SER 46 Ca 0.08 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1iqc n SER 46 Cb 0.11 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 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 -1.88 -0.57 0.00 1.43 2.81 -0.14 -5.00 117.12 113.77 1iqc n MET 47 Ca 0.03 -0.62 0.00 0.00 -1.81 0.00 0.00 57.70 55.30 1iqc n MET 47 Cb 0.41 -1.01 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 -0.00 1.39 1.70 3.03 0.00 -0.89 -4.72 105.19 105.70 1iqc n GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.36 0.53 1.88 -0.02 0.00 0.08 -4.67 105.19 102.63 1iqc n GLY 49 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.85 0.00 0.78 2.61 -2.24 -1.26 -2.84 114.28 108.48 1iqc n THR 50 Ca 0.00 -1.39 0.09 0.00 -2.27 0.00 0.00 64.05 60.48 1iqc n THR 50 Cb 0.00 0.63 0.08 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.07 2.58 -3.69 3.42 5.68 -0.56 -1.80 116.55 120.11 1iqc n ASP 51 Ca 0.02 -1.79 -0.28 0.00 -0.50 0.00 0.00 54.79 52.24 1iqc n ASP 51 Cb 0.35 -0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.34 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 1.06 -4.44 -4.27 -1.12 3.02 -1.26 -4.98 115.26 103.27 1iqc n ASN 52 Ca 0.11 -0.63 -0.15 0.00 -0.03 0.00 0.00 54.58 53.88 1iqc n ASN 52 Cb 0.47 -3.59 -0.10 0.00 -0.61 0.00 0.00 39.78 35.95 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 -3.16 0.67 0.14 2.41 -4.36 -1.26 -4.55 121.20 111.08 1iqc s ILE 53 Ca 0.56 -1.99 -0.22 0.00 -0.26 0.00 0.00 60.65 58.74 1iqc s ILE 53 Cb -0.29 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.12 1iqc s ILE 53 CO 0.69 -0.30 1.65 0.71 0.24 0.00 0.00 174.94 177.93 1iqc h THR 54 N 2.57 0.51 -3.93 8.37 1.35 -1.90 -3.42 112.91 116.46 1iqc h THR 54 Ca -0.37 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.37 1iqc h THR 54 Cb 1.22 0.51 -0.16 0.00 -1.73 0.00 0.00 68.15 67.99 1iqc h THR 54 CO 0.62 0.00 -0.55 0.42 -0.25 0.00 0.00 175.52 175.76 1iqc s THR 55 N -6.13 0.16 0.39 6.82 -4.23 -1.26 -3.55 115.64 107.84 1iqc s THR 55 Ca -0.14 -1.30 -0.26 0.00 -1.18 0.00 0.00 61.69 58.81 1iqc s THR 55 Cb 0.11 -1.11 -0.09 0.00 1.34 0.00 0.00 72.50 72.76 1iqc s THR 55 CO 0.68 -0.72 1.18 -0.44 -0.54 0.00 0.00 174.62 174.79 1iqc s SER 56 N -2.44 6.54 -0.21 3.99 0.01 -1.25 -4.56 113.70 115.79 1iqc s SER 56 Ca -0.00 2.39 -0.24 0.00 1.31 0.00 0.00 55.95 59.41 1iqc s SER 56 Cb 0.02 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 1iqc s SER 56 CO -0.07 -0.67 0.77 -0.63 0.41 0.00 0.00 173.24 173.05 1iqc s ILE 57 N -1.38 4.90 0.00 1.44 1.01 -1.26 0.25 121.20 126.17 1iqc s ILE 57 Ca 0.56 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.68 1iqc s ILE 57 Cb -0.32 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.08 1iqc s ILE 57 CO 0.40 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1iqc n GLY 58 N 3.71 4.06 3.53 6.18 0.00 -0.43 -4.89 105.19 117.35 1iqc n GLY 58 Ca 0.03 -2.15 -0.51 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.24 0.82 -2.27 1.61 -0.00 0.01 -0.53 115.22 114.62 1iqc n HIS 59 Ca 0.00 0.81 -0.19 0.00 0.46 0.00 0.00 57.72 58.81 1iqc n HIS 59 Cb 0.00 -2.18 -0.02 0.00 -0.12 0.00 0.00 29.99 27.67 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 1.52 -1.76 -3.36 1.57 5.02 -1.26 -2.49 118.16 117.41 1iqc n LYS 60 Ca 0.16 0.94 -0.22 0.00 -2.02 0.00 0.00 58.31 57.17 1iqc n LYS 60 Cb 0.21 -5.54 0.06 0.00 -0.02 0.00 0.00 35.03 29.75 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 -3.58 -2.45 -2.25 2.13 -0.00 0.32 -4.97 117.44 106.64 1iqc n TRP 61 Ca -0.22 0.81 -0.41 0.00 -0.00 0.00 0.00 57.50 57.69 1iqc n TRP 61 Cb 0.66 -4.65 -0.03 0.00 -0.00 0.00 0.00 31.31 27.29 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 -6.05 4.43 -0.35 5.87 -0.21 -1.04 -4.74 119.66 117.57 1iqc s GLN 62 Ca 0.47 2.04 -0.27 0.00 0.02 0.00 0.00 55.36 57.62 1iqc s GLN 62 Cb -0.21 -3.17 0.02 0.00 1.00 0.00 0.00 33.01 30.65 1iqc s GLN 62 CO 0.58 -0.15 0.98 -1.14 -2.12 0.00 0.00 175.29 173.44 1iqc s GLN 63 N -0.73 3.92 0.94 2.91 0.74 -1.26 -1.32 119.66 124.87 1iqc s GLN 63 Ca 0.53 0.75 -0.11 0.00 0.05 0.00 0.00 55.36 56.58 1iqc s GLN 63 Cb -0.36 -3.78 0.16 0.00 1.10 0.00 0.00 33.01 30.13 1iqc s GLN 63 CO 0.42 -0.94 1.11 0.20 -0.55 0.00 0.00 175.29 175.54 1iqc s GLY 64 N 1.82 1.66 0.21 2.59 0.00 0.14 -4.97 107.32 108.76 1iqc s GLY 64 Ca 0.41 0.38 0.24 0.00 0.00 0.00 0.00 44.72 45.75 1iqc s GLY 64 CO 0.18 0.85 1.46 -0.56 0.00 0.00 0.00 173.10 175.03 1iqc h PRO 65 N -1.91 0.00 -3.49 2.90 0.13 -1.95 -3.43 132.00 124.25 1iqc h PRO 65 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1iqc h PRO 65 Cb 1.28 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1iqc h PRO 65 CO 0.45 0.00 -0.17 -1.50 -0.23 0.00 0.00 178.00 176.56 1iqc s ILE 66 N -3.18 0.09 0.22 -3.56 2.07 -1.26 -4.89 121.20 110.68 1iqc s ILE 66 Ca 0.07 -0.74 -0.30 0.00 -1.41 0.00 0.00 60.65 58.26 1iqc s ILE 66 Cb 0.11 -1.19 -0.09 0.00 0.13 0.00 0.00 42.46 41.41 1iqc s ILE 66 CO 0.69 -0.41 1.38 0.21 -1.91 0.00 0.00 174.94 174.90 1iqc s ASN 67 N -2.75 6.77 -0.14 4.50 3.84 0.11 -3.75 114.94 123.52 1iqc s ASN 67 Ca 0.03 2.53 -0.29 0.00 0.21 0.00 0.00 52.86 55.33 1iqc s ASN 67 Cb 0.02 -2.61 -0.01 0.00 -0.55 0.00 0.00 41.25 38.10 1iqc s ASN 67 CO -0.11 -0.63 1.15 0.00 -2.79 0.00 0.00 177.10 174.72 1iqc s ALA 68 N 0.15 3.58 0.75 1.71 0.00 -1.26 -4.96 121.76 121.72 1iqc s ALA 68 Ca 0.59 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 1iqc s ALA 68 Cb -0.39 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.22 1iqc s ALA 68 CO 0.40 -0.93 1.09 -1.25 0.00 0.00 0.00 175.76 175.06 1iqc s PRO 69 N 2.82 2.52 0.29 0.00 0.04 -1.26 -4.65 135.00 134.76 1iqc s PRO 69 Ca 0.51 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 1iqc s PRO 69 Cb -0.20 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1iqc s PRO 69 CO 0.15 -1.31 0.86 -0.08 0.04 0.00 0.00 177.00 176.66 1iqc s THR 70 N -3.21 4.37 -0.67 1.26 -1.32 -1.26 -4.67 115.64 110.15 1iqc s THR 70 Ca 0.59 1.57 0.25 0.00 -1.21 0.00 0.00 61.69 62.90 1iqc s THR 70 Cb -0.13 -3.91 0.20 0.00 -1.51 0.00 0.00 72.50 67.14 1iqc s THR 70 CO 0.53 0.13 1.58 -0.37 -2.21 0.00 0.00 174.62 174.28 1iqc h VAL 71 N 2.59 0.00 -2.59 5.08 -1.51 -1.80 -3.41 116.25 114.60 1iqc h VAL 71 Ca -0.47 -0.53 -0.53 0.00 -1.23 0.00 0.00 66.70 63.94 1iqc h VAL 71 Cb 1.19 1.36 0.03 0.00 -2.13 0.00 0.00 31.29 31.74 1iqc h VAL 71 CO 0.65 0.00 1.07 -0.76 -1.23 0.00 0.00 177.57 177.30 1iqc s LEU 72 N -4.54 4.38 -0.12 4.19 1.43 -1.26 -1.78 118.68 120.97 1iqc s LEU 72 Ca 0.09 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 1iqc s LEU 72 Cb 0.12 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1iqc s LEU 72 CO 0.65 -0.95 0.00 0.59 0.23 0.00 0.00 176.35 176.87 1iqc n ASN 73 N 5.85 -4.96 0.31 2.29 3.02 0.23 -4.86 115.26 117.14 1iqc n ASN 73 Ca 0.17 0.03 0.21 0.00 -0.03 0.00 0.00 54.58 54.95 1iqc n ASN 73 Cb 0.40 -2.55 1.06 0.00 -0.61 0.00 0.00 39.78 38.07 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 0.34 6.41 4.64 -1.59 -0.63 113.55 122.72 1iqc h SER 74 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1iqc h SER 74 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1iqc h SER 74 CO 0.03 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.76 1iqc h SER 75 N 0.00 0.00 0.07 4.97 4.64 -1.81 -1.67 113.55 119.75 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 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1iqc h SER 75 CO 0.00 0.00 -0.11 0.23 -0.87 0.00 0.00 176.83 176.08 1iqc n MET 76 N -2.50 1.42 -2.27 4.77 2.81 -0.24 -4.94 117.12 116.17 1iqc n MET 76 Ca -0.00 -0.89 -0.39 0.00 -1.81 0.00 0.00 57.70 54.61 1iqc n MET 76 Cb 0.13 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.14 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 -2.19 6.63 0.51 7.83 0.01 -0.63 -4.70 114.94 122.40 1iqc s ASN 77 Ca 0.32 2.41 0.32 0.00 -0.71 0.00 0.00 52.86 55.20 1iqc s ASN 77 Cb 0.20 -2.62 1.32 0.00 0.41 0.00 0.00 41.25 40.56 1iqc s ASN 77 CO 0.41 -0.61 1.95 0.17 -1.51 0.00 0.00 177.10 177.51 1iqc h LEU 78 N 2.88 0.00 -7.64 0.60 -0.00 -1.46 -3.45 115.31 106.23 1iqc h LEU 78 Ca -0.49 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 57.57 1iqc h LEU 78 Cb 1.23 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.81 1iqc h LEU 78 CO 0.63 0.00 0.49 0.00 -0.00 0.00 0.00 178.44 179.57 1iqc s ALA 79 N -3.62 -1.67 0.11 0.17 0.00 -1.26 -4.94 121.76 110.55 1iqc s ALA 79 Ca 0.02 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.19 1iqc s ALA 79 Cb 0.09 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1iqc s ALA 79 CO 0.52 -1.04 -0.04 -0.65 0.00 0.00 0.00 175.76 174.56 1iqc s GLN 80 N -3.26 2.35 0.00 0.00 -1.52 0.89 -4.87 119.66 113.24 1iqc s GLN 80 Ca 0.12 -0.97 0.00 0.00 -1.95 0.00 0.00 55.36 52.56 1iqc s GLN 80 Cb -0.01 -2.41 0.00 0.00 -0.22 0.00 0.00 33.01 30.37 1iqc s GLN 80 CO 0.02 0.51 0.00 1.19 -0.25 0.00 0.00 175.29 176.76 1iqc n PHE 81 N 0.46 0.00 0.03 0.91 0.99 -1.26 -2.60 117.46 115.98 1iqc n PHE 81 Ca -0.12 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.49 1iqc n PHE 81 Cb 0.53 -0.17 0.63 0.00 -1.00 0.00 0.00 39.48 39.47 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 0.12 -0.42 1.38 4.06 -1.95 -0.00 115.95 119.13 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 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1iqc h TRP 82 CO 0.00 0.06 0.00 -0.40 -3.56 0.00 0.00 178.44 174.54 1iqc n ASP 83 N -4.44 3.47 -2.56 -3.49 5.68 -1.26 -1.37 116.55 112.59 1iqc n ASP 83 Ca 0.07 -1.98 -0.20 0.00 -0.50 0.00 0.00 54.79 52.19 1iqc n ASP 83 Cb 0.44 -0.27 -0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1iqc n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iqc n GLY 84 N 1.45 -0.50 0.14 6.12 0.00 -0.02 -4.59 105.19 107.79 1iqc n GLY 84 Ca 0.19 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.30 0.00 -5.28 1.61 0.11 -1.77 -3.42 114.38 105.33 1iqc h ARG 85 Ca -0.47 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 58.98 1iqc h ARG 85 Cb 1.34 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 32.22 1iqc h ARG 85 CO 0.54 0.00 -0.63 0.00 0.10 0.00 0.00 179.97 179.98 1iqc s ALA 86 N -3.33 3.13 0.32 0.08 0.00 -1.07 -5.00 121.76 115.89 1iqc s ALA 86 Ca 0.05 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.26 1iqc s ALA 86 Cb 0.10 -1.68 0.55 0.00 0.00 0.00 0.00 23.12 22.09 1iqc s ALA 86 CO 0.43 0.18 1.78 1.57 0.00 0.00 0.00 175.76 179.72 1iqc h LYS 87 N 6.75 0.30 -3.20 0.00 2.10 -1.87 0.25 116.57 120.90 1iqc h LYS 87 Ca -0.33 -0.11 -0.07 0.00 -2.00 0.00 0.00 60.65 58.15 1iqc h LYS 87 Cb 1.18 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 1iqc h LYS 87 CO 0.65 0.55 0.19 0.16 -2.00 0.00 0.00 179.45 179.01 1iqc s ASP 88 N -6.86 0.18 0.28 7.07 1.47 -1.26 -4.56 116.67 112.99 1iqc s ASP 88 Ca -0.05 -1.22 -0.02 0.00 1.18 0.00 0.00 52.55 52.44 1iqc s ASP 88 Cb 0.14 0.82 0.43 0.00 -0.34 0.00 0.00 42.92 43.98 1iqc s ASP 88 CO 0.76 -1.63 1.92 -0.07 0.68 0.00 0.00 175.17 176.83 1iqc h LEU 89 N 2.02 1.00 0.05 2.11 3.38 -1.92 -1.54 115.31 120.39 1iqc h LEU 89 Ca -0.32 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1iqc h LEU 89 Cb 1.25 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1iqc h LEU 89 CO 0.40 0.67 -0.02 0.50 0.09 0.00 0.00 178.44 180.09 1iqc h LYS 90 N 1.15 -0.06 -0.71 1.13 3.64 -1.93 -1.95 116.57 117.84 1iqc h LYS 90 Ca 0.38 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1iqc h LYS 90 Cb 0.05 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1iqc h LYS 90 CO -0.12 -0.01 0.36 1.49 -2.27 0.00 0.00 179.45 178.90 1iqc h GLU 91 N -0.09 1.00 -0.67 1.90 4.81 -1.85 -3.03 114.58 116.65 1iqc h GLU 91 Ca -0.01 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1iqc h GLU 91 Cb 0.08 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1iqc h GLU 91 CO 0.01 0.77 0.44 0.37 -0.73 0.00 0.00 179.01 179.87 1iqc h GLN 92 N 0.98 0.86 -0.42 1.92 -0.00 -1.11 -3.03 115.11 114.31 1iqc h GLN 92 Ca 0.25 -0.05 0.12 0.00 -0.00 0.00 0.00 58.65 58.96 1iqc h GLN 92 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 27.48 27.35 1iqc h GLN 92 CO -0.04 0.57 0.34 0.00 0.00 0.00 0.00 178.83 179.70 1iqc h ALA 93 N 1.25 2.27 0.00 3.38 0.00 -1.22 -1.14 119.26 123.80 1iqc h ALA 93 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1iqc h ALA 93 Cb -0.08 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1iqc h ALA 93 CO -0.07 -0.55 -0.09 0.00 0.00 0.00 0.00 179.25 178.54 1iqc h ALA 94 N 1.71 1.01 0.56 0.00 0.00 -1.64 -3.37 119.26 117.54 1iqc h ALA 94 Ca 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1iqc h ALA 94 Cb 0.87 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1iqc h ALA 94 CO -0.00 0.11 -0.27 0.78 0.00 0.00 0.00 179.25 179.87 1iqc h GLY 95 N 2.12 -0.79 0.54 0.00 0.00 -1.36 -3.28 103.07 100.30 1iqc h GLY 95 Ca -0.00 0.29 0.11 0.00 0.00 0.00 0.00 47.33 47.73 1iqc h GLY 95 CO 0.01 -0.29 0.64 -0.56 0.00 0.00 0.00 176.54 176.34 1iqc h PRO 96 N -0.89 1.01 -0.91 4.80 0.13 -1.74 -0.87 132.00 133.53 1iqc h PRO 96 Ca -0.08 -0.06 0.14 0.00 -0.87 0.00 0.00 66.00 65.13 1iqc h PRO 96 Cb 0.58 -0.23 -0.09 0.00 0.13 0.00 0.00 31.00 31.39 1iqc h PRO 96 CO 0.13 0.67 0.53 0.82 -0.23 0.00 0.00 178.00 179.92 1iqc h ILE 97 N 1.04 0.81 -0.39 -3.56 2.04 -1.72 -2.11 117.51 113.62 1iqc h ILE 97 Ca 0.48 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1iqc h ILE 97 Cb 0.41 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1iqc h ILE 97 CO -0.24 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.05 1iqc n ALA 98 N -2.38 2.34 -2.62 1.87 0.00 -0.96 -1.32 120.51 117.45 1iqc n ALA 98 Ca 0.18 -1.05 -0.43 0.00 0.00 0.00 0.00 53.44 52.14 1iqc n ALA 98 Cb 0.41 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.14 6.79 0.67 0.00 3.84 -0.37 -4.68 114.94 120.04 1iqc s ASN 99 Ca 0.32 0.78 0.42 0.00 0.21 0.00 0.00 52.86 54.59 1iqc s ASN 99 Cb 0.18 -2.54 2.30 0.00 -0.55 0.00 0.00 41.25 40.64 1iqc s ASN 99 CO 0.24 -1.01 2.30 1.55 -2.79 0.00 0.00 177.10 177.39 1iqc h PRO 100 N 8.55 0.00 0.00 0.43 0.13 -1.89 0.14 132.00 139.36 1iqc h PRO 100 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1iqc h PRO 100 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1iqc h PRO 100 CO 1.06 0.00 -0.41 1.63 -0.23 0.00 0.00 178.00 180.05 1iqc n LYS 101 N -3.08 0.00 0.00 0.86 5.02 -1.26 -4.50 118.16 115.20 1iqc n LYS 101 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1iqc n LYS 101 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.51 0.00 0.16 1.97 1.02 0.01 -4.02 120.64 118.27 1iqc n GLU 102 Ca 0.06 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.22 1iqc n GLU 102 Cb 0.34 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 32.00 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 -2.54 3.49 2.86 -1.38 0.08 114.93 117.44 1iqc h MET 103 Ca 0.00 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.22 1iqc h MET 103 Cb 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 1iqc h MET 103 CO 0.00 0.49 -0.50 0.00 1.06 0.00 0.00 176.91 177.96 1iqc n ALA 104 N -2.34 -0.55 -2.20 6.32 0.00 0.30 -1.50 120.51 120.53 1iqc n ALA 104 Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1iqc n ALA 104 Cb 0.57 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.85 0.26 -4.06 0.00 2.88 -0.43 -4.45 113.62 105.97 1iqc n SER 105 Ca -0.24 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.23 1iqc n SER 105 Cb 0.69 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.04 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 2.15 0.19 0.30 2.46 -4.23 -1.25 -4.19 115.64 111.06 1iqc s THR 106 Ca 0.00 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1iqc s THR 106 Cb 0.00 -1.24 0.20 0.00 1.34 0.00 0.00 72.50 72.80 1iqc s THR 106 CO 0.00 -0.88 1.90 0.45 -0.54 0.00 0.00 174.62 175.55 1iqc h HIS 107 N 3.46 0.88 -0.25 3.99 3.86 -1.94 -1.66 115.15 123.48 1iqc h HIS 107 Ca -0.34 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 58.83 1iqc h HIS 107 Cb 1.16 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1iqc h HIS 107 CO 0.55 0.66 0.11 0.93 0.86 0.00 0.00 177.93 181.04 1iqc h GLU 108 N 0.88 0.36 -0.27 2.45 3.07 -2.00 -2.07 114.58 117.00 1iqc h GLU 108 Ca 0.21 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1iqc h GLU 108 Cb 0.12 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1iqc h GLU 108 CO -0.03 0.39 0.02 0.82 -1.40 0.00 0.00 179.01 178.81 1iqc h ILE 109 N 0.26 1.25 -0.94 3.13 2.04 -1.92 -2.19 117.51 119.14 1iqc h ILE 109 Ca 0.08 -0.87 0.08 0.00 1.00 0.00 0.00 64.86 65.16 1iqc h ILE 109 Cb 0.15 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 1iqc h ILE 109 CO -0.01 0.28 0.59 0.00 0.00 0.00 0.00 178.15 179.00 1iqc h ALA 110 N 0.84 1.34 -0.44 1.87 0.00 -1.26 0.20 119.26 121.81 1iqc h ALA 110 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1iqc h ALA 110 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1iqc h ALA 110 CO 0.01 0.29 0.21 0.93 0.00 0.00 0.00 179.25 180.69 1iqc h GLU 111 N 1.01 0.64 -0.72 0.00 5.08 -1.17 -1.38 114.58 118.04 1iqc h GLU 111 Ca 0.43 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1iqc h GLU 111 Cb 0.29 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1iqc h GLU 111 CO -0.21 0.55 0.21 0.87 -1.00 0.00 0.00 179.01 179.44 1iqc h LYS 112 N 0.58 1.13 0.36 2.33 1.57 -0.62 -0.53 116.57 121.38 1iqc h LYS 112 Ca 0.15 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1iqc h LYS 112 Cb 0.13 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1iqc h LYS 112 CO -0.02 0.97 -0.17 0.28 -0.57 0.00 0.00 179.45 179.94 1iqc h VAL 113 N 1.07 