#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqj s VAL 17 N 0.00 3.55 0.00 1.39 1.01 -0.47 -4.57 120.40 121.30 1iqj s VAL 17 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1iqj s VAL 17 Cb 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1iqj s VAL 17 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1iqj n GLY 18 N 1.22 3.10 1.31 4.51 0.00 -1.25 -3.17 105.19 110.91 1iqj n GLY 18 Ca -0.01 -0.23 0.16 0.00 0.00 0.00 0.00 46.02 45.94 1iqj n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqj n GLY 19 N 0.00 -2.14 0.00 -0.02 0.00 -1.26 -4.98 105.19 96.78 1iqj n GLY 19 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1iqj n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iqj n GLN 20 N -3.93 3.50 -4.00 1.61 1.13 -0.43 -4.97 117.38 110.30 1iqj n GLN 20 Ca -0.03 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.78 1iqj n GLN 20 Cb 0.66 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.84 1iqj n GLN 20 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1iqj s GLU 21 N 4.05 1.26 -0.12 -1.09 2.12 -1.26 -3.78 118.70 119.88 1iqj s GLU 21 Ca 0.00 -0.17 -0.31 0.00 0.36 0.00 0.00 54.97 54.85 1iqj s GLU 21 Cb 0.00 -1.34 -0.08 0.00 0.26 0.00 0.00 34.13 32.97 1iqj s GLU 21 CO 0.00 -0.21 2.07 0.00 -0.54 0.00 0.00 175.26 176.57 1iqj n LYS 23 N 7.84 -0.24 -1.70 0.00 4.76 -1.26 -4.86 118.16 122.70 1iqj n LYS 23 Ca 0.26 -1.17 -0.44 0.00 -2.87 0.00 0.00 58.31 54.10 1iqj n LYS 23 Cb 0.38 -0.52 -0.03 0.00 -1.84 0.00 0.00 35.03 33.01 1iqj n LYS 23 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1iqj n ASP 24 N -3.21 3.69 -3.77 4.39 4.64 -1.26 -2.53 116.55 118.49 1iqj n ASP 24 Ca 0.08 1.06 -0.29 0.00 -1.38 0.00 0.00 54.79 54.26 1iqj n ASP 24 Cb 0.29 -1.52 -0.02 0.00 -1.04 0.00 0.00 41.12 38.84 1iqj n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1iqj n GLY 25 N 3.82 -0.47 0.02 0.27 0.00 -1.26 -4.81 105.19 102.77 1iqj n GLY 25 Ca 0.17 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.34 1iqj n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iqj n GLU 26 N -4.00 3.52 -2.71 1.61 2.13 -1.05 -4.59 120.64 115.55 1iqj n GLU 26 Ca 0.04 -0.06 -0.05 0.00 0.66 0.00 0.00 57.16 57.75 1iqj n GLU 26 Cb 0.51 -0.99 0.08 0.00 0.27 0.00 0.00 31.44 31.31 1iqj n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iqj n PRO 28 N -0.58 0.00 0.00 0.00 -0.04 -1.26 -1.37 135.00 131.75 1iqj n PRO 28 Ca 0.01 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 1iqj n PRO 28 Cb 0.83 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.83 1iqj n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1iqj n TRP 29 N -1.44 0.01 -1.78 0.54 2.14 -1.22 -1.04 117.44 114.65 1iqj n TRP 29 Ca 0.00 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.16 1iqj n TRP 29 Cb 0.00 -0.13 -0.02 0.00 -0.81 0.00 0.00 31.31 30.36 1iqj n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1iqj s GLN 30 N -3.01 4.13 -0.01 -2.67 2.00 -0.47 -1.45 119.66 118.17 1iqj s GLN 30 Ca 0.09 2.57 -0.01 0.00 -2.00 0.00 0.00 55.36 56.01 1iqj s GLN 30 Cb 0.17 -3.03 0.00 0.00 0.80 0.00 0.00 33.01 30.95 1iqj s GLN 30 CO 0.80 -0.63 0.03 0.00 -0.50 0.00 0.00 175.29 174.99 1iqj s ALA 31 N 0.00 -0.07 -0.04 1.58 0.00 -0.94 -4.34 121.76 117.95 1iqj s ALA 31 Ca 0.63 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1iqj s ALA 31 Cb -0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1iqj s ALA 31 CO 0.48 -0.03 -0.20 -1.17 0.00 0.00 0.00 175.76 174.83 1iqj s LEU 32 N -0.12 2.38 -0.28 0.00 2.96 -0.53 -0.20 118.68 122.87 1iqj s LEU 32 Ca -0.02 -0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 1iqj s LEU 32 Cb -0.01 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 1iqj s LEU 32 CO -0.00 0.32 0.18 -0.76 -1.32 0.00 0.00 176.35 174.78 1iqj s LEU 33 N -0.60 4.03 0.09 -0.68 1.43 -0.62 0.18 118.68 122.51 1iqj s LEU 33 Ca 0.09 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1iqj s LEU 33 Cb -0.11 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1iqj s LEU 33 CO 0.00 -0.07 0.20 0.27 0.23 0.00 0.00 176.35 176.98 1iqj s ILE 34 N 1.74 5.17 0.61 -0.59 -4.36 0.17 -1.19 121.20 122.76 1iqj s ILE 34 Ca 0.07 -0.57 0.06 0.00 -0.26 0.00 0.00 60.65 59.94 1iqj s ILE 34 Cb -0.16 -3.56 0.09 0.00 1.25 0.00 0.00 42.46 40.08 1iqj s ILE 34 CO 0.10 0.06 0.84 0.54 0.24 0.00 0.00 174.94 176.73 1iqj s ASN 35 N -2.71 4.89 0.21 4.36 2.20 0.77 -0.33 114.94 124.34 1iqj s ASN 35 Ca 0.34 -0.62 0.16 0.00 -0.94 0.00 0.00 52.86 51.79 1iqj s ASN 35 Cb -0.12 0.07 0.81 0.00 -2.00 0.00 0.00 41.25 40.01 1iqj s ASN 35 CO 0.27 -1.47 1.48 -0.62 -2.94 0.00 0.00 177.10 173.82 1iqj n GLU 36 N -2.42 0.10 -0.48 3.55 1.02 -1.25 0.15 120.64 121.32 1iqj n GLU 36 Ca 0.15 0.56 0.10 0.00 -0.02 0.00 0.00 57.16 57.95 1iqj n GLU 36 Cb 0.61 -1.80 0.34 0.00 -0.02 0.00 0.00 31.44 30.56 1iqj n GLU 36 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1iqj n GLU 37 N -2.01 3.22 -0.44 3.49 4.71 -1.26 -4.92 120.64 123.43 1iqj n GLU 37 Ca -0.00 -2.76 0.00 0.00 -0.01 0.00 0.00 57.16 54.39 1iqj n GLU 37 Cb 0.06 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 28.77 1iqj n GLU 37 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1iqj n ASN 38 N 1.35 0.00 -4.76 1.62 2.85 0.40 -4.96 115.26 111.76 1iqj n ASN 38 Ca 0.25 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.31 1iqj n ASN 38 Cb 0.75 -1.33 -0.03 0.00 1.24 0.00 0.00 39.78 40.41 1iqj n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1iqj s GLU 39 N -0.40 4.39 -0.31 1.20 2.02 -1.25 -4.47 118.70 119.88 1iqj s GLU 39 Ca 0.00 2.14 -0.25 0.00 0.02 0.00 0.00 54.97 56.88 1iqj s GLU 39 Cb 0.00 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 31.12 1iqj s GLU 39 CO 0.00 -0.16 0.88 0.20 0.02 0.00 0.00 175.26 176.20 1iqj s GLY 40 N -0.33 1.66 -0.06 -1.39 0.00 -1.26 -0.16 107.32 105.78 1iqj s GLY 40 Ca 0.50 -0.31 0.16 0.00 0.00 0.00 0.00 44.72 45.08 1iqj s GLY 40 CO 0.48 1.92 0.28 1.97 0.00 0.00 0.00 173.10 177.75 1iqj n PHE 41 N 6.42 0.00 -4.14 1.90 1.16 -0.33 -4.99 117.46 117.49 1iqj n PHE 41 Ca 0.06 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.48 1iqj n PHE 41 Cb 0.48 -0.49 -0.05 0.00 -1.61 0.00 0.00 39.48 37.81 1iqj n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iqj n GLY 43 N -0.58 3.03 3.69 0.00 0.00 0.22 -1.59 105.19 109.95 1iqj n GLY 43 Ca 0.03 -2.22 0.03 0.00 0.00 0.00 0.00 46.02 43.85 1iqj n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqj s GLY 44 N -2.43 -0.38 -0.06 -0.02 0.00 0.72 -3.99 107.32 101.16 1iqj s GLY 44 Ca 0.10 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1iqj s GLY 44 CO 0.06 1.49 -0.04 -1.59 0.00 0.00 0.00 173.10 173.02 1iqj s THR 45 N -2.21 0.60 -0.52 0.90 2.01 0.80 -2.21 115.64 115.02 1iqj s THR 45 Ca 0.18 -0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.79 1iqj s THR 45 Cb 0.05 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1iqj s THR 45 CO -0.04 0.26 1.58 -0.63 -0.69 0.00 0.00 174.62 175.09 1iqj s ILE 46 N 1.21 3.65 -0.09 1.82 1.01 -0.53 -0.02 121.20 128.25 1iqj s ILE 46 Ca -0.06 0.55 -0.07 0.00 0.00 0.00 0.00 60.65 61.07 1iqj s ILE 46 Cb -0.14 -4.18 -0.28 0.00 0.01 0.00 0.00 42.46 37.88 1iqj s ILE 46 CO -0.02 -0.95 0.50 -0.07 0.00 0.00 0.00 174.94 174.40 1iqj h LEU 47 N 13.84 0.47 -8.42 2.97 3.38 -1.57 -1.39 115.31 124.59 1iqj h LEU 47 Ca -0.28 -0.89 -0.17 0.00 0.09 0.00 0.00 57.88 56.63 1iqj h LEU 47 Cb 1.12 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 1iqj h LEU 47 CO 1.15 1.78 -0.25 -0.94 0.09 0.00 0.00 178.44 180.27 1iqj s SER 48 N -7.08 0.31 0.64 -0.43 1.04 -0.89 -4.48 113.70 102.82 1iqj s SER 48 Ca -0.19 -1.22 0.39 0.00 0.48 0.00 0.00 55.95 55.41 1iqj s SER 48 Cb 0.06 0.57 2.20 0.00 0.10 0.00 0.00 66.02 68.95 1iqj s SER 48 CO 0.80 -1.13 2.31 1.05 0.98 0.00 0.00 173.24 