#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqk s VAL 17 N 0.00 4.08 0.00 1.39 1.01 0.34 -4.32 120.40 122.89 1iqk s VAL 17 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1iqk s VAL 17 Cb 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1iqk s VAL 17 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1iqk n GLY 18 N 3.11 1.73 3.59 4.51 0.00 -1.25 -2.48 105.19 114.40 1iqk n GLY 18 Ca 0.08 -0.61 0.05 0.00 0.00 0.00 0.00 46.02 45.54 1iqk n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqk n GLY 19 N 0.00 -1.87 0.00 -0.02 0.00 -1.26 -4.87 105.19 97.16 1iqk n GLY 19 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1iqk n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iqk n GLN 20 N -1.70 3.45 -4.61 1.61 1.13 0.92 -4.92 117.38 113.26 1iqk n GLN 20 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 1iqk n GLN 20 Cb 0.15 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.34 1iqk n GLN 20 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1iqk s GLU 21 N 2.61 1.61 0.08 -1.09 2.12 -1.26 -2.77 118.70 120.01 1iqk s GLU 21 Ca 0.00 -0.44 -0.31 0.00 0.36 0.00 0.00 54.97 54.58 1iqk s GLU 21 Cb 0.00 -1.37 -0.07 0.00 0.26 0.00 0.00 34.13 32.96 1iqk s GLU 21 CO 0.00 0.09 1.30 0.00 -0.54 0.00 0.00 175.26 176.11 1iqk s LYS 23 N 1.16 2.67 -0.04 0.00 -0.14 -1.26 -4.87 119.74 117.26 1iqk s LYS 23 Ca 0.62 -1.11 -0.40 0.00 -1.36 0.00 0.00 55.97 53.71 1iqk s LYS 23 Cb -0.33 -2.65 -0.20 0.00 -1.68 0.00 0.00 37.83 32.97 1iqk s LYS 23 CO 0.29 -0.49 1.16 -0.25 -0.76 0.00 0.00 175.35 175.30 1iqk n ASP 24 N -2.06 0.32 0.00 2.83 10.43 -1.26 -0.13 116.55 126.67 1iqk n ASP 24 Ca 0.09 1.16 0.00 0.00 2.57 0.00 0.00 54.79 58.60 1iqk n ASP 24 Cb 0.59 -0.95 0.00 0.00 1.84 0.00 0.00 41.12 42.60 1iqk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iqk n GLY 25 N 1.87 0.95 0.26 0.44 0.00 -1.26 -4.85 105.19 102.60 1iqk n GLY 25 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1iqk n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iqk h GLU 26 N 0.89 0.89 -2.08 1.61 5.08 -0.89 -3.34 114.58 116.74 1iqk h GLU 26 Ca 0.00 -0.26 -0.56 0.00 -1.00 0.00 0.00 59.36 57.54 1iqk h GLU 26 Cb 0.00 -0.09 -0.42 0.00 0.50 0.00 0.00 28.75 28.74 1iqk h GLU 26 CO 0.00 0.90 -0.77 0.00 -1.00 0.00 0.00 179.01 178.13 1iqk n PRO 28 N -0.18 0.02 0.00 0.00 -0.04 -1.25 -2.46 135.00 131.08 1iqk n PRO 28 Ca 0.30 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 1iqk n PRO 28 Cb 0.49 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.65 1iqk n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1iqk n TRP 29 N -1.47 0.00 -1.06 0.54 2.14 -1.16 -1.14 117.44 115.28 1iqk n TRP 29 Ca 0.02 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.29 1iqk n TRP 29 Cb 0.10 -0.00 0.13 0.00 -0.81 0.00 0.00 31.31 30.72 1iqk n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1iqk s GLN 30 N -2.07 1.61 -0.19 -2.67 2.00 -1.03 -1.02 119.66 116.29 1iqk s GLN 30 Ca 0.29 1.21 -0.27 0.00 -2.00 0.00 0.00 55.36 54.59 1iqk s GLN 30 Cb 0.20 -1.82 0.07 0.00 0.80 0.00 0.00 33.01 32.26 1iqk s GLN 30 CO 0.35 -2.11 0.70 0.00 -0.50 0.00 0.00 175.29 173.73 1iqk s ALA 31 N -2.82 -1.76 -0.02 1.58 0.00 -0.11 -4.62 121.76 114.01 1iqk s ALA 31 Ca 0.63 1.76 0.07 0.00 0.00 0.00 0.00 51.96 54.42 1iqk s ALA 31 Cb -0.19 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1iqk s ALA 31 CO 0.57 -0.35 -0.24 -1.17 0.00 0.00 0.00 175.76 174.58 1iqk s LEU 32 N -0.19 2.20 -0.45 0.00 2.96 0.16 -0.35 118.68 123.01 1iqk s LEU 32 Ca -0.04 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.31 1iqk s LEU 32 Cb -0.03 -1.38 0.07 0.00 0.50 0.00 0.00 46.19 45.35 1iqk s LEU 32 CO 0.04 0.32 0.34 -0.76 -1.32 0.00 0.00 176.35 174.98 1iqk s LEU 33 N -0.67 5.43 -0.01 -0.68 1.43 -0.54 0.15 118.68 123.78 1iqk s LEU 33 Ca 0.10 -1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 51.86 1iqk s LEU 33 Cb -0.10 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1iqk s LEU 33 CO -0.01 -0.59 0.11 0.27 0.23 0.00 0.00 176.35 176.36 1iqk s ILE 34 N 1.58 4.93 0.38 -0.59 -4.36 -0.14 -0.67 121.20 122.33 1iqk s ILE 34 Ca 0.04 -0.31 -0.03 0.00 -0.26 0.00 0.00 60.65 60.09 1iqk s ILE 34 Cb -0.23 -3.26 0.08 0.00 1.25 0.00 0.00 42.46 40.30 1iqk s ILE 34 CO 0.06 0.36 0.52 -0.46 0.24 0.00 0.00 174.94 175.66 1iqk n ASN 35 N 1.19 0.42 0.11 4.36 0.23 -0.43 -1.41 115.26 119.73 1iqk n ASN 35 Ca -0.13 -1.42 0.03 0.00 -0.53 0.00 0.00 54.58 52.53 1iqk n ASN 35 Cb 0.53 -0.36 0.42 0.00 -2.08 0.00 0.00 39.78 38.28 1iqk n ASN 35 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1iqk h GLU 36 N 0.00 0.26 0.00 -3.83 4.11 -1.90 0.15 114.58 113.37 1iqk h GLU 36 Ca -0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1iqk h GLU 36 Cb 0.56 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1iqk h GLU 36 CO 0.16 0.34 0.00 0.39 0.07 0.00 0.00 179.01 179.97 1iqk n GLU 37 N -4.33 0.80 -2.07 1.06 4.71 -1.26 -4.84 120.64 114.71 1iqk n GLU 37 Ca -0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.95 1iqk n GLU 37 Cb 0.22 -1.19 -0.04 0.00 -1.01 0.00 0.00 31.44 29.42 1iqk n GLU 37 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1iqk n ASN 38 N -0.69 -5.54 -4.89 1.62 2.85 0.52 -4.98 115.26 104.15 1iqk n ASN 38 Ca 0.07 0.20 -0.33 0.00 -0.11 0.00 0.00 54.58 54.42 1iqk n ASN 38 Cb 0.03 -4.73 -0.05 0.00 1.24 0.00 0.00 39.78 36.28 1iqk n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1iqk s GLU 39 N -4.50 3.63 -0.09 1.20 2.02 -1.26 -4.81 118.70 114.89 1iqk s GLU 39 Ca 0.00 -0.05 -0.26 0.00 0.02 0.00 0.00 54.97 54.67 1iqk s GLU 39 Cb 0.00 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 1iqk s GLU 39 CO 0.00 0.53 0.84 0.20 0.02 0.00 0.00 175.26 176.85 1iqk s GLY 40 N -2.17 2.46 -0.05 -1.39 0.00 -1.26 -1.31 107.32 103.60 1iqk s GLY 40 Ca 0.37 0.21 0.11 0.00 0.00 0.00 0.00 44.72 45.41 1iqk s GLY 40 CO 0.22 1.56 0.17 1.97 0.00 0.00 0.00 173.10 177.02 1iqk n PHE 41 N 4.49 0.00 -4.10 1.90 1.16 0.15 -4.97 117.46 116.09 1iqk n PHE 41 Ca 0.04 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.46 1iqk n PHE 41 Cb 0.50 -0.36 -0.04 0.00 -1.61 0.00 0.00 39.48 37.97 1iqk n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iqk n GLY 43 N -0.60 3.59 3.61 0.00 0.00 0.16 -1.47 105.19 110.48 1iqk n GLY 43 Ca 0.01 -2.32 -0.01 0.00 0.00 0.00 0.00 46.02 43.69 1iqk n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqk s GLY 44 N -3.18 -0.35 0.03 -0.02 0.00 0.53 -3.61 107.32 100.71 1iqk s GLY 44 Ca 0.03 1.20 0.07 0.00 0.00 0.00 0.00 44.72 46.03 1iqk s GLY 44 CO 0.02 0.35 -0.19 -1.59 0.00 0.00 0.00 173.10 171.69 1iqk s THR 45 N -2.39 2.69 -0.26 0.90 2.01 -0.79 -0.93 115.64 116.88 1iqk s THR 45 Ca 0.12 -1.18 -0.20 0.00 0.31 0.00 0.00 61.69 60.74 1iqk s THR 45 Cb 0.02 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1iqk s THR 45 CO -0.04 0.37 0.63 -0.63 -0.69 0.00 0.00 174.62 174.26 1iqk s ILE 46 N -0.88 4.98 -0.23 1.82 1.01 -0.19 0.10 121.20 127.81 1iqk s ILE 46 Ca 0.14 1.13 -0.17 0.00 0.00 0.00 0.00 60.65 61.75 1iqk s ILE 46 Cb -0.10 -3.94 -0.17 0.00 0.01 0.00 0.00 42.46 38.26 1iqk s ILE 46 CO 0.04 0.02 -0.01 0.18 0.00 0.00 0.00 174.94 175.17 1iqk n LEU 47 N 5.72 1.98 0.00 2.97 4.77 -0.13 -0.53 117.00 131.78 1iqk n LEU 47 Ca -0.00 0.36 -0.15 0.00 -0.03 0.00 0.00 56.01 56.18 1iqk n LEU 47 Cb 0.49 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 1iqk n LEU 47 CO 0.43 0.44 0.08 -1.54 -1.33 0.00 0.00 177.39 175.48 1iqk n SER 48 N -4.27 -1.09 0.10 -1.43 3.41 -1.16 -4.37 113.62 104.81 1iqk n SER 48 Ca -0.41 -2.87 0.18 0.00 -0.26 0.00 0.00 58.87 55.51 1iqk n SER 48 Cb 0.79 2.13 0.74 0.00 -0.26 0.00 0.00 64.21 67.62 1iqk n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1iqk h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.97 -3.08 114.58 