#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqx s SER 10 N 0.00 6.76 0.00 0.00 0.15 -1.26 -4.87 113.70 114.48 1iqx s SER 10 Ca 0.00 2.49 0.10 0.00 0.70 0.00 0.00 55.95 59.24 1iqx s SER 10 Cb 0.00 -2.61 0.57 0.00 -1.71 0.00 0.00 66.02 62.28 1iqx s SER 10 CO 0.00 -0.65 1.01 -0.81 1.20 0.00 0.00 173.24 173.99 1iqx n PRO 11 N 3.06 0.47 -0.10 5.44 -0.04 -1.26 -1.93 135.00 140.64 1iqx n PRO 11 Ca 0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1iqx n PRO 11 Cb 0.41 -1.32 0.11 0.00 -0.04 0.00 0.00 33.50 32.66 1iqx n PRO 11 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1iqx n PHE 12 N -0.82 0.26 -1.10 0.54 3.72 -1.26 -4.67 117.46 114.13 1iqx n PHE 12 Ca 0.07 -0.27 -0.32 0.00 -0.05 0.00 0.00 57.45 56.88 1iqx n PHE 12 Cb 0.03 -0.01 0.12 0.00 -0.94 0.00 0.00 39.48 38.68 1iqx n PHE 12 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1iqx s ARG 13 N -0.98 1.71 0.55 -1.08 1.70 -0.81 -4.76 118.95 115.29 1iqx s ARG 13 Ca 0.19 1.52 -0.19 0.00 -0.47 0.00 0.00 55.73 56.78 1iqx s ARG 13 Cb 0.11 -1.81 -0.05 0.00 -0.57 0.00 0.00 34.95 32.63 1iqx s ARG 13 CO 0.15 -2.11 1.15 -0.51 -1.08 0.00 0.00 175.30 172.90 1iqx s LEU 14 N -5.93 3.73 0.29 -1.89 1.43 -1.26 -4.97 118.68 110.08 1iqx s LEU 14 Ca 0.68 2.22 -0.30 0.00 -1.03 0.00 0.00 54.13 55.70 1iqx s LEU 14 Cb -0.23 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.29 1iqx s LEU 14 CO 0.53 -1.30 1.55 0.00 0.23 0.00 0.00 176.35 177.36 1iqx s ALA 15 N -1.73 3.71 0.32 4.21 0.00 -1.26 -5.00 121.76 122.00 1iqx s ALA 15 Ca 0.74 1.52 0.05 0.00 0.00 0.00 0.00 51.96 54.26 1iqx s ALA 15 Cb -0.25 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 1iqx s ALA 15 CO 0.28 -0.94 0.46 -1.54 0.00 0.00 0.00 175.76 174.03 1iqx s SER 16 N 0.42 6.11 0.25 0.00 1.04 -1.26 -4.37 113.70 115.90 1iqx s SER 16 Ca 0.62 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 57.04 1iqx s SER 16 Cb -0.46 -1.57 0.41 0.00 0.10 0.00 0.00 66.02 64.50 1iqx s SER 16 CO 0.48 -0.32 1.83 0.00 0.98 0.00 0.00 173.24 176.21 1iqx h ALA 17 N 0.92 1.26 -0.94 5.32 0.00 -1.94 -1.98 119.26 121.89 1iqx h ALA 17 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1iqx h ALA 17 Cb 1.24 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1iqx h ALA 17 CO 0.57 0.20 0.61 0.78 0.00 0.00 0.00 179.25 181.41 1iqx h GLY 18 N 0.91 1.34 1.17 0.00 0.00 -1.99 -1.53 103.07 102.96 1iqx h GLY 18 Ca 0.41 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 1iqx h GLY 18 CO -0.22 0.51 0.07 0.83 0.00 0.00 0.00 176.54 177.72 1iqx h GLU 19 N 1.29 1.02 -0.27 4.80 5.08 -1.76 -0.70 114.58 124.04 1iqx h GLU 19 Ca 0.34 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1iqx h GLU 19 Cb -0.12 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1iqx h GLU 19 CO -0.07 0.95 0.01 0.82 -1.00 0.00 0.00 179.01 179.72 1iqx h ILE 20 N 0.95 1.25 -0.61 3.13 2.04 -1.17 -0.13 117.51 122.97 1iqx h ILE 20 Ca 0.18 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1iqx h ILE 20 Cb 0.46 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1iqx h ILE 20 CO 0.02 0.29 0.30 0.28 0.00 0.00 0.00 178.15 179.04 1iqx h SER 21 N 0.26 0.77 -0.12 1.72 0.02 -1.20 -1.75 113.55 113.25 1iqx h SER 21 Ca 0.08 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1iqx h SER 21 Cb 0.41 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1iqx h SER 21 CO 0.01 0.64 -0.33 -0.08 -1.14 0.00 0.00 176.83 175.94 1iqx h GLU 22 N 0.86 0.61 -0.54 3.45 4.57 -0.77 -0.02 114.58 122.74 1iqx h GLU 22 Ca 0.21 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 1iqx h GLU 22 Cb 0.07 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1iqx h GLU 22 CO -0.03 0.86 0.17 0.28 -1.18 0.00 0.00 179.01 179.11 1iqx h VAL 23 N 0.52 1.23 0.01 0.32 2.07 -0.50 0.11 116.25 120.01 1iqx h VAL 23 Ca 0.06 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1iqx h VAL 23 Cb 0.82 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1iqx h VAL 23 CO 0.07 0.29 -0.05 -0.61 0.02 0.00 0.00 177.57 177.29 1iqx h GLN 24 N 0.75 -0.10 -0.71 1.57 4.15 -1.01 0.45 115.11 120.21 1iqx h GLN 24 Ca 0.18 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.65 1iqx h GLN 24 Cb 0.27 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 1iqx h GLN 24 CO -0.01 -0.06 0.43 0.78 -1.93 0.00 0.00 178.83 178.04 1iqx h GLY 25 N -0.10 1.04 1.06 2.39 0.00 -0.63 0.11 103.07 106.95 1iqx h GLY 25 Ca 0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1iqx h GLY 25 CO -0.05 0.22 0.10 -2.22 0.00 0.00 0.00 176.54 174.59 1iqx h ILE 26 N 0.80 1.26 -0.39 2.60 2.04 -0.47 0.34 117.51 123.69 1iqx h ILE 26 Ca 0.30 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.04 1iqx h ILE 26 Cb 0.12 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1iqx h ILE 26 CO -0.15 0.38 -0.12 -0.07 0.00 0.00 0.00 178.15 178.19 1iqx h LEU 27 N 0.99 0.79 0.26 1.44 3.38 -0.23 -2.07 115.31 119.86 1iqx h LEU 27 Ca 0.20 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1iqx h LEU 27 Cb 0.44 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1iqx h LEU 27 CO 0.01 0.98 -0.12 0.03 0.09 0.00 0.00 178.44 179.43 1iqx h ARG 28 N 0.58 -0.33 -0.79 1.13 3.08 -0.60 -0.55 114.38 116.90 1iqx h ARG 28 Ca 0.10 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.34 1iqx h ARG 28 Cb 0.65 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.72 1iqx h ARG 28 CO 0.04 -0.21 0.53 1.15 -1.07 0.00 0.00 179.97 180.42 1iqx h THR 29 N -0.36 0.75 -0.01 2.04 2.02 -0.89 0.65 112.91 117.11 1iqx h THR 29 Ca -0.04 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1iqx h THR 29 Cb 0.28 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1iqx h THR 29 CO 0.06 0.07 -0.02 0.00 0.37 0.00 0.00 175.52 176.00 1iqx n ALA 30 N -2.53 2.66 -1.09 6.16 0.00 -0.79 -4.90 120.51 120.02 1iqx n ALA 30 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 1iqx n ALA 30 Cb 0.59 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1iqx n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqx n GLY 31 N 1.12 0.62 0.10 0.00 0.00 0.22 -4.92 105.19 102.33 1iqx n GLY 31 Ca 0.20 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.47 1iqx n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iqx n LEU 32 N -0.35 1.21 -3.06 0.99 4.77 -0.26 -4.61 117.00 115.69 1iqx n LEU 32 Ca -0.03 -0.55 -0.23 0.00 -0.03 0.00 0.00 56.01 55.17 1iqx n LEU 32 Cb 0.11 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1iqx n LEU 32 CO 0.05 0.28 -0.02 -0.11 -1.33 0.00 0.00 177.39 176.25 1iqx n LEU 33 N -1.20 2.81 0.00 2.23 7.94 -1.16 -4.92 117.00 122.70 1iqx n LEU 33 Ca 0.05 -5.38 -0.15 0.00 -1.11 0.00 0.00 56.01 49.42 1iqx n LEU 33 Cb 0.36 0.03 0.12 0.00 0.53 0.00 0.00 43.42 44.46 1iqx n LEU 33 CO 0.40 2.33 0.34 0.61 -1.11 0.00 0.00 177.39 179.96 1iqx n GLY 34 N -0.01 -2.25 0.26 -3.96 0.00 -1.26 -4.72 105.19 93.26 1iqx n GLY 34 Ca 0.28 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.86 1iqx n GLY 34 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1iqx h PRO 35 N 0.00 0.00 -0.01 1.61 0.11 -2.01 -2.35 132.00 129.36 1iqx h PRO 35 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1iqx h PRO 35 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1iqx h PRO 35 CO 0.14 0.00 -0.09 0.39 -0.21 0.00 0.00 178.00 178.23 1iqx n GLU 36 N -4.48 1.17 -3.39 1.05 -0.58 -1.26 -4.91 120.64 108.25 1iqx n GLU 36 Ca -0.03 -0.59 -0.35 0.00 -0.42 0.00 0.00 57.16 55.78 1iqx n GLU 36 Cb 0.09 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.42 1iqx n GLU 36 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1iqx s LYS 37 N -2.23 3.93 0.00 3.49 -0.14 -0.88 -0.21 119.74 123.70 1iqx s LYS 37 Ca 0.34 0.43 0.01 0.00 -1.36 0.00 0.00 55.97 55.38 1iqx s LYS 37 Cb 0.20 -2.89 -0.00 0.00 -1.68 0.00 0.00 37.83 33.46 1iqx s LYS 37 CO 0.42 0.46 -0.02 1.03 -0.76 0.00 0.00 175.35 176.48 1iqx s ARG 38 N -2.08 0.16 -0.52 1.68 1.81 0.38 -4.88 118.95 115.49 1iqx s ARG 38 Ca 0.39 -0.11 -0.25 0.00 -1.72 0.00 0.00 55.73 54.04 1iqx s ARG 38 Cb -0.14 -0.13 0.04 0.00 -0.45 0.00 0.00 34.95 34.26 1iqx s ARG 38 CO 0.19 0.03 0.96 0.42 -0.68 0.00 0.00 175.30 176.23 1iqx s ILE 39 N -0.14 4.38 -0.19 1.52 -1.09 0.75 0.12 121.20 126.55 1iqx s ILE 39 Ca -0.00 0.49 0.17 0.00 -2.23 0.00 0.00 60.65 59.08 1iqx s ILE 39 Cb -0.01 -4.52 0.03 0.00 -1.58 0.00 0.00 42.46 36.37 1iqx s ILE 39 CO -0.00 -1.04 1.24 0.00 -1.23 0.00 0.00 174.94 173.90 1iqx h ALA 40 N 9.26 0.68 -2.16 9.38 0.00 -1.47 -3.41 119.26 131.55 1iqx h ALA 40 Ca -0.25 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1iqx h ALA 40 Cb 1.07 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 1iqx h ALA 40 CO 1.08 0.57 -0.05 -0.47 0.00 0.00 0.00 179.25 180.38 1iqx s TYR 41 N -3.02 -0.93 -0.04 0.00 5.04 -1.19 -4.73 117.35 112.48 1iqx s TYR 41 Ca 0.02 1.91 -0.01 0.00 -2.44 0.00 0.00 57.07 56.54 1iqx s TYR 41 Cb 0.08 0.52 0.03 0.00 0.35 0.00 0.00 41.96 42.94 1iqx s TYR 41 CO 0.76 -0.47 0.07 -1.17 -1.34 0.00 0.00 175.55 173.40 1iqx s LEU 42 N 1.46 0.63 0.01 6.97 0.20 -1.26 -0.37 118.68 126.32 1iqx s LEU 42 Ca -0.09 0.13 -0.21 0.00 0.69 0.00 0.00 54.13 54.65 1iqx s LEU 42 Cb -0.06 0.02 0.04 0.00 -0.43 0.00 0.00 46.19 45.77 1iqx s LEU 42 CO -0.16 -0.18 0.47 -0.83 -0.29 0.00 0.00 176.35 175.35 1iqx s GLY 43 N 1.53 -0.34 0.22 7.98 0.00 -0.59 -4.59 107.32 111.53 1iqx s GLY 43 Ca -0.04 0.58 -0.27 0.00 0.00 0.00 0.00 44.72 44.99 1iqx s GLY 43 CO -0.04 0.30 0.86 0.54 0.00 0.00 0.00 173.10 174.77 1iqx s VAL 44 N -1.96 4.24 0.18 1.40 0.11 -1.26 -0.40 120.40 122.71 1iqx s VAL 44 Ca -0.08 1.84 -0.13 0.00 -2.93 0.00 0.00 61.98 60.68 1iqx s VAL 44 Cb -0.02 -4.18 -0.07 0.00 -1.53 0.00 0.00 36.38 30.59 1iqx s VAL 44 CO 0.02 0.44 0.55 -0.76 -3.33 0.00 0.00 175.10 172.02 1iqx s LEU 45 N -1.35 4.28 0.49 2.54 1.43 0.13 -4.86 118.68 121.33 1iqx s LEU 45 Ca 0.40 1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 54.33 1iqx s LEU 45 Cb -0.23 -3.42 -0.08 0.00 0.03 0.00 0.00 46.19 42.49 1iqx s LEU 45 CO 0.28 0.04 1.07 -1.81 0.23 0.00 0.00 176.35 176.16 1iqx s ASP 46 N -1.93 6.24 0.55 2.29 1.01 -1.26 -4.57 116.67 119.01 1iqx s ASP 46 Ca 0.41 2.02 -0.21 0.00 0.71 0.00 0.00 52.55 55.48 1iqx s ASP 46 Cb -0.14 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 1iqx s ASP 46 CO 0.20 -0.85 1.19 -2.65 0.21 0.00 0.00 175.17 173.26 1iqx n PRO 47 N -0.91 1.36 -1.02 8.23 -0.02 -1.26 -4.95 135.00 136.43 1iqx n PRO 47 Ca 0.09 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 1iqx n PRO 47 Cb 0.52 -2.37 0.13 0.00 -0.02 0.00 0.00 33.50 31.75 1iqx n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iqx s ALA 48 N -1.36 1.88 0.08 3.55 0.00 -1.26 -4.95 121.76 119.71 1iqx s ALA 48 Ca 0.72 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.85 1iqx s ALA 48 Cb -0.43 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.23 1iqx s ALA 48 CO 0.49 -2.23 1.55 1.03 0.00 0.00 0.00 175.76 176.60 1iqx s ARG 49 N -4.68 4.23 -0.03 0.00 1.81 -1.26 -4.29 118.95 114.72 1iqx s ARG 49 Ca 0.65 2.23 -0.00 0.00 -1.72 0.00 0.00 55.73 56.89 1iqx s ARG 49 Cb -0.21 -3.46 0.00 0.00 -0.45 0.00 0.00 34.95 30.84 1iqx s ARG 49 CO 0.56 -0.64 0.00 0.41 -0.68 0.00 0.00 175.30 174.95 1iqx n GLY 50 N 3.81 -3.00 2.24 -3.53 0.00 -1.26 -4.84 105.19 98.61 1iqx n GLY 50 Ca 0.14 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1iqx n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqx n ALA 51 N 0.09 4.82 0.51 4.61 0.00 -1.26 -4.22 120.51 125.06 1iqx n ALA 51 Ca -0.00 -1.48 0.13 0.00 0.00 0.00 0.00 53.44 52.08 1iqx n ALA 51 Cb 0.00 -2.47 0.35 0.00 0.00 0.00 0.00 19.45 17.34 1iqx n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1iqx h GLY 52 N 5.88 0.00 -4.25 0.00 0.00 -1.94 -3.45 103.07 99.32 1iqx h GLY 52 Ca 0.23 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.03 1iqx h GLY 52 CO 0.57 0.00 0.59 -1.35 0.00 0.00 0.00 176.54 176.35 1iqx s SER 53 N -4.97 7.03 0.13 0.19 1.04 -1.26 -4.98 113.70 110.88 1iqx s SER 53 Ca 0.09 2.24 -0.31 0.00 0.48 0.00 0.00 55.95 58.45 1iqx s SER 53 Cb 0.10 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.54 1iqx s SER 53 CO 0.61 -0.43 1.36 -0.70 0.98 0.00 0.00 173.24 175.05 1iqx s GLU 54 N 0.07 4.34 0.52 4.02 2.12 -1.26 -4.86 118.70 123.65 