177.26 1iqj h GLU 49 N 2.28 0.00 0.00 4.02 4.11 -1.95 -2.97 114.58 120.08 1iqj h GLU 49 Ca -0.29 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.04 1iqj h GLU 49 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1iqj h GLU 49 CO 0.40 0.00 -1.56 1.19 0.07 0.00 0.00 179.01 179.12 1iqj n PHE 50 N -3.33 0.00 -4.81 2.06 3.72 -1.26 0.16 117.46 114.00 1iqj n PHE 50 Ca -0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.04 1iqj n PHE 50 Cb 0.10 -0.36 -0.13 0.00 -0.94 0.00 0.00 39.48 38.15 1iqj n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1iqj s TYR 51 N -2.41 2.77 -0.10 1.38 2.02 -1.12 0.29 117.35 120.19 1iqj s TYR 51 Ca -0.04 -0.23 0.04 0.00 -0.37 0.00 0.00 57.07 56.47 1iqj s TYR 51 Cb 0.04 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1iqj s TYR 51 CO 0.39 0.13 -0.23 0.42 -1.57 0.00 0.00 175.55 174.68 1iqj s ILE 52 N -0.50 1.98 -0.18 2.71 -1.09 0.03 -1.59 121.20 122.55 1iqj s ILE 52 Ca 0.07 -0.97 -0.17 0.00 -2.23 0.00 0.00 60.65 57.35 1iqj s ILE 52 Cb -0.12 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 1iqj s ILE 52 CO 0.02 0.54 0.44 -0.22 -1.23 0.00 0.00 174.94 174.49 1iqj s LEU 53 N 0.35 4.18 0.30 2.97 2.96 0.97 -0.39 118.68 130.01 1iqj s LEU 53 Ca -0.18 0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 1iqj s LEU 53 Cb -0.18 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 1iqj s LEU 53 CO 0.08 -0.08 0.37 0.28 -1.32 0.00 0.00 176.35 175.68 1iqj s THR 54 N 1.23 0.00 0.06 3.68 -1.32 -0.57 -0.14 115.64 118.58 1iqj s THR 54 Ca 0.21 -1.73 -0.25 0.00 -1.21 0.00 0.00 61.69 58.71 1iqj s THR 54 Cb -0.15 -2.52 -0.06 0.00 -1.51 0.00 0.00 72.50 68.27 1iqj s THR 54 CO 0.09 0.00 0.78 0.00 -2.21 0.00 0.00 174.62 173.27 1iqj s ALA 55 N -3.50 3.37 0.24 11.08 0.00 -1.26 0.46 121.76 132.14 1iqj s ALA 55 Ca 0.33 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 1iqj s ALA 55 Cb 0.02 -3.01 0.33 0.00 0.00 0.00 0.00 23.12 20.46 1iqj s ALA 55 CO 0.18 0.09 1.83 0.00 0.00 0.00 0.00 175.76 177.86 1iqj h ALA 56 N 5.52 1.13 0.00 0.00 0.00 -1.75 -1.71 119.26 122.44 1iqj h ALA 56 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1iqj h ALA 56 Cb 1.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1iqj h ALA 56 CO 0.70 0.19 0.00 -2.39 0.00 0.00 0.00 179.25 177.75 1iqj n HIS 57 N -4.68 0.00 0.31 0.00 1.44 -1.26 -1.87 115.22 109.15 1iqj n HIS 57 Ca 0.12 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.95 1iqj n HIS 57 Cb 0.20 -0.44 0.21 0.00 0.12 0.00 0.00 29.99 30.08 1iqj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1iqj n LEU 59 N -2.88 1.09 0.00 0.00 4.77 -0.78 -3.44 117.00 115.76 1iqj n LEU 59 Ca 0.04 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1iqj n LEU 59 Cb 0.51 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1iqj n LEU 59 CO 0.34 0.24 -0.47 -1.22 -1.33 0.00 0.00 177.39 174.94 1iqj n TYR 60 N 0.19 0.00 0.80 -1.77 0.53 -1.23 -4.70 117.16 110.98 1iqj n TYR 60 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1iqj n TYR 60 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.55 1iqj n TYR 60 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1iqj n GLN 61 N -2.08 0.93 -3.64 -0.72 3.00 -1.22 -4.69 117.38 108.97 1iqj n GLN 61 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1iqj n GLN 61 Cb 0.47 -1.03 -0.07 0.00 0.00 0.00 0.00 30.24 29.61 1iqj n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1iqj s ALA 61 N 0.07 -2.02 -0.06 -1.58 0.00 -1.26 -5.02 121.76 111.90 1iqj s ALA 61 Ca 0.00 1.84 -0.18 0.00 0.00 0.00 0.00 51.96 53.62 1iqj s ALA 61 Cb 0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 23.12 21.32 1iqj s ALA 61 CO 0.00 -0.21 0.78 -0.22 0.00 0.00 0.00 175.76 176.11 1iqj h LYS 62 N 4.00 0.32 -2.74 0.00 3.64 -1.93 -3.45 116.57 116.41 1iqj h LYS 62 Ca -0.28 -0.54 -0.21 0.00 -1.27 0.00 0.00 60.65 58.35 1iqj h LYS 62 Cb 1.18 0.20 -0.32 0.00 -0.41 0.00 0.00 32.23 32.88 1iqj h LYS 62 CO 0.12 1.26 -0.52 0.50 -2.27 0.00 0.00 179.45 178.54 1iqj s ARG 63 N -2.47 0.18 0.39 1.90 3.00 -1.26 -5.12 118.95 115.56 1iqj s ARG 63 Ca -0.15 0.72 0.04 0.00 -1.00 0.00 0.00 55.73 55.34 1iqj s ARG 63 Cb 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 34.95 34.80 1iqj s ARG 63 CO 0.82 -0.34 0.06 -0.59 0.00 0.00 0.00 175.30 175.26 1iqj s PHE 64 N 2.44 2.00 0.29 5.12 -0.71 -1.26 -3.76 117.98 122.10 1iqj s PHE 64 Ca 0.02 -0.99 0.02 0.00 -1.04 0.00 0.00 56.93 54.95 1iqj s PHE 64 Cb -0.13 -1.39 -0.05 0.00 -1.21 0.00 0.00 43.02 40.24 1iqj s PHE 64 CO -0.10 0.04 0.09 0.15 -1.34 0.00 0.00 175.22 174.06 1iqj s LYS 65 N -3.82 1.53 -0.20 1.99 1.02 0.55 -4.63 119.74 116.18 1iqj s LYS 65 Ca 0.29 -1.84 0.01 0.00 0.02 0.00 0.00 55.97 54.44 1iqj s LYS 65 Cb 0.06 -0.48 0.04 0.00 -0.52 0.00 0.00 37.83 36.94 1iqj s LYS 65 CO 0.14 -0.28 -0.11 0.54 -0.92 0.00 0.00 175.35 174.72 1iqj s VAL 66 N -3.56 1.72 0.12 3.17 0.11 -0.94 0.43 120.40 121.43 1iqj s VAL 66 Ca 0.37 -1.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.24 1iqj s VAL 66 Cb 0.08 -1.78 -0.06 0.00 -1.53 0.00 0.00 36.38 33.09 1iqj s VAL 66 CO 0.15 0.17 0.46 -0.60 -3.33 0.00 0.00 175.10 171.95 1iqj s ARG 67 N 1.36 3.83 0.06 1.54 3.52 0.13 -1.33 118.95 128.06 1iqj s ARG 67 Ca -0.02 0.27 -0.05 0.00 -0.13 0.00 0.00 55.73 55.81 1iqj s ARG 67 Cb -0.16 -2.94 -0.02 0.00 -1.56 0.00 0.00 34.95 30.27 1iqj s ARG 67 CO -0.08 0.51 0.08 0.14 -0.81 0.00 0.00 175.30 175.13 1iqj s VAL 68 N -1.47 0.18 -0.86 7.11 -7.23 -0.70 -1.46 120.40 115.98 1iqj s VAL 68 Ca 0.36 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1iqj s VAL 68 Cb -0.14 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1iqj s VAL 68 CO 0.19 -0.80 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 1iqj n GLY 69 N 0.15 0.36 3.31 2.32 0.00 -1.25 -2.02 105.19 108.06 1iqj n GLY 69 Ca -0.15 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1iqj n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqj s ASP 70 N -2.69 3.97 -0.07 1.61 -1.08 -1.26 -2.34 116.67 114.81 1iqj s ASP 70 Ca 0.00 -0.40 0.10 0.00 -0.52 0.00 0.00 52.55 51.73 1iqj s ASP 70 Cb 0.00 -1.63 -0.15 0.00 -1.46 0.00 0.00 42.92 39.68 1iqj s ASP 70 CO 0.00 0.08 0.12 0.54 0.52 0.00 0.00 175.17 176.43 1iqj n ARG 71 N 4.11 1.47 -4.02 4.34 1.74 -1.26 -4.82 116.66 118.22 1iqj n ARG 71 Ca -0.19 -0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.58 1iqj n ARG 71 Cb 0.52 -1.27 -0.17 0.00 -1.02 0.00 0.00 32.46 30.52 1iqj n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1iqj s ASN 72 N -3.87 2.19 -0.46 0.55 3.84 -1.26 -0.49 114.94 115.45 1iqj s ASN 72 Ca -0.05 -0.33 -0.04 0.00 0.21 0.00 0.00 52.86 52.66 1iqj s ASN 72 Cb 0.05 -0.89 0.07 0.00 -0.55 0.00 0.00 41.25 39.94 1iqj s ASN 72 CO 0.44 -0.09 2.73 0.35 -2.79 0.00 0.00 177.10 177.75 1iqj n THR 73 N 4.75 3.31 0.20 -5.21 -2.24 0.31 -4.17 114.28 111.24 1iqj n THR 73 Ca -0.15 -2.99 0.00 0.00 -2.27 0.00 0.00 64.05 58.65 1iqj n THR 73 Cb 0.50 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 1iqj n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iqj n GLU 74 N 0.82 0.00 -2.77 -0.78 1.02 -1.26 -4.96 120.64 112.70 1iqj n GLU 74 Ca 0.48 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.20 1iqj n GLU 74 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.93 1iqj n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1iqj s GLN 75 N -1.87 4.14 -0.09 3.49 1.11 -1.26 -5.00 119.66 120.18 1iqj s GLN 75 Ca 0.00 1.04 -0.30 0.00 0.01 0.00 0.00 55.36 56.11 1iqj s GLN 75 Cb 0.00 -3.68 -0.04 0.00 -1.01 0.00 0.00 33.01 28.28 1iqj s GLN 75 CO 0.00 -0.66 1.53 -2.00 0.01 0.00 0.00 175.29 174.17 1iqj s GLU 76 N 3.15 4.19 0.00 2.91 2.56 -1.26 -4.73 118.70 125.51 1iqj s GLU 76 Ca 0.39 2.01 0.00 0.00 0.00 0.00 0.00 54.97 57.37 1iqj s GLU 76 Cb -0.14 -3.92 0.00 0.00 2.00 0.00 0.00 34.13 