117.96 1iqk h GLU 49 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1iqk h GLU 49 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1iqk h GLU 49 CO 0.34 0.00 -1.29 1.19 0.07 0.00 0.00 179.01 179.32 1iqk n PHE 50 N -4.06 0.00 -5.24 2.06 3.72 -1.26 0.12 117.46 112.81 1iqk n PHE 50 Ca 0.06 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.14 1iqk n PHE 50 Cb 0.48 -0.21 -0.17 0.00 -0.94 0.00 0.00 39.48 38.65 1iqk n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1iqk s TYR 51 N -2.72 2.42 -0.08 1.38 2.02 -1.17 0.07 117.35 119.28 1iqk s TYR 51 Ca -0.02 -0.78 0.03 0.00 -0.37 0.00 0.00 57.07 55.94 1iqk s TYR 51 Cb 0.09 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 40.04 1iqk s TYR 51 CO 0.56 -0.25 -0.18 0.42 -1.57 0.00 0.00 175.55 174.53 1iqk s ILE 52 N -0.06 2.70 0.37 2.71 -1.09 -0.92 -0.96 121.20 123.96 1iqk s ILE 52 Ca -0.07 -0.82 -0.05 0.00 -2.23 0.00 0.00 60.65 57.49 1iqk s ILE 52 Cb -0.14 -2.06 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1iqk s ILE 52 CO 0.05 0.56 0.65 -0.22 -1.23 0.00 0.00 174.94 174.75 1iqk s LEU 53 N -0.13 3.89 -0.07 2.97 2.96 0.29 -0.89 118.68 127.70 1iqk s LEU 53 Ca -0.03 0.77 -0.32 0.00 -0.22 0.00 0.00 54.13 54.34 1iqk s LEU 53 Cb -0.14 -3.65 0.12 0.00 0.50 0.00 0.00 46.19 43.02 1iqk s LEU 53 CO 0.04 -0.36 1.14 0.28 -1.32 0.00 0.00 176.35 176.13 1iqk s THR 54 N -2.37 0.00 0.10 3.68 -1.32 -0.37 -1.89 115.64 113.47 1iqk s THR 54 Ca 0.45 -0.13 -0.30 0.00 -1.21 0.00 0.00 61.69 60.50 1iqk s THR 54 Cb -0.10 -1.36 -0.06 0.00 -1.51 0.00 0.00 72.50 69.47 1iqk s THR 54 CO 0.36 0.00 1.14 0.00 -2.21 0.00 0.00 174.62 173.90 1iqk s ALA 55 N -2.65 3.36 0.20 11.08 0.00 -1.26 -0.89 121.76 131.59 1iqk s ALA 55 Ca 0.10 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 1iqk s ALA 55 Cb 0.00 -3.40 0.15 0.00 0.00 0.00 0.00 23.12 19.87 1iqk s ALA 55 CO -0.05 -0.33 1.86 0.00 0.00 0.00 0.00 175.76 177.25 1iqk h ALA 56 N 6.14 0.88 0.00 0.00 0.00 -1.79 -2.48 119.26 122.01 1iqk h ALA 56 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1iqk h ALA 56 Cb 1.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1iqk h ALA 56 CO 0.77 0.25 0.00 -2.39 0.00 0.00 0.00 179.25 177.88 1iqk n HIS 57 N -4.64 0.20 0.40 0.00 1.44 -1.26 -2.02 115.22 109.35 1iqk n HIS 57 Ca 0.06 0.09 0.12 0.00 -2.01 0.00 0.00 57.72 55.99 1iqk n HIS 57 Cb 0.04 -0.65 0.49 0.00 0.12 0.00 0.00 29.99 30.00 1iqk n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1iqk n LEU 59 N -2.25 7.55 0.00 0.00 4.77 -0.86 -3.82 117.00 122.40 1iqk n LEU 59 Ca 0.02 -4.71 0.00 0.00 -0.03 0.00 0.00 56.01 51.29 1iqk n LEU 59 Cb 0.24 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1iqk n LEU 59 CO 0.20 1.96 0.00 -1.22 -1.33 0.00 0.00 177.39 177.01 1iqk n TYR 60 N 1.26 0.00 -1.76 -1.77 4.01 -1.23 -4.96 117.16 112.71 1iqk n TYR 60 Ca 0.57 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.93 1iqk n TYR 60 Cb 0.33 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.41 1iqk n TYR 60 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1iqk n GLN 61 N -0.07 2.72 0.00 -0.72 3.00 -1.25 -4.83 117.38 116.23 1iqk n GLN 61 Ca 0.00 -3.42 0.00 0.00 -0.01 0.00 0.00 57.00 53.57 1iqk n GLN 61 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 30.24 27.97 1iqk n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1iqk n ALA 61 N -0.58 0.00 -0.11 -1.58 0.00 -1.26 -4.98 120.51 112.00 1iqk n ALA 61 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1iqk n ALA 61 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1iqk n ALA 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1iqk n LYS 62 N 0.00 0.00 -4.41 0.00 4.81 -1.26 -4.65 118.16 112.65 1iqk n LYS 62 Ca 0.00 0.68 -0.34 0.00 -0.87 0.00 0.00 58.31 57.78 1iqk n LYS 62 Cb 0.00 -1.45 -0.10 0.00 0.02 0.00 0.00 35.03 33.51 1iqk n LYS 62 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1iqk s ARG 63 N -2.79 2.83 0.27 1.64 3.00 -1.26 -5.07 118.95 117.57 1iqk s ARG 63 Ca 0.00 -0.53 -0.12 0.00 -1.00 0.00 0.00 55.73 54.08 1iqk s ARG 63 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 34.95 32.27 1iqk s ARG 63 CO 0.00 0.66 0.50 -0.59 0.00 0.00 0.00 175.30 175.88 1iqk s PHE 64 N -0.94 0.43 0.03 5.12 -0.71 -1.26 -3.52 117.98 117.13 1iqk s PHE 64 Ca 0.15 -0.80 -0.01 0.00 -1.04 0.00 0.00 56.93 55.23 1iqk s PHE 64 Cb -0.11 0.21 -0.02 0.00 -1.21 0.00 0.00 43.02 41.88 1iqk s PHE 64 CO 0.05 -1.06 -0.01 0.15 -1.34 0.00 0.00 175.22 173.01 1iqk s LYS 65 N -3.76 0.45 -0.10 1.99 1.02 -0.50 -4.54 119.74 114.30 1iqk s LYS 65 Ca 0.23 -0.82 -0.13 0.00 0.02 0.00 0.00 55.97 55.26 1iqk s LYS 65 Cb -0.01 0.16 -0.05 0.00 -0.52 0.00 0.00 37.83 37.41 1iqk s LYS 65 CO 0.11 -0.08 0.32 0.54 -0.92 0.00 0.00 175.35 175.31 1iqk s VAL 66 N -2.42 5.24 -0.10 3.17 0.11 -0.56 -0.96 120.40 124.87 1iqk s VAL 66 Ca -0.07 0.62 0.04 0.00 -2.93 0.00 0.00 61.98 59.64 1iqk s VAL 66 Cb -0.03 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 1iqk s VAL 66 CO -0.04 0.49 -0.23 -0.60 -3.33 0.00 0.00 175.10 171.38 1iqk s ARG 67 N -0.28 2.95 0.43 1.54 3.52 0.40 0.13 118.95 127.63 1iqk s ARG 67 Ca 0.19 -0.84 0.05 0.00 -0.13 0.00 0.00 55.73 55.00 1iqk s ARG 67 Cb -0.14 -2.27 -0.06 0.00 -1.56 0.00 0.00 34.95 30.93 1iqk s ARG 67 CO 0.08 0.13 0.02 0.14 -0.81 0.00 0.00 175.30 174.86 1iqk s VAL 68 N 0.45 1.59 -1.59 7.11 -7.23 -0.24 0.39 120.40 120.88 1iqk s VAL 68 Ca -0.16 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.00 1iqk s VAL 68 Cb -0.17 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1iqk s VAL 68 CO 0.07 0.00 0.08 0.61 -0.31 0.00 0.00 175.10 175.55 1iqk n GLY 69 N -1.01 -0.50 3.23 2.32 0.00 -1.23 -1.83 105.19 106.17 1iqk n GLY 69 Ca -0.08 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1iqk n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqk s ASP 70 N -2.14 2.88 0.00 1.61 -1.08 -1.26 -2.66 116.67 114.02 1iqk s ASP 70 Ca 0.04 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 1iqk s ASP 70 Cb -0.02 -0.91 0.00 0.00 -1.46 0.00 0.00 42.92 40.52 1iqk s ASP 70 CO 0.05 0.21 0.16 0.54 0.52 0.00 0.00 175.17 176.65 1iqk n ARG 71 N 3.12 1.84 -3.41 4.34 1.74 -1.26 -4.84 116.66 118.19 1iqk n ARG 71 Ca -0.18 -0.16 -0.21 0.00 -0.77 0.00 0.00 57.85 56.52 1iqk n ARG 71 Cb 0.52 -0.57 -0.10 0.00 -1.02 0.00 0.00 32.46 31.29 1iqk n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1iqk s ASN 72 N -0.31 1.92 -1.00 0.55 3.84 -1.26 -1.75 114.94 116.93 1iqk s ASN 72 Ca 0.00 -1.62 -0.21 0.00 0.21 0.00 0.00 52.86 51.24 1iqk s ASN 72 Cb 0.00 0.22 -0.11 0.00 -0.55 0.00 0.00 41.25 40.81 1iqk s ASN 72 CO 0.00 -0.30 1.93 0.35 -2.79 0.00 0.00 177.10 176.29 1iqk n THR 73 N 4.40 2.11 0.00 -5.21 -2.24 -0.39 -2.47 114.28 110.48 1iqk n THR 73 Ca 0.08 -2.00 0.00 0.00 -2.27 0.00 0.00 64.05 59.86 1iqk n THR 73 Cb 0.43 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.37 1iqk n THR 73 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iqk n GLU 74 N 7.49 0.00 0.00 -0.78 0.28 -1.26 -4.96 120.64 121.41 1iqk n GLU 74 Ca 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1iqk n GLU 74 Cb 0.43 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.30 1iqk n GLU 74 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1iqk n GLN 75 N 0.00 1.18 -2.85 3.44 6.02 -1.03 -5.15 117.38 118.99 1iqk n GLN 75 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1iqk n GLN 75 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 1iqk n GLN 75 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1iqk s GLU 76 N 4.83 0.46 0.00 -1.09 2.56 -1.26 -4.96 118.70 119.24 1iqk s GLU 76 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 54.97 54.77 1iqk s GLU 76 Cb 0.00 0.02 0.46 0.00 2.00 0.00 0.00 34.13 36.62 1iqk s GLU 76 CO 0.00 -0.63 1.08 0.39 -0.56 0.00 0.00 175.26 175.54 1iqk n