1iqx s GLU 54 Ca 0.55 2.05 0.00 0.00 0.36 0.00 0.00 54.97 57.93 1iqx s GLU 54 Cb -0.33 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 30.81 1iqx s GLU 54 CO 0.35 -0.38 0.00 0.00 -0.54 0.00 0.00 175.26 174.69 1iqx n ALA 55 N 3.67 -1.94 -2.24 6.30 0.00 -1.26 -4.92 120.51 120.13 1iqx n ALA 55 Ca 0.10 0.23 -0.38 0.00 0.00 0.00 0.00 53.44 53.40 1iqx n ALA 55 Cb 0.43 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 1iqx n ALA 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1iqx s GLU 56 N -1.42 4.20 -0.40 0.00 -1.05 -1.26 -5.05 118.70 113.71 1iqx s GLU 56 Ca 0.00 0.74 0.01 0.00 -0.15 0.00 0.00 54.97 55.58 1iqx s GLU 56 Cb 0.00 -3.14 0.14 0.00 -0.44 0.00 0.00 34.13 30.69 1iqx s GLU 56 CO 0.00 0.58 0.24 0.34 0.95 0.00 0.00 175.26 177.37 1iqx s ASP 57 N -1.29 3.12 -0.50 0.83 2.15 -1.26 -4.94 116.67 114.79 1iqx s ASP 57 Ca 0.33 -2.47 -0.29 0.00 0.43 0.00 0.00 52.55 50.56 1iqx s ASP 57 Cb -0.19 -0.66 0.02 0.00 -0.30 0.00 0.00 42.92 41.79 1iqx s ASP 57 CO 0.20 -0.28 1.30 -0.13 -0.17 0.00 0.00 175.17 176.09 1iqx s ARG 58 N 0.66 3.54 -0.05 4.34 1.81 -1.26 -4.94 118.95 123.05 1iqx s ARG 58 Ca 0.19 0.60 -0.01 0.00 -1.72 0.00 0.00 55.73 54.79 1iqx s ARG 58 Cb -0.21 -4.01 -0.03 0.00 -0.45 0.00 0.00 34.95 30.24 1iqx s ARG 58 CO -0.02 -1.63 0.02 1.03 -0.68 0.00 0.00 175.30 174.02 1iqx s ARG 59 N 4.95 2.94 -0.05 3.54 0.52 -1.26 -1.37 118.95 128.22 1iqx s ARG 59 Ca 0.52 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 55.31 1iqx s ARG 59 Cb -0.10 -2.77 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 1iqx s ARG 59 CO 0.29 0.67 -0.21 -0.06 0.02 0.00 0.00 175.30 176.01 1iqx s PHE 60 N -0.99 2.10 -0.10 -0.53 0.40 -0.04 0.18 117.98 118.99 1iqx s PHE 60 Ca 0.17 -0.61 -0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1iqx s PHE 60 Cb -0.11 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1iqx s PHE 60 CO 0.06 -0.19 0.08 0.50 0.70 0.00 0.00 175.22 176.38 1iqx s ARG 61 N -0.09 3.24 0.01 0.44 3.52 0.46 -0.78 118.95 125.75 1iqx s ARG 61 Ca -0.03 -0.26 0.02 0.00 -0.13 0.00 0.00 55.73 55.33 1iqx s ARG 61 Cb -0.13 -3.02 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1iqx s ARG 61 CO 0.03 0.74 -0.06 0.08 -0.81 0.00 0.00 175.30 175.29 1iqx s VAL 62 N -0.98 0.41 -0.24 7.11 1.01 0.17 -1.54 120.40 126.35 1iqx s VAL 62 Ca 0.15 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1iqx s VAL 62 Cb -0.12 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1iqx s VAL 62 CO 0.04 -0.05 -0.04 -0.36 0.00 0.00 0.00 175.10 174.68 1iqx s PHE 63 N -0.51 3.01 -0.22 5.22 0.08 0.50 -0.89 117.98 125.16 1iqx s PHE 63 Ca -0.02 -1.17 -0.05 0.00 0.12 0.00 0.00 56.93 55.80 1iqx s PHE 63 Cb -0.04 -2.10 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1iqx s PHE 63 CO -0.00 -0.62 0.01 0.42 -0.10 0.00 0.00 175.22 174.93 1iqx s ILE 64 N 1.42 3.91 0.15 0.64 1.01 0.61 -1.18 121.20 127.77 1iqx s ILE 64 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 1iqx s ILE 64 Cb -0.15 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 1iqx s ILE 64 CO -0.03 0.40 0.34 -2.28 0.00 0.00 0.00 174.94 173.36 1iqx s HIS 65 N 1.32 3.49 -0.24 3.97 5.65 0.12 -1.38 115.29 128.22 1iqx s HIS 65 Ca 0.04 0.37 0.02 0.00 0.25 0.00 0.00 55.06 55.75 1iqx s HIS 65 Cb -0.15 -1.87 0.05 0.00 -1.18 0.00 0.00 32.58 29.44 1iqx s HIS 65 CO 0.01 0.45 -0.13 0.34 -0.65 0.00 0.00 174.74 174.76 1iqx s ASP 66 N -2.80 4.03 0.27 9.88 -1.08 -1.26 -0.47 116.67 125.23 1iqx s ASP 66 Ca 0.38 -1.17 0.22 0.00 -0.52 0.00 0.00 52.55 51.46 1iqx s ASP 66 Cb -0.12 -1.49 1.02 0.00 -1.46 0.00 0.00 42.92 40.87 1iqx s ASP 66 CO 0.27 -0.14 1.67 1.33 0.52 0.00 0.00 175.17 178.82 1iqx n VAL 67 N 4.51 0.94 1.18 1.11 0.24 0.71 -1.58 118.33 125.44 1iqx n VAL 67 Ca -0.16 0.43 0.13 0.00 -2.04 0.00 0.00 64.34 62.70 1iqx n VAL 67 Cb 0.44 -1.39 0.39 0.00 -1.47 0.00 0.00 33.84 31.81 1iqx n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1iqx n SER 68 N -2.21 0.70 0.00 -1.34 3.41 -1.26 -4.92 113.62 108.00 1iqx n SER 68 Ca 0.01 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1iqx n SER 68 Cb 0.15 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1iqx n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqx n GLY 69 N 1.39 0.73 3.74 5.00 0.00 -0.61 -5.06 105.19 110.37 1iqx n GLY 69 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1iqx n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqx s ALA 70 N -2.00 1.79 0.33 4.61 0.00 -1.26 -4.96 121.76 120.27 1iqx s ALA 70 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 1iqx s ALA 70 Cb 0.00 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 1iqx s ALA 70 CO 0.00 -2.14 1.33 1.03 0.00 0.00 0.00 175.76 175.98 1iqx s ARG 71 N -4.98 4.33 0.89 0.00 0.52 -1.26 -4.44 118.95 114.01 1iqx s ARG 71 Ca 0.63 2.26 -0.12 0.00 -0.52 0.00 0.00 55.73 57.97 1iqx s ARG 71 Cb -0.17 -3.06 0.13 0.00 0.52 0.00 0.00 34.95 32.36 1iqx s ARG 71 CO 0.56 -0.23 1.16 -1.25 0.02 0.00 0.00 175.30 175.56 1iqx s PRO 72 N -1.76 1.33 0.04 3.54 0.04 -1.26 -4.76 135.00 132.17 1iqx s PRO 72 Ca 0.50 0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.77 1iqx s PRO 72 Cb -0.41 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1iqx s PRO 72 CO 0.54 -2.05 -0.08 -0.65 0.04 0.00 0.00 177.00 174.79 1iqx s GLN 73 N -5.39 0.55 -0.20 4.56 -0.21 -0.48 -0.28 119.66 118.21 1iqx s GLN 73 Ca 0.64 -0.78 -0.05 0.00 0.02 0.00 0.00 55.36 55.19 1iqx s GLN 73 Cb -0.13 -0.32 -0.03 0.00 1.00 0.00 0.00 33.01 33.53 1iqx s GLN 73 CO 0.52 0.06 0.01 -2.00 -2.12 0.00 0.00 175.29 171.76 1iqx s GLU 74 N -1.62 3.66 -0.01 2.91 2.12 -0.01 -0.28 118.70 125.47 1iqx s GLU 74 Ca -0.09 -0.50 0.03 0.00 0.36 0.00 0.00 54.97 54.76 1iqx s GLU 74 Cb -0.10 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 1iqx s GLU 74 CO 0.00 0.04 -0.09 0.08 -0.54 0.00 0.00 175.26 174.76 1iqx s VAL 75 N 0.94 0.67 -0.11 3.70 1.01 -0.07 -0.95 120.40 125.60 1iqx s VAL 75 Ca 0.02 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1iqx s VAL 75 Cb -0.14 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 1iqx s VAL 75 CO 0.02 0.19 -0.22 -0.89 0.00 0.00 0.00 175.10 174.20 1iqx s THR 76 N -0.20 2.28 0.18 3.92 2.01 -0.33 0.43 115.64 123.93 1iqx s THR 76 Ca 0.03 -0.94 0.10 0.00 0.31 0.00 0.00 61.69 61.19 1iqx s THR 76 Cb -0.03 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1iqx s THR 76 CO -0.00 0.55 -0.21 0.68 -0.69 0.00 0.00 174.62 174.95 1iqx s VAL 77 N 0.34 2.10 -0.45 3.82 -7.23 0.04 -0.34 120.40 118.67 1iqx s VAL 77 Ca -0.17 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 57.92 1iqx s VAL 77 Cb -0.18 -1.98 0.09 0.00 0.56 0.00 0.00 36.38 34.87 1iqx s VAL 77 CO 0.08 -0.20 0.33 -0.55 -0.31 0.00 0.00 175.10 174.45 1iqx s SER 78 N -2.65 5.84 0.41 4.85 0.15 0.31 -0.86 113.70 121.75 1iqx s SER 78 Ca 0.18 -1.55 0.16 0.00 0.70 0.00 0.00 55.95 55.44 1iqx s SER 78 Cb -0.07 -2.07 0.89 0.00 -1.71 0.00 0.00 66.02 63.06 1iqx s SER 78 CO 0.08 -0.62 1.89 1.62 1.20 0.00 0.00 173.24 177.40 1iqx h VAL 79 N 5.98 1.08 -0.07 4.45 3.04 -1.49 0.60 116.25 129.83 1iqx h VAL 79 Ca -0.25 -1.07 -0.00 0.00 -1.01 0.00 0.00 66.70 64.37 1iqx h VAL 79 Cb 1.09 1.60 -0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1iqx h VAL 79 CO 0.83 0.29 0.03 0.74 -1.01 0.00 0.00 177.57 178.45 1iqx h THR 80 N 0.00 1.14 -0.01 3.17 2.02 -1.92 -3.20 112.91 114.12 1iqx h THR 80 Ca -0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1iqx h THR 80 Cb 0.58 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1iqx h THR 80 CO 0.04 0.12 -0.18 0.59 0.37 0.00 0.00 175.52 176.46 1iqx n ASN 81 N -4.94 1.49 -2.85 4.18 3.02 -1.11 -4.96 115.26 110.09 1iqx n ASN 81 Ca -0.06 -1.27 -0.20 0.00 -0.03 0.00 0.00 54.58 53.02 1iqx n ASN 81 Cb 0.11 0.13 0.05 0.00 -0.61 0.00 0.00 39.78 39.46 1iqx n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iqx n GLY 82 N 1.30 -0.33 3.41 7.41 0.00 0.16 -5.00 105.19 112.13 1iqx n GLY 82 Ca 0.14 0.05 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1iqx n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iqx s THR 83 N -3.17 1.66 -0.34 2.61 -4.23 -0.93 -4.97 115.64 106.26 1iqx s THR 83 Ca 0.37 -2.14 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 1iqx s THR 83 Cb -0.16 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.30 1iqx s THR 83 CO 0.46 -0.35 0.19 -0.69 -0.54 0.00 0.00 174.62 173.70 1iqx s VAL 84 N -3.01 4.72 0.07 2.29 1.01 -1.26 -0.53 120.40 123.69 1iqx s VAL 84 Ca 0.28 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1iqx s VAL 84 Cb 0.03 -3.51 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 1iqx s VAL 84 CO 0.11 -0.08 1.33 0.40 0.00 0.00 0.00 175.10 176.86 1iqx h ILE 85 N 5.72 1.33 -2.24 2.22 1.08 -1.01 -3.48 117.51 121.13 1iqx h ILE 85 Ca -0.29 -1.62 -0.02 0.00 -0.39 0.00 0.00 64.86 62.53 1iqx h ILE 85 Cb 1.13 1.88 -0.17 0.00 -3.07 0.00 0.00 36.82 36.59 1iqx h ILE 85 CO 0.64 0.50 0.26 -0.94 -0.69 0.00 0.00 178.15 177.92 1iqx s SER 86 N -6.59 -0.58 -0.18 1.72 1.04 -1.06 -4.98 113.70 103.05 1iqx s SER 86 Ca -0.13 0.44 -0.06 0.00 0.48 0.00 0.00 55.95 56.68 1iqx s SER 86 Cb 0.07 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.80 1iqx s SER 86 CO 0.83 -0.68 0.38 0.00 0.98 0.00 0.00 173.24 174.75 1iqx s ALA 87 N -2.01 -1.03 -0.02 5.32 0.00 -1.26 -1.19 121.76 121.58 1iqx s ALA 87 Ca -0.06 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.32 1iqx s ALA 87 Cb -0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1iqx s ALA 87 CO 0.01 -0.75 -0.15 0.14 0.00 0.00 0.00 175.76 175.02 1iqx s VAL 88 N 2.57 1.21 0.09 0.00 -7.23 -0.13 -4.98 120.40 111.94 1iqx s VAL 88 Ca -0.01 -0.64 -0.24 0.00 -1.81 0.00 0.00 61.98 59.28 1iqx s VAL 88 Cb -0.12 -1.02 -0.06 0.00 0.56 0.00 0.00 36.38 35.74 1iqx s VAL 88 CO -0.12 0.35 0.74 -0.70 -0.31 0.00 0.00 175.10 175.06 1iqx s GLU 89 N -0.27 4.48 -0.10 4.82 2.12 -1.26 -0.83 118.70 127.67 1iqx s GLU 89 Ca 0.04 1.05 -0.05 0.00 0.36 0.00 0.00 54.97 56.37 1iqx s GLU 89 Cb -0.07 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1iqx s GLU 89 CO -0.00 0.42 0.11 -0.51 -0.54 0.00 0.00 175.26 174.75 1iqx s LEU 90 N -0.55 4.21 -0.78 2.70 1.43 0.62 -4.94 118.68 121.36 1iqx s LEU 90 Ca 0.36 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.70 1iqx s LEU 90 Cb -0.21 -2.09 0.21 0.00 0.03 0.00 0.00 46.19 44.13 1iqx s LEU 90 CO 0.23 0.38 0.72 -0.62 0.23 0.00 0.00 176.35 177.29 1iqx s ASP 91 N -1.13 6.61 0.51 2.29 3.68 -1.26 -4.20 116.67 123.17 1iqx s ASP 91 Ca 0.16 -2.59 0.19 0.00 2.13 0.00 0.00 52.55 52.44 1iqx s ASP 91 Cb -0.12 -2.19 1.27 0.00 -1.45 0.00 0.00 42.92 40.43 1iqx s ASP 91 CO 0.06 -0.60 2.06 0.71 0.13 0.00 0.00 175.17 177.53 1iqx h THR 92 N 4.94 0.88 0.00 1.71 1.35 -1.93 -0.80 112.91 119.06 1iqx h THR 92 Ca 0.05 -0.03 -0.05 0.00 -0.55 0.00 0.00 66.41 65.83 1iqx h THR 92 Cb 1.04 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1iqx h THR 92 CO 0.78 0.02 -0.23 0.00 -0.25 0.00 0.00 175.52 175.84 1iqx h ALA 93 N 1.84 1.48 0.00 6.62 0.00 -1.87 -0.09 119.26 127.23 1iqx h ALA 93 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1iqx h ALA 93 Cb 0.49 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1iqx h ALA 93 CO -0.01 0.29 -0.55 0.00 0.00 0.00 0.00 179.25 178.97 1iqx h ALA 94 N 1.77 0.02 -0.00 0.00 0.00 -1.62 -3.43 119.26 116.00 1iqx h ALA 94 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1iqx h ALA 94 Cb 0.45 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1iqx h ALA 94 CO 0.03 0.51 -0.39 0.25 0.00 0.00 0.00 179.25 179.64 1iqx n THR 95 N -4.61 0.00 0.00 0.00 -2.24 -0.49 -4.87 114.28 102.07 1iqx n THR 95 Ca -0.09 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1iqx n THR 95 Cb 0.29 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1iqx n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqx n GLY 96 N 1.44 2.92 3.86 3.38 0.00 -0.05 -4.44 105.19 112.30 1iqx n GLY 96 Ca 0.08 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 1iqx n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqx s GLU 97 N -3.91 2.71 0.68 1.61 0.41 -0.04 -4.46 118.70 115.70 1iqx s GLU 97 Ca 0.00 0.54 -0.11 0.00 -0.41 0.00 0.00 54.97 54.99 1iqx s GLU 97 Cb 0.00 -2.00 -0.00 