32.07 1iqj s GLU 76 CO 0.10 -0.82 0.00 0.39 -0.56 0.00 0.00 175.26 174.37 1iqj n GLU 77 N 6.98 0.03 0.00 4.30 1.02 -1.26 -5.09 120.64 126.62 1iqj n GLU 77 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1iqj n GLU 77 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 1iqj n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iqj n GLY 78 N 5.00 0.00 0.04 0.62 0.00 -1.26 -4.90 105.19 104.69 1iqj n GLY 78 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1iqj n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqj n GLY 79 N 0.02 -1.07 3.29 -0.02 0.00 -1.26 -4.88 105.19 101.28 1iqj n GLY 79 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1iqj n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iqj n GLU 80 N -1.06 -3.94 0.00 1.61 4.71 -0.99 -4.50 120.64 116.46 1iqj n GLU 80 Ca 0.18 -1.16 0.00 0.00 -0.01 0.00 0.00 57.16 56.17 1iqj n GLU 80 Cb 0.21 -1.98 0.00 0.00 -1.01 0.00 0.00 31.44 28.66 1iqj n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1iqj n ALA 81 N -5.49 0.00 -2.89 0.62 0.00 -0.86 -4.92 120.51 106.97 1iqj n ALA 81 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 1iqj n ALA 81 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 1iqj n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iqj s VAL 82 N -0.20 5.32 0.18 0.00 1.01 -1.26 -1.72 120.40 123.73 1iqj s VAL 82 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1iqj s VAL 82 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1iqj s VAL 82 CO 0.00 0.29 -0.03 -1.00 0.00 0.00 0.00 175.10 174.36 1iqj s HIS 83 N -1.34 1.34 -0.08 5.22 3.76 -0.45 -5.00 115.29 118.74 1iqj s HIS 83 Ca 0.28 -0.91 0.05 0.00 -0.15 0.00 0.00 55.06 54.33 1iqj s HIS 83 Cb -0.13 -0.75 -0.01 0.00 1.11 0.00 0.00 32.58 32.81 1iqj s HIS 83 CO 0.20 -0.07 -0.23 -1.21 -0.85 0.00 0.00 174.74 172.57 1iqj s GLU 84 N -3.85 2.78 0.06 1.40 2.02 -1.26 -2.22 118.70 117.63 1iqj s GLU 84 Ca 0.23 -0.87 -0.31 0.00 0.02 0.00 0.00 54.97 54.04 1iqj s GLU 84 Cb 0.05 -2.25 -0.08 0.00 0.10 0.00 0.00 34.13 31.95 1iqj s GLU 84 CO 0.04 0.31 1.56 0.08 0.02 0.00 0.00 175.26 177.28 1iqj s VAL 85 N 0.03 3.20 -0.11 2.63 1.01 -1.26 -1.63 120.40 124.27 1iqj s VAL 85 Ca -0.09 0.67 -0.08 0.00 0.00 0.00 0.00 61.98 62.49 1iqj s VAL 85 Cb -0.15 -3.43 -0.27 0.00 0.00 0.00 0.00 36.38 32.53 1iqj s VAL 85 CO 0.06 0.00 0.41 -0.08 0.00 0.00 0.00 175.10 175.49 1iqj h GLU 86 N 8.00 0.28 -2.74 2.72 4.81 0.05 -3.45 114.58 124.25 1iqj h GLU 86 Ca -0.41 -0.48 -0.14 0.00 -0.13 0.00 0.00 59.36 58.20 1iqj h GLU 86 Cb 1.20 0.18 -0.27 0.00 0.63 0.00 0.00 28.75 30.48 1iqj h GLU 86 CO 0.92 1.23 -0.34 0.14 -0.73 0.00 0.00 179.01 180.22 1iqj s VAL 87 N -2.56 -0.03 0.05 0.32 -7.23 -1.12 -5.02 120.40 104.81 1iqj s VAL 87 Ca -0.22 0.11 -0.14 0.00 -1.81 0.00 0.00 61.98 59.93 1iqj s VAL 87 Cb 0.06 -0.55 -0.06 0.00 0.56 0.00 0.00 36.38 36.39 1iqj s VAL 87 CO 0.78 0.04 0.44 0.68 -0.31 0.00 0.00 175.10 176.73 1iqj s VAL 88 N 1.38 5.00 -0.58 1.32 -7.23 -1.26 -1.65 120.40 117.38 1iqj s VAL 88 Ca -0.09 0.75 0.04 0.00 -1.81 0.00 0.00 61.98 60.87 1iqj s VAL 88 Cb -0.09 -3.71 0.15 0.00 0.56 0.00 0.00 36.38 33.29 1iqj s VAL 88 CO -0.12 0.44 0.37 -0.63 -0.31 0.00 0.00 175.10 174.85 1iqj s ILE 89 N -1.23 2.32 0.18 -0.62 1.01 -0.65 -4.99 121.20 117.22 1iqj s ILE 89 Ca 0.29 -3.55 -0.28 0.00 0.00 0.00 0.00 60.65 57.11 1iqj s ILE 89 Cb -0.16 -2.57 -0.08 0.00 0.01 0.00 0.00 42.46 39.66 1iqj s ILE 89 CO 0.16 -0.94 0.87 -0.75 0.00 0.00 0.00 174.94 174.27 1iqj s LYS 90 N -0.66 4.70 -0.14 2.79 2.20 -1.26 -1.52 119.74 125.85 1iqj s LYS 90 Ca 0.22 1.32 -0.29 0.00 -0.36 0.00 0.00 55.97 56.86 1iqj s LYS 90 Cb -0.14 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1iqj s LYS 90 CO -0.09 0.49 1.63 -1.58 -0.36 0.00 0.00 175.35 175.44 1iqj s HIS 91 N -0.94 2.06 0.19 4.03 5.65 -1.14 -4.89 115.29 120.25 1iqj s HIS 91 Ca 0.39 0.42 -0.23 0.00 0.25 0.00 0.00 55.06 55.89 1iqj s HIS 91 Cb -0.24 -3.92 0.09 0.00 -1.18 0.00 0.00 32.58 27.33 1iqj s HIS 91 CO 0.29 -3.30 1.56 -2.95 -0.65 0.00 0.00 174.74 169.69 1iqj h ASN 92 N 10.18 -1.49 0.00 9.88 -0.00 -1.94 -1.28 115.58 130.94 1iqj h ASN 92 Ca -0.36 0.27 0.00 0.00 -0.00 0.00 0.00 56.30 56.21 1iqj h ASN 92 Cb 1.16 0.71 0.00 0.00 -0.00 0.00 0.00 38.32 40.19 1iqj h ASN 92 CO 0.98 -0.31 0.00 0.54 -0.00 0.00 0.00 177.43 178.64 1iqj n ARG 93 N -5.41 0.00 -2.19 4.14 5.12 -1.26 -4.81 116.66 112.24 1iqj n ARG 93 Ca 0.04 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.60 1iqj n ARG 93 Cb 0.35 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 1iqj n ARG 93 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1iqj s PHE 94 N -1.83 2.68 -0.17 -1.55 5.36 -0.49 -4.74 117.98 117.25 1iqj s PHE 94 Ca 0.00 1.53 -0.05 0.00 -0.96 0.00 0.00 56.93 57.45 1iqj s PHE 94 Cb 0.00 -3.38 0.08 0.00 -0.34 0.00 0.00 43.02 39.38 1iqj s PHE 94 CO 0.00 -1.73 0.29 0.95 -1.46 0.00 0.00 175.22 173.27 1iqj s THR 95 N -1.63 -0.45 0.54 0.12 -4.23 -1.22 -5.00 115.64 103.78 1iqj s THR 95 Ca 0.70 0.14 0.22 0.00 -1.18 0.00 0.00 61.69 61.57 1iqj s THR 95 Cb -0.28 -0.56 0.32 0.00 1.34 0.00 0.00 72.50 73.32 1iqj s THR 95 CO 0.32 0.01 2.14 0.07 -0.54 0.00 0.00 174.62 176.62 1iqj h LYS 96 N 8.27 0.00 0.00 3.99 -0.00 -1.96 0.73 116.57 127.60 1iqj h LYS 96 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.49 1iqj h LYS 96 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.36 1iqj h LYS 96 CO 0.18 0.00 0.00 1.05 -0.00 0.00 0.00 179.45 180.68 1iqj h GLU 97 N 0.00 0.00 0.00 0.07 9.09 -2.00 -3.29 114.58 118.45 1iqj h GLU 97 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 1iqj h GLU 97 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 1iqj h GLU 97 CO -0.00 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.31 1iqj n THR 98 N -2.69 0.00 -2.87 -1.06 -2.24 -0.44 -5.02 114.28 99.96 1iqj n THR 98 Ca -0.01 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1iqj n THR 98 Cb 0.13 0.75 0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1iqj n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iqj n TYR 99 N 0.00 -1.62 -3.53 4.78 4.02 0.24 -4.97 117.16 116.09 1iqj n TYR 99 Ca 0.00 0.42 -0.37 0.00 -0.01 0.00 0.00 57.90 57.94 1iqj n TYR 99 Cb 0.00 -3.96 -0.07 0.00 -0.02 0.00 0.00 39.34 35.29 1iqj n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1iqj s ASP 100 N -2.72 6.50 -0.43 7.72 2.15 -1.23 -3.89 116.67 124.76 1iqj s ASP 100 Ca 0.24 0.59 -0.03 0.00 0.43 0.00 0.00 52.55 53.78 1iqj s ASP 100 Cb -0.11 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1iqj s ASP 100 CO 0.30 0.13 0.38 0.49 -0.17 0.00 0.00 175.17 176.30 1iqj n PHE 101 N 3.30 -0.91 -2.17 -5.34 3.01 -1.26 -3.43 117.46 110.65 1iqj n PHE 101 Ca -0.12 0.32 -0.32 0.00 1.01 0.00 0.00 57.45 58.35 1iqj n PHE 101 Cb 0.52 -2.32 -0.04 0.00 -0.01 0.00 0.00 39.48 37.63 1iqj n PHE 101 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1iqj s ASP 102 N -3.12 5.48 -0.23 4.37 2.15 -1.25 -4.56 116.67 119.51 1iqj s ASP 102 Ca 0.18 -0.69 -0.28 0.00 0.43 0.00 0.00 52.55 52.20 1iqj s ASP 102 Cb -0.08 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.13 1iqj s ASP 102 CO 0.23 -2.41 1.12 -0.51 -0.17 0.00 0.00 175.17 173.43 1iqj s ILE 103 N 8.73 0.00 0.15 4.11 2.07 -1.26 -4.32 121.20 130.68 1iqj s ILE 103 Ca 0.63 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.71 1iqj s ILE 103 Cb -0.06 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.56 1iqj s ILE 103 CO 0.01 0.00 0.43 0.00 -1.91 0.00 0.00 174.94 173.47 1iqj s ALA 104 N -0.52 -0.87 -0.08 1.50 0.00 0.17 -2.86 121.76 119.10 1iqj s ALA 104 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1iqj s ALA 104 Cb -0.03 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.88 1iqj s ALA 104 CO -0.04 -0.69 -0.03 0.08 0.00 0.00 0.00 175.76 