GLU 77 N 3.50 0.18 0.00 4.30 4.71 -1.26 -4.81 120.64 127.25 1iqk n GLU 77 Ca 0.10 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 1iqk n GLU 77 Cb 0.61 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 1iqk n GLU 77 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iqk n GLY 78 N -0.52 2.08 1.84 0.62 0.00 -1.26 -4.80 105.19 103.14 1iqk n GLY 78 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1iqk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqk n GLY 79 N -1.72 3.51 2.21 -0.02 0.00 -1.26 -4.95 105.19 102.96 1iqk n GLY 79 Ca 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 1iqk n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iqk n GLU 80 N -0.34 -0.65 -3.43 1.61 4.71 -1.09 -4.30 120.64 117.16 1iqk n GLU 80 Ca 0.38 -1.22 0.03 0.00 -0.01 0.00 0.00 57.16 56.35 1iqk n GLU 80 Cb 1.28 -0.74 -0.05 0.00 -1.01 0.00 0.00 31.44 30.92 1iqk n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1iqk s ALA 81 N -3.88 -2.97 -0.30 0.62 0.00 -0.76 -4.87 121.76 109.60 1iqk s ALA 81 Ca 0.43 1.89 -0.06 0.00 0.00 0.00 0.00 51.96 54.22 1iqk s ALA 81 Cb -0.01 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.99 1iqk s ALA 81 CO 0.30 -0.63 0.06 0.08 0.00 0.00 0.00 175.76 175.57 1iqk s VAL 82 N 1.51 3.74 0.17 0.00 1.01 -1.26 -1.08 120.40 124.50 1iqk s VAL 82 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1iqk s VAL 82 Cb -0.01 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1iqk s VAL 82 CO -0.13 0.05 0.21 -1.00 0.00 0.00 0.00 175.10 174.23 1iqk s HIS 83 N 1.45 3.30 0.14 5.22 3.76 0.12 -4.97 115.29 124.30 1iqk s HIS 83 Ca 0.01 0.03 0.04 0.00 -0.15 0.00 0.00 55.06 54.99 1iqk s HIS 83 Cb -0.18 -1.57 -0.04 0.00 1.11 0.00 0.00 32.58 31.91 1iqk s HIS 83 CO 0.01 0.51 0.12 -1.21 -0.85 0.00 0.00 174.74 173.33 1iqk s GLU 84 N -3.26 2.92 -0.13 1.40 2.02 -1.26 -1.49 118.70 118.89 1iqk s GLU 84 Ca 0.33 -0.80 -0.20 0.00 0.02 0.00 0.00 54.97 54.31 1iqk s GLU 84 Cb -0.10 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 1iqk s GLU 84 CO 0.26 0.51 0.59 0.08 0.02 0.00 0.00 175.26 176.72 1iqk s VAL 85 N -1.64 5.10 -0.10 2.63 1.01 -1.26 -2.20 120.40 123.94 1iqk s VAL 85 Ca 0.31 1.17 -0.16 0.00 0.00 0.00 0.00 61.98 63.29 1iqk s VAL 85 Cb -0.11 -3.92 -0.27 0.00 0.00 0.00 0.00 36.38 32.08 1iqk s VAL 85 CO 0.23 0.24 0.57 -0.08 0.00 0.00 0.00 175.10 176.06 1iqk h GLU 86 N 6.96 0.24 -2.78 2.72 4.81 -0.33 -3.46 114.58 122.76 1iqk h GLU 86 Ca -0.38 -0.42 -0.12 0.00 -0.13 0.00 0.00 59.36 58.31 1iqk h GLU 86 Cb 1.17 0.16 -0.23 0.00 0.63 0.00 0.00 28.75 30.48 1iqk h GLU 86 CO 0.76 1.20 -0.23 0.14 -0.73 0.00 0.00 179.01 180.15 1iqk s VAL 87 N -2.47 0.01 -0.29 0.32 -7.23 -1.21 -5.01 120.40 104.52 1iqk s VAL 87 Ca -0.20 -0.10 -0.05 0.00 -1.81 0.00 0.00 61.98 59.82 1iqk s VAL 87 Cb 0.04 -0.60 0.02 0.00 0.56 0.00 0.00 36.38 36.40 1iqk s VAL 87 CO 0.77 -0.06 0.04 0.68 -0.31 0.00 0.00 175.10 176.22 1iqk s VAL 88 N -0.18 3.64 -0.41 1.32 -7.23 -1.26 -1.14 120.40 115.14 1iqk s VAL 88 Ca -0.03 -0.84 -0.22 0.00 -1.81 0.00 0.00 61.98 59.08 1iqk s VAL 88 Cb -0.03 -2.89 0.02 0.00 0.56 0.00 0.00 36.38 34.03 1iqk s VAL 88 CO 0.02 0.08 0.70 -0.63 -0.31 0.00 0.00 175.10 174.96 1iqk s ILE 89 N 1.44 4.79 0.04 -0.62 1.01 0.16 -4.96 121.20 123.04 1iqk s ILE 89 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1iqk s ILE 89 Cb -0.17 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1iqk s ILE 89 CO 0.01 -0.53 0.12 -0.75 0.00 0.00 0.00 174.94 173.79 1iqk s LYS 90 N 2.95 3.13 -0.27 2.79 2.20 -1.26 -0.27 119.74 129.01 1iqk s LYS 90 Ca 0.26 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 55.06 1iqk s LYS 90 Cb -0.14 -2.88 -0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1iqk s LYS 90 CO 0.19 0.62 1.34 -1.58 -0.36 0.00 0.00 175.35 175.55 1iqk s HIS 91 N -1.34 2.63 0.29 4.03 5.65 -0.88 -4.91 115.29 120.77 1iqk s HIS 91 Ca 0.28 0.84 0.01 0.00 0.25 0.00 0.00 55.06 56.44 1iqk s HIS 91 Cb -0.12 -3.87 0.71 0.00 -1.18 0.00 0.00 32.58 28.11 1iqk s HIS 91 CO 0.20 -1.87 1.60 -2.95 -0.65 0.00 0.00 174.74 171.08 1iqk h ASN 92 N 9.35 -0.29 0.00 9.88 7.08 -1.92 -0.39 115.58 139.29 1iqk h ASN 92 Ca -0.27 0.24 0.00 0.00 -3.08 0.00 0.00 56.30 53.19 1iqk h ASN 92 Cb 1.11 0.39 0.00 0.00 -2.08 0.00 0.00 38.32 37.74 1iqk h ASN 92 CO 1.02 -0.27 0.00 0.54 -2.08 0.00 0.00 177.43 176.64 1iqk n ARG 93 N -5.38 0.88 -1.42 4.14 1.74 -1.26 -4.90 116.66 110.45 1iqk n ARG 93 Ca 0.22 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.95 1iqk n ARG 93 Cb 0.71 -1.41 0.10 0.00 -1.02 0.00 0.00 32.46 30.84 1iqk n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1iqk s PHE 94 N -1.07 1.95 -0.37 -1.55 5.36 -0.16 -4.61 117.98 117.53 1iqk s PHE 94 Ca 0.00 1.58 0.03 0.00 -0.96 0.00 0.00 56.93 57.59 1iqk s PHE 94 Cb 0.00 -3.57 0.16 0.00 -0.34 0.00 0.00 43.02 39.26 1iqk s PHE 94 CO 0.00 -2.85 0.40 0.95 -1.46 0.00 0.00 175.22 172.25 1iqk s THR 95 N -1.81 -0.40 0.18 0.12 -4.23 -1.05 -4.99 115.64 103.47 1iqk s THR 95 Ca 0.77 -0.86 -0.24 0.00 -1.18 0.00 0.00 61.69 60.18 1iqk s THR 95 Cb -0.32 -0.64 0.07 0.00 1.34 0.00 0.00 72.50 72.95 1iqk s THR 95 CO 0.45 -0.52 1.56 0.07 -0.54 0.00 0.00 174.62 175.64 1iqk h LYS 96 N 7.13 -0.12 -1.47 3.99 -0.00 -1.94 1.10 116.57 125.25 1iqk h LYS 96 Ca 0.04 0.01 0.44 0.00 -0.00 0.00 0.00 60.65 61.14 1iqk h LYS 96 Cb 1.07 0.03 -0.09 0.00 -0.00 0.00 0.00 32.23 33.24 1iqk h LYS 96 CO 0.20 -0.08 1.02 1.05 -0.00 0.00 0.00 179.45 181.63 1iqk h GLU 97 N -0.13 0.06 0.00 0.07 9.09 -1.99 -2.32 114.58 119.36 1iqk h GLU 97 Ca 0.22 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1iqk h GLU 97 Cb 0.55 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 1iqk h GLU 97 CO -0.81 0.04 -0.61 0.25 0.05 0.00 0.00 179.01 177.93 1iqk n THR 98 N -4.33 0.00 -1.99 -1.06 -2.24 0.14 -5.02 114.28 99.79 1iqk n THR 98 Ca 0.36 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.85 1iqk n THR 98 Cb 1.52 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 70.44 1iqk n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iqk n TYR 99 N -1.31 -0.34 -3.63 4.78 4.01 0.36 -5.00 117.16 116.02 1iqk n TYR 99 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 1iqk n TYR 99 Cb 0.00 -2.18 -0.05 0.00 -0.31 0.00 0.00 39.34 36.80 1iqk n TYR 99 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1iqk s ASP 100 N -2.66 6.57 -1.42 7.72 2.15 -1.22 -4.10 116.67 123.71 1iqk s ASP 100 Ca 0.00 0.69 -0.09 0.00 0.43 0.00 0.00 52.55 53.57 1iqk s ASP 100 Cb 0.00 -2.13 0.03 0.00 -0.30 0.00 0.00 42.92 40.51 1iqk s ASP 100 CO 0.00 0.14 1.07 0.49 -0.17 0.00 0.00 175.17 176.70 1iqk n PHE 101 N 0.64 -2.65 -2.56 -5.34 3.01 -1.26 -2.52 117.46 106.78 1iqk n PHE 101 Ca -0.06 0.93 -0.41 0.00 1.01 0.00 0.00 57.45 58.91 1iqk n PHE 101 Cb 0.52 -4.73 -0.03 0.00 -0.01 0.00 0.00 39.48 35.23 1iqk n PHE 101 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1iqk s ASP 102 N -3.23 6.55 -0.23 4.37 -1.08 -1.26 -4.13 116.67 117.66 1iqk s ASP 102 Ca 0.57 -1.58 -0.27 0.00 -0.52 0.00 0.00 52.55 50.75 1iqk s ASP 102 Cb -0.26 -2.57 0.11 0.00 -1.46 0.00 0.00 42.92 38.74 1iqk s ASP 102 CO 0.70 -1.46 0.96 -0.51 0.52 0.00 0.00 175.17 175.38 1iqk s ILE 103 N 4.88 0.00 0.07 4.11 2.07 -1.26 -4.07 121.20 126.99 1iqk s ILE 103 Ca 0.47 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.57 1iqk s ILE 103 Cb 0.01 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.62 1iqk s ILE 103 CO -0.08 0.00 0.32 0.00 -1.91 0.00 0.00 174.94 173.28 1iqk s ALA 104 N -0.19 -0.71 -0.03 1.50 0.00 -0.07 -2.06 121.76 120.21 1iqk s ALA 104 Ca 0.01 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 51.96 1iqk s ALA 104 Cb -0.04 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 1iqk s ALA 104 CO -0.02 -0.48 -0.17 0.08 0.00 0.00 0.00 175.76 175.17 1iqk