0.00 -1.78 0.00 0.00 34.13 30.35 1iqx s GLU 97 CO 0.00 -1.16 1.06 -0.51 -0.49 0.00 0.00 175.26 174.15 1iqx s LEU 98 N -5.46 3.09 0.72 1.80 1.43 -1.26 -4.05 118.68 114.95 1iqx s LEU 98 Ca 0.59 1.48 -0.16 0.00 -1.03 0.00 0.00 54.13 55.00 1iqx s LEU 98 Cb -0.12 -4.38 -0.02 0.00 0.03 0.00 0.00 46.19 41.70 1iqx s LEU 98 CO 0.53 -1.29 0.70 -2.65 0.23 0.00 0.00 176.35 173.87 1iqx n PRO 99 N -3.02 0.37 -2.08 1.29 -0.02 -1.26 -4.75 135.00 125.53 1iqx n PRO 99 Ca 0.07 0.17 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 1iqx n PRO 99 Cb 0.54 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 1iqx n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iqx s VAL 100 N -1.88 2.86 0.15 -1.45 1.01 -0.27 -4.94 120.40 115.88 1iqx s VAL 100 Ca 0.68 0.71 -0.24 0.00 0.00 0.00 0.00 61.98 63.14 1iqx s VAL 100 Cb -0.35 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 1iqx s VAL 100 CO 0.55 0.11 0.73 -0.76 0.00 0.00 0.00 175.10 175.73 1iqx s LEU 101 N -0.18 4.57 0.41 3.92 1.43 -1.26 -4.85 118.68 122.71 1iqx s LEU 101 Ca 0.59 1.56 0.12 0.00 -1.03 0.00 0.00 54.13 55.37 1iqx s LEU 101 Cb -0.40 -3.23 0.94 0.00 0.03 0.00 0.00 46.19 43.52 1iqx s LEU 101 CO 0.41 0.21 1.96 -0.08 0.23 0.00 0.00 176.35 179.08 1iqx h GLU 102 N 4.31 0.51 0.00 1.70 4.81 -1.95 -0.98 114.58 122.97 1iqx h GLU 102 Ca -0.48 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 1iqx h GLU 102 Cb 1.21 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1iqx h GLU 102 CO 0.65 0.34 -0.19 1.05 -0.73 0.00 0.00 179.01 180.13 1iqx h GLU 103 N 0.52 0.00 0.00 1.92 4.11 -2.03 -2.92 114.58 116.19 1iqx h GLU 103 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1iqx h GLU 103 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1iqx h GLU 103 CO -0.10 0.19 0.00 0.39 0.07 0.00 0.00 179.01 179.56 1iqx n GLU 104 N -3.41 0.21 0.25 1.06 1.02 -0.38 -3.89 120.64 115.50 1iqx n GLU 104 Ca -0.00 0.22 -0.16 0.00 -0.02 0.00 0.00 57.16 57.20 1iqx n GLU 104 Cb 0.39 -1.77 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 1iqx n GLU 104 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1iqx h PHE 105 N 0.00 -0.57 0.00 -0.32 0.04 -1.53 -2.84 116.94 111.72 1iqx h PHE 105 Ca 0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1iqx h PHE 105 Cb 0.63 0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.97 1iqx h PHE 105 CO 0.00 -0.35 -0.05 1.05 -0.60 0.00 0.00 178.31 178.36 1iqx h GLU 106 N -0.60 0.00 -0.84 1.51 4.11 -1.77 -3.17 114.58 113.82 1iqx h GLU 106 Ca -0.06 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.42 1iqx h GLU 106 Cb 0.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1iqx h GLU 106 CO 0.09 0.05 0.55 0.28 0.07 0.00 0.00 179.01 180.06 1iqx h VAL 107 N 0.00 1.09 -0.05 -1.06 2.07 -1.66 -2.96 116.25 113.67 1iqx h VAL 107 Ca -0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1iqx h VAL 107 Cb 0.25 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1iqx h VAL 107 CO 0.01 0.18 0.03 0.58 0.02 0.00 0.00 177.57 178.39 1iqx h VAL 108 N 0.98 1.02 -0.48 2.57 2.07 -1.67 -0.95 116.25 119.79 1iqx h VAL 108 Ca 0.35 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.78 1iqx h VAL 108 Cb 0.14 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1iqx h VAL 108 CO -0.12 0.02 0.06 -0.08 0.02 0.00 0.00 177.57 177.47 1iqx h GLU 109 N 0.07 0.81 -0.04 1.57 4.81 -1.77 -2.10 114.58 117.92 1iqx h GLU 109 Ca 0.02 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1iqx h GLU 109 Cb -0.00 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1iqx h GLU 109 CO -0.00 0.82 -0.04 1.96 -0.73 0.00 0.00 179.01 181.01 1iqx h GLN 110 N 0.67 -0.06 -0.40 1.92 4.20 -1.36 -1.14 115.11 118.95 1iqx h GLN 110 Ca 0.14 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 1iqx h GLN 110 Cb 0.42 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1iqx h GLN 110 CO 0.01 -0.04 0.11 -0.07 -0.67 0.00 0.00 178.83 178.18 1iqx h LEU 111 N -0.06 0.60 -1.62 1.46 3.38 -1.12 -2.95 115.31 115.01 1iqx h LEU 111 Ca 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1iqx h LEU 111 Cb 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1iqx h LEU 111 CO -0.07 0.67 -0.07 -0.07 0.09 0.00 0.00 178.44 178.98 1iqx h LEU 112 N 0.51 0.14 -2.43 1.67 3.38 -1.25 -2.79 115.31 114.54 1iqx h LEU 112 Ca 0.13 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1iqx h LEU 112 Cb 0.29 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1iqx h LEU 112 CO -0.00 0.24 0.17 0.00 0.09 0.00 0.00 178.44 178.94 1iqx h ALA 113 N 1.78 1.40 -0.09 1.53 0.00 -1.02 -1.60 119.26 121.25 1iqx h ALA 113 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iqx h ALA 113 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1iqx h ALA 113 CO 0.01 -0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.31 1iqx n THR 114 N -3.30 1.13 -3.13 0.00 -2.24 -1.06 -4.91 114.28 100.76 1iqx n THR 114 Ca -0.01 -1.15 -0.39 0.00 -2.27 0.00 0.00 64.05 60.23 1iqx n THR 114 Cb 0.25 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 1iqx n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iqx s ASP 115 N -1.21 6.90 0.30 3.42 -1.08 -0.60 -4.96 116.67 119.43 1iqx s ASP 115 Ca 0.10 1.08 0.10 0.00 -0.52 0.00 0.00 52.55 53.32 1iqx s ASP 115 Cb 0.07 -2.37 0.46 0.00 -1.46 0.00 0.00 42.92 39.62 1iqx s ASP 115 CO 0.04 -0.07 1.68 1.05 0.52 0.00 0.00 175.17 178.39 1iqx h GLU 116 N 6.67 0.03 -0.58 4.34 4.11 -1.94 -0.89 114.58 126.33 1iqx h GLU 116 Ca -0.41 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 58.91 1iqx h GLU 116 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1iqx h GLU 116 CO 0.75 0.56 0.03 0.00 0.07 0.00 0.00 179.01 180.41 1iqx h ARG 117 N 0.03 1.00 -0.02 1.06 3.08 -1.95 -0.39 114.38 117.19 1iqx h ARG 117 Ca -0.00 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 1iqx h ARG 117 Cb 0.95 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 1iqx h ARG 117 CO 0.07 0.98 -0.00 2.35 -1.07 0.00 0.00 179.97 182.30 1iqx h TRP 118 N 0.89 0.04 -0.86 3.04 2.91 -1.82 -2.12 115.95 118.03 1iqx h TRP 118 Ca 0.17 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.22 1iqx h TRP 118 Cb 0.51 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 29.10 1iqx h TRP 118 CO 0.04 0.35 0.57 -0.07 -1.03 0.00 0.00 178.44 178.30 1iqx h LEU 119 N -0.28 0.90 -0.63 0.65 3.38 -1.09 -0.67 115.31 117.57 1iqx h LEU 119 Ca 0.01 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1iqx h LEU 119 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1iqx h LEU 119 CO 0.00 0.60 0.07 0.50 0.09 0.00 0.00 178.44 179.70 1iqx h LYS 120 N 1.04 1.07 -0.66 1.13 3.64 -0.97 0.17 116.57 121.98 1iqx h LYS 120 Ca 0.35 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1iqx h LYS 120 Cb 0.09 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1iqx h LYS 120 CO -0.11 1.01 0.13 0.00 -2.27 0.00 0.00 179.45 178.20 1iqx h ALA 121 N 1.02 0.88 -0.42 5.00 0.00 -0.63 -1.48 119.26 123.63 1iqx h ALA 121 Ca 0.19 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1iqx h ALA 121 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1iqx h ALA 121 CO 0.02 0.63 -0.33 -0.07 0.00 0.00 0.00 179.25 179.50 1iqx h LEU 122 N 1.01 1.01 -1.37 0.00 3.38 -0.87 -2.93 115.31 115.55 1iqx h LEU 122 Ca 0.20 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1iqx h LEU 122 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1iqx h LEU 122 CO 0.01 1.24 0.02 0.00 0.09 0.00 0.00 178.44 179.80 1iqx h ALA 123 N 0.82 1.49 0.00 1.53 0.00 -0.79 -0.12 119.26 122.19 1iqx h ALA 123 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1iqx h ALA 123 Cb 0.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1iqx h ALA 123 CO 0.09 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1iqx h ALA 124 N 1.60 1.00 -0.08 0.00 0.00 -1.08 -1.68 119.26 119.02 1iqx h ALA 124 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1iqx h ALA 124 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1iqx h ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1iqx n ARG 125 N -2.75 0.99 -3.22 0.00 1.74 -0.32 -4.98 116.66 108.12 1iqx n ARG 125 Ca 0.00 -1.31 -0.22 0.00 -0.77 0.00 0.00 57.85 55.56 1iqx n ARG 125 Cb 0.22 -1.20 0.05 0.00 -1.02 0.00 0.00 32.46 30.51 1iqx n ARG 125 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1iqx n ASN 126 N 0.52 -5.99 -4.73 0.55 3.02 -0.21 -4.99 115.26 103.42 1iqx n ASN 126 Ca 0.07 -0.37 -0.35 0.00 -0.03 0.00 0.00 54.58 53.89 1iqx n ASN 126 Cb 0.29 -4.73 -0.08 0.00 -0.61 0.00 0.00 39.78 34.65 1iqx n ASN 126 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1iqx s LEU 127 N -6.57 3.91 -0.21 3.41 1.43 -0.35 -5.01 118.68 115.29 1iqx s LEU 127 Ca 0.40 0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 53.44 1iqx s LEU 127 Cb -0.18 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1iqx s LEU 127 CO 0.50 0.33 1.04 -0.62 0.23 0.00 0.00 176.35 177.83 1iqx s ASP 128 N -0.58 7.11 0.43 2.29 2.15 -1.26 -4.44 116.67 122.37 1iqx s ASP 128 Ca 0.11 1.41 0.16 0.00 0.43 0.00 0.00 52.55 54.65 1iqx s ASP 128 Cb -0.12 -2.54 1.06 0.00 -0.30 0.00 0.00 42.92 41.02 1iqx s ASP 128 CO 0.02 -0.65 1.94 1.62 -0.17 0.00 0.00 175.17 177.94 1iqx h VAL 129 N 5.41 0.82 0.00 1.11 3.04 -1.95 0.73 116.25 125.40 1iqx h VAL 129 Ca -0.21 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1iqx h VAL 129 Cb 1.07 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1iqx h VAL 129 CO 0.96 0.07 0.00 -1.54 -1.01 0.00 0.00 177.57 176.06 1iqx n SER 130 N -4.47 0.00 -0.25 3.17 3.41 -1.26 -1.99 113.62 112.22 1iqx n SER 130 Ca 0.13 0.19 0.03 0.00 -0.26 0.00 0.00 58.87 58.96 1iqx n SER 130 Cb 0.49 -0.34 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 1iqx n SER 130 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1iqx n LYS 131 N -1.34 0.18 -3.22 4.33 5.02 0.24 -4.95 118.16 118.43 1iqx n LYS 131 Ca 0.06 -0.85 -0.43 0.00 -2.02 0.00 0.00 58.31 55.06 1iqx n LYS 131 Cb 0.12 -1.11 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 1iqx n LYS 131 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1iqx s VAL 132 N -0.61 4.96 0.34 -0.18 1.01 -0.84 -0.44 120.40 124.64 1iqx s VAL 132 Ca 0.08 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 1iqx s VAL 132 Cb 0.06 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1iqx s VAL 132 CO 0.09 -0.65 0.91 -0.13 0.00 0.00 0.00 175.10 175.32 1iqx s ARG 133 N 2.43 4.41 -0.10 2.72 1.81 0.78 -4.88 118.95 126.11 1iqx s ARG 133 Ca 0.14 1.17 0.03 0.00 -1.72 0.00 0.00 55.73 55.36 1iqx s ARG 133 Cb -0.18 -2.61 0.01 0.00 -0.45 0.00 0.00 34.95 31.71 1iqx s ARG 133 CO 0.13 0.20 -0.21 0.08 -0.68 0.00 0.00 175.30 174.82 1iqx s VAL 134 N -1.79 1.83 -0.36 3.52 1.01 -1.26 -0.82 120.40 122.53 1iqx s VAL 134 Ca 0.53 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 1iqx s VAL 134 Cb -0.15 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1iqx s VAL 134 CO 0.20 0.51 0.74 0.00 0.00 0.00 0.00 175.10 176.55 1iqx s ALA 135 N 0.54 3.44 -0.65 5.51 0.00 0.18 -4.76 121.76 126.02 1iqx s ALA 135 Ca -0.15 -0.71 -0.28 0.00 0.00 0.00 0.00 51.96 50.82 1iqx s ALA 135 Cb -0.17 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1iqx s ALA 135 CO 0.05 -1.45 1.23 -1.25 0.00 0.00 0.00 175.76 174.34 1iqx s PRO 136 N 2.99 3.37 0.12 0.00 0.04 -1.26 -2.66 135.00 137.60 1iqx s PRO 136 Ca 0.29 0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.44 1iqx s PRO 136 Cb -0.14 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 1iqx s PRO 136 CO 0.16 -1.88 -0.12 -0.51 0.04 0.00 0.00 177.00 174.69 1iqx s LEU 137 N 5.28 2.93 0.63 -3.56 1.43 0.03 -4.93 118.68 120.49 1iqx s LEU 137 Ca 0.39 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 1iqx s LEU 137 Cb -0.08 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1iqx s LEU 137 CO 0.21 0.16 1.16 -1.54 0.23 0.00 0.00 176.35 176.57 1iqx n SER 138 N 0.61 1.52 -0.04 2.29 3.41 -1.26 -0.89 113.62 119.27 1iqx n SER 138 Ca -0.14 0.82 -0.09 0.00 -0.26 0.00 0.00 58.87 59.20 1iqx n SER 138 Cb 0.53 -1.49 -0.14 0.00 -0.26 0.00 0.00 64.21 62.85 1iqx n SER 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iqx n ALA 139 N -1.86 1.51 -0.25 7.33 0.00 -1.26 -4.58 120.51 121.41 1iqx n ALA 139 Ca 0.15 