175.08 1iqj s VAL 105 N -3.84 0.56 -0.25 0.00 1.01 -0.58 -1.52 120.40 115.79 1iqj s VAL 105 Ca 0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 1iqj s VAL 105 Cb 0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1iqj s VAL 105 CO -0.08 0.28 0.43 -0.76 0.00 0.00 0.00 175.10 174.97 1iqj s LEU 106 N 1.72 4.07 -0.25 3.92 1.43 0.47 -1.64 118.68 128.39 1iqj s LEU 106 Ca 0.02 0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.36 1iqj s LEU 106 Cb -0.13 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1iqj s LEU 106 CO -0.05 -0.20 0.54 -0.60 0.23 0.00 0.00 176.35 176.27 1iqj s ARG 107 N 2.00 4.09 0.45 1.70 6.06 -0.66 -0.79 118.95 131.79 1iqj s ARG 107 Ca 0.18 0.37 -0.09 0.00 -2.50 0.00 0.00 55.73 53.69 1iqj s ARG 107 Cb -0.16 -3.64 -0.05 0.00 0.06 0.00 0.00 34.95 31.16 1iqj s ARG 107 CO 0.09 -0.35 0.80 -0.51 -2.50 0.00 0.00 175.30 172.84 1iqj s LEU 108 N 2.29 3.71 0.04 -0.88 1.43 0.15 0.73 118.68 126.15 1iqj s LEU 108 Ca 0.22 1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 54.35 1iqj s LEU 108 Cb -0.16 -4.03 -0.31 0.00 0.03 0.00 0.00 46.19 41.73 1iqj s LEU 108 CO 0.09 -0.50 1.00 0.50 0.23 0.00 0.00 176.35 177.67 1iqj h LYS 109 N 0.80 0.36 -5.26 1.70 3.64 -1.62 -3.43 116.57 112.77 1iqj h LYS 109 Ca -0.47 -0.62 -0.64 0.00 -1.27 0.00 0.00 60.65 57.65 1iqj h LYS 109 Cb 1.19 0.23 -0.24 0.00 -0.41 0.00 0.00 32.23 33.01 1iqj h LYS 109 CO 0.63 1.28 -0.70 0.99 -2.27 0.00 0.00 179.45 179.38 1iqj s THR 110 N -2.62 3.64 0.53 1.00 2.01 -1.26 -5.08 115.64 113.86 1iqj s THR 110 Ca -0.07 -0.44 -0.22 0.00 0.31 0.00 0.00 61.69 61.26 1iqj s THR 110 Cb 0.06 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1iqj s THR 110 CO 0.90 0.49 1.37 -0.81 -0.69 0.00 0.00 174.62 175.88 1iqj n PRO 111 N 3.73 1.79 -2.62 4.92 -0.04 -1.26 -4.86 135.00 136.65 1iqj n PRO 111 Ca -0.18 0.65 -0.41 0.00 -0.04 0.00 0.00 63.50 63.53 1iqj n PRO 111 Cb 0.52 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.35 1iqj n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1iqj s ILE 112 N -1.27 4.15 -0.51 0.52 1.01 0.43 -4.99 121.20 120.53 1iqj s ILE 112 Ca 0.70 1.84 -0.14 0.00 0.00 0.00 0.00 60.65 63.04 1iqj s ILE 112 Cb -0.42 -4.17 0.12 0.00 0.01 0.00 0.00 42.46 38.00 1iqj s ILE 112 CO 0.50 0.31 0.45 0.42 0.00 0.00 0.00 174.94 176.62 1iqj s THR 113 N -0.19 4.99 -0.06 2.92 -4.23 -1.26 -4.71 115.64 113.09 1iqj s THR 113 Ca 0.48 -1.50 -0.32 0.00 -1.18 0.00 0.00 61.69 59.17 1iqj s THR 113 Cb -0.27 -4.18 -0.10 0.00 1.34 0.00 0.00 72.50 69.30 1iqj s THR 113 CO 0.32 -0.80 1.99 0.49 -0.54 0.00 0.00 174.62 176.08 1iqj n PHE 114 N 5.17 2.33 -4.00 3.99 3.72 -1.26 -4.95 117.46 122.46 1iqj n PHE 114 Ca -0.13 -0.18 -0.11 0.00 -0.05 0.00 0.00 57.45 56.99 1iqj n PHE 114 Cb 0.41 -2.73 -0.03 0.00 -0.94 0.00 0.00 39.48 36.18 1iqj n PHE 114 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1iqj s ARG 115 N 4.68 1.82 0.21 -1.08 3.03 -0.74 -5.01 118.95 121.86 1iqj s ARG 115 Ca 0.93 -1.48 -0.24 0.00 2.03 0.00 0.00 55.73 56.97 1iqj s ARG 115 Cb -0.54 0.49 -0.15 0.00 -1.03 0.00 0.00 34.95 33.72 1iqj s ARG 115 CO 0.45 -0.78 0.40 -0.12 -1.13 0.00 0.00 175.30 174.12 1iqj n MET 116 N -0.48 0.00 -1.81 3.89 0.00 -1.26 0.44 117.12 117.90 1iqj n MET 116 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.70 57.48 1iqj n MET 116 Cb 0.61 -0.90 -0.07 0.00 0.00 0.00 0.00 33.22 32.87 1iqj n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1iqj n ASN 117 N 1.85 -5.56 -3.30 6.12 5.03 -1.26 -4.90 115.26 113.23 1iqj n ASN 117 Ca 0.15 0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.97 1iqj n ASN 117 Cb 0.25 -4.79 -0.03 0.00 -1.02 0.00 0.00 39.78 34.19 1iqj n ASN 117 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1iqj s VAL 118 N -2.83 -0.91 -0.01 2.41 1.01 0.17 -3.82 120.40 116.42 1iqj s VAL 118 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1iqj s VAL 118 Cb 0.00 -0.95 0.10 0.00 0.00 0.00 0.00 36.38 35.54 1iqj s VAL 118 CO 0.00 -0.02 0.92 0.00 0.00 0.00 0.00 175.10 176.00 1iqj s ALA 119 N 2.80 -1.84 0.21 5.51 0.00 -0.21 -1.80 121.76 126.43 1iqj s ALA 119 Ca 0.13 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 1iqj s ALA 119 Cb -0.14 0.39 -0.07 0.00 0.00 0.00 0.00 23.12 23.29 1iqj s ALA 119 CO -0.19 -0.70 0.52 -1.25 0.00 0.00 0.00 175.76 174.14 1iqj s PRO 120 N -3.07 3.79 0.01 0.00 0.04 -1.26 -3.40 135.00 131.12 1iqj s PRO 120 Ca 0.06 0.25 -0.04 0.00 0.04 0.00 0.00 61.00 61.30 1iqj s PRO 120 Cb -0.01 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 1iqj s PRO 120 CO -0.08 0.36 0.23 0.00 0.04 0.00 0.00 177.00 177.55 1iqj s ALA 121 N -1.75 3.90 0.30 8.56 0.00 -0.52 -4.94 121.76 127.31 1iqj s ALA 121 Ca 0.45 -0.67 -0.28 0.00 0.00 0.00 0.00 51.96 51.46 1iqj s ALA 121 Cb -0.12 -1.98 -0.09 0.00 0.00 0.00 0.00 23.12 20.93 1iqj s ALA 121 CO 0.21 0.70 0.99 0.00 0.00 0.00 0.00 175.76 177.67 1iqj s LEU 123 N -1.74 4.22 0.63 0.00 1.02 -1.26 0.47 118.68 122.01 1iqj s LEU 123 Ca 0.47 0.26 0.01 0.00 0.02 0.00 0.00 54.13 54.89 1iqj s LEU 123 Cb -0.24 -2.11 0.08 0.00 0.02 0.00 0.00 46.19 43.94 1iqj s LEU 123 CO 0.31 0.18 0.87 -2.16 0.02 0.00 0.00 176.35 175.57 1iqj s PRO 124 N 0.34 2.13 0.20 1.29 0.04 -1.26 -4.97 135.00 132.76 1iqj s PRO 124 Ca 0.09 -1.04 -0.27 0.00 0.04 0.00 0.00 61.00 59.82 1iqj s PRO 124 Cb -0.11 -2.44 -0.08 0.00 0.04 0.00 0.00 34.50 31.91 1iqj s PRO 124 CO -0.01 -1.06 0.84 -2.00 0.04 0.00 0.00 177.00 174.80 1iqj s GLU 124 N -4.92 4.67 0.21 4.56 -6.30 -1.26 -4.92 118.70 110.74 1iqj s GLU 124 Ca 0.62 1.27 -0.10 0.00 -2.50 0.00 0.00 54.97 54.27 1iqj s GLU 124 Cb -0.08 -3.25 0.31 0.00 0.00 0.00 0.00 34.13 31.11 1iqj s GLU 124 CO 0.41 0.55 1.69 -0.09 0.02 0.00 0.00 175.26 177.84 1iqj h ARG 125 N 4.23 0.22 0.00 4.30 2.43 -1.98 0.20 114.38 123.78 1iqj h ARG 125 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1iqj h ARG 125 Cb 1.20 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1iqj h ARG 125 CO 0.67 0.15 0.00 -0.25 -1.51 0.00 0.00 179.97 179.02 1iqj n ASP 126 N -5.16 0.00 -0.35 -3.80 10.43 -1.26 -2.37 116.55 114.04 1iqj n ASP 126 Ca 0.09 0.75 0.10 0.00 2.57 0.00 0.00 54.79 58.31 1iqj n ASP 126 Cb 0.34 -0.43 0.22 0.00 1.84 0.00 0.00 41.12 43.09 1iqj n ASP 126 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 1iqj h TRP 127 N 0.00 -0.27 0.41 1.24 7.01 -1.97 -1.51 115.95 120.86 1iqj h TRP 127 Ca 0.00 0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1iqj h TRP 127 Cb 0.00 0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 1iqj h TRP 127 CO 0.13 -0.43 -0.43 0.00 -2.79 0.00 0.00 178.44 174.92 1iqj h ALA 128 N 1.98 -0.94 0.00 2.65 0.00 -0.66 0.79 119.26 123.09 1iqj h ALA 128 Ca 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1iqj h ALA 128 Cb 0.99 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1iqj h ALA 128 CO -0.97 -1.07 -0.05 0.93 0.00 0.00 0.00 179.25 178.10 1iqj h GLU 129 N -0.86 0.00 0.00 0.00 5.08 -0.93 1.00 114.58 118.88 1iqj h GLU 129 Ca -0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1iqj h GLU 129 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1iqj h GLU 129 CO -0.08 0.05 -0.97 1.03 -1.00 0.00 0.00 179.01 178.04 1iqj h SER 130 N 0.00 0.00 0.00 1.42 0.87 -1.03 -3.38 113.55 111.42 1iqj h SER 130 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1iqj h SER 130 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1iqj h SER 130 CO 0.01 0.18 -0.68 0.41 -0.53 0.00 0.00 176.83 176.22 1iqj n THR 131 N -2.81 0.00 -0.02 2.23 -1.04 0.25 -4.64 114.28 108.24 1iqj n THR 131 Ca -0.02 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.94 1iqj n THR 131 Cb 0.64 -0.62 -0.13 0.00 -1.82 0.00 0.00 70.33 68.40 1iqj n THR 131 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1iqj n LEU 131 N -1.49 0.62 -0.90 -4.42 4.32 0.34 -3.95 117.00 111.53 1iqj n LEU 131 Ca 0.00 0.28 0.11 0.00 -0.02 0.00 0.00 56.01 56.38 1iqj n LEU 131 Cb 0.32 0.20 0.10 0.00 -1.62 0.00 0.00 43.42 42.42 1iqj n LEU 131 CO 0.00 0.31 0.61 0.23 -1.22 0.00 0.00 177.39 177.32 1iqj n MET 131 N -2.88 2.10 0.00 3.23 2.81 -1.00 -3.78 117.12 117.60 1iqj n MET 131 Ca -0.17 -1.85 0.12 0.00 -1.81 0.00 0.00 57.70 53.99 1iqj n MET 131 Cb 0.98 -1.43 0.18 0.00 -0.71 0.00 0.00 33.22 32.24 1iqj n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1iqj n THR 132 N 1.25 0.00 -1.53 2.03 -2.24 -1.26 -4.92 114.28 107.61 1iqj n THR 132 Ca 0.13 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 1iqj n THR 132 Cb 0.55 1.14 0.16 0.00 -2.10 0.00 0.00 70.33 70.09 1iqj n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1iqj s GLN 133 N -2.17 0.74 0.03 -0.78 2.00 -1.25 -5.01 119.66 113.23 1iqj s GLN 133 Ca 0.27 0.13 -0.18 0.00 -2.00 0.00 0.00 55.36 53.59 1iqj s GLN 133 Cb 0.20 -1.81 -0.25 0.00 0.80 0.00 0.00 33.01 31.95 1iqj s GLN 133 CO 0.40 -2.44 1.10 0.87 -0.50 0.00 0.00 175.29 174.72 1iqj h LYS 134 N -1.67 0.51 -4.69 1.67 1.79 -1.91 -3.43 116.57 108.85 1iqj h LYS 134 Ca -0.49 -0.60 -0.35 0.00 -2.18 0.00 0.00 60.65 57.03 1iqj h LYS 134 Cb 1.31 0.18 -0.13 0.00 -1.58 0.00 0.00 32.23 32.01 1iqj h LYS 134 CO 0.55 1.23 -0.51 0.95 -1.08 0.00 0.00 179.45 180.58 1iqj s THR 135 N -3.11 0.00 0.29 -0.16 -4.23 -1.26 -1.67 115.64 105.49 1iqj s THR 135 Ca -0.12 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.41 1iqj s THR 135 Cb 0.04 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 1iqj s THR 135 CO 0.87 0.00 0.39 -0.83 -0.54 0.00 0.00 174.62 174.51 1iqj s GLY 136 N -3.27 1.38 -0.05 3.99 0.00 0.66 -4.75 107.32 105.29 1iqj s GLY 136 Ca 0.39 -1.49 0.05 0.00 0.00 0.00 0.00 44.72 43.68 1iqj s GLY 136 CO 0.20 -1.05 -0.21 -0.42 0.00 0.00 0.00 173.10 171.62 1iqj s ILE 137 N -3.51 2.46 0.01 0.90 -1.09 0.38 -0.71 121.20 119.64 1iqj s ILE 137 Ca 0.32 -0.94 0.06 0.00 -2.23 0.00 0.00 60.65 57.85 1iqj s ILE 137 Cb 0.01 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.96 1iqj s ILE 137 CO 0.17 0.58 -0.17 0.54 -1.23 0.00 0.00 174.94 174.83 1iqj s VAL 138 N -0.47 1.34 0.06 2.92 0.11 -0.90 0.39 120.40 123.86 1iqj s VAL 138 Ca 0.05 -0.88 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 1iqj s VAL 138 Cb -0.12 -1.15 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 1iqj s VAL 138 CO 0.01 0.26 0.09 -0.94 -3.33 0.00 0.00 175.10 171.18 1iqj s SER 139 N -0.72 0.27 0.00 3.54 1.04 -1.15 -0.08 113.70 116.61 1iqj s SER 139 Ca 0.06 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1iqj s SER 139 Cb -0.07 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1iqj s SER 139 CO 0.00 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1iqj n GLY 140 N 0.19 -0.62 0.76 7.32 0.00 -0.43 -4.24 105.19 108.17 1iqj n GLY 140 Ca -0.16 -1.04 0.09 0.00 0.00 0.00 0.00 46.02 44.92 1iqj n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqj n PHE 141 N -0.24 0.02 -0.72 1.61 3.72 -1.26 -2.02 117.46 118.57 1iqj n PHE 141 Ca 0.00 -0.01 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 1iqj n PHE 141 Cb 0.00 -0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.69 1iqj n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iqj n GLY 142 N 1.05 -1.99 3.22 1.37 0.00 -1.26 -0.11 105.19 107.48 1iqj n GLY 142 Ca 0.11 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1iqj n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqj n ARG 143 N -2.37 0.01 -0.07 1.61 3.00 0.61 -2.14 116.66 117.31 1iqj n ARG 143 Ca 0.05 0.01 0.04 0.00 -0.01 0.00 0.00 57.85 57.93 1iqj n ARG 143 Cb 0.56 -1.03 0.07 0.00 0.00 0.00 0.00 32.46 32.07 1iqj n ARG 143 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1iqj n THR 144 N -1.68 1.29 -2.64 0.55 -2.24 -1.24 0.15 114.28 108.47 1iqj n THR 144 Ca 0.06 -1.35 -0.03 0.00 -2.27 0.00 0.00 64.05 60.46 1iqj n THR 144 Cb 0.49 0.28 0.05 0.00 -2.10 0.00 0.00 70.33 69.04 1iqj n THR 144 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1iqj n HIS 145 N -0.57 -1.13 0.00 4.78 -0.00 -1.26 -4.46 115.22 112.58 1iqj n HIS 145 Ca 0.07 -1.05 0.00 0.00 -0.00 0.00 0.00 57.72 56.74 1iqj n HIS 145 Cb 0.41 1.23 0.00 0.00 -0.00 0.00 0.00 29.99 31.62 1iqj n HIS 145 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1iqj n GLU 147 N -0.63 0.00 -0.03 1.57 0.00 -1.26 -2.25 120.64 118.03 1iqj n GLU 147 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.93 1iqj n GLU 147 Cb 0.71 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 32.01 1iqj n GLU 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1iqj n LYS 148 N 0.00 0.64 -0.04 3.44 5.02 -1.26 -4.91 118.16 121.05 1iqj n LYS 148 Ca 0.00 0.27 -0.02 0.00 -2.02 0.00 0.00 58.31 56.54 1iqj n LYS 148 Cb 0.00 -1.76 0.02 0.00 -0.02 0.00 0.00 35.03 33.26 1iqj n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqj n GLY 149 N 1.59 -2.31 3.90 0.72 0.00 -0.95 -5.04 105.19 103.10 1iqj n GLY 149 Ca -0.19 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 1iqj n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iqj s ARG 150 N -2.03 2.77 0.19 1.61 1.70 -1.26 -4.80 118.95 117.13 1iqj s ARG 150 Ca 0.04 -1.29 -0.33 0.00 -0.47 0.00 0.00 55.73 53.68 1iqj s ARG 150 Cb -0.01 -2.55 -0.14 0.00 -0.57 0.00 0.00 34.95 31.68 1iqj s ARG 150 CO 0.03 -0.01 1.51 0.94 -1.08 0.00 0.00 175.30 176.69 1iqj n GLN 151 N -1.51 2.10 -1.66 3.89 -0.06 -1.26 -3.66 117.38 115.21 1iqj n GLN 151 Ca 0.01 0.75 -0.33 0.00 -2.00 0.00 0.00 57.00 55.43 1iqj n GLN 151 Cb 0.60 -2.48 0.05 0.00 -4.06 0.00 0.00 30.24 24.36 1iqj n GLN 151 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1iqj s SER 152 N 0.66 5.01 -0.00 1.69 0.15 0.85 -4.90 113.70 117.15 1iqj s SER 152 Ca 0.75 1.95 0.14 0.00 0.70 0.00 0.00 55.95 59.49 1iqj s SER 152 Cb -0.67 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 60.93 1iqj s SER 152 CO 0.43 -1.69 0.53 1.07 1.20 0.00 0.00 173.24 174.77 1iqj n THR 153 N -2.64 0.00 -5.08 6.45 5.66 -1.26 -4.77 114.28 112.64 1iqj n THR 153 Ca 0.10 -0.21 -0.32 0.00 -3.05 0.00 0.00 64.05 60.57 1iqj n THR 153 Cb 0.52 0.79 -0.15 0.00 -1.55 0.00 0.00 70.33 69.95 1iqj n THR 153 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1iqj s ARG 154 N -2.50 2.43 -0.01 1.09 1.81 -1.26 0.11 118.95 120.62 1iqj s ARG 154 Ca 0.03 -0.80 -0.30 0.00 -1.72 0.00 0.00 55.73 52.93 1iqj s ARG 154 Cb 0.10 -2.25 -0.04 0.00 -0.45 0.00 0.00 34.95 32.32 1iqj s ARG 154 CO 0.58 0.55 1.12 -1.17 -0.68 0.00 0.00 175.30 175.70 1iqj s LEU 155 N -0.55 4.33 0.21 2.53 2.96 0.36 -4.70 118.68 123.82 1iqj s LEU 155 Ca 0.08 1.80 0.07 0.00 -0.22 0.00 0.00 54.13 55.86 1iqj s LEU 155 Cb -0.11 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1iqj s LEU 155 CO 0.01 -0.44 -0.11 -1.59 -1.32 0.00 0.00 176.35 172.89 1iqj s LYS 156 N 1.50 1.34 0.05 1.98 -2.85 -0.86 -1.77 119.74 119.13 1iqj s LYS 156 Ca 0.55 -1.62 0.09 0.00 -1.00 0.00 0.00 55.97 53.99 1iqj s LYS 156 Cb -0.24 -1.02 -0.03 0.00 -2.06 0.00 0.00 37.83 34.48 1iqj s LYS 156 CO 0.25 0.12 -0.25 0.00 0.10 0.00 0.00 175.35 175.57 1iqj s MET 157 N -3.69 1.69 -0.09 1.78 0.23 -1.25 -1.31 119.30 116.66 1iqj s MET 157 Ca 0.23 -1.09 0.00 0.00 -1.03 0.00 0.00 55.69 53.81 1iqj s MET 157 Cb 0.01 -1.87 0.02 0.00 -1.53 0.00 0.00 34.83 31.46 1iqj s MET 157 CO 0.07 0.48 -0.07 -1.17 -2.03 0.00 0.00 175.02 172.30 1iqj s LEU 158 N -1.27 1.21 -0.25 0.18 0.20 0.89 -1.31 118.68 118.33 1iqj s LEU 158 Ca 0.11 -0.25 -0.29 0.00 0.69 0.00 0.00 54.13 54.39 1iqj s LEU 158 Cb -0.10 -0.73 0.00 0.00 -0.43 0.00 0.00 46.19 44.94 1iqj s LEU 158 CO 0.02 -0.09 1.15 -0.70 -0.29 0.00 0.00 176.35 176.44 1iqj s GLU 159 N 1.42 4.14 -0.10 1.98 2.12 -1.26 -2.12 118.70 124.88 1iqj s GLU 159 Ca -0.01 1.34 0.04 0.00 0.36 0.00 0.00 54.97 56.69 1iqj