s VAL 105 N -2.98 1.37 -0.10 0.00 1.01 0.63 -1.24 120.40 119.09 1iqk s VAL 105 Ca -0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1iqk s VAL 105 Cb 0.01 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1iqk s VAL 105 CO -0.06 0.39 -0.03 -0.76 0.00 0.00 0.00 175.10 174.65 1iqk s LEU 106 N -0.18 3.39 -0.27 3.92 1.43 -0.07 0.37 118.68 127.28 1iqk s LEU 106 Ca 0.02 0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.04 1iqk s LEU 106 Cb -0.09 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 1iqk s LEU 106 CO 0.01 0.31 0.16 -0.60 0.23 0.00 0.00 176.35 176.46 1iqk s ARG 107 N -0.50 3.90 0.11 1.70 6.06 -0.29 -2.16 118.95 127.77 1iqk s ARG 107 Ca 0.08 -0.35 -0.28 0.00 -2.50 0.00 0.00 55.73 52.68 1iqk s ARG 107 Cb -0.12 -3.58 -0.06 0.00 0.06 0.00 0.00 34.95 31.25 1iqk s ARG 107 CO 0.02 -0.16 0.88 -0.51 -2.50 0.00 0.00 175.30 173.02 1iqk s LEU 108 N 1.68 4.51 0.09 -0.88 1.43 0.11 0.43 118.68 126.05 1iqk s LEU 108 Ca 0.07 1.69 -0.16 0.00 -1.03 0.00 0.00 54.13 54.70 1iqk s LEU 108 Cb -0.16 -3.44 -0.08 0.00 0.03 0.00 0.00 46.19 42.54 1iqk s LEU 108 CO 0.09 0.02 1.44 0.50 0.23 0.00 0.00 176.35 178.62 1iqk h LYS 109 N 5.30 0.65 -5.02 1.70 3.64 -1.76 -3.42 116.57 117.65 1iqk h LYS 109 Ca -0.44 -0.31 -0.65 0.00 -1.27 0.00 0.00 60.65 57.98 1iqk h LYS 109 Cb 1.21 -0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.80 1iqk h LYS 109 CO 0.70 0.91 -0.64 0.99 -2.27 0.00 0.00 179.45 179.14 1iqk s THR 110 N -4.47 4.13 0.49 1.00 2.01 -1.26 -5.06 115.64 112.47 1iqk s THR 110 Ca -0.13 -0.24 -0.23 0.00 0.31 0.00 0.00 61.69 61.40 1iqk s THR 110 Cb 0.08 -2.90 -0.08 0.00 0.01 0.00 0.00 72.50 69.61 1iqk s THR 110 CO 0.81 0.38 1.19 -0.81 -0.69 0.00 0.00 174.62 175.50 1iqk n PRO 111 N 4.64 1.58 -2.43 4.92 -0.04 -1.26 -4.89 135.00 137.52 1iqk n PRO 111 Ca -0.17 0.57 -0.41 0.00 -0.04 0.00 0.00 63.50 63.46 1iqk n PRO 111 Cb 0.51 -2.34 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 1iqk n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1iqk s ILE 112 N -1.29 3.63 -0.51 0.52 1.01 0.33 -5.00 121.20 119.89 1iqk s ILE 112 Ca 0.67 1.42 -0.13 0.00 0.00 0.00 0.00 60.65 62.61 1iqk s ILE 112 Cb -0.47 -3.91 0.12 0.00 0.01 0.00 0.00 42.46 38.21 1iqk s ILE 112 CO 0.53 0.25 0.44 -0.89 0.00 0.00 0.00 174.94 175.27 1iqk s THR 113 N -0.29 4.83 -0.08 2.92 2.01 -1.26 -4.73 115.64 119.04 1iqk s THR 113 Ca 0.50 -1.59 -0.29 0.00 0.31 0.00 0.00 61.69 60.62 1iqk s THR 113 Cb -0.32 -4.11 -0.07 0.00 0.01 0.00 0.00 72.50 68.02 1iqk s THR 113 CO 0.37 -0.82 1.95 -0.36 -0.69 0.00 0.00 174.62 175.07 1iqk s PHE 114 N 1.51 1.44 0.15 4.92 0.08 -1.26 -4.96 117.98 119.87 1iqk s PHE 114 Ca 0.04 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.13 1iqk s PHE 114 Cb -0.28 -4.09 -0.01 0.00 -0.57 0.00 0.00 43.02 38.07 1iqk s PHE 114 CO 0.02 -4.63 0.15 2.89 -0.10 0.00 0.00 175.22 173.54 1iqk n ARG 115 N 7.83 0.22 -1.60 0.44 0.00 -0.56 -5.00 116.66 117.98 1iqk n ARG 115 Ca 0.22 -1.47 -0.44 0.00 -0.00 0.00 0.00 57.85 56.16 1iqk n ARG 115 Cb 0.43 1.25 -0.01 0.00 -0.00 0.00 0.00 32.46 34.13 1iqk n ARG 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1iqk n MET 116 N -0.28 1.42 -1.97 2.89 0.00 -1.26 -0.19 117.12 117.73 1iqk n MET 116 Ca 0.03 0.50 -0.18 0.00 -0.00 0.00 0.00 57.70 58.05 1iqk n MET 116 Cb 0.27 -1.93 -0.04 0.00 0.00 0.00 0.00 33.22 31.52 1iqk n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1iqk n ASN 117 N 1.04 -5.25 -3.21 6.12 5.03 -1.26 -4.93 115.26 112.80 1iqk n ASN 117 Ca 0.09 0.20 -0.00 0.00 0.87 0.00 0.00 54.58 55.73 1iqk n ASN 117 Cb 0.34 -4.33 -0.02 0.00 -1.02 0.00 0.00 39.78 34.76 1iqk n ASN 117 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1iqk s VAL 118 N -2.80 -0.93 -0.09 2.41 1.01 0.74 -3.51 120.40 117.23 1iqk s VAL 118 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 1iqk s VAL 118 Cb 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 36.07 1iqk s VAL 118 CO 0.00 -0.06 0.34 0.00 0.00 0.00 0.00 175.10 175.38 1iqk s ALA 119 N 2.09 -0.86 0.76 5.51 0.00 -0.30 -1.50 121.76 127.46 1iqk s ALA 119 Ca 0.14 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 1iqk s ALA 119 Cb -0.07 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.75 1iqk s ALA 119 CO -0.12 -0.20 1.08 -1.25 0.00 0.00 0.00 175.76 175.27 1iqk s PRO 120 N -0.34 2.36 -0.11 0.00 0.04 -1.26 -3.00 135.00 132.69 1iqk s PRO 120 Ca -0.05 1.08 -0.02 0.00 0.04 0.00 0.00 61.00 62.05 1iqk s PRO 120 Cb -0.03 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1iqk s PRO 120 CO 0.02 -1.55 -0.02 0.00 0.04 0.00 0.00 177.00 175.49 1iqk s ALA 121 N -2.95 3.16 0.63 8.56 0.00 0.31 -4.86 121.76 126.62 1iqk s ALA 121 Ca 0.60 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 1iqk s ALA 121 Cb -0.16 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 1iqk s ALA 121 CO 0.56 0.46 1.17 0.00 0.00 0.00 0.00 175.76 177.95 1iqk s LEU 123 N -4.47 3.78 1.11 0.00 1.02 -1.26 -1.60 118.68 117.26 1iqk s LEU 123 Ca 0.73 0.03 -0.19 0.00 0.02 0.00 0.00 54.13 54.73 1iqk s LEU 123 Cb -0.27 -1.97 0.26 0.00 0.02 0.00 0.00 46.19 44.23 1iqk s LEU 123 CO 0.37 0.12 1.24 -2.16 0.02 0.00 0.00 176.35 175.94 1iqk s PRO 124 N 0.71 -0.51 -0.32 1.29 0.04 -1.26 -4.98 135.00 129.97 1iqk s PRO 124 Ca 0.04 -0.36 -0.08 0.00 0.04 0.00 0.00 61.00 60.64 1iqk s PRO 124 Cb -0.13 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.71 1iqk s PRO 124 CO 0.02 -3.19 0.12 -2.00 0.04 0.00 0.00 177.00 171.99 1iqk s GLU 124 N -5.74 3.04 0.07 4.56 -6.30 -1.26 -4.99 118.70 108.08 1iqk s GLU 124 Ca 0.74 -0.90 -0.09 0.00 -2.50 0.00 0.00 54.97 52.22 1iqk s GLU 124 Cb -0.05 -3.48 0.02 0.00 0.00 0.00 0.00 34.13 30.63 1iqk s GLU 124 CO 0.55 -0.50 0.57 -2.13 0.02 0.00 0.00 175.26 173.76 1iqk n ARG 125 N 4.90 -0.13 0.22 4.30 0.63 -1.26 0.07 116.66 125.40 1iqk n ARG 125 Ca -0.14 0.56 -0.15 0.00 -0.92 0.00 0.00 57.85 57.21 1iqk n ARG 125 Cb 0.47 -0.83 -0.08 0.00 0.45 0.00 0.00 32.46 32.47 1iqk n ARG 125 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1iqk h ASP 126 N 0.00 -0.46 -0.94 6.15 3.45 -1.95 -2.38 116.42 120.29 1iqk h ASP 126 Ca 0.09 -0.07 0.13 0.00 0.43 0.00 0.00 57.03 57.60 1iqk h ASP 126 Cb 0.18 0.12 -0.08 0.00 -0.56 0.00 0.00 39.33 38.99 1iqk h ASP 126 CO -0.36 -0.20 0.60 -0.25 -1.57 0.00 0.00 179.24 177.47 1iqk h TRP 127 N -0.72 0.98 0.59 4.55 7.01 -1.53 -2.74 115.95 124.10 1iqk h TRP 127 Ca -0.06 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.94 1iqk h TRP 127 Cb 0.51 -0.31 0.01 0.00 -2.10 0.00 0.00 29.16 27.26 1iqk h TRP 127 CO -0.01 0.39 -0.28 0.00 -2.79 0.00 0.00 178.44 175.74 1iqk h ALA 128 N 1.57 -1.04 -0.10 2.65 0.00 -0.21 -0.19 119.26 121.93 1iqk h ALA 128 Ca 0.47 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1iqk h ALA 128 Cb 0.58 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1iqk h ALA 128 CO -0.23 -0.98 0.16 0.93 0.00 0.00 0.00 179.25 179.13 1iqk h GLU 129 N -0.91 0.00 0.00 0.00 5.08 -1.42 0.81 114.58 118.13 1iqk h GLU 129 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1iqk h GLU 129 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1iqk h GLU 129 CO 0.13 0.00 -0.33 0.77 -1.00 0.00 0.00 179.01 178.58 1iqk h SER 130 N 0.00 0.00 0.07 1.42 0.02 -1.45 -3.38 113.55 110.23 1iqk h SER 130 Ca 0.05 -0.07 -0.29 0.00 -0.84 0.00 0.00 61.79 60.64 1iqk h SER 130 Cb 0.37 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1iqk h SER 130 CO -0.00 0.71 -1.59 0.74 -1.14 0.00 0.00 176.83 175.54 1iqk h THR 131 N -1.00 0.81 0.22 -2.27 2.02 -0.90 -3.37 112.91 108.42 1iqk h THR 131 Ca -0.02 -2.27 -0.01 0.00 0.77 0.00 0.00 66.41 64.87 1iqk h THR 131 Cb 0.37 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1iqk h THR 131 CO -0.01 0.61 -0.11 -0.07 0.37 0.00 0.00 175.52 176.31 1iqk h LEU 131 N -0.46 -0.25 