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1iqx n ALA 139 Cb 0.48 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1iqx n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqx n GLY 140 N 1.59 -1.35 2.81 0.00 0.00 -1.26 -4.76 105.19 102.22 1iqx n GLY 140 Ca -0.20 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 1iqx n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iqx s VAL 141 N 0.00 0.83 0.00 1.61 1.01 -1.26 -4.51 120.40 118.08 1iqx s VAL 141 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1iqx s VAL 141 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1iqx s VAL 141 CO 0.00 -0.05 0.00 0.49 0.00 0.00 0.00 175.10 175.54 1iqx n PHE 142 N 4.95 0.00 1.28 5.22 3.72 -1.26 -4.85 117.46 126.51 1iqx n PHE 142 Ca -0.10 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.37 1iqx n PHE 142 Cb 0.47 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.27 1iqx n PHE 142 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1iqx n GLU 143 N 0.00 1.58 -2.76 -1.08 0.00 -1.26 -4.76 120.64 112.37 1iqx n GLU 143 Ca 0.00 -0.90 -0.43 0.00 0.00 0.00 0.00 57.16 55.84 1iqx n GLU 143 Cb 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 31.44 30.13 1iqx n GLU 143 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1iqx s TYR 144 N -1.74 2.91 0.41 -1.84 2.02 -1.26 -4.87 117.35 112.98 1iqx s TYR 144 Ca 0.24 -1.28 0.16 0.00 -0.37 0.00 0.00 57.07 55.82 1iqx s TYR 144 Cb 0.13 -4.48 1.04 0.00 -0.40 0.00 0.00 41.96 38.24 1iqx s TYR 144 CO 0.18 -1.68 1.87 0.00 -1.57 0.00 0.00 175.55 174.36 1iqx h ALA 145 N 8.93 2.13 0.00 3.71 0.00 -2.01 0.28 119.26 132.30 1iqx h ALA 145 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1iqx h ALA 145 Cb 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1iqx h ALA 145 CO 1.27 -0.38 0.00 -0.85 0.00 0.00 0.00 179.25 179.29 1iqx n GLU 146 N -4.51 0.07 0.11 0.00 0.00 -1.26 -2.50 120.64 112.55 1iqx n GLU 146 Ca 0.18 0.24 0.12 0.00 0.00 0.00 0.00 57.16 57.70 1iqx n GLU 146 Cb 0.62 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.69 1iqx n GLU 146 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1iqx h GLU 147 N 0.00 0.00 -6.14 3.44 5.08 -1.32 -3.44 114.58 112.20 1iqx h GLU 147 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1iqx h GLU 147 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1iqx h GLU 147 CO 0.00 0.00 1.36 1.03 -1.00 0.00 0.00 179.01 180.40 1iqx s ARG 148 N -3.25 3.36 0.00 2.33 0.52 -1.04 -1.14 118.95 119.74 1iqx s ARG 148 Ca 0.04 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.13 1iqx s ARG 148 Cb 0.10 -4.26 0.00 0.00 0.52 0.00 0.00 34.95 31.31 1iqx s ARG 148 CO 0.73 -1.83 0.00 0.41 0.02 0.00 0.00 175.30 174.63 1iqx n GLY 149 N 5.42 0.36 3.83 -3.53 0.00 -1.26 -4.92 105.19 105.09 1iqx n GLY 149 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 1iqx n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iqx s ARG 150 N -0.94 3.02 -0.55 1.61 0.52 -0.29 -4.80 118.95 117.52 1iqx s ARG 150 Ca 0.00 -0.78 -0.19 0.00 -0.52 0.00 0.00 55.73 54.25 1iqx s ARG 150 Cb 0.00 -2.73 0.08 0.00 0.52 0.00 0.00 34.95 32.82 1iqx s ARG 150 CO 0.00 0.51 0.65 1.03 0.02 0.00 0.00 175.30 177.50 1iqx s ARG 151 N -3.00 3.07 0.02 3.54 0.52 -1.26 -4.99 118.95 116.85 1iqx s ARG 151 Ca 0.32 -1.14 0.03 0.00 -0.52 0.00 0.00 55.73 54.41 1iqx s ARG 151 Cb -0.11 -4.18 -0.04 0.00 0.52 0.00 0.00 34.95 31.14 1iqx s ARG 151 CO 0.24 -1.36 -0.02 0.42 0.02 0.00 0.00 175.30 174.60 1iqx s ILE 152 N 2.57 3.98 0.02 1.52 -1.09 -1.26 -1.25 121.20 125.69 1iqx s ILE 152 Ca 0.12 -0.74 0.04 0.00 -2.23 0.00 0.00 60.65 57.84 1iqx s ILE 152 Cb -0.22 -2.79 -0.02 0.00 -1.58 0.00 0.00 42.46 37.85 1iqx s ILE 152 CO 0.09 0.32 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.25 1iqx s LEU 153 N -1.69 2.12 0.08 2.97 1.43 -0.47 -4.18 118.68 118.94 1iqx s LEU 153 Ca 0.20 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1iqx s LEU 153 Cb -0.11 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 1iqx s LEU 153 CO 0.11 0.02 0.05 -0.13 0.23 0.00 0.00 176.35 176.64 1iqx s ARG 154 N -0.82 2.77 -0.03 1.70 0.52 -0.07 -0.80 118.95 122.22 1iqx s ARG 154 Ca 0.00 -0.74 0.06 0.00 -0.52 0.00 0.00 55.73 54.53 1iqx s ARG 154 Cb -0.06 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.73 1iqx s ARG 154 CO 0.00 0.56 -0.21 0.20 0.02 0.00 0.00 175.30 175.87 1iqx s GLY 155 N -2.36 1.06 -0.05 -3.53 0.00 0.13 -0.79 107.32 101.77 1iqx s GLY 155 Ca 0.28 -0.87 0.05 0.00 0.00 0.00 0.00 44.72 44.18 1iqx s GLY 155 CO 0.21 -0.60 -0.20 1.08 0.00 0.00 0.00 173.10 173.59 1iqx s LEU 156 N -0.24 1.96 0.09 0.66 1.43 -1.09 -2.35 118.68 119.13 1iqx s LEU 156 Ca 0.01 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.61 1iqx s LEU 156 Cb -0.11 -1.11 -0.06 0.00 0.03 0.00 0.00 46.19 44.95 1iqx s LEU 156 CO 0.01 0.17 0.40 0.00 0.23 0.00 0.00 176.35 177.16 1iqx s ALA 157 N 0.05 3.73 -0.04 4.21 0.00 -1.26 -0.65 121.76 127.80 1iqx s ALA 157 Ca -0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1iqx s ALA 157 Cb -0.13 -2.25 0.03 0.00 0.00 0.00 0.00 23.12 20.77 1iqx s ALA 157 CO 0.03 0.58 0.09 -0.06 0.00 0.00 0.00 175.76 176.40 1iqx s PHE 158 N -1.44 -0.07 0.04 0.00 0.08 -0.00 -1.17 117.98 115.43 1iqx s PHE 158 Ca 0.34 0.31 -0.29 0.00 0.12 0.00 0.00 56.93 57.41 1iqx s PHE 158 Cb -0.14 -0.16 -0.04 0.00 -0.57 0.00 0.00 43.02 42.11 1iqx s PHE 158 CO 0.19 -0.13 0.92 0.08 -0.10 0.00 0.00 175.22 176.18 1iqx s VAL 159 N 1.14 4.73 -0.30 -0.44 1.01 -0.20 -0.16 120.40 126.17 1iqx s VAL 159 Ca -0.09 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1iqx s VAL 159 Cb -0.12 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.05 1iqx s VAL 159 CO -0.04 0.26 -0.02 -1.58 0.00 0.00 0.00 175.10 173.71 1iqx s GLN 160 N 0.46 2.26 0.44 2.72 0.74 0.41 -4.25 119.66 122.44 1iqx s GLN 160 Ca 0.47 -1.38 0.15 0.00 0.05 0.00 0.00 55.36 54.65 1iqx s GLN 160 Cb -0.22 -3.12 0.98 0.00 1.10 0.00 0.00 33.01 31.76 1iqx s GLN 160 CO 0.27 -0.66 1.97 -0.44 -0.55 0.00 0.00 175.29 175.88 1iqx h ASP 161 N 7.90 0.00 -5.02 6.67 3.32 -1.89 -3.44 116.42 123.95 1iqx h ASP 161 Ca -0.18 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1iqx h ASP 161 Cb 1.05 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.49 1iqx h ASP 161 CO 0.52 0.21 0.14 0.72 -1.72 0.00 0.00 179.24 179.11 1iqx s PHE 162 N -4.54 -0.41 0.44 4.55 -0.71 -1.26 -5.03 117.98 111.01 1iqx s PHE 162 Ca -0.04 0.14 0.28 0.00 -1.04 0.00 0.00 56.93 56.27 1iqx s PHE 162 Cb 0.15 0.49 1.35 0.00 -1.21 0.00 0.00 43.02 43.81 1iqx s PHE 162 CO 0.70 -0.86 1.68 -1.00 -1.34 0.00 0.00 175.22 174.40 1iqx h PRO 163 N 2.09 0.16 -0.66 1.99 0.13 -2.02 -0.52 132.00 133.17 1iqx h PRO 163 Ca -0.32 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1iqx h PRO 163 Cb 1.29 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1iqx h PRO 163 CO 0.39 0.11 0.00 0.39 -0.23 0.00 0.00 178.00 178.65 1iqx n GLU 164 N -4.61 3.77 -2.91 0.86 4.71 -1.26 -4.97 120.64 116.23 1iqx n GLU 164 Ca 0.33 -2.91 -0.36 0.00 -0.01 0.00 0.00 57.16 54.21 1iqx n GLU 164 Cb 1.28 -1.90 -0.06 0.00 -1.01 0.00 0.00 31.44 29.74 1iqx n GLU 164 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1iqx s ASP 165 N -0.91 7.15 -0.58 1.62 2.15 -0.21 -5.00 116.67 120.90 1iqx s ASP 165 Ca 0.52 1.65 -0.22 0.00 0.43 0.00 0.00 52.55 54.92 1iqx s ASP 165 Cb 0.33 -2.51 0.06 0.00 -0.30 0.00 0.00 42.92 40.50 1iqx s ASP 165 CO 0.25 -0.09 0.87 -0.55 -0.17 0.00 0.00 175.17 175.48 1iqx s SER 166 N -1.76 6.26 0.53 -0.34 0.15 -1.26 -4.87 113.70 112.41 1iqx s SER 166 Ca 0.50 -0.70 0.23 0.00 0.70 0.00 0.00 55.95 56.68 1iqx s SER 166 Cb -0.16 -2.40 1.45 0.00 -1.71 0.00 0.00 66.02 63.20 1iqx s SER 166 CO 0.21 -1.22 2.14 0.00 1.20 0.00 0.00 173.24 175.57 1iqx h ALA 167 N 9.32 1.65 -0.09 5.45 0.00 -1.93 -2.81 119.26 130.85 1iqx h ALA 167 Ca -0.27 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1iqx h ALA 167 Cb 1.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1iqx h ALA 167 CO 1.09 0.07 0.13 -1.49 0.00 0.00 0.00 179.25 179.06 1iqx h TRP 168 N 0.00 0.00 0.00 0.00 4.06 -1.91 0.37 115.95 118.47 1iqx h TRP 168 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1iqx h TRP 168 Cb 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.28 1iqx h TRP 168 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1iqx n ALA 169 N -2.24 1.83 -3.05 1.49 0.00 -1.06 -4.05 120.51 113.45 1iqx n ALA 169 Ca -0.01 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 1iqx n ALA 169 Cb 0.23 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 1iqx n ALA 169 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1iqx n HIS 170 N -2.13 2.80 -2.01 0.00 8.25 0.12 -4.54 115.22 117.71 1iqx n HIS 170 Ca 0.03 -3.95 -0.36 0.00 -0.26 0.00 0.00 57.72 53.18 1iqx n HIS 170 Cb 0.27 -0.47 0.03 0.00 1.12 0.00 0.00 29.99 30.94 1iqx n HIS 170 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1iqx s PRO 171 N -3.06 3.09 -0.60 -0.41 0.04 -1.26 -1.04 135.00 131.77 1iqx s PRO 171 Ca 0.46 1.88 -0.05 0.00 0.04 0.00 0.00 61.00 63.33 1iqx s PRO 171 Cb 0.29 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.95 1iqx s PRO 171 CO -0.11 -1.12 0.44 0.08 0.04 0.00 0.00 177.00 176.32 1iqx s VAL 172 N -1.54 3.95 0.71 -0.36 1.01 -0.32 -4.35 120.40 119.51 1iqx s VAL 172 Ca 0.75 -2.62 -0.11 0.00 0.00 0.00 0.00 61.98 59.99 1iqx s VAL 172 Cb -0.32 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1iqx s VAL 172 CO 0.35 -0.86 1.08 -0.62 0.00 0.00 0.00 175.10 175.06 1iqx s ASP 173 N 1.29 5.40 0.00 3.32 -1.08 -1.26 -3.98 116.67 120.36 1iqx s ASP 173 Ca 0.14 1.26 0.00 0.00 -0.52 0.00 0.00 52.55 53.43 1iqx s ASP 173 Cb -0.20 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1iqx s ASP 173 CO -0.04 -1.39 0.00 0.61 0.52 0.00 0.00 175.17 174.88 1iqx n GLY 174 N -2.70 0.78 2.93 2.66 0.00 -1.26 -4.07 105.19 103.53 1iqx n GLY 174 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 1iqx n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iqx s LEU 175 N 0.00 1.78 -0.18 0.99 2.96 -1.26 0.62 118.68 123.60 1iqx s LEU 175 Ca 0.00 -0.10 -0.19 0.00 -0.22 0.00 0.00 54.13 53.62 1iqx s LEU 175 Cb 0.00 -0.31 0.05 0.00 0.50 0.00 0.00 46.19 46.43 1iqx s LEU 175 CO 0.00 0.02 0.52 0.54 -1.32 0.00 0.00 176.35 176.12 1iqx s VAL 176 N 0.21 0.00 0.06 1.68 0.11 -0.51 -4.60 120.40 117.36 1iqx s VAL 176 Ca -0.02 -0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1iqx s VAL 176 Cb -0.06 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1iqx s VAL 176 CO -0.00 -0.02 -0.17 0.00 -3.33 0.00 0.00 175.10 171.58 1iqx s ALA 177 N 0.09 1.46 -0.11 1.54 0.00 -0.99 -0.33 121.76 123.43 1iqx s ALA 177 Ca -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1iqx s ALA 177 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1iqx s ALA 177 CO 0.01 0.28 -0.15 0.71 0.00 0.00 0.00 175.76 176.62 1iqx s TYR 178 N -1.02 2.75 -0.05 0.00 2.02 0.15 0.21 117.35 121.41 1iqx s TYR 178 Ca 0.03 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.19 1iqx s TYR 178 Cb -0.09 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1iqx s TYR 178 CO 0.02 -0.14 -0.14 0.08 -1.57 0.00 0.00 175.55 173.81 1iqx s VAL 179 N 0.09 1.21 -0.46 0.71 1.01 0.02 -0.81 120.40 122.17 1iqx s VAL 179 Ca -0.06 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 1iqx s VAL 179 Cb -0.15 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1iqx s VAL 179 CO 0.05 0.36 0.77 -0.62 0.00 0.00 0.00 175.10 175.66 1iqx s ASP 180 N 0.35 6.38 0.00 3.32 -1.08 0.11 -1.37 116.67 124.38 1iqx s ASP 180 Ca -0.09 -0.22 0.22 0.00 -0.52 0.00 0.00 52.55 51.93 1iqx s ASP 180 Cb -0.13 -2.37 0.92 0.00 -1.46 0.00 0.00 42.92 39.88 1iqx s ASP 180 CO 0.03 -0.93 1.69 1.33 0.52 0.00 0.00 175.17 177.81 1iqx n VAL 181 N 6.07 0.51 -0.10 1.11 0.24 -0.38 -1.21 118.33 124.56 1iqx n VAL 181 Ca 0.01 0.13 -0.19 0.00 -2.04 0.00 0.00 64.34 62.25 1iqx n VAL 181 Cb 0.48 -0.76 -0.08 0.00 -1.47 0.00 0.00 33.84 32.01 1iqx n VAL 181 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1iqx n VAL 182 N -1.50 1.50 0.86 3.34 0.31 -1.26 -4.30 118.33 117.29 1iqx n VAL 182 Ca 0.05 -0.04 0.13 0.00 -0.01 0.00 0.00 64.34 64.47 1iqx n VAL 182 Cb 0.25 -2.11 0.54 0.00 -0.91 0.00 0.00 33.84 31.61 1iqx n VAL 182 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1iqx n SER 183 N -4.43 0.12 -3.35 4.52 3.41 -1.25 -4.94 113.62 107.70 1iqx n SER 183 Ca -0.30 0.51 -0.16 0.00 -0.26 0.00 0.00 58.87 58.66 1iqx n SER 183 Cb 0.62 -0.55 0.08 0.00 -0.26 0.00 0.00 64.21 64.11 1iqx n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1iqx n LYS 184 N -1.62 -4.60 -4.53 4.33 5.02 -0.35 -5.04 118.16 111.37 1iqx n LYS 184 Ca 0.06 0.86 -0.24 0.00 -2.02 0.00 0.00 58.31 56.97 1iqx n LYS 184 Cb 0.32 -5.85 -0.14 0.00 -0.02 0.00 0.00 35.03 29.35 1iqx n LYS 184 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1iqx s GLU 185 N -4.92 1.25 -0.44 1.97 2.02 -0.90 -4.97 118.70 112.69 1iqx s GLU 185 Ca 0.21 -0.91 -0.20 0.00 0.02 0.00 0.00 54.97 54.09 1iqx s GLU 185 Cb -0.03 -1.35 0.03 0.00 0.10 0.00 0.00 34.13 32.88 1iqx s GLU 185 CO 0.74 0.34 0.63 0.08 0.02 0.00 0.00 175.26 177.07 1iqx s VAL 186 N -0.84 4.84 0.14 2.63 1.01 -1.26 0.10 120.40 127.02 1iqx s VAL 186 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1iqx s VAL 186 Cb -0.09 -4.21 -0.17 0.00 0.00 0.00 0.00 36.38 31.91 1iqx s VAL 186 CO 0.02 -0.61 1.33 0.71 0.00 0.00 0.00 175.10 176.55 1iqx h THR 187 N 5.87 1.48 -2.43 3.92 1.35 -1.33 -3.48 112.91 118.29 1iqx h THR 187 Ca -0.26 -2.64 -0.08 0.00 -0.55 0.00 0.00 66.41 62.88 1iqx h THR 187 Cb 1.10 2.51 -0.20 0.00 -1.73 0.00 0.00 68.15 69.82 1iqx h THR 187 CO 0.89 0.77 -0.02 -0.13 -0.25 0.00 0.00 175.52 176.79 1iqx s ARG 188 N -3.15 0.83 -0.13 4.72 0.52 -1.11 -4.98 118.95 115.64 1iqx s ARG 188 Ca -0.04 0.23 -0.02 0.00 -0.52 0.00 0.00 55.73 55.38 1iqx s ARG 188 Cb 0.09 0.39 0.04 0.00 0.52 0.00 0.00 34.95 36.00 1iqx s ARG 188 CO 0.84 -0.22 0.03 0.08 0.02 0.00 0.00 175.30 176.05 1iqx s VAL 189 N -0.88 0.36 -0.17 3.52 1.01 -1.26 -0.67 120.40 122.31 1iqx s VAL 189 Ca -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1iqx s VAL 189 Cb -0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1iqx s VAL 189 CO 0.06 -0.00 -0.07 -0.63 0.00 0.00 0.00 175.10 174.46 1iqx s ILE 190 N 1.95 3.46 -0.22 2.22 1.01 0.55 -5.01 121.20 125.17 1iqx s ILE 190 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1iqx s ILE 190 Cb -0.15 -2.52 0.06 0.00 0.01 0.00 0.00 42.46 39.86 1iqx s ILE 190 CO -0.07 0.48 -0.04 -0.62 0.00 0.00 0.00 174.94 174.69 1iqx s ASP 191 N 0.72 3.61 0.00 3.58 -1.08 -1.25 -1.42 116.67 120.83 1iqx s ASP 191 Ca -0.03 -1.07 0.25 0.00 -0.52 0.00 0.00 52.55 51.18 1iqx s ASP 191 Cb -0.15 -1.06 0.55 0.00 -1.46 0.00 0.00 42.92 40.80 1iqx s ASP 191 CO 0.02 -0.24 1.44 0.35 0.52 0.00 0.00 175.17 177.25 1iqx n THR 192 N 4.75 0.00 0.00 1.71 -2.24 0.20 -5.00 114.28 113.70 1iqx n THR 192 Ca -0.12 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1iqx n THR 192 Cb 0.45 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1iqx n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqx n GLY 193 N 1.44 4.44 3.78 3.38 0.00 -1.25 -5.04 105.19 111.94 1iqx n GLY 193 Ca 0.08 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 1iqx n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqx s VAL 194 N -2.00 3.81 0.02 1.61 0.11 -1.26 -4.16 120.40 118.53 1iqx s VAL 194 Ca 0.00 1.39 0.03 0.00 -2.93 0.00 0.00 61.98 60.46 1iqx s VAL 194 Cb 0.00 -3.71 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 1iqx s VAL 194 CO 0.00 0.01 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.33 1iqx s PHE 195 N -1.68 0.80 0.30 1.54 0.40 -1.26 -4.98 117.98 113.10 1iqx s PHE 195 Ca 0.57 -0.28 -0.30 0.00 -0.60 0.00 0.00 56.93 56.32 1iqx s PHE 195 Cb -0.21 -0.49 -0.12 0.00 0.51 0.00 0.00 43.02 42.72 1iqx s PHE 195 CO 0.26 -0.02 1.57 -2.30 0.70 0.00 0.00 175.22 175.43 1iqx n PRO 196 N 2.25 2.66 -2.91 0.24 -0.02 -1.26 -4.70 135.00 131.27 1iqx n PRO 196 Ca -0.17 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 1iqx n PRO 196 Cb 0.56 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 1iqx n PRO 196 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iqx s VAL 197 N -0.19 4.74 0.12 -1.45 1.01 -1.26 -4.83 120.40 118.54 1iqx s VAL 197 Ca 0.62 1.18 -0.34 0.00 0.00 0.00 0.00 61.98 63.44 1iqx s VAL 197 Cb -0.50 -4.20 -0.17 0.00 0.00 0.00 0.00 36.38 31.51 1iqx s VAL 197 CO 0.51 -0.33 1.08 -2.65 0.00 0.00 0.00 175.10 173.71 1iqx n PRO 198 N 6.35 0.74 0.01 2.72 -0.02 -1.26 -4.94 135.00 138.59 1iqx n PRO 198 Ca 0.05 0.26 -0.17 0.00 -2.02 0.00 0.00 63.50 61.62 1iqx n PRO 198 Cb 0.48 -1.72 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 1iqx n PRO 198 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iqx h ALA 199 N 3.12 0.51 -2.94 3.55 0.00 -1.82 -3.40 119.26 118.28 1iqx h ALA 199 Ca -0.44 -1.38 -0.54 0.00 0.00 0.00 0.00 54.91 52.56 1iqx h ALA 199 Cb 1.38 0.59 0.10 0.00 0.00 0.00 0.00 17.79 19.86 1iqx h ALA 199 CO 0.68 1.37 0.69 -1.21 0.00 0.00 0.00 179.25 180.78 1iqx s GLU 200 N -2.58 3.86 0.59 0.00 2.02 -1.26 -5.00 118.70 116.33 1iqx s GLU 200 Ca -0.15 2.36 -0.08 0.00 0.02 0.00 0.00 54.97 57.12 1iqx s GLU 200 Cb 0.07 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 1iqx s GLU 200 CO 0.80 -0.66 0.94 -3.38 0.02 0.00 0.00 175.26 172.98 1iqx s HIS 201 N -1.20 3.46 -0.34 1.61 -3.43 -1.26 -4.75 115.29 109.38 1iqx s HIS 201 Ca 0.58 0.95 0.08 0.00 -0.80 0.00 0.00 55.06 55.87 1iqx s HIS 201 Cb -0.42 -2.67 0.45 0.00 -1.43 0.00 0.00 32.58 28.51 1iqx s HIS 201 CO 0.55 -0.70 1.14 0.41 -2.00 0.00 0.00 174.74 174.15 1iqx n GLY 202 N -2.62 5.56 3.48 -1.38 0.00 -1.26 -4.99 105.19 103.99 1iqx n GLY 202 Ca 0.04 -2.47 -0.43 0.00 0.00 0.00 0.00 46.02 43.16 1iqx n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iqx s ASN 203 N -3.57 6.62 0.00 1.61 0.01 -1.26 -4.78 114.94 113.56 1iqx s ASN 203 Ca 0.46 -1.93 0.06 0.00 -0.71 0.00 0.00 52.86 50.74 1iqx s ASN 203 Cb 0.40 -2.45 0.33 0.00 0.41 0.00 0.00 41.25 39.95 1iqx s ASN 203 CO -0.05 -1.17 0.99 0.00 -1.51 0.00 0.00 177.10 175.36 1iqx n TYR 204 N 7.16 0.00 0.39 2.20 0.18 -1.26 -0.94 117.16 124.89 1iqx n TYR 204 Ca 0.27 0.00 0.06 0.00 1.88 0.00 0.00 57.90 60.12 1iqx n TYR 204 Cb 0.49 -0.21 0.08 0.00 -0.38 0.00 0.00 39.34 39.33 1iqx n TYR 204 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1iqx n THR 205 N -1.21 0.20 -2.80 -3.48 -2.24 -1.26 -4.76 114.28 98.73 1iqx n THR 205 Ca 0.03 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1iqx n THR 205 Cb 0.04 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1iqx n THR 205 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iqx s ASP 206 N -1.06 6.78 0.62 3.42 -1.08 -0.12 -4.90 116.67 120.34 1iqx s ASP 206 Ca 0.17 0.82 0.27 0.00 -0.52 0.00 0.00 52.55 53.30 1iqx s ASP 206 Cb 0.11 -2.47 1.49 0.00 -1.46 0.00 0.00 42.92 40.59 1iqx s ASP 206 CO 0.17 -0.76 1.83 1.55 0.52 0.00 0.00 175.17 178.48 1iqx h PRO 207 N 8.14 0.00 -0.03 4.34 0.13 -1.88 0.52 132.00 143.22 1iqx h PRO 207 Ca -0.22 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.76 1iqx h PRO 207 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1iqx h PRO 207 CO 0.96 0.00 -0.65 1.49 -0.23 0.00 0.00 178.00 179.57 1iqx h GLU 208 N 0.00 0.13 0.08 0.86 4.81 -1.90 -0.68 114.58 117.87 1iqx h GLU 208 Ca 0.00 -0.10 -0.35 0.00 -0.13 0.00 0.00 59.36 58.79 1iqx h GLU 208 Cb 0.68 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1iqx h GLU 208 CO 0.00 0.73 -1.94 -0.11 -0.73 0.00 0.00 179.01 176.96 1iqx n LEU 209 N -3.81 2.49 -0.09 1.64 7.94 0.17 -4.44 117.00 120.92 1iqx n LEU 209 Ca -0.02 0.21 -0.14 0.00 -1.11 0.00 0.00 56.01 54.96 1iqx n LEU 209 Cb 0.65 -1.05 -0.02 0.00 0.53 0.00 0.00 43.42 43.53 1iqx n LEU 209 CO 0.44 0.74 0.48 0.71 -1.11 0.00 0.00 177.39 178.65 1iqx h THR 210 N -0.21 1.28 0.00 1.96 1.35 -1.27 -3.50 112.91 112.52 1iqx h THR 210 Ca -0.44 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 1iqx h THR 210 Cb 1.85 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1iqx h THR 210 CO -0.02 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1iqx n GLY 211 N 0.26 -2.58 3.77 5.82 0.00 -0.26 -4.84 105.19 107.36 1iqx n GLY 211 Ca -0.03 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1iqx n GLY 211 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1iqx s PRO 212 N -0.68 4.19 0.42 1.61 0.02 -1.26 -4.85 135.00 134.45 1iqx s PRO 212 Ca 0.00 2.45 -0.23 0.00 0.02 0.00 0.00 61.00 63.24 1iqx s PRO 212 Cb 0.00 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.41 1iqx s PRO 212 CO 0.00 -0.44 1.03 -0.51 -0.33 0.00 0.00 177.00 176.75 1iqx s LEU 213 N -1.65 4.06 0.44 -5.54 1.43 -1.26 -4.98 118.68 111.17 1iqx s LEU 213 Ca 0.54 1.96 -0.25 0.00 -1.03 0.00 0.00 54.13 55.35 1iqx s LEU 213 Cb -0.44 -4.30 -0.09 0.00 0.03 0.00 0.00 46.19 41.39 1iqx s LEU 213 CO 0.57 -0.52 1.39 0.54 0.23 0.00 0.00 176.35 178.55 1iqx n ARG 214 N -0.31 2.17 -0.02 1.70 1.74 -1.26 -4.91 116.66 115.77 1iqx n ARG 214 Ca 0.06 0.77 0.02 0.00 -0.77 0.00 0.00 57.85 57.93 1iqx n ARG 214 Cb 0.51 -2.56 0.03 0.00 -1.02 0.00 0.00 32.46 29.42 1iqx n ARG 214 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1iqx n THR 215 N -0.19 0.32 0.35 0.55 -2.24 -1.26 -4.69 114.28 107.12 1iqx n THR 215 Ca 0.05 -0.66 0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1iqx n THR 215 Cb 0.41 0.90 0.32 0.00 -2.10 0.00 0.00 70.33 69.86 1iqx n THR 215 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1iqx h THR 216 N 0.83 0.00 -3.52 4.28 1.35 -2.04 -3.44 112.91 110.37 1iqx h THR 216 Ca 0.00 -0.75 -0.56 0.00 -0.55 0.00 0.00 66.41 64.55 1iqx h THR 216 Cb 0.31 1.73 -0.07 0.00 -1.73 0.00 0.00 68.15 68.39 1iqx h THR 216 CO 0.00 0.00 0.97 -1.10 -0.25 0.00 0.00 175.52 175.14 1iqx s GLN 217 N -3.25 3.64 0.39 4.72 -0.21 -1.26 -5.02 119.66 118.67 1iqx s GLN 217 Ca 0.07 0.55 -0.12 0.00 0.02 0.00 0.00 55.36 55.87 1iqx s GLN 217 Cb 0.08 -3.96 -0.07 0.00 1.00 0.00 0.00 33.01 30.06 1iqx s GLN 217 CO 0.62 -1.50 0.78 0.15 -2.12 0.00 0.00 175.29 173.22 1iqx s LYS 218 N 4.68 3.86 0.50 2.91 3.01 -1.26 -5.04 119.74 128.39 1iqx s LYS 218 Ca 0.49 0.57 -0.23 0.00 -1.01 0.00 0.00 55.97 55.80 1iqx s LYS 218 Cb -0.08 -2.38 -0.06 0.00 -1.01 0.00 0.00 37.83 34.30 1iqx s LYS 218 CO 0.31 -0.00 1.27 -1.25 0.51 0.00 0.00 175.35 176.18 1iqx s PRO 219 N -3.62 3.47 -0.28 -1.68 0.04 -1.26 -5.03 135.00 126.65 1iqx s PRO 219 Ca 0.53 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.62 1iqx s PRO 219 Cb -0.10 -2.36 0.08 0.00 0.04 0.00 0.00 34.50 32.15 1iqx s PRO 219 CO 0.27 -0.86 -0.03 0.42 0.04 0.00 0.00 177.00 176.84 1iqx s ILE 220 N -1.40 1.92 -0.26 0.56 1.01 -1.26 -5.10 121.20 116.66 1iqx s ILE 220 Ca 0.67 -1.72 -0.14 0.00 0.00 0.00 0.00 60.65 59.46 1iqx s ILE 220 Cb -0.35 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1iqx s ILE 220 CO 0.42 -0.27 0.34 -0.55 0.00 0.00 0.00 174.94 174.88 1iqx s SER 221 N 1.16 6.24 -0.28 3.58 0.15 -1.26 -5.06 113.70 118.24 1iqx s SER 221 Ca -0.01 0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.89 1iqx s SER 221 Cb -0.19 -2.20 0.04 0.00 -1.71 0.00 0.00 66.02 61.96 1iqx s SER 221 CO -0.08 -0.14 -0.03 -0.63 1.20 0.00 0.00 173.24 173.56 1iqx s ILE 222 N 1.88 2.93 0.22 6.45 1.01 -1.26 -5.10 121.20 127.33 1iqx s ILE 222 Ca 0.14 -1.23 0.06 0.00 0.00 0.00 0.00 60.65 59.61 1iqx s ILE 222 Cb -0.16 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1iqx s ILE 222 CO 0.09 0.03 -0.08 0.42 0.00 0.00 0.00 174.94 175.40 1iqx s THR 223 N 1.28 1.40 -0.40 2.92 -4.23 -1.26 -4.18 115.64 111.17 1iqx s THR 223 Ca -0.03 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 1iqx s THR 223 Cb -0.18 -2.18 0.14 0.00 1.34 0.00 0.00 72.50 71.61 1iqx s THR 223 CO -0.03 -0.49 0.22 -1.10 -0.54 0.00 0.00 174.62 172.69 1iqx s GLN 224 N -3.75 0.98 0.45 3.99 -0.21 -1.26 -4.96 119.66 114.90 1iqx s GLN 224 Ca 0.24 -1.70 0.24 0.00 0.02 0.00 0.00 55.36 54.16 1iqx s GLN 224 Cb 0.03 -1.93 1.24 0.00 1.00 0.00 0.00 33.01 33.35 1iqx s GLN 224 CO 0.07 -1.17 1.80 -1.35 -2.12 0.00 0.00 175.29 172.52 1iqx h PRO 225 N 6.91 0.26 -0.41 2.91 0.11 -2.04 0.05 132.00 139.79 1iqx h PRO 225 Ca 0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1iqx h PRO 225 Cb 0.95 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1iqx h PRO 225 CO 0.40 0.17 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 