s GLU 159 Cb -0.13 -3.74 -0.00 0.00 0.26 0.00 0.00 34.13 30.51 1iqj s GLU 159 CO -0.04 -0.81 -0.23 0.14 -0.54 0.00 0.00 175.26 173.78 1iqj s VAL 160 N 3.60 2.20 0.56 3.70 -7.23 0.11 -4.94 120.40 118.40 1iqj s VAL 160 Ca 0.49 -0.98 -0.13 0.00 -1.81 0.00 0.00 61.98 59.55 1iqj s VAL 160 Cb -0.16 -1.84 -0.06 0.00 0.56 0.00 0.00 36.38 34.88 1iqj s VAL 160 CO 0.14 0.56 1.00 -2.16 -0.31 0.00 0.00 175.10 174.32 1iqj s PRO 161 N 0.24 3.76 0.57 4.82 0.04 -1.25 -0.25 135.00 142.93 1iqj s PRO 161 Ca -0.15 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.55 1iqj s PRO 161 Cb -0.17 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1iqj s PRO 161 CO 0.08 -0.42 1.06 0.71 0.04 0.00 0.00 177.00 178.47 1iqj s TYR 162 N -2.90 2.96 -0.12 0.56 2.02 -0.67 -0.08 117.35 119.12 1iqj s TYR 162 Ca 0.57 1.53 -0.00 0.00 -0.37 0.00 0.00 57.07 58.79 1iqj s TYR 162 Cb -0.10 -3.04 -0.02 0.00 -0.40 0.00 0.00 41.96 38.40 1iqj s TYR 162 CO 0.43 -1.09 -0.11 0.08 -1.57 0.00 0.00 175.55 173.29 1iqj s VAL 163 N -2.30 3.25 -0.05 0.71 1.01 -0.79 -4.76 120.40 117.46 1iqj s VAL 163 Ca 0.65 -0.60 -0.34 0.00 0.00 0.00 0.00 61.98 61.68 1iqj s VAL 163 Cb -0.17 -2.36 -0.12 0.00 0.00 0.00 0.00 36.38 33.73 1iqj s VAL 163 CO 0.32 0.53 1.82 -0.67 0.00 0.00 0.00 175.10 177.11 1iqj n ASP 164 N 3.27 3.33 -0.38 3.32 2.03 -1.26 -4.68 116.55 122.18 1iqj n ASP 164 Ca -0.18 1.00 -0.02 0.00 0.52 0.00 0.00 54.79 56.11 1iqj n ASP 164 Cb 0.53 -1.37 0.02 0.00 -0.72 0.00 0.00 41.12 39.58 1iqj n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1iqj h ARG 165 N 8.52 -0.01 0.35 -0.67 9.65 -1.97 0.72 114.38 130.97 1iqj h ARG 165 Ca -0.48 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1iqj h ARG 165 Cb 1.27 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.83 1iqj h ARG 165 CO 0.94 -0.00 -0.36 -0.91 2.80 0.00 0.00 179.97 182.44 1iqj h ASN 166 N -0.01 -0.97 -0.77 -3.80 2.35 -1.99 0.23 115.58 110.62 1iqj h ASN 166 Ca 0.32 0.08 0.16 0.00 -0.55 0.00 0.00 56.30 56.32 1iqj h ASN 166 Cb 0.58 0.33 -0.11 0.00 0.05 0.00 0.00 38.32 39.17 1iqj h ASN 166 CO -0.97 -0.50 0.26 0.28 -1.65 0.00 0.00 177.43 174.85 1iqj h SER 167 N -0.73 0.18 -0.00 5.81 0.02 -1.43 0.15 113.55 117.54 1iqj h SER 167 Ca -0.02 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1iqj h SER 167 Cb 0.66 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 1iqj h SER 167 CO -0.07 0.03 -0.38 0.00 -1.14 0.00 0.00 176.83 175.27 1iqj h LYS 169 N -0.48 0.54 -0.05 0.00 1.57 0.67 -1.28 116.57 117.54 1iqj h LYS 169 Ca 0.01 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1iqj h LYS 169 Cb 0.52 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1iqj h LYS 169 CO -0.26 0.36 -0.41 -0.07 -0.57 0.00 0.00 179.45 178.50 1iqj h LEU 170 N 0.56 0.45 -1.55 2.94 3.38 -0.24 -3.27 115.31 117.57 1iqj h LEU 170 Ca 0.38 -0.69 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1iqj h LEU 170 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1iqj h LEU 170 CO -0.14 1.07 -0.23 0.77 0.09 0.00 0.00 178.44 179.99 1iqj h SER 171 N -0.13 0.00 -2.90 -0.43 4.64 0.15 -3.44 113.55 111.44 1iqj h SER 171 Ca -0.04 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.98 1iqj h SER 171 Cb 1.08 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.32 1iqj h SER 171 CO 0.08 0.23 0.08 -0.24 -0.87 0.00 0.00 176.83 176.12 1iqj n SER 172 N -4.18 -1.87 -0.00 4.97 2.88 -0.54 -4.70 113.62 110.18 1iqj n SER 172 Ca -0.02 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 1iqj n SER 172 Cb 0.29 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1iqj n SER 172 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iqj n SER 173 N -4.43 0.17 -4.10 -3.46 7.64 -1.26 -5.03 113.62 103.14 1iqj n SER 173 Ca 0.11 -1.09 -0.08 0.00 1.01 0.00 0.00 58.87 58.83 1iqj n SER 173 Cb 0.44 -0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.54 1iqj n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iqj s PHE 174 N -0.08 0.59 -0.34 1.43 0.08 -1.26 -5.11 117.98 113.28 1iqj s PHE 174 Ca 0.00 -1.03 -0.29 0.00 0.12 0.00 0.00 56.93 55.74 1iqj s PHE 174 Cb 0.00 -0.41 -0.01 0.00 -0.57 0.00 0.00 43.02 42.03 1iqj s PHE 174 CO 0.00 -0.33 1.58 0.42 -0.10 0.00 0.00 175.22 176.79 1iqj s ILE 175 N -3.81 3.72 -0.95 0.64 -1.09 -1.26 -4.93 121.20 113.52 1iqj s ILE 175 Ca 0.08 0.75 -0.23 0.00 -2.23 0.00 0.00 60.65 59.02 1iqj s ILE 175 Cb 0.07 -3.91 0.07 0.00 -1.58 0.00 0.00 42.46 37.10 1iqj s ILE 175 CO -0.09 -0.54 1.34 -0.63 -1.23 0.00 0.00 174.94 173.80 1iqj s ILE 176 N 5.87 4.09 1.18 2.92 -1.09 -1.26 -5.00 121.20 127.91 1iqj s ILE 176 Ca 0.70 -0.79 -0.13 0.00 -2.23 0.00 0.00 60.65 58.20 1iqj s ILE 176 Cb -0.19 -4.97 0.29 0.00 -1.58 0.00 0.00 42.46 36.02 1iqj s ILE 176 CO 0.32 -1.82 1.02 0.42 -1.23 0.00 0.00 174.94 173.65 1iqj s THR 177 N 4.54 2.00 0.51 2.92 -4.23 -1.26 -4.87 115.64 115.25 1iqj s THR 177 Ca 0.41 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 61.23 1iqj s THR 177 Cb -0.03 -2.01 0.34 0.00 1.34 0.00 0.00 72.50 72.15 1iqj s THR 177 CO -0.06 -0.00 2.19 1.56 -0.54 0.00 0.00 174.62 177.77 1iqj h GLN 178 N -2.71 0.00 0.00 3.99 7.50 -2.04 -2.46 115.11 119.40 1iqj h GLN 178 Ca -0.62 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.53 1iqj h GLN 178 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.86 1iqj h GLN 178 CO 0.49 0.05 0.00 -0.91 -1.50 0.00 0.00 178.83 176.96 1iqj h ASN 179 N 0.00 0.00 -0.68 1.46 2.35 -1.93 -3.46 115.58 113.32 1iqj h ASN 179 Ca -0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1iqj h ASN 179 Cb 0.15 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.44 1iqj h ASN 179 CO 0.01 0.00 -0.40 0.00 -1.65 0.00 0.00 177.43 175.38 1iqj s MET 180 N -3.35 2.23 0.17 0.81 0.23 -0.93 0.11 119.30 118.57 1iqj s MET 180 Ca 0.05 -2.11 -0.22 0.00 -1.03 0.00 0.00 55.69 52.38 1iqj s MET 180 Cb 0.09 -1.90 0.06 0.00 -1.53 0.00 0.00 34.83 31.56 1iqj s MET 180 CO 0.52 -0.45 0.60 -0.59 -2.03 0.00 0.00 175.02 173.07 1iqj s PHE 181 N -2.77 -0.49 -0.10 3.16 -0.12 0.24 -4.54 117.98 113.36 1iqj s PHE 181 Ca 0.26 0.26 -0.05 0.00 -0.05 0.00 0.00 56.93 57.35 1iqj s PHE 181 Cb 0.00 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1iqj s PHE 181 CO 0.16 -0.87 0.12 0.00 -0.05 0.00 0.00 175.22 174.57 1iqj s ALA 183 N -1.04 -1.89 0.00 0.00 0.00 -1.04 -1.89 121.76 115.90 1iqj s ALA 183 Ca 0.16 2.20 0.00 0.00 0.00 0.00 0.00 51.96 54.32 1iqj s ALA 183 Cb -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1iqj s ALA 183 CO 0.06 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1iqj n GLY 184 N 3.41 0.27 3.15 0.00 0.00 0.88 -3.43 105.19 109.48 1iqj n GLY 184 Ca -0.17 -1.14 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 1iqj n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqj s TYR 185 N -4.00 1.08 0.00 1.61 2.02 -1.26 -3.89 117.35 112.91 1iqj s TYR 185 Ca 0.00 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 1iqj s TYR 185 Cb 0.00 -0.60 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 1iqj s TYR 185 CO 0.00 0.02 0.00 -3.47 -1.57 0.00 0.00 175.55 170.53 1iqj n ASP 185 N 1.16 0.00 0.00 2.29 4.64 -1.26 -4.63 116.55 118.75 1iqj n ASP 185 Ca -0.20 0.45 -0.21 0.00 -1.38 0.00 0.00 54.79 53.44 1iqj n ASP 185 Cb 0.55 -0.46 -0.14 0.00 -1.04 0.00 0.00 41.12 40.03 1iqj n ASP 185 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1iqj h THR 185 N 0.00 1.08 -2.26 5.18 1.35 -1.91 -2.97 112.91 113.37 1iqj h THR 185 Ca 0.00 -2.40 -0.62 0.00 -0.55 0.00 0.00 66.41 62.84 1iqj h THR 185 Cb 0.00 2.74 0.08 0.00 -1.73 0.00 0.00 68.15 69.24 1iqj h THR 185 CO 0.00 0.69 0.43 0.29 -0.25 0.00 0.00 175.52 176.68 1iqj n LYS 186 N -3.97 1.56 -2.29 4.72 5.02 -1.26 -4.77 118.16 117.16 1iqj n LYS 186 Ca -0.24 0.56 -0.43 0.00 -2.02 0.00 0.00 58.31 56.18 1iqj n LYS 186 Cb 0.88 