0.00 2.58 4.07 0.41 -3.27 115.31 118.39 1iqk h LEU 131 Ca -0.38 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.31 1iqk h LEU 131 Cb 1.67 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.48 1iqk h LEU 131 CO -0.05 0.21 0.00 0.23 -1.08 0.00 0.00 178.44 177.75 1iqk n MET 131 N -5.02 0.71 -0.05 1.13 2.81 0.48 -2.47 117.12 114.73 1iqk n MET 131 Ca -0.09 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.83 1iqk n MET 131 Cb 0.26 -1.17 0.05 0.00 -0.71 0.00 0.00 33.22 31.65 1iqk n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1iqk n THR 132 N -0.67 0.66 -1.26 2.03 -2.24 -1.23 -4.99 114.28 106.58 1iqk n THR 132 Ca 0.06 -0.83 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 1iqk n THR 132 Cb 0.03 0.70 0.11 0.00 -2.10 0.00 0.00 70.33 69.06 1iqk n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1iqk s GLN 133 N -0.79 1.87 0.04 -0.78 2.00 -1.03 -4.97 119.66 116.00 1iqk s GLN 133 Ca 0.08 0.99 -0.22 0.00 -2.00 0.00 0.00 55.36 54.21 1iqk s GLN 133 Cb 0.04 -1.87 -0.15 0.00 0.80 0.00 0.00 33.01 31.84 1iqk s GLN 133 CO 0.06 -1.86 1.45 0.87 -0.50 0.00 0.00 175.29 175.30 1iqk h LYS 134 N -1.28 0.18 0.00 1.67 1.79 -1.95 -3.42 116.57 113.57 1iqk h LYS 134 Ca -0.46 -0.06 -0.67 0.00 -2.18 0.00 0.00 60.65 57.28 1iqk h LYS 134 Cb 1.25 -0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 31.76 1iqk h LYS 134 CO 0.53 0.46 -0.49 0.25 -1.08 0.00 0.00 179.45 179.13 1iqk n THR 135 N -4.80 0.00 -3.76 -0.16 -2.24 -1.26 -0.99 114.28 101.07 1iqk n THR 135 Ca -0.06 -2.45 -0.13 0.00 -2.27 0.00 0.00 64.05 59.13 1iqk n THR 135 Cb 0.22 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 68.87 1iqk n THR 135 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqk s GLY 136 N -3.83 -0.21 -0.27 3.38 0.00 0.37 -4.77 107.32 101.99 1iqk s GLY 136 Ca 0.02 0.69 -0.17 0.00 0.00 0.00 0.00 44.72 45.26 1iqk s GLY 136 CO 0.01 0.52 0.48 -0.42 0.00 0.00 0.00 173.10 173.69 1iqk s ILE 137 N -0.48 5.10 0.01 0.90 -1.09 0.60 -0.26 121.20 125.98 1iqk s ILE 137 Ca -0.06 0.78 0.06 0.00 -2.23 0.00 0.00 60.65 59.21 1iqk s ILE 137 Cb -0.04 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1iqk s ILE 137 CO 0.02 0.10 -0.18 0.54 -1.23 0.00 0.00 174.94 174.19 1iqk s VAL 138 N 2.25 2.75 0.23 2.92 0.11 -1.15 -1.27 120.40 126.24 1iqk s VAL 138 Ca 0.19 -1.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.06 1iqk s VAL 138 Cb -0.16 -2.11 -0.01 0.00 -1.53 0.00 0.00 36.38 32.58 1iqk s VAL 138 CO 0.09 0.43 0.43 -0.94 -3.33 0.00 0.00 175.10 171.79 1iqk s SER 139 N -1.16 -0.07 0.00 3.54 1.04 -1.14 -0.32 113.70 115.59 1iqk s SER 139 Ca 0.13 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1iqk s SER 139 Cb -0.10 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1iqk s SER 139 CO 0.03 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.77 1iqk n GLY 140 N -0.35 -2.60 1.55 7.32 0.00 -0.78 -4.34 105.19 105.99 1iqk n GLY 140 Ca -0.02 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 1iqk n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqk n PHE 141 N -0.56 1.80 -3.19 1.61 3.72 -1.26 -1.57 117.46 118.00 1iqk n PHE 141 Ca 0.00 -1.82 -0.24 0.00 -0.05 0.00 0.00 57.45 55.34 1iqk n PHE 141 Cb 0.00 -0.66 -0.00 0.00 -0.94 0.00 0.00 39.48 37.88 1iqk n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1iqk s GLY 142 N -2.30 1.43 0.06 1.37 0.00 -1.26 -2.39 107.32 104.23 1iqk s GLY 142 Ca 0.49 -0.94 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 1iqk s GLY 142 CO 0.02 -0.83 0.46 0.54 0.00 0.00 0.00 173.10 173.29 1iqk n ARG 143 N -1.92 0.00 0.05 2.90 1.74 -0.46 0.24 116.66 119.21 1iqk n ARG 143 Ca -0.02 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.17 1iqk n ARG 143 Cb 0.57 -0.72 0.07 0.00 -1.02 0.00 0.00 32.46 31.36 1iqk n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1iqk n THR 144 N 0.44 0.30 -4.04 0.55 -2.24 -1.24 0.10 114.28 108.15 1iqk n THR 144 Ca 0.11 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1iqk n THR 144 Cb 0.09 -0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 1iqk n THR 144 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1iqk s HIS 145 N -3.22 0.54 0.22 4.78 5.65 -1.26 -3.97 115.29 118.03 1iqk s HIS 145 Ca 0.04 -0.50 -0.08 0.00 0.25 0.00 0.00 55.06 54.76 1iqk s HIS 145 Cb 0.13 -0.33 0.34 0.00 -1.18 0.00 0.00 32.58 31.54 1iqk s HIS 145 CO 0.77 -0.12 1.71 1.49 -0.65 0.00 0.00 174.74 177.95 1iqk h GLU 147 N 4.57 0.31 -0.42 2.88 4.81 -1.90 -2.43 114.58 122.39 1iqk h GLU 147 Ca -0.34 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1iqk h GLU 147 Cb 1.20 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1iqk h GLU 147 CO 0.41 0.20 0.00 1.63 -0.73 0.00 0.00 179.01 180.52 1iqk n LYS 148 N -5.09 2.46 -0.56 1.92 5.02 -1.26 -4.94 118.16 115.71 1iqk n LYS 148 Ca 0.10 -2.17 -0.05 0.00 -2.02 0.00 0.00 58.31 54.17 1iqk n LYS 148 Cb 0.35 -1.41 0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1iqk n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqk n GLY 149 N 1.09 -0.57 1.33 0.72 0.00 -0.92 -5.10 105.19 101.74 1iqk n GLY 149 Ca 0.16 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 1iqk n GLY 149 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1iqk n ARG 150 N -1.47 -0.38 -3.42 1.61 1.85 -1.26 -4.86 116.66 108.73 1iqk n ARG 150 Ca 0.03 -0.73 -0.28 0.00 -1.00 0.00 0.00 57.85 55.88 1iqk n ARG 150 Cb 0.11 -0.45 -0.03 0.00 -1.05 0.00 0.00 32.46 31.04 1iqk n ARG 150 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1iqk s GLN 151 N -3.94 3.59 0.68 2.89 0.74 -1.26 -3.65 119.66 118.70 1iqk s GLN 151 Ca 0.26 -0.11 -0.15 0.00 0.05 0.00 0.00 55.36 55.41 1iqk s GLN 151 Cb -0.01 -2.69 0.01 0.00 1.10 0.00 0.00 33.01 31.42 1iqk s GLN 151 CO 0.18 0.25 1.14 0.45 -0.55 0.00 0.00 175.29 176.75 1iqk s SER 152 N -3.25 4.82 -0.00 6.67 0.15 -1.01 -4.83 113.70 116.25 1iqk s SER 152 Ca 0.42 2.10 0.05 0.00 0.70 0.00 0.00 55.95 59.22 1iqk s SER 152 Cb -0.11 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.58 1iqk s SER 152 CO 0.30 -1.83 0.17 1.07 1.20 0.00 0.00 173.24 174.15 1iqk n THR 153 N -2.53 0.00 -4.51 6.45 5.66 -1.26 -4.76 114.28 113.32 1iqk n THR 153 Ca 0.11 -0.29 -0.30 0.00 -3.05 0.00 0.00 64.05 60.53 1iqk n THR 153 Cb 0.51 0.77 -0.13 0.00 -1.55 0.00 0.00 70.33 69.94 1iqk n THR 153 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1iqk s ARG 154 N -1.79 1.77 -0.38 1.09 1.81 -1.26 -1.26 118.95 118.93 1iqk s ARG 154 Ca 0.00 -1.16 -0.29 0.00 -1.72 0.00 0.00 55.73 52.57 1iqk s ARG 154 Cb 0.03 -2.06 0.01 0.00 -0.45 0.00 0.00 34.95 32.48 1iqk s ARG 154 CO 0.20 0.49 1.43 -1.17 -0.68 0.00 0.00 175.30 175.58 1iqk s LEU 155 N -1.80 3.63 0.38 2.53 2.96 -0.72 -4.67 118.68 121.00 1iqk s LEU 155 Ca 0.15 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 1iqk s LEU 155 Cb -0.10 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 1iqk s LEU 155 CO 0.07 -1.40 0.59 -0.54 -1.32 0.00 0.00 176.35 173.75 1iqk s LYS 156 N 4.88 3.37 -0.21 1.98 1.02 -0.61 -1.11 119.74 129.06 1iqk s LYS 156 Ca 0.62 -0.36 -0.06 0.00 0.02 0.00 0.00 55.97 56.20 1iqk s LYS 156 Cb -0.15 -2.62 0.10 0.00 -0.52 0.00 0.00 37.83 34.64 1iqk s LYS 156 CO 0.31 0.01 0.41 0.00 -0.92 0.00 0.00 175.35 175.17 1iqk s MET 157 N -4.40 0.33 0.54 1.68 0.23 -1.12 -1.87 119.30 114.68 1iqk s MET 157 Ca 0.43 0.94 0.09 0.00 -1.03 0.00 0.00 55.69 56.11 1iqk s MET 157 Cb -0.10 0.18 0.07 0.00 -1.53 0.00 0.00 34.83 33.45 1iqk s MET 157 CO 0.37 -0.34 0.71 -1.17 -2.03 0.00 0.00 175.02 172.57 1iqk s LEU 158 N 2.60 3.20 -0.44 0.18 0.20 0.56 -0.05 118.68 124.93 1iqk s LEU 158 Ca 0.02 -0.78 0.02 0.00 0.69 0.00 0.00 54.13 54.07 1iqk s LEU 158 Cb -0.13 -1.82 0.14 0.00 -0.43 0.00 0.00 46.19 43.95 1iqk s LEU 158 CO -0.13 -1.19 0.24 -0.70 -0.29 0.00 0.00 176.35 174.28 1iqk s GLU 159 N -4.56 