1iqx n GLU 226 N -4.48 3.03 0.00 1.05 1.02 -1.26 -5.09 120.64 114.90 1iqx n GLU 226 Ca 0.24 -2.43 0.00 0.00 -0.02 0.00 0.00 57.16 54.95 1iqx n GLU 226 Cb 0.95 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1iqx n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iqx n GLY 227 N 0.47 -0.81 3.83 0.62 0.00 0.00 -4.97 105.19 104.34 1iqx n GLY 227 Ca 0.17 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 1iqx n GLY 227 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iqx s PRO 228 N -1.17 2.97 0.03 1.61 0.04 -1.26 -4.87 135.00 132.36 1iqx s PRO 228 Ca 0.00 0.87 0.27 0.00 0.04 0.00 0.00 61.00 62.18 1iqx s PRO 228 Cb 0.00 -2.00 0.81 0.00 0.04 0.00 0.00 34.50 33.35 1iqx s PRO 228 CO 0.00 -1.05 1.64 0.43 0.04 0.00 0.00 177.00 178.06 1iqx n SER 229 N -3.09 0.35 -4.93 6.66 7.64 -1.26 -4.87 113.62 114.12 1iqx n SER 229 Ca 0.07 0.18 -0.27 0.00 1.01 0.00 0.00 58.87 59.86 1iqx n SER 229 Cb 0.54 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 1iqx n SER 229 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1iqx s PHE 230 N -3.03 3.48 -0.05 1.43 -0.12 -1.26 -4.64 117.98 113.79 1iqx s PHE 230 Ca 0.12 0.31 0.05 0.00 -0.05 0.00 0.00 56.93 57.35 1iqx s PHE 230 Cb 0.17 -1.83 -0.02 0.00 -0.63 0.00 0.00 43.02 40.71 1iqx s PHE 230 CO 0.62 0.37 -0.19 0.95 -0.05 0.00 0.00 175.22 176.92 1iqx s THR 231 N -1.90 2.60 -0.23 -4.49 -4.23 -0.05 -4.96 115.64 102.38 1iqx s THR 231 Ca 0.38 -0.89 -0.05 0.00 -1.18 0.00 0.00 61.69 59.95 1iqx s THR 231 Cb -0.11 -1.98 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 1iqx s THR 231 CO 0.29 0.58 0.01 -0.69 -0.54 0.00 0.00 174.62 174.27 1iqx s VAL 232 N -0.49 3.78 0.02 2.29 1.01 -1.26 -1.72 120.40 124.03 1iqx s VAL 232 Ca 0.06 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1iqx s VAL 232 Cb -0.12 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1iqx s VAL 232 CO 0.01 0.38 -0.15 -0.89 0.00 0.00 0.00 175.10 174.45 1iqx s THR 233 N 1.54 1.16 -1.49 3.92 2.01 0.15 -4.76 115.64 118.17 1iqx s THR 233 Ca 0.06 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 1iqx s THR 233 Cb -0.15 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1iqx s THR 233 CO -0.00 0.16 0.46 0.61 -0.69 0.00 0.00 174.62 175.15 1iqx n GLY 234 N 2.26 -0.43 4.42 4.40 0.00 -1.26 -0.10 105.19 114.49 1iqx n GLY 234 Ca -0.16 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1iqx n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqx n GLY 235 N -1.39 1.15 0.24 -0.02 0.00 -1.26 -4.31 105.19 99.61 1iqx n GLY 235 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1iqx n GLY 235 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iqx n ASN 236 N 2.30 0.00 -4.64 1.61 2.04 -1.19 -5.01 115.26 110.37 1iqx n ASN 236 Ca 0.00 -1.49 -0.39 0.00 -0.44 0.00 0.00 54.58 52.27 1iqx n ASN 236 Cb 0.00 -0.10 -0.08 0.00 -2.53 0.00 0.00 39.78 37.07 1iqx n ASN 236 CO 0.00 0.00 0.00 -2.28 -0.44 0.00 0.00 177.26 174.54 1iqx s HIS 237 N 0.00 3.31 -0.05 -2.53 2.46 0.86 -1.04 115.29 118.31 1iqx s HIS 237 Ca 0.00 0.54 0.02 0.00 0.47 0.00 0.00 55.06 56.09 1iqx s HIS 237 Cb 0.00 -2.57 -0.03 0.00 -0.13 0.00 0.00 32.58 29.85 1iqx s HIS 237 CO 0.00 -0.13 -0.08 0.42 -2.47 0.00 0.00 174.74 172.48 1iqx s ILE 238 N 1.73 3.57 -0.10 0.89 1.09 0.18 0.31 121.20 128.88 1iqx s ILE 238 Ca 0.18 -0.58 -0.01 0.00 -1.10 0.00 0.00 60.65 59.14 1iqx s ILE 238 Cb -0.15 -2.47 0.03 0.00 -1.06 0.00 0.00 42.46 38.81 1iqx s ILE 238 CO 0.09 0.56 -0.05 -1.61 -0.10 0.00 0.00 174.94 173.83 1iqx s GLU 239 N -0.90 1.23 -0.19 2.79 2.02 -0.70 -1.84 118.70 121.11 1iqx s GLU 239 Ca 0.13 -0.14 -0.07 0.00 0.02 0.00 0.00 54.97 54.91 1iqx s GLU 239 Cb -0.11 -1.38 0.08 0.00 0.10 0.00 0.00 34.13 32.82 1iqx s GLU 239 CO 0.02 -0.27 0.41 -0.46 0.02 0.00 0.00 175.26 174.98 1iqx s TRP 240 N 1.77 -0.73 -1.45 1.61 -0.00 -0.80 -0.87 118.94 118.47 1iqx s TRP 240 Ca 0.04 1.44 -0.11 0.00 -0.00 0.00 0.00 56.10 57.48 1iqx s TRP 240 Cb -0.13 0.28 0.01 0.00 -0.00 0.00 0.00 33.47 33.64 1iqx s TRP 240 CO -0.07 -0.44 0.22 0.39 -0.00 0.00 0.00 176.95 177.05 1iqx n GLU 241 N 5.12 -0.81 0.00 5.86 -0.58 -1.26 0.02 120.64 128.99 1iqx n GLU 241 Ca -0.12 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1iqx n GLU 241 Cb 0.51 -3.29 0.00 0.00 -0.57 0.00 0.00 31.44 28.09 1iqx n GLU 241 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1iqx n LYS 242 N -4.73 0.00 -2.63 3.49 5.02 -1.26 -4.94 118.16 113.11 1iqx n LYS 242 Ca -0.26 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.71 1iqx n LYS 242 Cb 0.66 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 34.47 1iqx n LYS 242 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1iqx s TRP 243 N -2.39 3.42 -0.05 2.13 0.52 0.10 0.25 118.94 122.92 1iqx s TRP 243 Ca 0.00 1.40 -0.03 0.00 0.02 0.00 0.00 56.10 57.49 1iqx s TRP 243 Cb 0.00 -2.72 0.02 0.00 -1.15 0.00 0.00 33.47 29.62 1iqx s TRP 243 CO 0.00 -0.23 0.11 0.45 0.02 0.00 0.00 176.95 177.30 1iqx s SER 244 N -2.83 -0.08 0.03 2.95 0.15 0.53 -1.90 113.70 112.55 1iqx s SER 244 Ca 0.58 0.22 -0.29 0.00 0.70 0.00 0.00 55.95 57.16 1iqx s SER 244 Cb -0.10 0.16 0.10 0.00 -1.71 0.00 0.00 66.02 64.47 1iqx s SER 244 CO 0.26 -0.09 1.10 -1.48 1.20 0.00 0.00 173.24 174.23 1iqx s LEU 245 N 0.63 -0.16 -0.10 3.45 2.34 -0.77 -0.62 118.68 123.45 1iqx s LEU 245 Ca -0.05 -0.20 0.04 0.00 0.06 0.00 0.00 54.13 53.98 1iqx s LEU 245 Cb -0.07 1.77 -0.00 0.00 -0.56 0.00 0.00 46.19 47.33 1iqx s LEU 245 CO -0.03 -0.57 -0.23 -1.81 -1.06 0.00 0.00 176.35 172.65 1iqx s ASP 246 N -2.80 3.17 -0.51 1.48 1.01 0.07 -0.65 116.67 118.45 1iqx s ASP 246 Ca 0.12 -0.54 -0.18 0.00 0.71 0.00 0.00 52.55 52.66 1iqx s ASP 246 Cb 0.01 -1.42 0.07 0.00 1.01 0.00 0.00 42.92 42.59 1iqx s ASP 246 CO -0.02 0.16 0.57 -0.69 0.21 0.00 0.00 175.17 175.39 1iqx s VAL 247 N 0.34 4.98 0.45 -1.27 1.01 -0.20 -0.73 120.40 124.97 1iqx s VAL 247 Ca -0.18 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1iqx s VAL 247 Cb -0.18 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1iqx s VAL 247 CO 0.09 -0.78 0.61 -0.83 0.00 0.00 0.00 175.10 174.19 1iqx s GLY 248 N 2.80 1.89 -0.12 4.51 0.00 0.28 -4.77 107.32 111.91 1iqx s GLY 248 Ca 0.11 -1.57 -0.05 0.00 0.00 0.00 0.00 44.72 43.21 1iqx s GLY 248 CO 0.10 -1.37 0.25 -0.12 0.00 0.00 0.00 173.10 171.96 1iqx s PHE 249 N -2.44 -0.37 -0.00 1.90 5.36 -1.26 -1.19 117.98 119.97 1iqx s PHE 249 Ca 0.55 0.87 0.08 0.00 -0.96 0.00 0.00 56.93 57.47 1iqx s PHE 249 Cb -0.10 0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.56 1iqx s PHE 249 CO 0.34 -0.29 -0.26 0.34 -1.46 0.00 0.00 175.22 173.89 1iqx s ASP 250 N 1.80 3.07 0.45 6.13 2.15 -0.42 -4.87 116.67 124.97 1iqx s ASP 250 Ca -0.04 -0.50 0.11 0.00 0.43 0.00 0.00 52.55 52.54 1iqx s ASP 250 Cb -0.11 -0.33 1.00 0.00 -0.30 0.00 0.00 42.92 43.18 1iqx s ASP 250 CO -0.09 0.30 2.07 1.62 -0.17 0.00 0.00 175.17 178.91 1iqx h VAL 251 N 4.43 1.08 0.00 1.11 3.04 -1.86 0.46 116.25 124.50 1iqx h VAL 251 Ca -0.44 -0.22 -0.06 0.00 -1.01 0.00 0.00 66.70 64.97 1iqx h VAL 251 Cb 1.13 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.19 1iqx h VAL 251 CO 0.46 0.09 -0.36 -0.09 -1.01 0.00 0.00 177.57 176.66 1iqx h ARG 252 N 0.30 0.00 0.00 4.17 2.43 -1.88 0.12 114.38 119.52 1iqx h ARG 252 Ca 0.08 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1iqx h ARG 252 Cb 0.03 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1iqx h ARG 252 CO -0.01 0.78 -0.69 0.93 -1.51 0.00 0.00 179.97 179.47 1iqx h GLU 253 N -1.00 0.00 0.00 0.20 5.08 -1.82 -3.12 114.58 113.92 1iqx h GLU 253 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1iqx h GLU 253 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1iqx h GLU 253 CO -0.05 0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.72 1iqx n GLY 254 N 1.25 0.24 3.71 -3.84 0.00 0.16 -4.58 105.19 102.12 1iqx n GLY 254 Ca -0.01 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1iqx n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iqx s VAL 255 N 0.00 2.67 -0.06 1.61 1.01 -1.26 -1.31 120.40 123.06 1iqx s VAL 255 Ca 0.00 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1iqx s VAL 255 Cb 0.00 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 1iqx s VAL 255 CO 0.00 0.02 -0.19 -0.69 0.00 0.00 0.00 175.10 174.23 1iqx s VAL 256 N 1.80 1.64 -0.19 2.92 1.01 -0.33 -4.62 120.40 122.62 1iqx s VAL 256 Ca 0.73 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1iqx s VAL 256 Cb -0.43 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 1iqx s VAL 256 CO 0.32 0.46 0.11 -0.76 0.00 0.00 0.00 175.10 175.23 1iqx s LEU 257 N 0.14 4.09 0.06 3.92 1.43 -0.08 -0.56 118.68 127.68 1iqx s LEU 257 Ca -0.08 0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.30 1iqx s LEU 257 Cb -0.14 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1iqx s LEU 257 CO 0.04 0.19 -0.24 -1.00 0.23 0.00 0.00 176.35 175.57 1iqx s HIS 258 N 0.28 2.39 -1.28 0.29 3.76 0.09 -0.32 115.29 120.50 1iqx s HIS 258 Ca 0.07 -0.36 -0.10 0.00 -0.15 0.00 0.00 55.06 54.52 1iqx s HIS 258 Cb -0.11 -1.39 -0.00 0.00 1.11 0.00 0.00 32.58 32.19 1iqx s HIS 258 CO -0.01 0.20 0.60 0.09 -0.85 0.00 0.00 174.74 174.77 1iqx n ASN 259 N 1.54 -2.56 -4.66 1.40 3.02 0.13 -0.75 115.26 113.39 1iqx n ASN 259 Ca -0.17 -1.01 -0.43 0.00 -0.03 0.00 0.00 54.58 52.94 1iqx n ASN 259 Cb 0.52 -3.19 -0.02 0.00 -0.61 0.00 0.00 39.78 36.48 1iqx n ASN 259 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iqx s ILE 260 N -3.72 4.16 0.05 2.41 1.01 0.85 -3.96 121.20 122.01 1iqx s ILE 260 Ca 0.22 1.39 -0.00 0.00 0.00 0.00 0.00 60.65 62.25 1iqx s ILE 260 Cb -0.08 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1iqx s ILE 260 CO 0.88 -0.16 -0.04 0.00 0.00 0.00 0.00 174.94 175.62 1iqx s ALA 261 N 3.70 0.55 -0.10 9.38 0.00 0.20 -1.27 121.76 134.23 1iqx s ALA 261 Ca 0.58 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1iqx s ALA 261 Cb -0.23 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1iqx s ALA 261 CO 0.18 -0.33 -0.14 0.12 0.00 0.00 0.00 175.76 175.59 1iqx s PHE 262 N -3.63 1.81 -0.74 0.00 2.19 -0.11 -0.34 117.98 117.15 1iqx s PHE 262 Ca 0.06 -0.80 -0.27 0.00 0.33 0.00 0.00 56.93 56.25 1iqx s PHE 262 Cb 0.06 -1.32 0.03 0.00 -1.31 0.00 0.00 43.02 40.48 1iqx s PHE 262 CO -0.08 -0.42 1.26 0.50 1.83 0.00 0.00 175.22 178.30 1iqx s ARG 263 N 0.93 3.19 -0.67 10.12 6.06 0.14 -0.24 118.95 138.48 1iqx s ARG 263 Ca -0.08 -0.30 -0.16 0.00 -2.50 0.00 0.00 55.73 52.69 1iqx s ARG 263 Cb -0.15 -4.20 0.16 0.00 0.06 0.00 0.00 34.95 30.82 1iqx s ARG 263 CO -0.00 -2.13 0.66 0.34 -2.50 0.00 0.00 175.30 171.67 1iqx s ASP 264 N 3.75 6.41 1.37 -2.12 2.15 0.13 -4.89 116.67 123.47 1iqx s ASP 264 Ca 0.34 -2.06 0.00 0.00 0.43 0.00 0.00 52.55 51.26 1iqx s ASP 264 Cb -0.09 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1iqx s ASP 264 CO 0.14 -0.81 0.00 0.61 -0.17 0.00 0.00 175.17 174.94 1iqx n GLY 265 N 4.83 2.47 0.08 2.66 0.00 -1.26 -2.50 105.19 111.47 1iqx n GLY 265 Ca -0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1iqx n GLY 265 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iqx h ASP 266 N 0.00 0.00 -3.07 1.61 3.32 -2.00 -3.47 116.42 112.81 1iqx h ASP 266 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1iqx h ASP 266 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1iqx h ASP 266 CO 0.00 0.91 -0.21 0.00 -1.72 0.00 0.00 179.24 178.21 1iqx s ARG 267 N -2.68 3.99 -0.37 3.56 1.70 -1.04 -5.04 118.95 119.07 1iqx s ARG 267 Ca -0.03 0.37 -0.23 0.00 -0.47 0.00 0.00 55.73 55.37 1iqx s ARG 267 Cb 0.08 -3.27 0.01 0.00 -0.57 0.00 0.00 34.95 31.20 1iqx s ARG 267 CO 0.82 0.58 0.77 -1.17 -1.08 0.00 0.00 175.30 175.21 1iqx s LEU 268 N -0.69 4.16 -0.27 -1.89 2.96 -1.26 0.18 118.68 121.87 1iqx s LEU 268 Ca 0.23 0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 54.32 1iqx s LEU 268 Cb -0.16 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 1iqx s LEU 268 CO 0.12 -0.74 0.16 -0.13 -1.32 0.00 0.00 176.35 174.44 1iqx s ARG 269 N 3.07 3.90 0.52 1.98 0.52 0.67 -4.90 118.95 124.71 1iqx s ARG 269 Ca 0.30 -0.35 -0.22 0.00 -0.52 0.00 0.00 55.73 54.95 1iqx s ARG 269 Cb -0.13 -3.57 -0.06 0.00 0.52 0.00 0.00 