0.66 -0.46 0.50 2.07 -0.36 -1.88 116.25 117.84 1iqc h VAL 113 Ca 0.23 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 1iqc h VAL 113 Cb 0.32 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1iqc h VAL 113 CO -0.00 0.01 0.14 0.58 0.02 0.00 0.00 177.57 178.32 1iqc h VAL 114 N -0.52 1.22 0.00 2.57 2.07 -1.19 -2.89 116.25 117.52 1iqc h VAL 114 Ca -0.05 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1iqc h VAL 114 Cb 0.39 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1iqc h VAL 114 CO 0.08 0.27 -0.01 0.00 0.02 0.00 0.00 177.57 177.93 1iqc h ALA 115 N 1.00 1.01 0.00 1.67 0.00 -1.06 -2.65 119.26 119.23 1iqc h ALA 115 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1iqc h ALA 115 Cb 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1iqc h ALA 115 CO -0.00 0.01 -0.02 0.66 0.00 0.00 0.00 179.25 179.90 1iqc h SER 116 N 0.00 0.00 -3.72 0.00 4.64 -1.11 -3.42 113.55 109.94 1iqc h SER 116 Ca -0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1iqc h SER 116 Cb 0.35 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.26 1iqc h SER 116 CO 0.00 0.02 -0.42 -0.04 -0.87 0.00 0.00 176.83 175.52 1iqc s MET 117 N -3.74 3.58 0.28 4.77 -1.94 -1.00 -4.81 119.30 116.44 1iqc s MET 117 Ca 0.00 -0.52 0.02 0.00 -1.71 0.00 0.00 55.69 53.48 1iqc s MET 117 Cb 0.10 -3.79 0.62 0.00 2.01 0.00 0.00 34.83 33.77 1iqc s MET 117 CO 0.53 -0.44 1.75 -1.35 -0.01 0.00 0.00 175.02 175.51 1iqc h PRO 118 N 8.46 0.60 -0.92 2.03 0.11 -1.87 -0.66 132.00 139.75 1iqc h PRO 118 Ca -0.31 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.80 1iqc h PRO 118 Cb 1.16 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1iqc h PRO 118 CO 0.64 0.40 0.60 1.96 -0.21 0.00 0.00 178.00 181.39 1iqc h GLN 119 N 0.62 1.11 -0.03 1.05 7.50 -1.94 0.92 115.11 124.35 1iqc h GLN 119 Ca 0.51 -0.07 -0.08 0.00 0.50 0.00 0.00 58.65 59.51 1iqc h GLN 119 Cb 0.79 -0.25 0.01 0.00 0.05 0.00 0.00 27.48 28.08 1iqc h GLN 119 CO -0.40 0.74 -0.30 1.88 -1.50 0.00 0.00 178.83 179.25 1iqc h TYR 120 N 1.15 0.36 -0.92 2.96 0.99 -1.46 -2.90 116.97 117.15 1iqc h TYR 120 Ca 0.37 -0.17 0.16 0.00 2.00 0.00 0.00 58.73 61.08 1iqc h TYR 120 Cb 0.03 -0.05 -0.10 0.00 1.00 0.00 0.00 36.73 37.62 1iqc h TYR 120 CO -0.00 0.94 0.52 0.00 -0.00 0.00 0.00 178.16 179.62 1iqc h ARG 121 N -0.33 0.71 -0.77 4.88 3.08 -0.71 -0.14 114.38 121.10 1iqc h ARG 121 Ca -0.03 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1iqc h ARG 121 Cb 1.00 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 1iqc h ARG 121 CO 0.06 0.47 0.31 1.49 -1.07 0.00 0.00 179.97 181.23 1iqc h GLU 122 N 0.73 1.15 -0.33 0.04 4.81 -0.83 -2.16 114.58 117.99 1iqc h GLU 122 Ca 0.51 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1iqc h GLU 122 Cb 0.70 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1iqc h GLU 122 CO -0.35 0.94 -0.16 0.00 -0.73 0.00 0.00 179.01 178.70 1iqc h ARG 123 N 1.12 0.69 -0.55 1.92 3.08 -0.88 -2.28 114.38 117.48 1iqc h ARG 123 Ca 0.26 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1iqc h ARG 123 Cb 0.21 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1iqc h ARG 123 CO -0.02 0.90 0.36 0.74 -1.07 0.00 0.00 179.97 180.88 1iqc h PHE 124 N 0.46 0.66 -0.31 3.04 -1.00 -0.97 -1.86 116.94 116.97 1iqc h PHE 124 Ca 0.07 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.78 1iqc h PHE 124 Cb 0.70 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1iqc h PHE 124 CO 0.06 0.41 -0.17 -0.22 -1.61 0.00 0.00 178.31 176.78 1iqc h LYS 125 N 0.71 0.66 0.00 1.51 3.64 -0.67 0.56 116.57 122.98 1iqc h LYS 125 Ca 0.21 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1iqc h LYS 125 Cb -0.03 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1iqc h LYS 125 CO -0.05 0.89 0.00 1.17 -2.27 0.00 0.00 179.45 179.19 1iqc n LYS 126 N -4.37 0.11 -0.11 1.90 4.81 -0.88 -0.69 118.16 118.94 1iqc n LYS 126 Ca -0.03 0.30 -0.23 0.00 -0.87 0.00 0.00 58.31 57.48 1iqc n LYS 126 Cb 0.39 -1.69 -0.08 0.00 0.02 0.00 0.00 35.03 33.68 1iqc n LYS 126 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1iqc n VAL 127 N -1.88 1.32 -0.79 3.15 0.31 -0.74 -4.68 118.33 115.02 1iqc n VAL 127 Ca 0.03 -0.25 0.08 0.00 -0.01 0.00 0.00 64.34 64.19 1iqc n VAL 127 Cb 0.23 -1.89 0.31 0.00 -0.91 0.00 0.00 33.84 31.59 1iqc n VAL 127 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1iqc n PHE 128 N -4.10 1.32 0.00 3.52 3.01 0.19 -4.96 117.46 116.44 1iqc n PHE 128 Ca -0.41 -0.73 0.00 0.00 1.01 0.00 0.00 57.45 57.31 1iqc n PHE 128 Cb 0.77 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 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 0.28 1.15 3.84 1.37 0.00 0.14 -4.90 105.19 107.07 1iqc n GLY 129 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1iqc n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iqc s SER 130 N 0.00 5.61 0.00 1.61 0.15 -1.25 -4.82 113.70 114.99 1iqc s SER 130 Ca 0.00 -0.21 0.24 0.00 0.70 0.00 0.00 55.95 56.68 1iqc s SER 130 Cb 0.00 -1.46 0.18 0.00 -1.71 0.00 0.00 66.02 63.03 1iqc s SER 130 CO 0.00 -0.04 1.22 -0.90 1.20 0.00 0.00 173.24 174.72 1iqc n ASP 131 N -1.16 2.24 -4.77 5.45 5.75 -1.26 -1.73 116.55 121.06 1iqc n ASP 131 Ca -0.08 -1.62 -0.38 0.00 -0.01 0.00 0.00 54.79 52.70 1iqc n ASP 131 Cb 0.58 0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 40.89 1iqc n ASP 131 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1iqc s GLU 132 N -2.30 4.30 -0.19 0.11 -1.05 -1.26 -4.67 118.70 113.64 1iqc s GLU 132 Ca 0.23 1.60 -0.05 0.00 -0.15 0.00 0.00 54.97 56.60 1iqc s GLU 132 Cb 0.19 -2.73 -0.03 0.00 -0.44 0.00 0.00 34.13 31.13 1iqc s GLU 132 CO 0.47 -0.04 -0.00 0.08 0.95 0.00 0.00 175.26 176.71 1iqc s VAL 133 N -1.51 4.05 0.10 1.83 1.01 -1.26 -4.94 120.40 119.67 1iqc s VAL 133 Ca 0.54 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1iqc s VAL 133 Cb -0.25 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1iqc s VAL 133 CO 0.31 0.45 -0.15 0.42 0.00 0.00 0.00 175.10 176.13 1iqc s THR 134 N 0.74 1.32 0.57 3.92 -4.23 -1.26 -4.90 115.64 111.80 1iqc s THR 134 Ca 0.00 -1.54 0.26 0.00 -1.18 0.00 0.00 61.69 59.23 1iqc s THR 134 Cb -0.14 -1.37 0.35 0.00 1.34 0.00 0.00 72.50 72.68 1iqc s THR 134 CO 0.02 -0.29 2.09 -0.29 -0.54 0.00 0.00 174.62 175.62 1iqc h ILE 135 N 3.89 0.60 -0.41 2.99 6.09 -1.98 0.08 117.51 128.78 1iqc h ILE 135 Ca -0.41 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.01 1iqc h ILE 135 Cb 1.19 0.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.31 1iqc h ILE 135 CO 0.45 0.00 -0.03 -0.78 -3.07 0.00 0.00 178.15 174.72 1iqc h ASP 136 N 0.00 0.72 0.41 2.19 3.58 -1.99 -1.13 116.42 120.20 1iqc h ASP 136 Ca 0.10 -0.32 -0.17 0.00 0.42 0.00 0.00 57.03 57.06 1iqc h ASP 136 Cb 0.51 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1iqc h ASP 136 CO -0.00 0.87 -0.72 0.03 -2.88 0.00 0.00 179.24 176.55 1iqc h ARG 137 N 0.56 0.26 -0.07 0.28 3.08 -1.46 -1.22 114.38 115.81 1iqc h ARG 137 Ca 0.11 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1iqc h ARG 137 Cb 0.52 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1iqc h ARG 137 CO 0.03 0.87 0.03 0.82 -1.07 0.00 0.00 179.97 180.64 1iqc h ILE 138 N 0.18 1.15 -0.16 2.04 2.04 -0.98 -0.73 117.51 121.05 1iqc h ILE 138 Ca -0.02 -0.46 -0.14 0.00 1.00 0.00 0.00 64.86 65.24 1iqc h ILE 138 Cb 1.28 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1iqc h ILE 138 CO 0.11 0.13 -0.49 0.71 0.00 0.00 0.00 178.15 178.62 1iqc h THR 139 N -0.06 1.33 -0.50 -0.27 1.35 -1.22 -1.36 112.91 112.17 1iqc h THR 139 Ca 0.02 -1.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.16 1iqc h THR 139 Cb 0.19 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 1iqc h THR 139 CO -0.00 0.52 0.27 0.74 -0.25 0.00 0.00 175.52 176.80 1iqc h THR 140 N 0.33 1.18 -0.37 6.82 2.02 -1.09 -0.21 112.91 121.59 1iqc h THR 140 Ca 0.02 -0.