1.28 -0.38 1.98 2.12 -1.26 -2.94 118.70 114.94 1iqk s GLU 159 Ca 0.58 -2.01 -0.27 0.00 0.36 0.00 0.00 54.97 53.63 1iqk s GLU 159 Cb -0.06 -2.30 0.02 0.00 0.26 0.00 0.00 34.13 32.04 1iqk s GLU 159 CO 0.36 -1.17 0.98 0.14 -0.54 0.00 0.00 175.26 175.03 1iqk s VAL 160 N 0.34 4.52 0.57 3.70 -7.23 0.65 -4.77 120.40 118.17 1iqk s VAL 160 Ca 0.18 1.28 -0.19 0.00 -1.81 0.00 0.00 61.98 61.44 1iqk s VAL 160 Cb -0.23 -4.39 -0.05 0.00 0.56 0.00 0.00 36.38 32.28 1iqk s VAL 160 CO -0.01 -0.60 1.14 -2.16 -0.31 0.00 0.00 175.10 173.17 1iqk s PRO 161 N 3.64 3.19 0.19 4.82 0.04 -1.26 -0.48 135.00 145.14 1iqk s PRO 161 Ca 0.41 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 1iqk s PRO 161 Cb -0.11 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1iqk s PRO 161 CO 0.20 -0.98 1.24 0.71 0.04 0.00 0.00 177.00 178.21 1iqk s TYR 162 N -1.80 3.35 0.36 0.56 2.02 -0.16 -1.46 117.35 120.22 1iqk s TYR 162 Ca 0.73 1.34 -0.04 0.00 -0.37 0.00 0.00 57.07 58.73 1iqk s TYR 162 Cb -0.25 -3.50 -0.04 0.00 -0.40 0.00 0.00 41.96 37.77 1iqk s TYR 162 CO 0.30 -1.48 0.63 0.08 -1.57 0.00 0.00 175.55 173.51 1iqk s VAL 163 N 0.02 5.00 -0.10 0.71 1.01 -0.95 -4.90 120.40 121.18 1iqk s VAL 163 Ca 0.54 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 1iqk s VAL 163 Cb -0.34 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1iqk s VAL 163 CO 0.37 -0.54 1.20 -0.62 0.00 0.00 0.00 175.10 175.52 1iqk s ASP 164 N -3.65 7.03 0.49 3.32 2.15 -1.26 -4.80 116.67 119.94 1iqk s ASP 164 Ca 0.44 1.73 0.40 0.00 0.43 0.00 0.00 52.55 55.56 1iqk s ASP 164 Cb -0.10 -2.55 1.59 0.00 -0.30 0.00 0.00 42.92 41.55 1iqk s ASP 164 CO 0.35 -0.64 1.54 -1.14 -0.17 0.00 0.00 175.17 175.12 1iqk n ARG 165 N 5.73 -0.02 -0.09 4.34 3.00 -1.26 -0.94 116.66 127.42 1iqk n ARG 165 Ca 0.12 1.16 -0.15 0.00 -0.00 0.00 0.00 57.85 58.98 1iqk n ARG 165 Cb 0.46 -2.46 -0.09 0.00 0.00 0.00 0.00 32.46 30.37 1iqk n ARG 165 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1iqk h ASN 166 N 0.00 0.00 -0.69 6.15 2.35 -2.00 -3.08 115.58 118.31 1iqk h ASN 166 Ca 0.90 -0.46 0.14 0.00 -0.55 0.00 0.00 56.30 56.33 1iqk h ASN 166 Cb 3.24 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 41.48 1iqk h ASN 166 CO -0.25 1.18 -0.16 0.28 -1.65 0.00 0.00 177.43 176.82 1iqk h SER 167 N -1.00 -0.63 -0.88 5.81 0.02 -1.75 0.33 113.55 115.45 1iqk h SER 167 Ca -0.19 0.21 0.14 0.00 -0.84 0.00 0.00 61.79 61.11 1iqk h SER 167 Cb 0.99 0.42 -0.15 0.00 0.14 0.00 0.00 62.40 63.81 1iqk h SER 167 CO -0.11 -0.23 -0.37 0.00 -1.14 0.00 0.00 176.83 174.98 1iqk h LYS 169 N -0.05 0.13 0.15 0.00 1.57 -0.31 -2.58 116.57 115.48 1iqk h LYS 169 Ca 0.31 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.78 1iqk h LYS 169 Cb 0.58 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.91 1iqk h LYS 169 CO -0.90 0.29 -1.20 -0.07 -0.57 0.00 0.00 179.45 177.00 1iqk h LEU 170 N 0.13 0.81 -1.62 2.94 3.38 0.47 -3.26 115.31 118.15 1iqk h LEU 170 Ca 0.03 -0.86 -0.04 0.00 0.09 0.00 0.00 57.88 57.10 1iqk h LEU 170 Cb 0.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1iqk h LEU 170 CO 0.02 1.59 -0.21 0.77 0.09 0.00 0.00 178.44 180.70 1iqk h SER 171 N 0.15 0.00 -1.83 -0.43 4.64 -0.73 -3.45 113.55 111.90 1iqk h SER 171 Ca -0.19 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.95 1iqk h SER 171 Cb 1.90 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 64.10 1iqk h SER 171 CO 0.23 0.21 -0.09 -0.24 -0.87 0.00 0.00 176.83 176.07 1iqk n SER 172 N -3.89 -2.88 0.00 4.97 2.88 -0.98 -4.83 113.62 108.90 1iqk n SER 172 Ca -0.02 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 1iqk n SER 172 Cb 0.30 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1iqk n SER 172 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iqk n SER 173 N -3.07 0.00 -4.16 -3.46 7.64 -1.26 -5.09 113.62 104.22 1iqk n SER 173 Ca 0.07 -0.59 -0.11 0.00 1.01 0.00 0.00 58.87 59.25 1iqk n SER 173 Cb 0.29 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 1iqk n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iqk s PHE 174 N 0.00 1.00 -0.36 1.43 0.08 -1.26 -5.14 117.98 113.73 1iqk s PHE 174 Ca 0.00 -1.26 -0.25 0.00 0.12 0.00 0.00 56.93 55.55 1iqk s PHE 174 Cb 0.00 -0.43 0.01 0.00 -0.57 0.00 0.00 43.02 42.03 1iqk s PHE 174 CO 0.00 -0.68 0.86 0.42 -0.10 0.00 0.00 175.22 175.71 1iqk s ILE 175 N -4.13 4.66 -1.03 0.64 1.01 -1.26 -4.99 121.20 116.10 1iqk s ILE 175 Ca 0.35 1.06 -0.22 0.00 0.00 0.00 0.00 60.65 61.84 1iqk s ILE 175 Cb 0.06 -4.27 0.06 0.00 0.01 0.00 0.00 42.46 38.31 1iqk s ILE 175 CO 0.10 -0.48 1.45 -0.63 0.00 0.00 0.00 174.94 175.38 1iqk s ILE 176 N 3.29 4.00 1.29 2.92 1.09 -1.26 -4.98 121.20 127.55 1iqk s ILE 176 Ca 0.35 -0.91 -0.18 0.00 -1.10 0.00 0.00 60.65 58.81 1iqk s ILE 176 Cb -0.13 -5.05 0.32 0.00 -1.06 0.00 0.00 42.46 36.55 1iqk s ILE 176 CO 0.18 -1.91 0.99 0.42 -0.10 0.00 0.00 174.94 174.51 1iqk s THR 177 N 4.75 1.57 0.49 2.92 -4.23 -1.26 -4.87 115.64 115.01 1iqk s THR 177 Ca 0.46 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 61.26 1iqk s THR 177 Cb -0.00 -2.13 0.49 0.00 1.34 0.00 0.00 72.50 72.20 1iqk s THR 177 CO -0.09 0.00 1.80 0.06 -0.54 0.00 0.00 174.62 175.86 1iqk h GLN 178 N -3.00 0.13 -1.45 3.99 3.07 -2.04 -2.71 115.11 113.10 1iqk h GLN 178 Ca -0.51 -0.01 -0.56 0.00 0.09 0.00 0.00 58.65 57.66 1iqk h GLN 178 Cb 1.34 -0.03 -0.22 0.00 0.08 0.00 0.00 27.48 28.64 1iqk h GLN 178 CO 0.39 0.09 0.69 0.09 0.09 0.00 0.00 178.83 180.18 1iqk n ASN 179 N -4.35 7.13 -3.62 0.06 3.02 -1.26 -4.92 115.26 111.32 1iqk n ASN 179 Ca 0.24 -3.49 -0.06 0.00 -0.03 0.00 0.00 54.58 51.25 1iqk n ASN 179 Cb 1.08 -1.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 1iqk n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iqk s MET 180 N -2.94 0.31 0.17 3.52 0.23 -1.02 -3.56 119.30 116.01 1iqk s MET 180 Ca 0.52 0.11 0.02 0.00 -1.03 0.00 0.00 55.69 55.31 1iqk s MET 180 Cb 0.40 0.15 -0.05 0.00 -1.53 0.00 0.00 34.83 33.80 1iqk s MET 180 CO -0.10 -0.09 -0.02 -0.59 -2.03 0.00 0.00 175.02 172.19 1iqk s PHE 181 N -0.87 1.21 -0.02 3.16 -0.12 -0.53 -4.73 117.98 116.07 1iqk s PHE 181 Ca 0.04 -0.97 -0.03 0.00 -0.05 0.00 0.00 56.93 55.92 1iqk s PHE 181 Cb -0.01 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.65 1iqk s PHE 181 CO -0.05 -0.16 0.18 0.00 -0.05 0.00 0.00 175.22 175.15 1iqk s ALA 183 N -1.30 -1.89 0.00 0.00 0.00 0.63 -2.25 121.76 116.95 1iqk s ALA 183 Ca 0.26 2.02 0.00 0.00 0.00 0.00 0.00 51.96 54.24 1iqk s ALA 183 Cb -0.13 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1iqk s ALA 183 CO 0.18 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1iqk n GLY 184 N 2.71 0.91 3.42 0.00 0.00 -0.54 -2.14 105.19 109.55 1iqk n GLY 184 Ca -0.14 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 1iqk n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqk s TYR 185 N -3.13 2.51 0.00 1.61 2.02 -1.25 -4.27 117.35 114.85 1iqk s TYR 185 Ca 0.00 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1iqk s TYR 185 Cb 0.00 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 1iqk s TYR 185 CO 0.00 0.18 0.64 -3.47 -1.57 0.00 0.00 175.55 171.33 1iqk n ASP 185 N 1.84 0.00 -0.05 2.29 4.64 -1.26 -4.44 116.55 119.57 1iqk n ASP 185 Ca -0.16 0.64 -0.10 0.00 -1.38 0.00 0.00 54.79 53.78 1iqk n ASP 185 Cb 0.52 -0.14 -0.15 0.00 -1.04 0.00 0.00 41.12 40.32 1iqk n ASP 185 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1iqk n THR 185 N -0.95 1.53 -1.63 5.18 -2.24 -1.26 -2.81 114.28 112.11 1iqk n THR 185 Ca 0.00 -0.80 -0.47 0.00 -2.27 0.00 0.00 64.05 60.50 1iqk n THR 185 Cb 0.00 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 67.31 1iqk n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1iqk n LYS 186 N -2.97 1.62 -1.07 -0.78 4.81 -1.26 -4.74 118.16 113.78 1iqk n LYS 186 Ca -0.25 