34.95 31.71 1iqx s ARG 269 CO 0.17 -0.15 1.24 -2.14 0.02 0.00 0.00 175.30 174.45 1iqx s PRO 270 N 1.63 3.38 0.11 3.54 0.02 -1.26 -0.94 135.00 141.49 1iqx s PRO 270 Ca 0.07 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1iqx s PRO 270 Cb -0.15 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 32.11 1iqx s PRO 270 CO 0.09 -0.91 0.00 -0.89 -0.33 0.00 0.00 177.00 174.96 1iqx n ILE 271 N -0.90 0.48 -3.89 2.83 5.41 -0.39 -0.09 119.36 122.80 1iqx n ILE 271 Ca 0.10 0.16 -0.24 0.00 1.00 0.00 0.00 62.75 63.76 1iqx n ILE 271 Cb 0.47 -1.14 -0.17 0.00 -0.71 0.00 0.00 39.64 38.09 1iqx n ILE 271 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1iqx s ILE 272 N -2.00 0.65 0.07 1.39 1.01 -1.02 -1.62 121.20 119.68 1iqx s ILE 272 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 1iqx s ILE 272 Cb 0.00 -0.74 -0.11 0.00 0.01 0.00 0.00 42.46 41.62 1iqx s ILE 272 CO 0.00 0.30 1.39 -1.13 0.00 0.00 0.00 174.94 175.50 1iqx h ASN 273 N 8.10 0.52 -3.29 3.58 -0.00 -0.97 0.24 115.58 123.76 1iqx h ASN 273 Ca -0.26 -0.46 -0.14 0.00 -0.00 0.00 0.00 56.30 55.44 1iqx h ASN 273 Cb 1.13 -0.15 -0.28 0.00 -0.00 0.00 0.00 38.32 39.03 1iqx h ASN 273 CO 0.34 0.87 -0.36 -0.60 -0.00 0.00 0.00 177.43 177.68 1iqx s ARG 274 N -4.40 0.33 -0.08 6.67 3.52 -1.08 0.18 118.95 124.08 1iqx s ARG 274 Ca -0.13 0.69 0.02 0.00 -0.13 0.00 0.00 55.73 56.18 1iqx s ARG 274 Cb 0.07 -0.05 0.01 0.00 -1.56 0.00 0.00 34.95 33.42 1iqx s ARG 274 CO 0.78 -0.16 -0.14 0.00 -0.81 0.00 0.00 175.30 174.97 1iqx s ALA 275 N 1.31 1.49 0.22 6.12 0.00 0.57 -0.88 121.76 130.59 1iqx s ALA 275 Ca -0.09 -0.58 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 1iqx s ALA 275 Cb -0.09 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1iqx s ALA 275 CO -0.11 0.04 0.55 -1.54 0.00 0.00 0.00 175.76 174.71 1iqx s SER 276 N 0.79 -0.24 -0.56 0.00 1.04 -0.88 -0.90 113.70 112.95 1iqx s SER 276 Ca -0.11 -0.57 -0.16 0.00 0.48 0.00 0.00 55.95 55.58 1iqx s SER 276 Cb -0.16 0.61 0.13 0.00 0.10 0.00 0.00 66.02 66.70 1iqx s SER 276 CO 0.02 -1.12 0.55 -0.63 0.98 0.00 0.00 173.24 173.04 1iqx s ILE 277 N -3.90 5.16 -0.70 -1.02 -1.09 -1.26 -0.07 121.20 118.31 1iqx s ILE 277 Ca 0.12 -1.46 0.25 0.00 -2.23 0.00 0.00 60.65 57.33 1iqx s ILE 277 Cb -0.02 -4.37 0.27 0.00 -1.58 0.00 0.00 42.46 36.76 1iqx s ILE 277 CO 0.01 -0.92 1.77 0.00 -1.23 0.00 0.00 174.94 174.56 1iqx n ALA 278 N 5.38 2.11 -3.56 9.38 0.00 0.13 -4.68 120.51 129.27 1iqx n ALA 278 Ca -0.12 -0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1iqx n ALA 278 Cb 0.41 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 1iqx n ALA 278 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iqx s GLU 279 N -3.14 0.58 -0.22 0.00 2.56 -1.22 -4.54 118.70 112.71 1iqx s GLU 279 Ca 0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 54.97 54.91 1iqx s GLU 279 Cb 0.12 0.27 0.08 0.00 2.00 0.00 0.00 34.13 36.60 1iqx s GLU 279 CO 0.53 -0.22 0.50 0.00 -0.56 0.00 0.00 175.26 175.51 1iqx s MET 280 N -1.97 0.46 0.03 4.30 0.23 -1.26 -0.83 119.30 120.26 1iqx s MET 280 Ca 0.03 1.03 0.09 0.00 -1.03 0.00 0.00 55.69 55.80 1iqx s MET 280 Cb -0.01 0.21 -0.03 0.00 -1.53 0.00 0.00 34.83 33.47 1iqx s MET 280 CO -0.03 -0.19 -0.25 0.54 -2.03 0.00 0.00 175.02 173.06 1iqx s VAL 281 N 1.94 2.04 -0.55 5.16 0.11 0.40 -1.73 120.40 127.76 1iqx s VAL 281 Ca -0.07 -1.29 0.04 0.00 -2.93 0.00 0.00 61.98 57.72 1iqx s VAL 281 Cb -0.09 -1.74 0.14 0.00 -1.53 0.00 0.00 36.38 33.17 1iqx s VAL 281 CO -0.15 0.39 0.32 -0.69 -3.33 0.00 0.00 175.10 171.64 1iqx s VAL 282 N -0.75 2.43 0.15 2.04 1.01 0.14 -0.68 120.40 124.73 1iqx s VAL 282 Ca 0.11 -3.45 -0.25 0.00 0.00 0.00 0.00 61.98 58.38 1iqx s VAL 282 Cb -0.10 -2.66 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 1iqx s VAL 282 CO 0.01 -0.88 0.78 -2.16 0.00 0.00 0.00 175.10 172.85 1iqx s PRO 283 N -0.51 4.56 -0.01 2.72 0.04 -1.22 -1.62 135.00 138.97 1iqx s PRO 283 Ca 0.20 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 1iqx s PRO 283 Cb -0.19 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1iqx s PRO 283 CO -0.05 0.53 0.18 0.71 0.04 0.00 0.00 177.00 178.40 1iqx s TYR 284 N -0.98 3.54 -0.21 0.56 2.02 -0.81 -1.84 117.35 119.64 1iqx s TYR 284 Ca 0.36 0.36 0.15 0.00 -0.37 0.00 0.00 57.07 57.57 1iqx s TYR 284 Cb -0.23 -1.83 0.53 0.00 -0.40 0.00 0.00 41.96 40.03 1iqx s TYR 284 CO 0.26 0.65 1.44 0.41 -1.57 0.00 0.00 175.55 176.73 1iqx n GLY 285 N 0.98 4.23 3.57 0.71 0.00 0.15 -4.93 105.19 109.90 1iqx n GLY 285 Ca -0.11 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1iqx n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqx s ASP 286 N -2.05 6.32 0.00 1.61 2.15 -1.26 -4.80 116.67 118.64 1iqx s ASP 286 Ca 0.43 0.09 0.06 0.00 0.43 0.00 0.00 52.55 53.56 1iqx s ASP 286 Cb 0.36 -2.26 0.36 0.00 -0.30 0.00 0.00 42.92 41.08 1iqx s ASP 286 CO 0.07 -0.41 0.97 -0.81 -0.17 0.00 0.00 175.17 174.83 1iqx n PRO 287 N 5.64 0.70 -2.14 4.34 -0.04 -1.26 -3.53 135.00 138.71 1iqx n PRO 287 Ca -0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1iqx n PRO 287 Cb 0.49 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 1iqx n PRO 287 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1iqx s SER 288 N -1.49 6.80 0.66 3.54 0.15 -1.26 -4.74 113.70 117.36 1iqx s SER 288 Ca 0.09 2.42 0.37 0.00 0.70 0.00 0.00 55.95 59.52 1iqx s SER 288 Cb 0.04 -2.60 2.00 0.00 -1.71 0.00 0.00 66.02 63.75 1iqx s SER 288 CO 0.07 -0.64 2.12 1.55 1.20 0.00 0.00 173.24 177.54 1iqx h PRO 289 N 6.20 0.00 -0.04 5.44 0.13 -1.98 0.43 132.00 142.19 1iqx h PRO 289 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 1iqx h PRO 289 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1iqx h PRO 289 CO 0.83 0.00 -0.37 0.82 -0.23 0.00 0.00 178.00 179.05 1iqx h ILE 290 N 0.00 1.28 0.00 -3.56 1.08 -1.94 -3.36 117.51 111.01 1iqx h ILE 290 Ca 0.00 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1iqx h ILE 290 Cb 0.35 1.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1iqx h ILE 290 CO 0.00 0.39 0.00 0.54 -0.69 0.00 0.00 178.15 178.39 1iqx n ARG 291 N -4.08 0.64 0.01 2.37 1.74 0.49 -4.84 116.66 112.98 1iqx n ARG 291 Ca -0.02 -0.19 0.03 0.00 -0.77 0.00 0.00 57.85 56.91 1iqx n ARG 291 Cb 0.42 -0.63 0.16 0.00 -1.02 0.00 0.00 32.46 31.39 1iqx n ARG 291 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1iqx n SER 292 N -0.15 0.05 -0.27 0.55 3.41 0.12 -1.00 113.62 116.33 1iqx n SER 292 Ca 0.00 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 1iqx n SER 292 Cb 0.08 -0.52 0.07 0.00 -0.26 0.00 0.00 64.21 63.58 1iqx n SER 292 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1iqx n TRP 293 N -1.56 0.00 -2.12 7.33 4.27 -1.26 -4.95 117.44 119.16 1iqx n TRP 293 Ca 0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 1iqx n TRP 293 Cb 0.07 -0.05 -0.03 0.00 -1.36 0.00 0.00 31.31 29.95 1iqx n TRP 293 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 1iqx s GLN 294 N -2.67 3.68 -0.27 -2.67 0.74 -0.17 -4.72 119.66 113.59 1iqx s GLN 294 Ca 0.16 1.54 -0.04 0.00 0.05 0.00 0.00 55.36 57.07 1iqx s GLN 294 Cb 0.18 -4.06 0.14 0.00 1.10 0.00 0.00 33.01 30.37 1iqx s GLN 294 CO 0.65 -1.43 0.51 -0.80 -0.55 0.00 0.00 175.29 173.67 1iqx s ASN 295 N 4.55 -0.69 -0.26 6.67 0.01 -1.26 -1.92 114.94 122.04 1iqx s ASN 295 Ca 0.72 0.85 -0.08 0.00 -0.71 0.00 0.00 52.86 53.64 1iqx s ASN 295 Cb -0.23 1.76 -0.03 0.00 0.41 0.00 0.00 41.25 43.15 1iqx s ASN 295 CO 0.30 -0.26 0.11 -0.31 -1.51 0.00 0.00 177.10 175.43 1iqx s TYR 296 N 2.74 3.13 -1.09 2.20 2.02 -0.64 -4.85 117.35 120.86 1iqx s TYR 296 Ca 0.09 -0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 56.36 1iqx s TYR 296 Cb -0.14 -2.28 0.21 0.00 -0.40 0.00 0.00 41.96 39.35 1iqx s TYR 296 CO -0.18 -0.32 1.19 -0.06 -1.57 0.00 0.00 175.55 174.61 1iqx s PHE 297 N 1.65 3.79 0.35 2.71 0.40 -1.26 0.25 117.98 125.87 1iqx s PHE 297 Ca 0.06 -2.25 0.12 0.00 -0.60 0.00 0.00 56.93 54.27 1iqx s PHE 297 Cb -0.16 -4.07 0.94 0.00 0.51 0.00 0.00 43.02 40.25 1iqx s PHE 297 CO 0.06 -1.18 1.76 -0.44 0.70 0.00 0.00 175.22 176.12 1iqx h ASP 298 N 7.24 0.61 0.00 1.36 5.19 -1.72 0.18 116.42 129.28 1iqx h ASP 298 Ca 0.22 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.72 1iqx h ASP 298 Cb 0.91 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.42 1iqx h ASP 298 CO 1.08 0.14 -0.07 0.74 -3.12 0.00 0.00 179.24 178.01 1iqx h THR 299 N 0.55 1.11 -0.30 0.35 2.02 -1.86 -2.01 112.91 112.77 1iqx h THR 299 Ca 0.60 -1.86 -0.17 0.00 0.77 0.00 0.00 66.41 65.76 1iqx h THR 299 Cb 1.24 2.12 -0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1iqx h THR 299 CO -0.37 0.38 -0.48 1.23 0.37 0.00 0.00 175.52 176.64 1iqx h GLY 300 N -1.00 0.89 0.50 2.16 0.00 -1.79 -2.28 103.07 101.55 1iqx h GLY 300 Ca -0.02 -0.98 -0.34 0.00 0.00 0.00 0.00 47.33 45.99 1iqx h GLY 300 CO -0.01 0.88 -1.87 1.18 0.00 0.00 0.00 176.54 176.73 1iqx n GLU 301 N -4.02 0.73 -0.06 4.80 1.02 0.63 -4.54 120.64 119.20 1iqx n GLU 301 Ca -0.03 0.32 -0.05 0.00 -0.02 0.00 0.00 57.16 57.38 1iqx n GLU 301 Cb 0.59 -1.72 -0.15 0.00 -0.02 0.00 0.00 31.44 30.14 1iqx n GLU 301 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1iqx n TYR 302 N -3.66 0.26 -1.89 -0.32 4.02 -1.19 -1.11 117.16 113.26 1iqx n TYR 302 Ca -0.32 0.09 -0.01 0.00 -0.01 0.00 0.00 57.90 57.65 1iqx n TYR 302 Cb 0.98 -0.96 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1iqx n TYR 302 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1iqx n LEU 303 N -2.73 -3.84 -0.13 7.72 4.77 -0.77 -4.85 117.00 117.17 1iqx n LEU 303 Ca -0.23 0.31 0.20 0.00 -0.03 0.00 0.00 56.01 56.26 1iqx n LEU 303 Cb 1.01 -1.73 0.61 0.00 -2.33 0.00 0.00 43.42 40.98 1iqx n LEU 303 CO 0.44 -0.86 1.22 -0.37 -1.33 0.00 0.00 177.39 176.48 1iqx h VAL 304 N 0.78 0.70 -0.42 4.08 -1.51 -1.45 -2.55 116.25 115.88 1iqx h VAL 304 Ca 0.00 -0.07 -0.06 0.00 -1.23 0.00 0.00 66.70 65.34 1iqx h VAL 304 Cb 0.15 0.49 -0.02 0.00 -2.13 0.00 0.00 31.29 29.78 1iqx h VAL 304 CO 0.05 0.04 -0.00 1.23 -1.23 0.00 0.00 177.57 177.65 1iqx h GLY 305 N 0.19 0.73 2.00 5.19 0.00 -0.88 -2.68 103.07 107.63 1iqx h GLY 305 Ca 0.36 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1iqx h GLY 305 CO -0.07 0.44 -0.08 0.06 0.00 0.00 0.00 176.54 176.89 1iqx h GLN 306 N 0.64 0.00 -0.65 4.80 3.07 -1.23 -2.44 115.11 119.31 1iqx h GLN 306 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.87 1iqx h GLN 306 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1iqx h GLN 306 CO 0.02 0.08 0.00 0.66 0.09 0.00 0.00 178.83 179.67 1iqx n TYR 307 N -3.33 1.50 -1.77 0.06 4.01 -1.01 -4.98 117.16 111.64 1iqx n TYR 307 Ca -0.01 -0.58 -0.41 0.00 -0.16 0.00 0.00 57.90 56.74 1iqx n TYR 307 Cb 0.26 -0.28 -0.01 0.00 -0.31 0.00 0.00 39.34 38.99 1iqx n TYR 307 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1iqx s ALA 308 N -1.97 3.73 0.61 -0.72 0.00 -0.92 -2.73 121.76 119.76 1iqx s ALA 308 Ca 0.48 1.58 -0.10 0.00 0.00 0.00 0.00 51.96 53.92 1iqx s ALA 308 Cb 0.32 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1iqx s ALA 308 CO 0.22 -1.00 1.00 -0.80 0.00 0.00 0.00 175.76 175.18 1iqx s ASN 309 N 0.43 6.22 -0.17 0.00 0.02 0.82 -4.95 114.94 117.31 1iqx s ASN 309 Ca 0.62 1.36 -0.23 0.00 -1.02 0.00 0.00 52.86 53.59 1iqx s ASN 309 Cb -0.48 -2.44 -0.02 0.00 0.02 0.00 0.00 41.25 38.34 1iqx s ASN 309 CO 0.50 -0.85 0.74 -0.44 0.02 0.00 0.00 177.10 177.07 1iqx s SER 310 N -4.18 6.85 -0.13 -1.22 0.01 -1.26 -4.37 113.70 109.39 1iqx s SER 310 Ca 0.54 1.04 -0.23 0.00 1.31 0.00 0.00 55.95 58.61 1iqx s SER 310 Cb -0.11 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1iqx s SER 310 CO 0.53 -0.33 0.72 -0.76 0.41 0.00 0.00 173.24 173.81 1iqx s LEU 311 N 1.98 4.23 -0.02 2.44 1.43 0.10 -4.98 118.68 123.85 1iqx s LEU 311 Ca 0.34 1.09 -0.25 0.00 -1.03 0.00 0.00 54.13 54.28 1iqx s LEU 311 Cb -0.16 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1iqx s LEU 311 CO 0.12 -0.24 0.76 -1.61 0.23 0.00 0.00 176.35 175.61 1iqx s GLU 312 N 1.49 4.47 0.21 1.70 8.01 -1.26 -4.90 118.70 128.43 1iqx s GLU 312 Ca 0.35 1.02 -0.30 0.00 0.01 0.00 0.00 54.97 56.05 1iqx s GLU 312 Cb -0.17 -3.42 -0.09 0.00 -4.31 0.00 0.00 34.13 26.14 1iqx s GLU 312 CO 0.14 