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1iqj n LYS 186 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1iqj n GLN 187 N 1.92 3.28 -3.74 1.97 6.02 -1.26 -4.73 117.38 120.84 1iqj n GLN 187 Ca 0.14 -3.26 -0.14 0.00 -0.01 0.00 0.00 57.00 53.72 1iqj n GLN 187 Cb 0.28 -3.14 -0.15 0.00 1.02 0.00 0.00 30.24 28.24 1iqj n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1iqj s GLU 188 N 2.02 0.07 0.00 -1.09 2.02 -1.26 -3.74 118.70 116.71 1iqj s GLU 188 Ca 0.45 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.80 1iqj s GLU 188 Cb 0.08 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.11 1iqj s GLU 188 CO -0.01 -0.18 0.00 -3.47 0.02 0.00 0.00 175.26 171.61 1iqj n ASP 189 N 4.33 0.00 -4.12 -0.19 2.03 -1.19 -4.23 116.55 113.19 1iqj n ASP 189 Ca -0.24 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.78 1iqj n ASP 189 Cb 0.51 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.14 1iqj n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqj n ALA 190 N -0.62 -3.60 -3.00 -1.67 0.00 -1.26 -1.37 120.51 108.98 1iqj n ALA 190 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1iqj n ALA 190 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1iqj n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqj n GLN 192 N 0.00 1.01 -1.43 0.00 6.02 -1.26 -1.53 117.38 120.19 1iqj n GLN 192 Ca 0.00 0.36 -0.15 0.00 -0.01 0.00 0.00 57.00 57.20 1iqj n GLN 192 Cb 0.00 -1.73 -0.07 0.00 1.02 0.00 0.00 30.24 29.47 1iqj n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1iqj n GLY 193 N 1.44 1.45 0.10 1.08 0.00 -1.26 -0.28 105.19 107.72 1iqj n GLY 193 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1iqj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iqj n ASP 194 N -1.12 1.13 -4.39 1.61 10.43 -0.59 -4.04 116.55 119.58 1iqj n ASP 194 Ca -0.15 -1.06 -0.32 0.00 2.57 0.00 0.00 54.79 55.82 1iqj n ASP 194 Cb 0.60 0.88 0.16 0.00 1.84 0.00 0.00 41.12 44.61 1iqj n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1iqj n SER 195 N -1.14 -1.93 0.00 -2.24 7.64 -1.26 -2.25 113.62 112.42 1iqj n SER 195 Ca 0.05 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1iqj n SER 195 Cb 0.33 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1iqj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqj n GLY 196 N 1.53 1.34 3.16 0.23 0.00 0.45 0.72 105.19 112.61 1iqj n GLY 196 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1iqj n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqj n GLY 197 N -0.82 -2.84 3.87 -0.02 0.00 -0.96 -2.71 105.19 101.71 1iqj n GLY 197 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1iqj n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iqj s PRO 198 N -2.80 3.71 -0.23 1.61 0.04 -1.26 -2.12 135.00 133.96 1iqj s PRO 198 Ca 0.47 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.64 1iqj s PRO 198 Cb -0.05 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.50 1iqj s PRO 198 CO 0.68 0.61 -0.10 -1.58 0.04 0.00 0.00 177.00 176.65 1iqj s HIS 199 N -1.33 2.71 0.15 0.56 2.46 -0.20 -2.93 115.29 116.72 1iqj s HIS 199 Ca 0.30 -1.88 0.11 0.00 0.47 0.00 0.00 55.06 54.05 1iqj s HIS 199 Cb -0.14 -1.73 -0.04 0.00 -0.13 0.00 0.00 32.58 30.54 1iqj s HIS 199 CO 0.17 -0.80 -0.23 0.14 -2.47 0.00 0.00 174.74 171.55 1iqj s VAL 200 N 1.29 2.48 -0.09 0.89 -7.23 0.16 -0.93 120.40 116.98 1iqj s VAL 200 Ca -0.05 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 1iqj s VAL 200 Cb -0.18 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1iqj s VAL 200 CO -0.07 0.02 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.64 1iqj s THR 201 N -1.30 1.82 -0.03 5.32 2.01 -0.21 0.14 115.64 123.40 1iqj s THR 201 Ca 0.18 -0.88 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 1iqj s THR 201 Cb -0.09 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 1iqj s THR 201 CO 0.09 0.51 0.54 -0.60 -0.69 0.00 0.00 174.62 174.46 1iqj s ARG 202 N 0.38 4.26 -0.31 4.92 3.52 -1.26 -1.44 118.95 129.02 1iqj s ARG 202 Ca -0.17 0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 56.04 1iqj s ARG 202 Cb -0.17 -3.35 0.13 0.00 -1.56 0.00 0.00 34.95 30.00 1iqj s ARG 202 CO 0.07 0.37 0.24 0.12 -0.81 0.00 0.00 175.30 175.29 1iqj s PHE 203 N -0.13 0.00 -0.46 5.12 5.36 -0.70 -4.87 117.98 122.30 1iqj s PHE 203 Ca 0.29 -0.73 -0.01 0.00 -0.96 0.00 0.00 56.93 55.51 1iqj s PHE 203 Cb -0.17 -0.67 0.00 0.00 -0.34 0.00 0.00 43.02 41.84 1iqj s PHE 203 CO 0.15 -0.88 0.19 1.63 -1.46 0.00 0.00 175.22 174.84 1iqj n LYS 204 N 4.93 -1.50 -0.98 10.12 5.02 -1.26 -3.54 118.16 130.95 1iqj n LYS 204 Ca 0.01 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1iqj n LYS 204 Cb 0.43 -3.78 0.00 0.00 -0.02 0.00 0.00 35.03 31.66 1iqj n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iqj n ASP 205 N 0.47 -0.26 -4.48 4.39 8.00 -1.26 -5.01 116.55 118.41 1iqj n ASP 205 Ca -0.03 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.13 1iqj n ASP 205 Cb 0.53 -0.14 -0.13 0.00 -0.02 0.00 0.00 41.12 41.37 1iqj n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iqj s THR 206 N -3.72 3.51 0.05 -3.53 2.01 -1.23 -5.11 115.64 107.61 1iqj s THR 206 Ca 0.00 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 1iqj s THR 206 Cb 0.00 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 1iqj s THR 206 CO 0.00 0.54 0.30 -0.31 -0.69 0.00 0.00 174.62 174.46 1iqj s TYR 207 N -0.02 3.55 0.02 4.92 1.51 -1.26 -1.72 117.35 124.34 1iqj s TYR 207 Ca -0.01 0.56 0.06 0.00 -1.01 0.00 0.00 57.07 56.67 1iqj s TYR 207 Cb -0.14 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1iqj s TYR 207 CO 0.03 0.56 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.79 1iqj s PHE 208 N -1.40 1.63 -0.67 2.71 0.08 -0.52 -2.75 117.98 117.05 1iqj s PHE 208 Ca 0.32 -0.34 -0.26 0.00 0.12 0.00 0.00 56.93 56.76 1iqj s PHE 208 Cb -0.13 -1.01 -0.01 0.00 -0.57 0.00 0.00 43.02 41.31 1iqj s PHE 208 CO 0.19 0.03 1.71 0.08 -0.10 0.00 0.00 175.22 177.13 1iqj s VAL 209 N -0.62 3.46 -0.40 -0.44 1.01 0.18 -1.05 120.40 122.54 1iqj s VAL 209 Ca 0.06 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1iqj s VAL 209 Cb -0.08 -4.22 0.53 0.00 0.00 0.00 0.00 36.38 32.62 1iqj s VAL 209 CO 0.01 -1.18 1.65 0.35 0.00 0.00 0.00 175.10 175.93 1iqj n THR 210 N 7.02 2.91 0.00 3.92 -2.24 -0.10 -4.67 114.28 121.12 1iqj n THR 210 Ca 0.17 -2.76 0.00 0.00 -2.27 0.00 0.00 64.05 59.19 1iqj n THR 210 Cb 0.51 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1iqj n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqj n GLY 211 N -1.05 4.44 3.78 3.38 0.00 -1.10 -4.55 105.19 110.09 1iqj n GLY 211 Ca 0.47 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1iqj n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iqj s ILE 212 N -1.92 4.57 -0.40 -0.61 1.01 -0.54 -1.03 121.20 122.29 1iqj s ILE 212 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 1iqj s ILE 212 Cb 0.00 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.30 1iqj s ILE 212 CO 0.00 0.16 1.38 -0.69 0.00 0.00 0.00 174.94 175.79 1iqj s VAL 213 N -1.36 3.96 -0.01 2.92 1.01 -0.90 -0.60 120.40 125.43 1iqj s VAL 213 Ca 0.28 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 1iqj s VAL 213 Cb -0.12 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 1iqj s VAL 213 CO 0.21 -0.74 -0.02 -0.24 0.00 0.00 0.00 175.10 174.32 1iqj n SER 214 N 8.58 0.11 -1.85 3.32 2.88 -1.12 -0.41 113.62 125.13 1iqj n SER 214 Ca 0.16 0.02 -0.04 0.00 -1.33 0.00 0.00 58.87 57.68 1iqj n SER 214 Cb 0.48 -0.35 0.01 0.00 -0.75 0.00 0.00 64.21 63.60 1iqj n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1iqj n TRP 215 N -2.61 -1.66 0.00 0.66 4.27 -0.33 -4.86 117.44 112.91 1iqj n TRP 215 Ca -0.01 -0.89 0.00 0.00 -3.89 0.00 0.00 57.50 52.71 1iqj n TRP 215 Cb 0.02 0.44 0.00 0.00 -1.36 0.00 0.00 