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1iqc h THR 140 Cb 0.98 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1iqc h THR 140 CO 0.08 0.20 -0.00 0.00 0.37 0.00 0.00 175.52 176.17 1iqc h ALA 141 N 1.11 0.50 -0.32 6.16 0.00 -0.93 -1.84 119.26 123.94 1iqc h ALA 141 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1iqc h ALA 141 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1iqc h ALA 141 CO -0.03 0.28 0.15 0.82 0.00 0.00 0.00 179.25 180.47 1iqc h ILE 142 N 0.48 1.16 -0.96 0.00 2.04 -1.09 -1.55 117.51 117.58 1iqc h ILE 142 Ca 0.11 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.59 1iqc h ILE 142 Cb 0.47 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 1iqc h ILE 142 CO 0.02 0.16 0.61 0.00 0.00 0.00 0.00 178.15 178.95 1iqc h ALA 143 N 1.01 1.35 -0.81 1.87 0.00 -0.95 0.56 119.26 122.29 1iqc h ALA 143 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1iqc h ALA 143 Cb 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1iqc h ALA 143 CO -0.01 0.37 0.41 0.37 0.00 0.00 0.00 179.25 180.39 1iqc h GLN 144 N 1.10 1.15 -0.40 0.00 5.75 -0.86 -1.33 115.11 120.52 1iqc h GLN 144 Ca 0.43 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.75 1iqc h GLN 144 Cb 0.21 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1iqc h GLN 144 CO -0.19 0.87 0.15 0.35 -2.65 0.00 0.00 178.83 177.36 1iqc h PHE 145 N 1.14 0.62 0.00 3.99 3.57 -0.16 -2.70 116.94 123.39 1iqc h PHE 145 Ca 0.28 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1iqc h PHE 145 Cb 0.08 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 1iqc h PHE 145 CO 0.01 0.56 -0.07 0.93 -2.23 0.00 0.00 178.31 177.51 1iqc h GLU 146 N 0.50 0.00 0.00 1.11 5.08 -0.34 -0.84 114.58 120.09 1iqc h GLU 146 Ca 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1iqc h GLU 146 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1iqc h GLU 146 CO -0.01 0.07 -0.12 0.93 -1.00 0.00 0.00 179.01 178.88 1iqc h GLU 147 N 0.00 0.00 -0.00 2.33 4.39 -0.92 -2.01 114.58 118.37 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 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1iqc h GLU 147 CO 0.01 0.12 -0.33 0.25 -1.16 0.00 0.00 179.01 177.90 1iqc n THR 148 N -3.48 0.00 -0.95 1.13 -2.24 -0.32 -4.32 114.28 104.09 1iqc n THR 148 Ca -0.01 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 1iqc n THR 148 Cb 0.27 0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.32 5.66 -4.93 3.22 4.77 -0.76 -4.86 117.00 118.79 1iqc n LEU 149 Ca 0.08 -3.17 -0.26 0.00 -0.03 0.00 0.00 56.01 52.62 1iqc n LEU 149 Cb 0.33 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 1iqc n LEU 149 CO 0.31 1.47 0.10 0.68 -1.33 0.00 0.00 177.39 178.62 1iqc s VAL 150 N -0.29 5.14 -0.65 4.08 -7.23 -1.26 -0.60 120.40 119.58 1iqc s VAL 150 Ca 0.44 -0.32 0.05 0.00 -1.81 0.00 0.00 61.98 60.34 1iqc s VAL 150 Cb 0.24 -3.77 0.19 0.00 0.56 0.00 0.00 36.38 33.60 1iqc s VAL 150 CO -0.04 -0.31 0.53 0.35 -0.31 0.00 0.00 175.10 175.32 1iqc n THR 151 N -1.03 1.40 -1.57 5.32 -2.24 -1.26 -4.89 114.28 110.01 1iqc n THR 151 Ca -0.04 -4.75 -0.29 0.00 -2.27 0.00 0.00 64.05 56.69 1iqc n THR 151 Cb 0.55 -2.10 0.14 0.00 -2.10 0.00 0.00 70.33 66.81 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 -1.50 1.07 0.00 -0.78 0.04 -1.26 -3.95 135.00 128.61 1iqc s PRO 152 Ca 0.29 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1iqc s PRO 152 Cb 0.01 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1iqc s PRO 152 CO -0.14 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.08 1iqc n GLY 153 N -2.34 0.74 3.71 0.56 0.00 -1.26 -0.80 105.19 105.81 1iqc n GLY 153 Ca 0.07 0.00 -0.33 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 -2.63 3.83 0.24 1.61 1.04 -1.26 -4.66 113.70 111.87 1iqc s SER 154 Ca 0.00 2.21 -0.06 0.00 0.48 0.00 0.00 55.95 58.58 1iqc s SER 154 Cb 0.00 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 63.87 1iqc s SER 154 CO 0.00 -2.50 1.86 0.11 0.98 0.00 0.00 173.24 173.70 1iqc h LYS 155 N -0.95 1.00 -0.75 4.02 1.57 -1.73 -1.56 116.57 118.17 1iqc h LYS 155 Ca -0.45 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1iqc h LYS 155 Cb 1.27 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 1iqc h LYS 155 CO 0.47 0.66 0.41 0.35 -0.57 0.00 0.00 179.45 180.78 1iqc h PHE 156 N 1.03 1.02 -0.53 -1.35 3.57 -1.62 -1.01 116.94 118.05 1iqc h PHE 156 Ca 0.37 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.76 1iqc h PHE 156 Cb 0.12 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1iqc h PHE 156 CO -0.03 0.71 -0.05 -0.44 -2.23 0.00 0.00 178.31 176.27 1iqc h ASP 157 N 1.05 0.93 -0.46 0.41 5.19 -1.57 -0.41 116.42 121.55 1iqc h ASP 157 Ca 0.27 -0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1iqc h ASP 157 Cb 0.02 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 1iqc h ASP 157 CO -0.04 1.01 0.20 0.11 -3.12 0.00 0.00 179.24 177.40 1iqc h LYS 158 N 0.86 0.74 -0.34 3.56 1.57 -0.55 -1.14 116.57 121.26 1iqc h LYS 158 Ca 0.15 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1iqc h LYS 158 Cb 0.57 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1iqc h LYS 158 CO 0.03 0.61 -0.11 2.35 -0.57 0.00 0.00 179.45 181.77 1iqc h TRP 159 N 0.73 0.76 0.00 -1.35 7.01 -0.53 -1.74 115.95 120.84 1iqc h TRP 159 Ca 0.18 -0.17 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 1iqc h TRP 159 Cb 0.16 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1iqc h TRP 159 CO 0.01 0.85 -0.15 -0.07 -2.79 0.00 0.00 178.44 176.29 1iqc h LEU 160 N 0.46 0.00 -1.73 0.65 3.38 -0.58 -2.64 115.31 114.85 1iqc h LEU 160 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1iqc h LEU 160 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1iqc h LEU 160 CO 0.04 0.15 0.00 -0.62 0.09 0.00 0.00 178.44 178.09 1iqc n GLU 161 N -3.93 2.18 0.00 1.13 1.02 -0.48 -4.92 120.64 115.64 1iqc n GLU 161 Ca -0.02 -1.62 0.00 0.00 -0.02 0.00 0.00 57.16 55.50 1iqc n GLU 161 Cb 0.24 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 1.10 2.08 3.54 0.62 0.00 -0.99 -5.05 105.19 106.49 1iqc n GLY 162 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.91 6.51 0.00 1.61 3.68 -0.68 -4.83 116.67 121.04 1iqc s ASP 163 Ca 0.00 -1.51 0.03 0.00 2.13 0.00 0.00 52.55 53.20 1iqc s ASP 163 Cb 0.00 -2.54 0.14 0.00 -1.45 0.00 0.00 42.92 39.07 1iqc s ASP 163 CO 0.00 -1.45 1.09 0.29 0.13 0.00 0.00 175.17 175.23 1iqc n LYS 164 N 8.52 0.00 0.00 4.34 4.01 -1.26 -1.40 118.16 132.37 1iqc n LYS 164 Ca 0.30 0.43 0.10 0.00 -0.51 0.00 0.00 58.31 58.63 1iqc n LYS 164 Cb 0.51 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.55 1iqc n LYS 164 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1iqc n ASN 165 N -1.48 2.19 0.26 4.39 5.03 -1.26 -4.36 115.26 120.02 1iqc n ASN 165 Ca 0.01 -1.59 0.08 0.00 0.87 0.00 0.00 54.58 53.95 1iqc n ASN 165 Cb 0.04 0.34 0.66 0.00 -1.02 0.00 0.00 39.78 39.80 1iqc n ASN 165 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1iqc h ALA 166 N 3.81 1.93 -3.97 5.41 0.00 -1.55 -3.41 119.26 121.48 1iqc h ALA 166 Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.21 1iqc h ALA 166 Cb 0.77 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.33 1iqc h ALA 166 CO 0.00 0.02 -0.79 -0.51 0.00 0.00 0.00 179.25 177.97 1iqc s LEU 167 N -8.90 2.69 0.00 0.00 1.43 -1.26 -4.82 118.68 107.82 1iqc s LEU 167 Ca -0.05 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1iqc s LEU 167 Cb 0.17 -1.56 0.10 0.00 0.03 0.00 0.00 46.19 44.93 1iqc s LEU 167 CO 0.66 0.28 0.68 -0.46 0.23 0.00 0.00 176.35 177.74 1iqc n ASN 168 N 1.77 0.83 0.01 2.29 0.23 -1.26 -4.84 115.26 114.28 1iqc n ASN 168 Ca -0.16 -1.72 -0.10 0.00 -0.53 0.00 0.00 54.58 52.07 1iqc n ASN 168 Cb 0.52 -0.45 -0.04 0.00 -2.08 0.00 0.00 39.78 37.73 1iqc n ASN 168 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1iqc h GLN 169 N 0.00 -0.08 -0.75 -3.83 4.15 -1.99 -1.60 115.11 111.01 1iqc h GLN 169 Ca -0.22 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.15 1iqc h GLN 169 Cb 0.80 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 1iqc h GLN 169 CO 0.23 -0.06 0.26 -0.44 -1.93 0.00 0.00 178.83 176.90 1iqc h ASP 170 N -0.09 1.07 -0.64 -0.69 3.45 -1.96 -1.82 116.42 115.74 1iqc h ASP 170 Ca 0.06 -0.19 -0.07 0.00 0.43 0.00 0.00 57.03 57.26 1iqc h ASP 170 Cb 0.18 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.64 1iqc h ASP 170 CO -0.14 0.98 0.14 -0.33 -1.57 0.00 0.00 179.24 178.31 1iqc h GLU 171 N 1.10 1.05 -0.33 3.56 5.08 -1.78 0.05 114.58 123.31 1iqc h GLU 171 Ca 0.25 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1iqc h GLU 171 Cb 0.27 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1iqc h GLU 171 CO -0.01 0.95 -0.09 1.25 -1.00 0.00 0.00 179.01 180.11 1iqc h LEU 172 N 0.97 0.66 -1.03 1.33 5.85 -1.14 -1.36 115.31 120.58 1iqc h LEU 172 Ca 0.20 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1iqc h LEU 172 Cb 0.39 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1iqc h LEU 172 CO 0.01 0.88 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.65 1iqc h GLU 173 N 0.43 0.68 -0.55 1.25 5.08 -1.22 -0.87 114.58 119.38 1iqc h GLU 173 Ca 0.08 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1iqc h GLU 173 Cb 0.60 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1iqc h GLU 173 CO 0.04 0.70 0.29 0.78 -1.00 0.00 0.00 179.01 179.82 1iqc h GLY 174 N 0.93 0.83 1.00 -3.84 0.00 -0.71 -0.07 103.07 101.21 1iqc h GLY 174 Ca 0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1iqc h GLY 174 CO 0.02 0.37 0.33 -1.82 0.00 0.00 0.00 176.54 175.43 1iqc h TYR 175 N 0.74 0.94 -0.48 5.60 -0.00 -0.67 -0.43 116.97 122.65 1iqc h TYR 175 Ca 0.19 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.73 58.85 1iqc h TYR 175 Cb 0.07 -0.29 -0.02 