0.58 -0.34 0.00 -0.87 0.00 0.00 58.31 57.42 1iqk n LYS 186 Cb 1.09 -2.19 -0.03 0.00 0.02 0.00 0.00 35.03 33.92 1iqk n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1iqk n GLN 187 N 2.18 2.06 -3.65 1.64 1.13 -1.26 -4.65 117.38 114.83 1iqk n GLN 187 Ca 0.14 -1.81 -0.15 0.00 -1.94 0.00 0.00 57.00 53.25 1iqk n GLN 187 Cb 0.27 -2.77 -0.14 0.00 0.11 0.00 0.00 30.24 27.71 1iqk n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1iqk s GLU 188 N 3.94 0.11 0.30 -1.09 2.02 -1.26 -3.80 118.70 118.91 1iqk s GLU 188 Ca 0.50 0.65 -0.13 0.00 0.02 0.00 0.00 54.97 56.01 1iqk s GLU 188 Cb 0.13 -0.19 0.05 0.00 0.10 0.00 0.00 34.13 34.22 1iqk s GLU 188 CO 0.02 -0.32 0.69 -3.47 0.02 0.00 0.00 175.26 172.20 1iqk n ASP 189 N 5.34 -1.83 -1.56 -0.19 -0.08 -1.04 -3.95 116.55 113.25 1iqk n ASP 189 Ca -0.06 -2.22 0.00 0.00 -1.51 0.00 0.00 54.79 51.00 1iqk n ASP 189 Cb 0.50 3.04 0.00 0.00 2.34 0.00 0.00 41.12 47.00 1iqk n ASP 189 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iqk n ALA 190 N -1.01 0.00 -3.99 -1.67 0.00 -1.26 -0.51 120.51 112.07 1iqk n ALA 190 Ca -0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.33 1iqk n ALA 190 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 1iqk n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqk n GLN 192 N -0.91 0.00 0.00 0.00 7.27 -1.26 -0.87 117.38 121.61 1iqk n GLN 192 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1iqk n GLN 192 Cb 0.59 -1.14 0.00 0.00 2.41 0.00 0.00 30.24 32.10 1iqk n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iqk n GLY 193 N 1.66 1.97 0.23 1.69 0.00 -1.26 -1.35 105.19 108.13 1iqk n GLY 193 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1iqk n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iqk n ASP 194 N 0.00 1.26 -4.57 1.61 10.43 -0.05 -3.76 116.55 121.47 1iqk n ASP 194 Ca 0.00 -1.01 -0.38 0.00 2.57 0.00 0.00 54.79 55.97 1iqk n ASP 194 Cb 0.00 0.45 0.04 0.00 1.84 0.00 0.00 41.12 43.46 1iqk n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1iqk n SER 195 N -0.77 0.32 0.00 -2.24 7.64 -1.26 -1.02 113.62 116.29 1iqk n SER 195 Ca 0.08 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1iqk n SER 195 Cb 0.38 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1iqk n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqk n GLY 196 N 1.41 2.16 3.34 0.23 0.00 -0.14 0.36 105.19 112.55 1iqk n GLY 196 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1iqk n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqk n GLY 197 N -0.46 -2.42 3.76 -0.02 0.00 -0.19 -3.43 105.19 102.43 1iqk n GLY 197 Ca 0.00 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1iqk n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iqk s PRO 198 N -2.30 4.49 -0.37 1.61 0.04 -1.26 -2.41 135.00 134.79 1iqk s PRO 198 Ca 0.59 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.66 1iqk s PRO 198 Cb -0.35 -3.13 0.12 0.00 0.04 0.00 0.00 34.50 31.18 1iqk s PRO 198 CO 0.64 0.00 0.16 -1.58 0.04 0.00 0.00 177.00 176.26 1iqk s HIS 199 N -1.13 2.00 0.22 0.56 2.46 -0.62 -2.87 115.29 115.92 1iqk s HIS 199 Ca 0.47 -2.17 0.05 0.00 0.47 0.00 0.00 55.06 53.88 1iqk s HIS 199 Cb -0.36 -1.89 -0.03 0.00 -0.13 0.00 0.00 32.58 30.17 1iqk s HIS 199 CO 0.47 -0.84 0.29 0.14 -2.47 0.00 0.00 174.74 172.33 1iqk s VAL 200 N 0.95 5.04 -0.07 0.89 -7.23 -0.39 -1.10 120.40 118.50 1iqk s VAL 200 Ca 0.14 -1.02 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1iqk s VAL 200 Cb -0.21 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.04 1iqk s VAL 200 CO -0.11 -0.27 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.33 1iqk s THR 201 N -1.94 1.65 0.10 5.32 2.01 0.42 -0.29 115.64 122.90 1iqk s THR 201 Ca 0.34 -0.80 -0.20 0.00 0.31 0.00 0.00 61.69 61.33 1iqk s THR 201 Cb -0.09 -1.43 -0.07 0.00 0.01 0.00 0.00 72.50 70.91 1iqk s THR 201 CO 0.28 0.47 0.61 -0.60 -0.69 0.00 0.00 174.62 174.69 1iqk s ARG 202 N 0.30 4.27 -0.26 4.92 3.52 -1.26 -0.90 118.95 129.55 1iqk s ARG 202 Ca -0.12 0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 56.28 1iqk s ARG 202 Cb -0.15 -3.23 0.15 0.00 -1.56 0.00 0.00 34.95 30.15 1iqk s ARG 202 CO 0.05 0.62 0.43 0.12 -0.81 0.00 0.00 175.30 175.71 1iqk s PHE 203 N -1.13 -1.00 -1.42 5.12 5.36 0.29 -4.92 117.98 120.28 1iqk s PHE 203 Ca 0.31 1.03 -0.10 0.00 -0.96 0.00 0.00 56.93 57.20 1iqk s PHE 203 Cb -0.20 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.65 1iqk s PHE 203 CO 0.21 -0.75 1.07 1.63 -1.46 0.00 0.00 175.22 175.91 1iqk n LYS 204 N 5.38 -6.97 -1.23 10.12 5.02 -1.26 -2.28 118.16 126.94 1iqk n LYS 204 Ca -0.03 0.77 -0.04 0.00 -2.02 0.00 0.00 58.31 56.99 1iqk n LYS 204 Cb 0.50 -5.76 -0.01 0.00 -0.02 0.00 0.00 35.03 29.74 1iqk n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iqk n ASP 205 N -2.91 -3.22 -3.86 4.39 8.00 -1.26 -5.04 116.55 112.65 1iqk n ASP 205 Ca 0.01 0.08 -0.17 0.00 0.71 0.00 0.00 54.79 55.41 1iqk n ASP 205 Cb 0.56 -1.25 -0.16 0.00 -0.02 0.00 0.00 41.12 40.25 1iqk n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iqk s THR 206 N -2.14 0.30 -0.07 -3.53 2.01 -0.96 -5.15 115.64 106.10 1iqk s THR 206 Ca 0.00 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 1iqk s THR 206 Cb 0.00 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 1iqk s THR 206 CO 0.00 0.16 0.20 -0.31 -0.69 0.00 0.00 174.62 173.97 1iqk s TYR 207 N 0.79 3.60 -0.01 4.92 1.51 -1.26 -0.55 117.35 126.35 1iqk s TYR 207 Ca -0.09 0.55 0.07 0.00 -1.01 0.00 0.00 57.07 56.59 1iqk s TYR 207 Cb -0.12 -1.96 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1iqk s TYR 207 CO -0.01 0.69 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.84 1iqk s PHE 208 N -1.14 1.95 0.05 2.71 0.08 -0.07 -3.38 117.98 118.18 1iqk s PHE 208 Ca 0.20 -0.37 -0.31 0.00 0.12 0.00 0.00 56.93 56.58 1iqk s PHE 208 Cb -0.13 -1.24 -0.07 0.00 -0.57 0.00 0.00 43.02 41.02 1iqk s PHE 208 CO 0.10 -0.01 1.43 0.08 -0.10 0.00 0.00 175.22 176.71 1iqk s VAL 209 N -0.56 3.49 0.00 -0.44 1.01 -0.62 -0.44 120.40 122.84 1iqk s VAL 209 Ca 0.08 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1iqk s VAL 209 Cb -0.08 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1iqk s VAL 209 CO -0.00 0.03 0.06 0.35 0.00 0.00 0.00 175.10 175.53 1iqk n THR 210 N 4.42 0.00 -3.61 3.92 -2.24 -0.25 -4.48 114.28 112.04 1iqk n THR 210 Ca 0.13 -0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1iqk n THR 210 Cb 0.43 1.59 -0.06 0.00 -2.10 0.00 0.00 70.33 70.18 1iqk n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqk s GLY 211 N -0.05 -0.22 -0.29 3.38 0.00 -0.87 -3.02 107.32 106.25 1iqk s GLY 211 Ca 0.00 2.37 -0.04 0.00 0.00 0.00 0.00 44.72 47.05 1iqk s GLY 211 CO 0.00 1.49 0.03 -0.42 0.00 0.00 0.00 173.10 174.20 1iqk s ILE 212 N -0.34 3.38 -0.76 0.90 1.01 -0.97 -1.58 121.20 122.84 1iqk s ILE 212 Ca 0.01 -1.06 -0.36 0.00 0.00 0.00 0.00 60.65 59.24 1iqk s ILE 212 Cb -0.03 -2.83 -0.20 0.00 0.01 0.00 0.00 42.46 39.41 1iqk s ILE 212 CO -0.02 0.00 2.39 0.52 0.00 0.00 0.00 174.94 177.83 1iqk n VAL 213 N 4.74 0.00 0.00 2.92 0.31 -1.01 -0.83 118.33 124.46 1iqk n VAL 213 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1iqk n VAL 213 Cb 0.46 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1iqk n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1iqk n SER 214 N 8.93 0.00 -3.88 4.52 2.88 -0.94 -0.96 113.62 124.16 1iqk n SER 214 Ca 0.60 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.94 1iqk n SER 214 Cb -0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1iqk n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1iqk s TRP 215 N 0.08 1.66 -0.17 0.66 1.48 -0.43 -4.86 118.94 117.36 1iqk s TRP 215 Ca 0.00 -1.42 -0.33 0.00 -1.06 0.00 0.00 56.10 53.30 1iqk s TRP 215 Cb 0.00 -0.88 0.14 0.00 -1.16 0.00 0.00 33.47 31.57 1iqk s TRP 215 