31.31 30.42 1iqj n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1iqj n GLY 216 N -0.26 0.91 3.44 -1.67 0.00 -1.26 0.71 105.19 107.06 1iqj n GLY 216 Ca -0.04 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 1iqj n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqj s GLU 217 N -2.00 4.06 0.51 1.61 2.02 -1.26 -4.90 118.70 118.74 1iqj s GLU 217 Ca 0.00 -2.60 0.00 0.00 0.02 0.00 0.00 54.97 52.39 1iqj s GLU 217 Cb 0.00 -4.97 0.00 0.00 0.10 0.00 0.00 34.13 29.26 1iqj s GLU 217 CO 0.00 -1.68 0.00 0.41 0.02 0.00 0.00 175.26 174.01 1iqj n GLY 218 N 4.02 -1.80 2.88 -1.39 0.00 -1.26 -4.64 105.19 103.00 1iqj n GLY 218 Ca 0.33 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 1iqj n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqj n ALA 221 N 4.88 0.00 -1.68 0.00 0.00 -1.26 -4.69 120.51 117.76 1iqj n ALA 221 Ca -0.12 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.87 1iqj n ALA 221 Cb 0.47 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.22 1iqj n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iqj n ARG 222 N -1.26 2.34 -1.73 0.00 1.74 -1.26 -4.67 116.66 111.82 1iqj n ARG 222 Ca 0.00 0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 57.52 1iqj n ARG 222 Cb 0.21 -2.67 0.01 0.00 -1.02 0.00 0.00 32.46 28.99 1iqj n ARG 222 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1iqj n LYS 223 N 4.65 2.10 0.00 5.56 3.00 -1.26 -1.82 118.16 130.40 1iqj n LYS 223 Ca 0.18 0.75 0.00 0.00 -0.00 0.00 0.00 58.31 59.24 1iqj n LYS 223 Cb 0.31 -2.48 0.00 0.00 0.00 0.00 0.00 35.03 32.86 1iqj n LYS 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iqj n GLY 223 N 0.71 2.77 3.94 3.14 0.00 -1.12 -4.97 105.19 109.65 1iqj n GLY 223 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1iqj n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqj s LYS 224 N -0.05 3.37 0.00 1.61 3.01 -0.76 -4.75 119.74 122.17 1iqj s LYS 224 Ca 0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 55.97 54.24 1iqj s LYS 224 Cb 0.00 -2.88 0.00 0.00 -1.01 0.00 0.00 37.83 33.94 1iqj s LYS 224 CO 0.00 0.47 0.00 0.66 0.51 0.00 0.00 175.35 176.99 1iqj n TYR 225 N -0.97 0.00 -4.09 3.18 4.01 -1.26 -4.64 117.16 113.39 1iqj n TYR 225 Ca -0.08 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.34 1iqj n TYR 225 Cb 0.56 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.43 1iqj n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1iqj s GLY 226 N -0.52 1.34 -0.03 2.72 0.00 -1.22 -4.25 107.32 105.36 1iqj s GLY 226 Ca 0.00 -1.18 -0.25 0.00 0.00 0.00 0.00 44.72 43.29 1iqj s GLY 226 CO 0.00 0.37 0.78 -0.42 0.00 0.00 0.00 173.10 173.83 1iqj s ILE 227 N 1.33 4.95 0.02 0.90 -1.09 0.22 -2.51 121.20 125.02 1iqj s ILE 227 Ca 0.04 1.63 0.07 0.00 -2.23 0.00 0.00 60.65 60.17 1iqj s ILE 227 Cb -0.13 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1iqj s ILE 227 CO -0.12 0.25 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.32 1iqj s TYR 228 N 0.72 2.49 -0.16 3.97 1.51 0.20 -1.19 117.35 124.90 1iqj s TYR 228 Ca 0.41 -0.30 -0.29 0.00 -1.01 0.00 0.00 57.07 55.88 1iqj s TYR 228 Cb -0.19 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1iqj s TYR 228 CO 0.21 0.17 1.57 0.99 -1.11 0.00 0.00 175.55 177.38 1iqj s THR 229 N -0.82 3.76 -0.88 -0.71 2.01 0.24 0.82 115.64 120.05 1iqj s THR 229 Ca 0.13 0.89 -0.25 0.00 0.31 0.00 0.00 61.69 62.76 1iqj s THR 229 Cb -0.10 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 1iqj s THR 229 CO 0.03 -0.19 2.14 -0.75 -0.69 0.00 0.00 174.62 175.16 1iqj s LYS 230 N 4.26 2.10 0.16 4.92 2.20 0.12 -1.46 119.74 132.03 1iqj s LYS 230 Ca 0.69 -0.04 -0.17 0.00 -0.36 0.00 0.00 55.97 56.09 1iqj s LYS 230 Cb -0.27 -4.96 0.07 0.00 -1.51 0.00 0.00 37.83 31.16 1iqj s LYS 230 CO 0.27 -3.95 1.70 0.28 -0.36 0.00 0.00 175.35 173.28 1iqj h VAL 231 N 7.34 0.72 -1.32 4.02 2.07 -1.84 -2.20 116.25 125.05 1iqj h VAL 231 Ca 0.06 -0.02 0.46 0.00 0.82 0.00 0.00 66.70 68.01 1iqj h VAL 231 Cb 1.00 0.64 -0.13 0.00 -1.52 0.00 0.00 31.29 31.28 1iqj h VAL 231 CO 1.12 0.01 0.85 0.35 0.02 0.00 0.00 177.57 179.92 1iqj n THR 232 N -5.21 -0.24 1.38 2.57 -2.24 -1.26 0.26 114.28 109.54 1iqj n THR 232 Ca 0.01 1.71 0.05 0.00 -2.27 0.00 0.00 64.05 63.55 1iqj n THR 232 Cb 0.18 -2.81 0.16 0.00 -2.10 0.00 0.00 70.33 65.77 1iqj n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqj n ALA 233 N -2.53 2.48 -0.36 6.98 0.00 -0.83 -3.77 120.51 122.49 1iqj n ALA 233 Ca 0.38 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1iqj n ALA 233 Cb 1.50 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1iqj n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iqj n PHE 234 N 0.06 0.00 0.00 0.00 3.72 0.74 -4.92 117.46 117.06 1iqj n PHE 234 Ca 0.09 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1iqj n PHE 234 Cb 0.18 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1iqj n PHE 234 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1iqj n LEU 235 N -0.18 0.00 -0.50 4.37 4.32 -1.16 -0.88 117.00 122.97 1iqj n LEU 235 Ca 0.00 0.93 0.41 0.00 -0.02 0.00 0.00 56.01 57.33 1iqj n LEU 235 Cb 0.23 -0.43 0.71 0.00 -1.62 0.00 0.00 43.42 42.31 1iqj n LEU 235 CO 0.00 -0.43 1.32 0.11 -1.22 0.00 0.00 177.39 177.17 1iqj h LYS 236 N 0.00 0.06 0.42 3.23 1.57 -1.91 0.79 116.57 120.74 1iqj h LYS 236 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1iqj h LYS 236 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1iqj h LYS 236 CO 0.00 0.04 -0.20 2.35 -0.57 0.00 0.00 179.45 181.07 1iqj h TRP 237 N 0.06 -0.53 -0.78 -1.35 7.01 -1.67 -2.11 115.95 116.58 1iqj h TRP 237 Ca 0.81 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.98 1iqj h TRP 237 Cb 2.85 0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 30.04 1iqj h TRP 237 CO -0.00 -0.33 0.53 0.82 -2.79 0.00 0.00 178.44 176.67 1iqj h ILE 238 N -1.12 0.72 0.00 2.65 2.04 0.99 0.34 117.51 123.13 1iqj h ILE 238 Ca -0.06 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1iqj h ILE 238 Cb 0.43 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1iqj h ILE 238 CO 0.10 0.05 0.00 -0.67 0.00 0.00 0.00 178.15 177.63 1iqj n ASP 239 N -4.45 0.00 -0.39 1.72 2.03 0.26 -1.76 116.55 113.96 1iqj n ASP 239 Ca 0.16 0.67 0.00 0.00 0.52 0.00 0.00 54.79 56.14 1iqj n ASP 239 Cb 0.65 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1iqj n ASP 239 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1iqj n ARG 240 N -1.36 0.30 -0.12 -0.67 1.85 -0.80 0.37 116.66 116.22 1iqj n ARG 240 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.68 1iqj n ARG 240 Cb 0.00 -1.12 -0.12 0.00 -1.05 0.00 0.00 32.46 30.17 1iqj n ARG 240 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1iqj n SER 241 N 0.17 1.81 -1.91 2.89 2.88 0.09 -4.15 113.62 115.40 1iqj n SER 241 Ca 0.00 -0.11 -0.10 0.00 -1.33 0.00 0.00 58.87 57.32 1iqj n SER 241 Cb 0.06 -0.31 -0.11 0.00 -0.75 0.00 0.00 64.21 63.10 1iqj n SER 241 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1iqj n MET 242 N -3.22 1.78 0.00 -1.46 2.81 0.16 0.12 117.12 117.31 1iqj n MET 242 Ca -0.44 -0.88 0.00 0.00 -1.81 0.00 0.00 57.70 54.57 1iqj n MET 242 Cb 1.01 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 1iqj n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1iqj n LYS 243 N 2.06 0.00 -1.35 0.03 4.76 -1.26 -5.05 118.16 117.36 1iqj n LYS 243 Ca 0.33 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 1iqj n LYS 243 Cb 0.78 -0.07 0.00 0.00 -1.84 0.00 0.00 35.03 33.90 1iqj n LYS 243 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iqj n THR 244 N 0.00 -7.79 -1.98 -0.18 -1.04 0.33 -5.13 114.28 98.50 1iqj n THR 244 Ca 0.00 1.70 0.00 0.00 -2.04 0.00 0.00 64.05 63.71 1iqj n THR 244 Cb 0.14 -3.91 0.00 0.00 -1.82 0.00 0.00 70.33 64.75 1iqj n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29