0.00 -0.00 0.00 0.00 36.73 36.48 1iqc h TYR 175 CO -0.01 0.69 0.15 -0.91 -0.00 0.00 0.00 178.16 178.09 1iqc h ASN 176 N 0.91 0.65 -0.46 -2.11 2.35 -0.62 0.50 115.58 116.79 1iqc h ASN 176 Ca 0.23 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 1iqc h ASN 176 Cb 0.10 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1iqc h ASN 176 CO -0.03 0.62 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.05 1iqc h LEU 177 N 0.70 1.01 -0.01 1.61 3.38 -0.56 0.14 115.31 121.58 1iqc h LEU 177 Ca 0.16 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1iqc h LEU 177 Cb 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1iqc h LEU 177 CO -0.01 1.20 0.01 0.15 0.09 0.00 0.00 178.44 179.88 1iqc h PHE 178 N 0.83 0.01 -0.27 1.13 3.57 -0.26 -1.27 116.94 120.67 1iqc h PHE 178 Ca 0.10 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.44 1iqc h PHE 178 Cb 0.83 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1iqc h PHE 178 CO 0.06 0.04 -0.47 0.87 -2.23 0.00 0.00 178.31 176.58 1iqc h LYS 179 N -0.02 0.71 0.00 1.11 1.57 -0.90 -2.88 116.57 116.16 1iqc h LYS 179 Ca 0.00 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1iqc h LYS 179 Cb 0.03 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1iqc h LYS 179 CO -0.00 1.02 -0.19 0.78 -0.57 0.00 0.00 179.45 180.49 1iqc h GLY 180 N 0.93 0.00 0.90 3.86 0.00 -0.65 -3.35 103.07 104.76 1iqc h GLY 180 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 1iqc h GLY 180 CO 0.10 0.00 -1.38 1.44 0.00 0.00 0.00 176.54 176.70 1iqc n SER 181 N -2.37 0.78 0.00 0.19 7.64 -0.49 -4.97 113.62 114.40 1iqc n SER 181 Ca 0.05 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1iqc n SER 181 Cb 0.45 0.36 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1iqc n SER 181 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqc n GLY 182 N 1.35 0.62 0.34 0.23 0.00 -1.24 -4.98 105.19 101.50 1iqc n GLY 182 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.46 0.00 -0.24 0.00 0.24 -1.25 -1.71 118.33 110.92 1iqc n VAL 184 Ca 0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.30 1iqc n VAL 184 Cb 0.11 -0.57 0.04 0.00 -1.47 0.00 0.00 33.84 31.95 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 1.00 0.00 7.34 4.15 -1.78 -3.36 115.11 122.45 1iqc h GLN 185 Ca 0.00 -0.19 -0.10 0.00 0.77 0.00 0.00 58.65 59.13 1iqc h GLN 185 Cb 0.00 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1iqc h GLN 185 CO 0.00 0.85 -1.45 0.00 -1.93 0.00 0.00 178.83 176.30 1iqc s HIS 187 N -2.27 3.65 0.15 0.00 3.76 -0.69 -4.19 115.29 115.69 1iqc s HIS 187 Ca -0.03 -2.61 0.02 0.00 -0.15 0.00 0.00 55.06 52.28 1iqc s HIS 187 Cb 0.03 -3.40 -0.01 0.00 1.11 0.00 0.00 32.58 30.32 1iqc s HIS 187 CO 0.30 -0.86 0.17 0.27 -0.85 0.00 0.00 174.74 173.77 1iqc n ASN 188 N 3.29 -0.45 -0.23 1.40 0.23 -1.26 -4.25 115.26 113.99 1iqc n ASN 188 Ca 0.13 -1.92 0.01 0.00 -0.53 0.00 0.00 54.58 52.27 1iqc n ASN 188 Cb 0.40 0.92 -0.00 0.00 -2.08 0.00 0.00 39.78 39.02 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 -0.27 -1.95 0.23 4.83 0.00 -0.12 -1.61 105.19 106.29 1iqc n GLY 189 Ca 0.02 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.75 1iqc n GLY 189 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iqc h PRO 190 N 0.00 0.00 -0.09 1.61 0.13 -1.87 -2.78 132.00 129.00 1iqc h PRO 190 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1iqc h PRO 190 Cb 0.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1iqc h PRO 190 CO 0.00 0.18 0.00 0.00 -0.23 0.00 0.00 178.00 177.95 1iqc n ALA 191 N -2.41 2.50 -3.85 -0.56 0.00 -1.26 -4.71 120.51 110.22 1iqc n ALA 191 Ca -0.02 -0.63 -0.25 0.00 0.00 0.00 0.00 53.44 52.54 1iqc n ALA 191 Cb 0.26 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.84 -3.85 0.00 0.00 0.31 -0.88 -2.69 118.33 112.05 1iqc n VAL 192 Ca 0.17 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1iqc n VAL 192 Cb 0.48 -3.19 0.00 0.00 -0.91 0.00 0.00 33.84 30.22 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 -1.84 0.78 3.23 2.92 0.00 -0.63 -2.21 105.19 107.44 1iqc n GLY 193 Ca -0.27 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.30 1.16 1.04 -0.02 0.00 0.23 -4.72 105.19 102.58 1iqc n GLY 194 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 3.28 -3.74 1.61 3.41 -1.26 -1.12 113.62 115.79 1iqc n SER 195 Ca 0.00 -1.94 -0.06 0.00 -0.26 0.00 0.00 58.87 56.61 1iqc n SER 195 Cb 0.00 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.36 -0.26 -0.16 4.04 1.04 -1.26 -4.87 113.70 110.88 1iqc s SER 196 Ca 0.35 -0.41 -0.07 0.00 0.48 0.00 0.00 55.95 56.30 1iqc s SER 196 Cb 0.20 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 1iqc s SER 196 CO 0.28 -1.05 0.07 -0.31 0.98 0.00 0.00 173.24 173.22 1iqc s TYR 197 N -3.54 3.31 0.05 5.02 1.51 -1.26 -1.33 117.35 121.11 1iqc s TYR 197 Ca 0.10 0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.35 1iqc s TYR 197 Cb -0.03 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1iqc s TYR 197 CO 0.02 0.30 -0.05 -0.65 -1.11 0.00 0.00 175.55 174.06 1iqc s GLN 198 N -0.00 0.57 0.17 -0.62 -1.52 0.20 -4.91 119.66 113.55 1iqc s GLN 198 Ca 0.07 -1.00 -0.30 0.00 -1.95 0.00 0.00 55.36 52.17 1iqc s GLN 198 Cb -0.12 -0.00 -0.08 0.00 -0.22 0.00 0.00 33.01 32.59 1iqc s GLN 198 CO 0.01 -0.04 1.25 0.21 -0.25 0.00 0.00 175.29 176.47 1iqc s LYS 199 N -2.83 4.43 -0.56 2.91 2.47 -1.26 -1.04 119.74 123.86 1iqc s LYS 199 Ca -0.01 1.94 -0.18 0.00 -1.56 0.00 0.00 55.97 56.17 1iqc s LYS 199 Cb -0.01 -3.24 0.10 0.00 -1.46 0.00 0.00 37.83 33.23 1iqc s LYS 199 CO -0.05 -0.20 0.61 1.41 0.16 0.00 0.00 175.35 177.29 1iqc s MET 200 N 0.08 3.03 0.00 4.03 -2.45 0.15 -4.37 119.30 119.78 1iqc s MET 200 Ca 0.56 -1.37 0.00 0.00 -1.25 0.00 0.00 55.69 53.63 1iqc s MET 200 Cb -0.34 -4.24 0.00 0.00 1.25 0.00 0.00 34.83 31.50 1iqc s MET 200 CO 0.36 -1.40 0.00 0.41 1.05 0.00 0.00 175.02 175.44 1iqc n GLY 201 N 5.25 0.66 0.12 2.11 0.00 -1.26 -4.28 105.19 107.79 1iqc n GLY 201 Ca -0.11 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 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 1.04 0.00 1.61 2.07 -1.22 -3.37 116.25 116.37 1iqc h VAL 202 Ca 0.00 -1.02 -0.27 0.00 0.82 0.00 0.00 66.70 66.24 1iqc h VAL 202 Cb 0.00 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1iqc h VAL 202 CO 0.00 0.23 -1.75 0.49 0.02 0.00 0.00 177.57 176.56 1iqc n PHE 203 N -4.94 0.81 -3.86 1.57 3.01 0.11 -4.96 117.46 109.19 1iqc n PHE 203 Ca -0.08 0.29 -0.11 0.00 1.01 0.00 0.00 57.45 58.56 1iqc n PHE 203 Cb 0.26 -1.11 -0.09 0.00 -0.01 0.00 0.00 39.48 38.53 1iqc n PHE 203 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1iqc s LYS 204 N -2.69 0.62 0.59 -1.08 1.02 -1.25 -5.06 119.74 111.89 1iqc s LYS 204 Ca -0.05 -0.57 -0.17 0.00 0.02 0.00 0.00 55.97 55.19 1iqc s LYS 204 Cb 0.08 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 1iqc s LYS 204 CO 0.82 -0.17 1.10 -1.25 -0.92 0.00 0.00 175.35 174.93 1iqc s PRO 205 N -2.22 3.20 -0.44 -1.68 0.04 -1.26 -4.24 135.00 128.40 1iqc s PRO 205 Ca -0.08 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 62.17 1iqc s PRO 205 Cb -0.03 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1iqc s PRO 205 CO -0.02 -0.94 0.66 -0.47 0.04 0.00 0.00 177.00 176.27 1iqc s TYR 206 N -2.15 3.06 0.12 0.56 6.14 -1.26 -4.96 117.35 118.86 1iqc s TYR 206 Ca 0.68 -0.02 -0.31 0.00 0.64 0.00 0.00 57.07 58.06 1iqc s TYR 206 Cb -0.20 -3.38 -0.07 0.00 0.42 0.00 0.00 41.96 38.72 1iqc s TYR 206 CO 0.34 -0.88 1.30 -1.21 0.64 0.00 0.00 175.55 175.74 1iqc s GLU 207 N 2.87 4.38 -0.18 4.97 2.02 -1.26 -5.00 118.70 126.50 1iqc s GLU 207 Ca 0.23 1.97 -0.29 0.00 0.02 0.00 0.00 54.97 56.90 1iqc s GLU 207 Cb -0.14 -3.27 0.13 0.00 0.10 0.00 0.00 34.13 30.95 1iqc s GLU 207 CO 0.19 -0.32 1.00 -0.08 0.02 0.00 0.00 175.26 176.07 1iqc s THR 208 N 0.82 0.00 -1.13 3.63 -1.32 -1.26 -5.01 115.64 111.37 1iqc s THR 208 Ca 0.60 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.35 1iqc s THR 208 Cb -0.34 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 69.80 1iqc s THR 208 CO 0.32 0.00 1.64 0.29 -2.21 0.00 0.00 174.62 174.66 1iqc n LYS 209 N 0.96 0.14 -2.20 7.08 5.02 -1.26 -4.84 118.16 123.05 1iqc n LYS 209 Ca -0.11 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.71 1iqc n LYS 209 Cb 0.58 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1iqc n LYS 209 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1iqc s ASN 210 N -2.90 6.85 0.00 4.39 2.47 -1.26 -4.92 114.94 119.56 1iqc s ASN 210 Ca 0.15 2.28 0.30 0.00 0.42 0.00 0.00 52.86 56.01 1iqc s ASN 210 Cb 0.18 -2.58 1.42 0.00 -1.45 0.00 0.00 41.25 38.82 1iqc s ASN 210 CO 0.61 -0.64 2.00 -0.81 -3.72 0.00 0.00 177.10 174.54 1iqc n PRO 211 N 4.05 0.35 -1.59 0.43 -0.04 -1.26 -4.94 135.00 132.00 1iqc n PRO 211 Ca 0.11 -0.02 -0.54 0.00 -0.04 0.00 0.00 63.50 63.02 1iqc n PRO 211 Cb 0.43 -1.50 -0.06 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 -1.31 -1.26 0.85 0.55 0.00 -1.26 -4.87 120.51 113.21 1iqc n ALA 212 Ca 0.13 0.52 0.09 0.00 0.00 0.00 0.00 53.44 54.17 1iqc n ALA 212 Cb 0.27 -2.05 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 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 2.65 3.80 -0.26 0.00 0.00 -1.26 -4.76 120.51 120.67 1iqc n ALA 213 Ca 0.19 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1iqc n ALA 213 Cb 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.34 1.05 0.36 0.00 0.00 -1.26 -0.48 105.19 106.21 1iqc n GLY 214 Ca 0.06 -0.75 0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 -0.15 1.61 2.47 -0.54 -1.44 114.38 116.33 1iqc h ARG 215 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 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 0.00 0.06 1.98 0.56 0.00 0.00 179.97 182.57 1iqc h MET 216 N 0.00 0.20 0.00 0.04 4.05 -1.58 0.29 114.93 117.93 1iqc h MET 216 Ca 0.14 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1iqc h MET 216 Cb 0.83 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1iqc h MET 216 CO -0.00 0.17 -0.01 -0.44 0.23 0.00 0.00 176.91 176.86 1iqc h ASP 217 N 0.20 0.00 0.00 1.39 3.45 -1.51 0.79 116.42 120.74 1iqc h ASP 217 Ca 0.05 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.17 1iqc h ASP 217 Cb 0.04 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.75 1iqc h ASP 217 CO -0.01 0.01 -2.28 0.52 -1.57 0.00 0.00 179.24 175.92 1iqc n VAL 218 N -3.15 1.28 -0.06 -1.35 0.31 0.56 -4.70 118.33 111.22 1iqc n VAL 218 Ca -0.02 -0.48 -0.05 0.00 -0.01 0.00 0.00 64.34 63.78 1iqc n VAL 218 Cb 0.16 -1.32 -0.15 0.00 -0.91 0.00 0.00 33.84 31.62 1iqc n VAL 218 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1iqc n THR 219 N -3.21 1.21 -0.47 2.52 -2.24 0.72 -4.97 114.28 107.84 1iqc n THR 219 Ca -0.40 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1iqc n THR 219 Cb 0.92 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.60 1.92 3.68 3.38 0.00 0.27 -4.98 105.19 111.06 1iqc n GLY 220 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.43 7.16 0.49 1.61 0.01 -1.26 -4.91 114.94 114.62 1iqc s ASN 221 Ca 0.00 1.54 0.23 0.00 -0.71 0.00 0.00 52.86 53.92 1iqc s ASN 221 Cb 0.00 -2.55 1.29 0.00 0.41 0.00 0.00 41.25 40.39 1iqc s ASN 221 CO 0.00 -0.54 1.95 -0.08 -1.51 0.00 0.00 177.10 176.92 1iqc h GLU 222 N 7.30 0.14 0.00 -0.60 4.22 -1.95 0.37 114.58 124.07 1iqc h GLU 222 Ca -0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.15 1iqc h GLU 222 Cb 1.12 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1iqc h GLU 222 CO 0.90 0.10 -0.02 0.00 -2.18 0.00 0.00 179.01 177.80 1iqc h ALA 223 N 1.68 1.27 -0.33 2.92 0.00 -2.02 -1.35 119.26 121.42 1iqc h ALA 223 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1iqc h ALA 223 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1iqc h ALA 223 CO -0.05 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 1iqc n ASP 224 N -3.50 2.49 -4.72 0.00 8.00 0.13 -4.88 116.55 114.07 1iqc n ASP 224 Ca -0.03 -1.89 -0.42 0.00 0.71 0.00 0.00 54.79 53.17 1iqc n ASP 224 Cb 0.12 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.56 4.28 -1.23 -1.24 3.52 -0.51 -2.07 118.95 120.14 1iqc s ARG 225 Ca 0.34 2.21 0.00 0.00 -0.13 0.00 0.00 55.73 58.15 1iqc s ARG 225 Cb 0.19 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1iqc s ARG 225 CO 0.27 -0.47 0.00 0.09 -0.81 0.00 0.00 175.30 174.38 1iqc n ASN 226 N 3.46 -4.34 -4.59 -2.12 5.03 0.37 -4.89 115.26 108.19 1iqc n ASN 226 Ca 0.11 0.24 -0.36 0.00 0.87 0.00 0.00 54.58 55.44 1iqc n ASN 226 Cb 0.41 -3.00 -0.11 0.00 -1.02 0.00 0.00 39.78 36.06 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 -2.47 4.81 0.21 2.41 1.01 -0.88 -0.67 120.40 124.81 1iqc s VAL 227 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1iqc s VAL 227 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1iqc s VAL 227 CO 0.00 0.39 -0.02 -0.36 0.00 0.00 0.00 175.10 175.11 1iqc s PHE 228 N 0.92 1.46 0.26 5.22 0.40 -0.20 -0.08 117.98 125.95 1iqc s PHE 228 Ca 0.05 -0.90 -0.30 0.00 -0.60 0.00 0.00 56.93 55.18 1iqc s PHE 228 Cb -0.14 -0.83 -0.10 0.00 0.51 0.00 0.00 43.02 42.47 1iqc s PHE 228 CO 0.03 -0.03 1.33 0.21 0.70 0.00 0.00 175.22 177.46 1iqc s LYS 229 N -3.84 4.36 -0.06 0.44 2.20 -0.47 -0.62 119.74 121.74 1iqc s LYS 229 Ca 0.26 2.16 -0.30 0.00 -0.36 0.00 0.00 55.97 57.72 1iqc s LYS 229 Cb 0.05 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 1iqc s LYS 229 CO 0.07 -0.25 1.32 0.08 -0.36 0.00 0.00 175.35 176.20 1iqc s VAL 230 N -0.38 4.03 0.63 4.02 1.01 -0.44 -4.87 120.40 124.40 1iqc s VAL 230 Ca 0.54 1.34 -0.17 0.00 0.00 0.00 0.00 61.98 63.69 1iqc s VAL 230 Cb -0.39 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1iqc s VAL 230 CO 0.44 -0.04 1.15 -2.84 0.00 0.00 0.00 175.10 173.81 1iqc s PRO 231 N 2.75 2.82 0.38 2.72 0.02 -1.26 0.75 135.00 143.18 1iqc s PRO 231 Ca 0.60 1.60 -0.25 0.00 0.02 0.00 0.00 61.00 62.96 1iqc s PRO 231 Cb -0.27 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.23 1iqc s PRO 231 CO 0.22 -1.27 1.11 -0.08 -0.33 0.00 0.00 177.00 176.65 1iqc s THR 232 N -2.00 3.44 -2.80 0.99 -1.32 -1.26 -3.96 115.64 108.73 1iqc s THR 232 Ca 0.72 1.20 0.23 0.00 -1.21 0.00 0.00 61.69 62.63 1iqc s THR 232 Cb -0.25 -3.67 0.25 0.00 -1.51 0.00 0.00 72.50 67.33 1iqc s THR 232 CO 0.37 0.10 1.29 0.18 -2.21 0.00 0.00 174.62 174.35 1iqc n LEU 233 N 0.19 3.11 -4.74 9.08 4.77 -0.94 -4.79 117.00 123.68 1iqc n LEU 233 Ca 0.04 -1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 54.46 1iqc n LEU 233 Cb 0.48 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1iqc n LEU 233 CO 0.49 0.57 1.07 -0.13 -1.33 0.00 0.00 177.39 178.06 1iqc s ARG 234 N -1.82 4.31 -1.96 3.23 1.81 -1.25 -2.09 118.95 121.17 1iqc s ARG 234 Ca 0.31 2.21 0.00 0.00 -1.72 0.00 0.00 55.73 56.52 1iqc s ARG 234 Cb 0.20 -3.15 0.00 0.00 -0.45 0.00 0.00 34.95 31.55 1iqc s ARG 234 CO 0.30 -0.38 0.00 0.09 -0.68 0.00 0.00 175.30 174.63 1iqc n ASN 235 N 2.69 -5.41 0.23 0.23 3.02 -0.86 -4.85 115.26 110.32 1iqc n ASN 235 Ca 0.07 0.35 0.14 0.00 -0.03 0.00 0.00 54.58 55.11 1iqc n ASN 235 Cb 0.41 -4.58 0.78 0.00 -0.61 0.00 0.00 39.78 35.78 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 0.69 0.00 2.41 6.09 -1.70 0.69 117.51 125.69 1iqc h ILE 236 Ca -0.42 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.07 1iqc h ILE 236 Cb 1.29 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 39.51 1iqc h ILE 236 CO 0.57 0.00 -0.04 -0.08 -3.07 0.00 0.00 178.15 175.54 1iqc h GLU 237 N 0.00 0.00 -0.02 2.19 4.81 -1.84 -2.84 114.58 116.87 1iqc h GLU 237 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1iqc h GLU 237 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1iqc h GLU 237 CO -0.00 0.04 -0.06 1.28 -0.73 0.00 0.00 179.01 179.53 1iqc n LEU 238 N -3.72 2.61 -0.75 1.64 4.77 0.23 -4.61 117.00 117.17 1iqc n LEU 238 Ca -0.03 -0.96 0.03 0.00 -0.03 0.00 0.00 56.01 55.02 1iqc n LEU 238 Cb 0.13 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.42 1iqc n LEU 238 CO 0.28 0.45 0.54 0.35 -1.33 0.00 0.00 177.39 177.67 1iqc n THR 239 N 0.99 2.30 -1.21 -5.08 -2.24 -1.07 -4.59 114.28 103.37 1iqc n THR 239 Ca 0.12 -2.83 -0.33 0.00 -2.27 0.00 0.00 64.05 58.73 1iqc n THR 239 Cb 0.51 -0.27 0.12 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.92 0.90 4.78 -0.85 -1.26 -4.60 117.35 115.07 1iqc s TYR 240 Ca 0.40 1.65 -0.13 0.00 -0.52 0.00 0.00 57.07 58.47 1iqc s TYR 240 Cb 0.37 -3.45 0.14 0.00 0.38 0.00 0.00 41.96 39.39 1iqc s TYR 240 CO -0.02 -2.71 1.17 -1.25 -1.52 0.00 0.00 175.55 171.22 1iqc s PRO 241 N -4.12 1.20 0.31 -3.49 0.04 -1.26 -4.16 135.00 123.52 1iqc s PRO 241 Ca 0.73 0.14 0.07 0.00 0.04 0.00 0.00 61.00 61.98 1iqc s PRO 241 Cb -0.28 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1iqc s PRO 241 CO 0.49 -2.13 0.28 0.71 0.04 0.00 0.00 177.00 176.39 1iqc s TYR 242 N -3.42 2.99 0.14 0.56 1.51 0.23 -4.80 117.35 114.56 1iqc s TYR 242 Ca 0.65 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.47 1iqc s TYR 242 Cb -0.12 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1iqc s TYR 242 CO 0.52 0.28 0.00 1.19 -1.11 0.00 0.00 175.55 176.43 1iqc n PHE 243 N -1.33 -0.88 0.32 2.71 0.99 -1.26 -2.34 117.46 115.67 1iqc n PHE 243 Ca -0.04 0.48 0.20 0.00 -0.00 0.00 0.00 57.45 58.10 1iqc n PHE 243 Cb 0.59 -0.80 1.11 0.00 -1.00 0.00 0.00 39.48 39.38 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 -0.32 0.00 -0.03 1.38 2.07 -1.95 -0.72 115.15 115.58 1iqc h HIS 244 Ca -0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 1iqc h HIS 244 Cb 0.