CO 0.00 -0.55 1.14 0.20 -4.06 0.00 0.00 176.95 173.68 1iqk s GLY 216 N -3.42 -0.27 -0.54 3.67 0.00 -1.26 -0.99 107.32 104.51 1iqk s GLY 216 Ca 0.34 1.74 -0.18 0.00 0.00 0.00 0.00 44.72 46.62 1iqk s GLY 216 CO 0.19 0.65 0.60 -0.54 0.00 0.00 0.00 173.10 174.01 1iqk s GLU 217 N -2.14 3.04 1.80 2.90 2.02 -1.26 -4.91 118.70 120.15 1iqk s GLU 217 Ca 0.07 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.77 1iqk s GLU 217 Cb -0.01 -4.21 0.00 0.00 0.10 0.00 0.00 34.13 30.01 1iqk s GLU 217 CO -0.05 -1.35 0.00 0.41 0.02 0.00 0.00 175.26 174.29 1iqk n GLY 218 N 5.24 -1.60 2.66 -1.39 0.00 -1.26 -4.51 105.19 104.33 1iqk n GLY 218 Ca -0.10 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 1iqk n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqk n ALA 221 N 4.62 -0.02 -1.77 0.00 0.00 -1.26 -4.53 120.51 117.55 1iqk n ALA 221 Ca 0.01 0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.06 1iqk n ALA 221 Cb 0.40 -0.57 0.02 0.00 0.00 0.00 0.00 19.45 19.30 1iqk n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iqk s ARG 222 N -2.60 3.71 0.35 0.00 0.52 -1.26 -4.68 118.95 114.99 1iqk s ARG 222 Ca 0.00 2.47 -0.28 0.00 -0.52 0.00 0.00 55.73 57.40 1iqk s ARG 222 Cb 0.00 -2.69 -0.11 0.00 0.52 0.00 0.00 34.95 32.67 1iqk s ARG 222 CO 0.00 -0.82 1.47 0.21 0.02 0.00 0.00 175.30 176.18 1iqk s LYS 223 N -2.42 4.16 0.00 3.54 2.20 -1.26 -1.45 119.74 124.51 1iqk s LYS 223 Ca 0.60 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.71 1iqk s LYS 223 Cb -0.45 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1iqk s LYS 223 CO 0.58 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 1iqk n GLY 223 N 0.80 0.39 3.27 5.54 0.00 -1.12 -4.99 105.19 109.07 1iqk n GLY 223 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1iqk n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqk s LYS 224 N -0.67 1.39 0.29 1.61 3.01 -0.53 -4.78 119.74 120.06 1iqk s LYS 224 Ca 0.00 -0.99 0.02 0.00 -1.01 0.00 0.00 55.97 53.98 1iqk s LYS 224 Cb 0.00 -1.53 0.02 0.00 -1.01 0.00 0.00 37.83 35.30 1iqk s LYS 224 CO 0.00 0.39 0.13 0.66 0.51 0.00 0.00 175.35 177.04 1iqk n TYR 225 N 1.72 -0.31 -4.27 3.18 4.01 -1.26 -4.57 117.16 115.65 1iqk n TYR 225 Ca -0.17 -1.32 -0.34 0.00 -0.16 0.00 0.00 57.90 55.90 1iqk n TYR 225 Cb 0.53 -0.22 -0.13 0.00 -0.31 0.00 0.00 39.34 39.21 1iqk n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1iqk s GLY 226 N -2.81 1.64 -0.25 2.72 0.00 -0.91 -4.42 107.32 103.29 1iqk s GLY 226 Ca 0.10 -0.97 -0.09 0.00 0.00 0.00 0.00 44.72 43.75 1iqk s GLY 226 CO 0.06 0.11 0.13 -0.42 0.00 0.00 0.00 173.10 172.99 1iqk s ILE 227 N 0.82 4.93 0.36 0.90 -1.09 -0.16 -0.27 121.20 126.70 1iqk s ILE 227 Ca -0.02 0.04 0.08 0.00 -2.23 0.00 0.00 60.65 58.52 1iqk s ILE 227 Cb -0.15 -3.31 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 1iqk s ILE 227 CO 0.01 0.32 0.11 -0.31 -1.23 0.00 0.00 174.94 173.84 1iqk s TYR 228 N 1.44 2.62 -0.10 3.97 1.51 0.12 -1.32 117.35 125.58 1iqk s TYR 228 Ca 0.06 -0.47 -0.27 0.00 -1.01 0.00 0.00 57.07 55.38 1iqk s TYR 228 Cb -0.15 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1iqk s TYR 228 CO 0.06 0.34 0.88 0.99 -1.11 0.00 0.00 175.55 176.71 1iqk s THR 229 N -2.52 4.89 -1.07 -0.71 2.01 -0.01 -1.46 115.64 116.78 1iqk s THR 229 Ca 0.38 1.78 -0.24 0.00 0.31 0.00 0.00 61.69 63.92 1iqk s THR 229 Cb 0.01 -4.20 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 1iqk s THR 229 CO 0.21 0.09 1.95 -0.75 -0.69 0.00 0.00 174.62 175.43 1iqk s LYS 230 N 1.65 2.48 0.27 4.92 2.20 -1.23 -2.30 119.74 127.72 1iqk s LYS 230 Ca 0.43 -0.79 -0.01 0.00 -0.36 0.00 0.00 55.97 55.25 1iqk s LYS 230 Cb -0.18 -5.16 0.57 0.00 -1.51 0.00 0.00 37.83 31.55 1iqk s LYS 230 CO 0.18 -3.78 1.73 0.28 -0.36 0.00 0.00 175.35 173.39 1iqk h VAL 231 N 6.63 0.62 -1.27 4.02 2.07 -1.89 -1.32 116.25 125.10 1iqk h VAL 231 Ca 0.16 -0.16 0.37 0.00 0.82 0.00 0.00 66.70 67.89 1iqk h VAL 231 Cb 0.97 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.74 1iqk h VAL 231 CO 1.21 0.09 0.86 0.71 0.02 0.00 0.00 177.57 180.46 1iqk h THR 232 N 0.48 0.30 -0.10 2.57 1.35 -1.87 -1.31 112.91 114.33 1iqk h THR 232 Ca 0.48 -0.05 -0.06 0.00 -0.55 0.00 0.00 66.41 66.23 1iqk h THR 232 Cb 0.78 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1iqk h THR 232 CO -0.44 0.03 -0.16 0.00 -0.25 0.00 0.00 175.52 174.71 1iqk h ALA 233 N 1.50 0.15 -0.19 6.62 0.00 -1.63 -3.28 119.26 122.43 1iqk h ALA 233 Ca 0.70 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1iqk h ALA 233 Cb 2.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 1iqk h ALA 233 CO -0.24 0.05 0.07 1.19 0.00 0.00 0.00 179.25 180.32 1iqk n PHE 234 N -4.58 0.64 -0.17 0.00 3.72 -0.51 -4.40 117.46 112.16 1iqk n PHE 234 Ca -0.07 -0.45 -0.06 0.00 -0.05 0.00 0.00 57.45 56.81 1iqk n PHE 234 Cb 0.38 -0.30 0.10 0.00 -0.94 0.00 0.00 39.48 38.72 1iqk n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1iqk h LEU 235 N 1.02 0.92 -0.81 4.37 4.07 -1.59 0.16 115.31 123.45 1iqk h LEU 235 Ca 0.07 -0.23 -0.12 0.00 0.08 0.00 0.00 57.88 57.67 1iqk h LEU 235 Cb 1.12 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1iqk h LEU 235 CO 0.19 0.95 -0.49 0.11 -1.08 0.00 0.00 178.44 178.13 1iqk h LYS 236 N 0.89 0.26 -0.31 1.13 1.57 -1.88 -2.77 116.57 115.46 1iqk h LYS 236 Ca 0.17 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1iqk h LYS 236 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1iqk h LYS 236 CO 0.02 0.69 -0.13 2.35 -0.57 0.00 0.00 179.45 181.81 1iqk h TRP 237 N 0.21 0.72 0.00 -1.35 7.01 -1.74 -2.85 115.95 117.96 1iqk h TRP 237 Ca 0.01 -0.17 -0.02 0.00 2.11 0.00 0.00 58.89 60.82 1iqk h TRP 237 Cb 0.94 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1iqk h TRP 237 CO 0.02 0.84 -0.08 0.82 -2.79 0.00 0.00 178.44 177.26 1iqk h ILE 238 N 0.39 0.32 0.17 2.65 2.04 -0.58 -2.19 117.51 120.30 1iqk h ILE 238 Ca 0.07 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1iqk h ILE 238 Cb 0.64 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1iqk h ILE 238 CO 0.04 0.08 -0.08 0.44 0.00 0.00 0.00 178.15 178.63 1iqk h ASP 239 N 0.00 -0.19 0.00 1.72 5.19 -1.26 -2.94 116.42 118.94 1iqk h ASP 239 Ca -0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1iqk h ASP 239 Cb 0.35 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1iqk h ASP 239 CO 0.01 -0.01 0.00 -2.11 -3.12 0.00 0.00 179.24 174.01 1iqk n ARG 240 N -3.28 0.39 -0.01 3.56 1.85 -1.14 -0.15 116.66 117.88 1iqk n ARG 240 Ca -0.03 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.93 1iqk n ARG 240 Cb 0.09 -1.29 -0.15 0.00 -1.05 0.00 0.00 32.46 30.06 1iqk n ARG 240 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1iqk n SER 241 N -0.79 0.38 -1.64 2.89 2.88 -0.83 -3.53 113.62 112.99 1iqk n SER 241 Ca 0.05 -0.33 -0.11 0.00 -1.33 0.00 0.00 58.87 57.15 1iqk n SER 241 Cb 0.02 1.65 0.13 0.00 -0.75 0.00 0.00 64.21 65.26 1iqk n SER 241 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1iqk n MET 242 N -1.99 1.98 -0.18 -1.46 2.81 0.79 -1.76 117.12 117.30 1iqk n MET 242 Ca -0.01 -1.74 0.00 0.00 -1.81 0.00 0.00 57.70 54.14 1iqk n MET 242 Cb 0.48 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1iqk n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1iqk n LYS 243 N -0.31 0.00 -1.99 0.03 5.02 -1.25 -5.08 118.16 114.57 1iqk n LYS 243 Ca 0.31 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iqk n LYS 243 Cb 1.11 -0.23 0.00 0.00 -0.02 0.00 0.00 35.03 35.89 1iqk n LYS 243 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1iqk n THR 244 N 0.00 -8.17 -0.40 -0.18 -1.04 -0.72 -5.10 114.28 98.68 1iqk n THR 244 Ca 0.00 2.91 0.00 0.00 -2.04 0.00 0.00 64.05 64.92 1iqk n THR 244 Cb 0.53 -4.07 0.00 0.00 -1.82 0.00 0.00 70.33 64.97 1iqk n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29