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.29 1iqc h HIS 244 CO 0.01 0.00 -0.01 -0.40 -3.07 0.00 0.00 177.93 174.47 1iqc n ASP 245 N -3.31 2.96 -1.25 3.10 5.75 -1.26 -0.71 116.55 121.83 1iqc n ASP 245 Ca -0.03 -1.98 -0.15 0.00 -0.01 0.00 0.00 54.79 52.63 1iqc n ASP 245 Cb 0.09 0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1iqc n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iqc n GLY 246 N 1.33 1.09 0.22 6.12 0.00 -0.28 -4.80 105.19 108.87 1iqc n GLY 246 Ca 0.14 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -7.48 -0.02 0.00 -1.70 -3.41 103.07 90.46 1iqc h GLY 247 Ca -0.31 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.30 1iqc h GLY 247 CO 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 176.54 176.55 1iqc s ALA 248 N -3.58 3.48 0.14 3.60 0.00 -1.07 -4.95 121.76 119.37 1iqc s ALA 248 Ca 0.01 -1.76 0.15 0.00 0.00 0.00 0.00 51.96 50.36 1iqc s ALA 248 Cb 0.10 -2.90 0.41 0.00 0.00 0.00 0.00 23.12 20.73 1iqc s ALA 248 CO 0.65 -1.49 1.61 0.00 0.00 0.00 0.00 175.76 176.53 1iqc h ALA 249 N 8.63 0.87 -2.42 0.00 0.00 -1.88 0.67 119.26 125.14 1iqc h ALA 249 Ca -0.27 -0.48 -0.62 0.00 0.00 0.00 0.00 54.91 53.54 1iqc h ALA 249 Cb 1.12 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 1iqc h ALA 249 CO 0.74 0.66 -0.77 0.95 0.00 0.00 0.00 179.25 180.83 1iqc s THR 250 N -3.41 2.49 0.25 0.00 -4.23 -1.26 -4.71 115.64 104.77 1iqc s THR 250 Ca 0.00 -2.31 -0.01 0.00 -1.18 0.00 0.00 61.69 58.20 1iqc s THR 250 Cb 0.11 -2.28 0.06 0.00 1.34 0.00 0.00 72.50 71.73 1iqc s THR 250 CO 0.73 -0.34 1.69 -0.07 -0.54 0.00 0.00 174.62 176.10 1iqc h LEU 251 N 2.46 0.63 -0.24 4.79 3.38 -1.97 -2.09 115.31 122.26 1iqc h LEU 251 Ca -0.42 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.37 1iqc h LEU 251 Cb 1.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1iqc h LEU 251 CO 0.57 0.83 0.09 -0.33 0.09 0.00 0.00 178.44 179.70 1iqc h GLU 252 N 0.56 0.20 -0.58 1.13 3.07 -1.96 0.12 114.58 117.13 1iqc h GLU 252 Ca 0.08 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 1iqc h GLU 252 Cb 0.66 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 1iqc h GLU 252 CO 0.05 0.13 0.23 0.37 -1.40 0.00 0.00 179.01 178.39 1iqc h GLN 253 N 0.21 0.86 -0.37 2.33 4.15 -1.93 -1.26 115.11 119.10 1iqc h GLN 253 Ca 0.11 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1iqc h GLN 253 Cb 0.07 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1iqc h GLN 253 CO -0.10 0.74 0.20 0.00 -1.93 0.00 0.00 178.83 177.74 1iqc h ALA 254 N 1.08 0.47 -0.49 3.38 0.00 -0.95 -1.24 119.26 121.51 1iqc h ALA 254 Ca 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1iqc h ALA 254 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1iqc h ALA 254 CO -0.02 -0.01 0.20 0.28 0.00 0.00 0.00 179.25 179.71 1iqc h VAL 255 N 0.47 1.21 -0.32 0.00 2.07 -0.59 -1.13 116.25 117.96 1iqc h VAL 255 Ca 0.13 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1iqc h VAL 255 Cb 0.06 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1iqc h VAL 255 CO -0.02 0.24 0.18 -0.33 0.02 0.00 0.00 177.57 177.66 1iqc h GLU 256 N 0.65 0.44 -0.57 1.57 5.08 -1.07 -1.44 114.58 119.23 1iqc h GLU 256 Ca 0.16 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1iqc h GLU 256 Cb 0.19 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1iqc h GLU 256 CO -0.01 0.36 0.29 1.15 -1.00 0.00 0.00 179.01 179.79 1iqc h THR 257 N 0.40 1.20 -0.38 1.13 2.02 -1.11 -1.96 112.91 114.22 1iqc h THR 257 Ca 0.11 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1iqc h THR 257 Cb 0.04 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1iqc h THR 257 CO -0.02 0.23 0.21 0.24 0.37 0.00 0.00 175.52 176.55 1iqc h MET 258 N 0.78 0.52 -0.88 6.66 2.86 -1.00 -1.01 114.93 122.86 1iqc h MET 258 Ca 0.20 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1iqc h MET 258 Cb 0.09 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 1iqc h MET 258 CO -0.03 0.41 0.46 0.78 1.06 0.00 0.00 176.91 179.60 1iqc h GLY 259 N 0.48 1.33 0.56 8.32 0.00 -1.11 -0.84 103.07 111.81 1iqc h GLY 259 Ca 0.13 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1iqc h GLY 259 CO -0.02 0.59 -0.23 -0.09 0.00 0.00 0.00 176.54 176.79 1iqc h ARG 260 N 1.24 -0.62 0.00 4.80 2.43 -1.04 0.13 114.38 121.32 1iqc h ARG 260 Ca 0.31 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1iqc h ARG 260 Cb 0.06 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1iqc h ARG 260 CO -0.05 -0.35 -0.34 -0.84 -1.51 0.00 0.00 179.97 176.88 1iqc h ILE 261 N -1.10 0.00 0.00 1.20 3.07 -1.27 -2.39 117.51 117.02 1iqc h ILE 261 Ca -0.07 -0.64 -0.38 0.00 1.55 0.00 0.00 64.86 65.33 1iqc h ILE 261 Cb 0.56 1.43 -0.07 0.00 -0.27 0.00 0.00 36.82 38.47 1iqc h ILE 261 CO 0.11 0.00 -2.42 0.00 -1.05 0.00 0.00 178.15 174.78 1iqc n GLN 262 N -2.41 0.68 -0.00 0.16 1.13 -0.32 0.07 117.38 116.69 1iqc n GLN 262 Ca 0.04 0.07 0.03 0.00 -1.94 0.00 0.00 57.00 55.20 1iqc n GLN 262 Cb 0.47 -1.52 -0.04 0.00 0.11 0.00 0.00 30.24 29.27 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 -3.01 0.19 -2.67 1.08 4.77 -0.98 -4.71 117.00 111.68 1iqc n LEU 263 Ca -0.39 -0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 55.05 1iqc n LEU 263 Cb 1.07 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.21 1iqc n LEU 263 CO 0.34 0.05 0.15 -3.20 -1.33 0.00 0.00 177.39 173.40 1iqc n ASN 264 N -1.29 -5.15 -4.21 -1.43 5.15 -0.50 -4.99 115.26 102.85 1iqc n ASN 264 Ca 0.00 -0.36 -0.32 0.00 -0.60 0.00 0.00 54.58 53.30 1iqc n ASN 264 Cb 0.10 -3.78 -0.17 0.00 -0.53 0.00 0.00 39.78 35.41 1iqc n ASN 264 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1iqc s ARG 265 N -5.87 3.05 -0.50 1.20 6.06 0.34 -4.97 118.95 118.26 1iqc s ARG 265 Ca 0.40 -0.87 -0.13 0.00 -2.50 0.00 0.00 55.73 52.63 1iqc s ARG 265 Cb -0.17 -2.36 0.12 0.00 0.06 0.00 0.00 34.95 32.59 1iqc s ARG 265 CO 0.49 0.11 0.41 -2.00 -2.50 0.00 0.00 175.30 171.81 1iqc s GLU 266 N 0.51 2.76 0.20 5.12 2.12 -1.26 -2.49 118.70 125.66 1iqc s GLU 266 Ca -0.15 -1.68 -0.30 0.00 0.36 0.00 0.00 54.97 53.21 1iqc s GLU 266 Cb -0.17 -4.10 -0.08 0.00 0.26 0.00 0.00 34.13 30.04 1iqc s GLU 266 CO 0.05 -1.22 0.97 -0.06 -0.54 0.00 0.00 175.26 174.46 1iqc s PHE 267 N 1.50 3.88 0.72 5.30 0.40 -1.26 -5.05 117.98 123.46 1iqc s PHE 267 Ca 0.04 1.85 -0.10 0.00 -0.60 0.00 0.00 56.93 58.12 1iqc s PHE 267 Cb -0.27 -3.04 0.04 0.00 0.51 0.00 0.00 43.02 40.25 1iqc s PHE 267 CO 0.02 0.24 1.07 0.54 0.70 0.00 0.00 175.22 177.79 1iqc s ASN 268 N -0.73 5.08 0.36 1.36 2.20 -1.26 -4.82 114.94 117.14 1iqc s ASN 268 Ca 0.44 0.83 0.12 0.00 -0.94 0.00 0.00 52.86 53.31 1iqc s ASN 268 Cb -0.26 -1.55 0.90 0.00 -2.00 0.00 0.00 41.25 38.35 1iqc s ASN 268 CO 0.32 -1.50 1.83 0.50 -2.94 0.00 0.00 177.10 175.31 1iqc h LYS 269 N -0.68 0.58 -0.33 3.55 3.64 -2.00 -1.83 116.57 119.51 1iqc h LYS 269 Ca -0.45 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.80 1iqc h LYS 269 Cb 1.29 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1iqc h LYS 269 CO 0.63 0.38 -0.14 0.22 -2.27 0.00 0.00 179.45 178.28 1iqc h ASP 270 N 0.60 0.69 -0.51 4.20 1.82 -2.00 -2.10 116.42 119.12 1iqc h ASP 270 Ca 0.51 -0.40 -0.05 0.00 -0.39 0.00 0.00 57.03 56.70 1iqc h ASP 270 Cb 0.99 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.79 1iqc h ASP 270 CO -0.26 0.93 0.13 -0.33 -1.61 0.00 0.00 179.24 178.11 1iqc h GLU 271 N 0.45 0.82 -0.33 0.28 5.08 -1.73 -2.17 114.58 116.98 1iqc h GLU 271 Ca 0.08 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1iqc h GLU 271 Cb 0.66 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1iqc h GLU 271 CO 0.04 0.78 0.18 0.28 -1.00 0.00 0.00 179.01 179.29 1iqc h VAL 272 N 0.71 1.02 -0.41 3.13 2.07 -1.32 -1.06 116.25 120.38 1iqc h VAL 272 Ca 0.16 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1iqc h VAL 272 Cb 0.32 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1iqc h VAL 272 CO 0.00 0.07 0.21 0.77 0.02 0.00 0.00 177.57 178.64 1iqc h SER 273 N 0.38 0.50 -0.24 0.57 4.64 -1.16 0.27 113.55 118.51 1iqc h SER 273 Ca 0.13 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.25 1iqc h SER 273 Cb 0.02 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1iqc h SER 273 CO -0.07 0.41 -0.51 0.11 -0.87 0.00 0.00 176.83 175.90 1iqc h LYS 274 N 0.57 0.76 -0.59 4.77 1.57 -0.85 -0.99 116.57 121.82 1iqc h LYS 274 Ca 0.15 -0.50 -0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1iqc h LYS 274 Cb 0.04 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1iqc h LYS 274 CO -0.02 1.13 0.14 0.82 -0.57 0.00 0.00 179.45 180.94 1iqc h ILE 275 N 0.50 1.25 -0.56 1.86 2.04 -0.67 -1.64 117.51 120.29 1iqc h ILE 275 Ca 0.00 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1iqc h ILE 275 Cb 1.12 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1iqc h ILE 275 CO 0.11 0.34 0.37 0.58 0.00 0.00 0.00 178.15 179.55 1iqc h VAL 276 N 0.85 1.13 -0.89 1.67 2.07 -0.88 0.13 116.25 120.33 1iqc h VAL 276 Ca 0.18 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1iqc h VAL 276 Cb 0.36 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1iqc h VAL 276 CO 0.00 0.14 0.56 0.00 0.02 0.00 0.00 177.57 178.29 1iqc h ALA 277 N 1.21 1.21 -0.46 1.67 0.00 -0.83 -1.84 119.26 120.22 1iqc h ALA 277 Ca 0.21 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1iqc h ALA 277 Cb -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1iqc h ALA 277 CO -0.05 0.35 0.11 0.35 0.00 0.00 0.00 179.25 180.01 1iqc h PHE 278 N 1.05 0.77 -0.75 0.00 3.57 -0.33 -2.94 116.94 118.31 1iqc h PHE 278 Ca 0.38 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1iqc h PHE 278 Cb 0.13 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1iqc h PHE 278 CO -0.02 0.71 0.49 -0.07 -2.23 0.00 0.00 178.31 177.19 1iqc h LEU 279 N 0.62 0.75 -1.76 0.59 3.38 -0.22 -1.10 115.31 117.57 1iqc h LEU 279 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1iqc h LEU 279 Cb 0.32 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1iqc h LEU 279 CO 0.00 0.51 0.00 0.11 0.09 0.00 0.00 178.44 179.15 1iqc h LYS 280 N 0.87 0.00 -0.02 1.13 1.57 -1.20 -1.82 116.57 117.09 1iqc h LYS 280 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1iqc h LYS 280 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1iqc h LYS 280 CO -0.09 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.04 1iqc n THR 281 N -3.01 0.03 1.05 -0.16 -2.24 -0.42 -2.79 114.28 106.74 1iqc n THR 281 Ca -0.00 -0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.85 1iqc n THR 281 Cb 0.24 -0.18 0.31 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.62 2.37 -4.67 3.22 4.77 -0.69 -1.61 117.00 119.78 1iqc n LEU 282 Ca 0.14 -0.89 -0.43 0.00 -0.03 0.00 0.00 56.01 54.80 1iqc n LEU 282 Cb 0.10 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1iqc n LEU 282 CO 0.10 0.45 0.92 -0.89 -1.33 0.00 0.00 177.39 176.64 1iqc s THR 283 N -1.85 4.58 0.00 -5.08 2.01 -1.12 -2.03 115.64 112.16 1iqc s THR 283 Ca 0.34 1.89 0.00 0.00 0.31 0.00 0.00 61.69 64.23 1iqc s THR 283 Cb 0.20 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1iqc s THR 283 CO 0.30 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1iqc n GLY 284 N 3.32 2.52 3.69 4.40 0.00 -1.26 -4.18 105.19 113.68 1iqc n GLY 284 Ca 0.11 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.89 6.77 0.65 1.61 -0.00 0.02 -4.85 116.67 119.99 1iqc s ASP 285 Ca 0.00 2.24 -0.11 0.00 -0.00 0.00 0.00 52.55 54.68 1iqc s ASP 285 Cb 0.00 -2.56 -0.02 0.00 -0.00 0.00 0.00 42.92 40.33 1iqc s ASP 285 CO 0.00 -0.76 1.04 -1.10 -0.00 0.00 0.00 175.17 174.35 1iqc s GLN 286 N 2.34 3.36 0.10 8.23 -1.52 -1.26 -4.46 119.66 126.45 1iqc s GLN 286 Ca 0.67 0.77 -0.36 0.00 -1.95 0.00 0.00 55.36 54.49 1iqc s GLN 286 Cb -0.34 -2.05 -0.17 0.00 -0.22 0.00 0.00 33.01 30.23 1iqc s GLN 286 CO 0.28 -0.75 1.23 -2.30 -0.25 0.00 0.00 175.29 173.50 1iqc n PRO 287 N -2.87 0.98 -3.89 2.91 -0.02 -1.26 -4.95 135.00 125.90 1iqc n PRO 287 Ca 0.06 0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 61.59 1iqc n PRO 287 Cb 0.54 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.23 4.29 0.18 2.55 2.15 -1.26 -5.07 116.67 119.75 1iqc s ASP 288 Ca 0.81 -2.38 -0.20 0.00 0.43 0.00 0.00 52.55 51.22 1iqc s ASP 288 Cb -0.96 -1.37 0.04 0.00 -0.30 0.00 0.00 42.92 40.33 1iqc s ASP 288 CO 0.50 -0.33 0.55 0.72 -0.17 0.00 0.00 175.17 176.44 1iqc s PHE 289 N 0.61 -0.29 0.41 -5.34 -0.12 -1.26 -5.15 117.98 106.83 1iqc s PHE 289 Ca 0.14 -0.01 -0.25 0.00 -0.05 0.00 0.00 56.93 56.76 1iqc s PHE 289 Cb -0.22 0.46 -0.08 0.00 -0.63 0.00 0.00 43.02 42.55 1iqc s PHE 289 CO -0.07 -0.89 1.14 0.15 -0.05 0.00 0.00 175.22 175.50 1iqc s LYS 290 N -3.82 4.05 0.07 1.99 -0.14 -1.26 -4.94 119.74 115.69 1iqc s LYS 290 Ca 0.05 1.77 -0.33 0.00 -1.36 0.00 0.00 55.97 56.10 1iqc s LYS 290 Cb -0.01 -2.62 -0.12 0.00 -1.68 0.00 0.00 37.83 33.39 1iqc s LYS 290 CO -0.07 -0.31 1.74 -0.11 -0.76 0.00 0.00 175.35 175.84 1iqc n LEU 291 N -0.01 3.45 -4.77 3.17 7.94 -1.26 -4.88 117.00 120.64 1iqc n LEU 291 Ca 0.05 1.02 -0.41 0.00 -1.11 0.00 0.00 56.01 55.56 1iqc n LEU 291 Cb 0.47 -1.44 -0.01 0.00 0.53 0.00 0.00 43.42 42.97 1iqc n LEU 291 CO 0.49 -0.10 1.12 -2.84 -1.11 0.00 0.00 177.39 174.96 1iqc s PRO 292 N 2.39 4.18 -0.29 1.96 0.02 -1.26 -4.99 135.00 137.01 1iqc s PRO 292 Ca 0.84 2.46 -0.06 0.00 0.02 0.00 0.00 61.00 64.26 1iqc s PRO 292 Cb -0.63 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 30.88 1iqc s PRO 292 CO 0.42 -0.47 0.07 0.42 -0.33 0.00 0.00 177.00 177.11 1iqc s ILE 293 N -0.73 3.87 0.18 2.83 -1.09 -1.26 -5.09 121.20 119.91 1iqc s ILE 293 Ca 0.55 -0.73 -0.05 0.00 -2.23 0.00 0.00 60.65 58.18 1iqc s ILE 293 Cb -0.45 -3.00 -0.06 0.00 -1.58 0.00 0.00 42.46 37.37 1iqc s ILE 293 CO 0.55 0.08 0.43 -0.76 -1.23 0.00 0.00 174.94 174.01 1iqc s LEU 294 N 1.48 4.22 0.47 2.97 1.43 -1.26 -5.07 118.68 122.92 1iqc s LEU 294 Ca 0.02 0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 53.55 1iqc s LEU 294 Cb -0.17 -3.40 -0.07 0.00 0.03 0.00 0.00 46.19 42.57 1iqc s LEU 294 CO 0.02 -0.01 1.16 -2.16 0.23 0.00 0.00 176.35 175.59 1iqc s PRO 295 N -2.84 3.71 0.53 1.29 0.04 -1.26 -5.00 135.00 131.48 1iqc s PRO 295 Ca 0.42 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 63.03 1iqc s PRO 295 Cb -0.12 -2.36 -0.06 0.00 0.04 0.00 0.00 34.50 32.00 1iqc s PRO 295 CO 0.25 -0.58 1.05 -1.25 0.04 0.00 0.00 177.00 176.51 1iqc s PRO 296 N -2.77 3.58 0.61 0.56 0.04 -1.26 -5.02 135.00 130.74 1iqc s PRO 296 Ca 0.65 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 1iqc s PRO 296 Cb -0.28 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1iqc s PRO 296 CO 0.33 -0.61 1.08 -1.12 0.04 0.00 0.00 177.00 176.72 1iqc s SER 297 N -2.24 5.59 0.26 6.66 0.01 -1.26 -4.91 113.70 117.81 1iqc s SER 297 Ca 0.67 1.89 0.01 0.00 1.31 0.00 0.00 55.95 59.82 1iqc s SER 297 Cb -0.17 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 1iqc s SER 297 CO 0.27 -1.30 0.04 -0.46 0.41 0.00 0.00 173.24 172.20 1iqc n ASN 298 N -2.09 1.88 0.33 2.44 6.94 -1.26 -5.00 115.26 118.49 1iqc n ASN 298 Ca 0.09 -2.24 0.21 0.00 -0.02 0.00 0.00 54.58 52.63 1iqc n ASN 298 Cb 0.52 0.41 1.14 0.00 -2.36 0.00 0.00 39.78 39.50 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 0.81 0.00 0.50 0.53 -0.26 -1.97 -1.28 115.58 113.92 1iqc h ASN 299 Ca -0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 1iqc h ASN 299 Cb 0.70 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.96 1iqc h ASN 299 CO 0.33 0.00 -0.43 0.47 -1.06 0.00 0.00 177.43 176.74 1iqc n ASP 300 N -3.00 0.52 -4.71 5.81 10.43 -1.26 -4.91 116.55 119.42 1iqc n ASP 300 Ca -0.03 -0.27 -0.42 0.00 2.57 0.00 0.00 54.79 56.64 1iqc n ASP 300 Cb 0.10 0.18 -0.03 0.00 1.84 0.00 0.00 41.12 43.21 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 -2.94 4.72 0.22 -3.53 2.01 -0.48 -4.90 115.64 110.74 1iqc s THR 301 Ca 0.13 1.96 -0.32 0.00 0.31 0.00 0.00 61.69 63.77 1iqc s THR 301 Cb 0.18 -4.25 -0.13 0.00 0.01 0.00 0.00 72.50 68.31 1iqc s THR 301 CO 0.66 0.15 1.57 -2.65 -0.69 0.00 0.00 174.62 173.66 1iqc n PRO 302 N 3.92 2.37 -2.75 4.92 -0.02 -1.26 -4.89 135.00 137.29 1iqc n PRO 302 Ca 0.07 0.85 -0.39 0.00 -2.02 0.00 0.00 63.50 62.00 1iqc n PRO 302 Cb 0.50 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 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 0.35 4.80 0.49 -0.52 0.52 -1.26 -4.98 118.95 118.34 1iqc s ARG 303 Ca 0.72 1.47 -0.22 0.00 -0.52 0.00 0.00 55.73 57.18 1iqc s ARG 303 Cb -0.60 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 31.61 1iqc s ARG 303 CO 0.42 0.46 1.02 0.43 0.02 0.00 0.00 175.30 177.65 1iqc n SER 304 N 1.30 1.24 -3.41 0.23 7.64 -1.26 -4.97 113.62 114.38 1iqc n SER 304 Ca -0.01 0.95 -0.26 0.00 1.01 0.00 0.00 58.87 60.56 1iqc n SER 304 Cb 0.48 -1.39 -0.08 0.00 -1.01 0.00 0.00 64.21 62.20 1iqc n SER 304 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iqc n GLN 305 N -0.30 1.79 0.13 1.43 6.02 0.62 -4.94 117.38 122.12 1iqc n GLN 305 Ca 0.10 -4.15 -0.00 0.00 -0.01 0.00 0.00 57.00 52.95 1iqc n GLN 305 Cb 0.42 -1.93 0.28 0.00 1.02 0.00 0.00 30.24 30.04 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 4.36 0.14 0.00 -1.09 0.13 -1.74 -3.36 132.00 130.44 1iqc h PRO 306 Ca 0.16 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1iqc h PRO 306 Cb 0.75 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1iqc h PRO 306 CO 0.69 0.51 -1.17 0.66 -0.23 0.00 0.00 178.00 178.46 1iqc n TYR 307 N -4.06 0.00 1.92 1.56 4.02 -1.26 -4.83 117.16 114.52 1iqc n TYR 307 Ca -0.02 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.03 1iqc n TYR 307 Cb 0.44 -0.09 0.88 0.00 -0.02 0.00 0.00 39.34 40.56 1iqc n TYR 307 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00