0.12 1.41 -1.17 0.01 0.00 0.00 175.26 175.78 1iqx s LEU 313 N 0.53 4.39 0.00 1.80 2.96 -1.26 -0.52 118.68 126.59 1iqx s LEU 313 Ca 0.40 2.56 0.00 0.00 -0.22 0.00 0.00 54.13 56.87 1iqx s LEU 313 Cb -0.19 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.89 1iqx s LEU 313 CO 0.21 -0.66 0.00 0.61 -1.32 0.00 0.00 176.35 175.19 1iqx n GLY 314 N 2.53 2.22 0.07 7.98 0.00 -0.73 -4.72 105.19 112.55 1iqx n GLY 314 Ca 0.08 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1iqx n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqx h ASP 316 N -1.00 0.55 -3.22 0.00 3.32 -1.09 -3.44 116.42 111.55 1iqx h ASP 316 Ca -0.01 -0.84 -0.55 0.00 0.02 0.00 0.00 57.03 55.65 1iqx h ASP 316 Cb 0.39 -0.18 -0.40 0.00 0.22 0.00 0.00 39.33 39.36 1iqx h ASP 316 CO -0.00 1.72 -0.76 0.00 -1.72 0.00 0.00 179.24 178.47 1iqx s LEU 318 N 1.73 4.46 0.00 0.00 2.96 -1.26 -1.77 118.68 124.80 1iqx s LEU 318 Ca 0.04 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 1iqx s LEU 318 Cb -0.17 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.74 1iqx s LEU 318 CO -0.17 0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 1iqx n GLY 319 N 2.10 -0.26 3.46 7.98 0.00 -1.26 -4.87 105.19 112.33 1iqx n GLY 319 Ca -0.10 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 1iqx n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqx s ASP 320 N -4.00 6.23 -0.09 1.61 -1.08 -1.26 -4.94 116.67 113.14 1iqx s ASP 320 Ca 0.00 -0.87 -0.02 0.00 -0.52 0.00 0.00 52.55 51.14 1iqx s ASP 320 Cb 0.00 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 39.04 1iqx s ASP 320 CO 0.00 -1.25 0.01 -0.63 0.52 0.00 0.00 175.17 173.82 1iqx s ILE 321 N 3.61 4.37 -0.19 4.11 -1.09 -1.26 -4.59 121.20 126.16 1iqx s ILE 321 Ca 0.22 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.41 1iqx s ILE 321 Cb -0.17 -2.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.87 1iqx s ILE 321 CO 0.12 0.61 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.41 1iqx s THR 322 N -0.89 2.59 0.16 2.92 2.01 0.51 -4.96 115.64 117.99 1iqx s THR 322 Ca 0.13 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1iqx s THR 322 Cb -0.11 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1iqx s THR 322 CO 0.02 0.50 0.32 -0.31 -0.69 0.00 0.00 174.62 174.46 1iqx s TYR 323 N 1.28 3.49 -0.00 4.92 2.02 -1.26 -0.78 117.35 127.02 1iqx s TYR 323 Ca 0.04 0.22 0.07 0.00 -0.37 0.00 0.00 57.07 57.03 1iqx s TYR 323 Cb -0.14 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 1iqx s TYR 323 CO -0.08 0.47 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.63 1iqx s LEU 324 N -3.18 2.07 -0.54 -1.29 1.43 -0.94 -5.00 118.68 111.23 1iqx s LEU 324 Ca 0.36 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1iqx s LEU 324 Cb -0.11 -1.17 0.14 0.00 0.03 0.00 0.00 46.19 45.08 1iqx s LEU 324 CO 0.29 0.27 0.29 -0.44 0.23 0.00 0.00 176.35 176.98 1iqx s SER 325 N -0.68 4.42 0.63 2.29 0.01 -1.26 -2.37 113.70 116.73 1iqx s SER 325 Ca 0.09 -3.05 -0.18 0.00 1.31 0.00 0.00 55.95 54.12 1iqx s SER 325 Cb -0.09 -1.66 -0.02 0.00 0.21 0.00 0.00 66.02 64.46 1iqx s SER 325 CO -0.00 -0.23 1.20 -2.16 0.41 0.00 0.00 173.24 172.45 1iqx s PRO 326 N -0.35 2.78 -0.11 12.44 0.04 -1.23 -4.63 135.00 143.95 1iqx s PRO 326 Ca 0.17 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.99 1iqx s PRO 326 Cb -0.24 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1iqx s PRO 326 CO -0.01 -1.34 -0.10 0.08 0.04 0.00 0.00 177.00 175.67 1iqx s VAL 327 N -1.74 3.40 0.40 -0.36 1.01 -1.26 -0.37 120.40 121.48 1iqx s VAL 327 Ca 0.76 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1iqx s VAL 327 Cb -0.29 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1iqx s VAL 327 CO 0.36 0.54 0.07 0.27 0.00 0.00 0.00 175.10 176.34 1iqx s ILE 328 N -0.04 1.03 0.13 2.22 -4.36 0.84 -4.82 121.20 116.20 1iqx s ILE 328 Ca -0.01 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.32 1iqx s ILE 328 Cb -0.14 -2.52 -0.06 0.00 1.25 0.00 0.00 42.46 41.00 1iqx s ILE 328 CO 0.03 0.00 0.39 -0.55 0.24 0.00 0.00 174.94 175.05 1iqx s SER 329 N -3.63 6.53 0.60 4.36 0.15 -1.26 0.81 113.70 121.25 1iqx s SER 329 Ca 0.25 0.65 -0.01 0.00 0.70 0.00 0.00 55.95 57.54 1iqx s SER 329 Cb 0.05 -2.12 0.05 0.00 -1.71 0.00 0.00 66.02 62.29 1iqx s SER 329 CO 0.13 0.07 0.30 -0.90 1.20 0.00 0.00 173.24 174.04 1iqx n ASP 330 N 0.25 0.29 0.06 5.45 3.85 0.70 -4.82 116.55 122.33 1iqx n ASP 330 Ca -0.03 -1.27 0.07 0.00 -0.71 0.00 0.00 54.79 52.84 1iqx n ASP 330 Cb 0.52 -0.20 0.30 0.00 -1.35 0.00 0.00 41.12 40.39 1iqx n ASP 330 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1iqx n ALA 331 N -3.04 1.34 0.38 2.12 0.00 -1.26 -2.45 120.51 117.61 1iqx n ALA 331 Ca -0.05 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1iqx n ALA 331 Cb 0.16 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.50 1iqx n ALA 331 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iqx n PHE 332 N -1.78 0.16 -0.36 0.00 3.72 -1.26 -0.18 117.46 117.76 1iqx n PHE 332 Ca 0.01 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1iqx n PHE 332 Cb 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1iqx n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iqx n GLY 333 N 0.82 0.72 3.80 1.37 0.00 -1.03 -4.93 105.19 105.93 1iqx n GLY 333 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1iqx n GLY 333 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iqx s ASN 334 N -2.75 7.19 0.34 1.61 -0.87 -1.26 -4.29 114.94 114.91 1iqx s ASN 334 Ca 0.00 1.49 -0.28 0.00 -1.57 0.00 0.00 52.86 52.50 1iqx s ASN 334 Cb 0.00 -2.44 -0.10 0.00 -0.02 0.00 0.00 41.25 38.69 1iqx s ASN 334 CO 0.00 0.14 1.24 -2.16 -2.57 0.00 0.00 177.10 173.75 1iqx s PRO 335 N -1.53 4.32 -0.05 -0.60 0.04 -1.26 -0.21 135.00 135.71 1iqx s PRO 335 Ca 0.38 2.06 -0.01 0.00 0.04 0.00 0.00 61.00 63.48 1iqx s PRO 335 Cb -0.20 -2.99 0.03 0.00 0.04 0.00 0.00 34.50 31.38 1iqx s PRO 335 CO 0.23 -0.16 0.01 0.50 0.04 0.00 0.00 177.00 177.61 1iqx s ARG 336 N -1.86 0.39 0.03 4.56 3.52 0.24 -4.84 118.95 120.99 1iqx s ARG 336 Ca 0.50 0.13 -0.15 0.00 -0.13 0.00 0.00 55.73 56.09 1iqx s ARG 336 Cb -0.36 -0.70 -0.06 0.00 -1.56 0.00 0.00 34.95 32.26 1iqx s ARG 336 CO 0.48 -0.23 0.44 -2.00 -0.81 0.00 0.00 175.30 173.18 1iqx s GLU 337 N 1.59 3.94 -0.66 5.12 2.12 -1.26 -0.11 118.70 129.44 1iqx s GLU 337 Ca -0.01 0.44 -0.14 0.00 0.36 0.00 0.00 54.97 55.62 1iqx s GLU 337 Cb -0.13 -3.17 0.17 0.00 0.26 0.00 0.00 34.13 31.26 1iqx s GLU 337 CO -0.03 0.65 0.59 0.42 -0.54 0.00 0.00 175.26 176.36 1iqx s ILE 338 N -1.15 5.18 0.17 -3.70 1.01 0.50 -4.98 121.20 118.23 1iqx s ILE 338 Ca 0.27 -2.04 -0.32 0.00 0.00 0.00 0.00 60.65 58.56 1iqx s ILE 338 Cb -0.17 -4.28 -0.11 0.00 0.01 0.00 0.00 42.46 37.92 1iqx s ILE 338 CO 0.15 -0.93 1.70 -0.60 0.00 0.00 0.00 174.94 175.26 1iqx s ARG 339 N 0.85 4.15 -1.49 2.79 6.06 -1.26 -2.67 118.95 127.39 1iqx s ARG 339 Ca 0.11 2.52 -0.08 0.00 -2.50 0.00 0.00 55.73 55.77 1iqx s ARG 339 Cb -0.20 -3.24 0.06 0.00 0.06 0.00 0.00 34.95 31.63 1iqx s ARG 339 CO -0.03 -0.73 0.74 0.09 -2.50 0.00 0.00 175.30 172.87 1iqx n ASN 340 N 4.44 -2.62 0.12 -2.12 3.02 -1.25 -4.18 115.26 112.66 1iqx n ASN 340 Ca 0.16 -0.89 0.13 0.00 -0.03 0.00 0.00 54.58 53.94 1iqx n ASN 340 Cb 0.37 -3.49 0.33 0.00 -0.61 0.00 0.00 39.78 36.39 1iqx n ASN 340 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1iqx h GLY 341 N -1.86 0.00 -5.80 7.41 0.00 -1.24 0.32 103.07 101.90 1iqx h GLY 341 Ca -0.60 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.23 1iqx h GLY 341 CO 0.66 0.00 -0.81 -0.42 0.00 0.00 0.00 176.54 175.97 1iqx s ILE 342 N -3.13 1.07 -0.12 2.60 1.01 -1.01 -4.51 121.20 117.11 1iqx s ILE 342 Ca 0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1iqx s ILE 342 Cb 0.11 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1iqx s ILE 342 CO 0.63 0.34 0.02 0.00 0.00 0.00 0.00 174.94 175.93 1iqx s MET 344 N -0.39 1.37 0.17 0.00 -1.94 0.04 -1.43 119.30 117.12 1iqx s MET 344 Ca 0.08 -0.26 -0.25 0.00 -1.71 0.00 0.00 55.69 53.56 1iqx s MET 344 Cb -0.12 -1.30 0.06 0.00 2.01 0.00 0.00 34.83 35.47 1iqx s MET 344 CO 0.02 -0.11 0.91 -3.38 -0.01 0.00 0.00 175.02 172.45 1iqx s HIS 345 N 1.14 -0.16 0.01 -0.03 -3.43 -0.88 -0.36 115.29 111.58 1iqx s HIS 345 Ca -0.06 -0.17 0.08 0.00 -0.80 0.00 0.00 55.06 54.11 1iqx s HIS 345 Cb -0.14 0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 31.63 1iqx s HIS 345 CO -0.01 -0.88 -0.23 -1.83 -2.00 0.00 0.00 174.74 169.79 1iqx s GLU 346 N -3.38 2.06 0.06 -0.38 -1.05 -1.26 -0.22 118.70 114.53 1iqx s GLU 346 Ca 0.12 -0.96 0.06 0.00 -0.15 0.00 0.00 54.97 54.04 1iqx s GLU 346 Cb -0.02 -2.10 -0.03 0.00 -0.44 0.00 0.00 34.13 31.54 1iqx s GLU 346 CO 0.02 0.55 -0.18 -1.83 0.95 0.00 0.00 175.26 174.78 1iqx s GLU 347 N -0.98 1.08 0.41 -4.83 -1.05 0.07 -4.94 118.70 108.46 1iqx s GLU 347 Ca 0.12 -0.95 -0.26 0.00 -0.15 0.00 0.00 54.97 53.72 1iqx s GLU 347 Cb -0.10 -1.19 -0.09 0.00 -0.44 0.00 0.00 34.13 32.31 1iqx s GLU 347 CO 0.01 0.29 1.42 0.34 0.95 0.00 0.00 175.26 178.27 1iqx s ASP 348 N -1.47 6.15 -0.34 0.83 2.15 -1.26 -1.22 116.67 121.50 1iqx s ASP 348 Ca 0.04 2.90 0.14 0.00 0.43 0.00 0.00 52.55 56.06 1iqx s ASP 348 Cb -0.09 -2.66 0.46 0.00 -0.30 0.00 0.00 42.92 40.33 1iqx s ASP 348 CO 0.02 -0.99 1.04 1.87 -0.17 0.00 0.00 175.17 176.94 1iqx n TRP 349 N 0.12 1.93 -4.62 -5.34 -0.00 -0.19 -4.81 117.44 104.53 1iqx n TRP 349 Ca 0.03 -2.75 0.00 0.00 -0.00 0.00 0.00 57.50 54.78 1iqx n TRP 349 Cb 0.41 -0.27 0.00 0.00 -0.00 0.00 0.00 31.31 31.45 1iqx n TRP 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iqx n GLY 350 N -0.30 0.94 3.74 5.87 0.00 -1.26 -4.31 105.19 109.87 1iqx n GLY 350 Ca 0.20 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 1iqx n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iqx s ILE 351 N 0.00 4.95 -0.19 -0.61 -1.09 -1.26 -0.22 121.20 122.77 1iqx s ILE 351 Ca 0.00 1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 59.59 1iqx s ILE 351 Cb 0.00 -3.99 -0.21 0.00 -1.58 0.00 0.00 42.46 36.68 1iqx s ILE 351 CO 0.00 0.34 0.28 0.25 -1.23 0.00 0.00 174.94 174.59 1iqx h LEU 352 N 6.12 0.08 -7.15 2.97 5.85 -0.22 -3.41 115.31 119.55 1iqx h LEU 352 Ca -0.43 -0.61 -0.08 0.00 0.84 0.00 0.00 57.88 57.60 1iqx h LEU 352 Cb 1.20 -0.03 -0.21 0.00 0.37 0.00 0.00 40.66 41.99 1iqx h LEU 352 CO 0.72 1.52 0.00 0.00 -0.34 0.00 0.00 178.44 180.35 1iqx s ALA 353 N -2.39 -1.46 -0.17 1.25 0.00 -1.10 -4.98 121.76 112.92 1iqx s ALA 353 Ca -0.27 1.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.90 1iqx s ALA 353 Cb 0.05 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.68 1iqx s ALA 353 CO 0.63 -0.30 0.49 0.21 0.00 0.00 0.00 175.76 176.79 1iqx s LYS 354 N -0.35 0.60 -0.28 0.00 2.20 -1.26 -0.74 119.74 119.90 1iqx s LYS 354 Ca -0.05 0.61 -0.16 0.00 -0.36 0.00 0.00 55.97 56.02 1iqx s LYS 354 Cb -0.03 0.29 0.11 0.00 -1.51 0.00 0.00 37.83 36.69 1iqx s LYS 354 CO 0.04 -0.09 0.80 -1.58 -0.36 0.00 0.00 175.35 174.17 1iqx s HIS 355 N 0.11 -0.88 -0.35 4.03 2.46 0.54 -5.00 115.29 116.19 1iqx s HIS 355 Ca -0.01 1.75 -0.02 0.00 0.47 0.00 0.00 55.06 57.24 1iqx s HIS 355 Cb -0.03 0.53 0.08 0.00 -0.13 0.00 0.00 32.58 33.02 1iqx s HIS 355 CO 0.01 -0.44 0.10 -1.12 -2.47 0.00 0.00 174.74 170.82 1iqx s SER 356 N 1.60 5.08 -0.18 9.88 0.01 -1.26 0.12 113.70 128.95 1iqx s SER 356 Ca -0.09 -1.65 -0.21 0.00 1.31 0.00 0.00 55.95 55.31 1iqx s SER 356 Cb -0.05 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 1iqx s SER 356 CO -0.18 -0.40 0.63 -0.62 0.41 0.00 0.00 173.24 173.08 1iqx s ASP 357 N 1.50 6.72 0.03 2.44 2.15 0.07 -4.98 116.67 124.59 1iqx s ASP 357 Ca 0.02 0.87 -0.28 0.00 0.43 0.00 0.00 52.55 53.58 1iqx s ASP 357 Cb -0.21 -2.35 -0.16 0.00 -0.30 0.00 0.00 42.92 39.89 1iqx s ASP 357 CO -0.03 -0.24 1.28 0.25 -0.17 0.00 0.00 175.17 176.26 1iqx h LEU 358 N 7.93 -0.71 -0.71 -1.34 5.85 -1.96 -0.27 115.31 124.11 1iqx h LEU 358 Ca -0.33 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.45 1iqx h LEU 358 Cb 1.15 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1iqx h LEU 358 CO 0.77 -0.37 0.38 -0.50 -0.34 0.00 0.00 178.44 178.38 1iqx h TRP 359 N -1.06 0.68 0.00 1.25 6.55 -1.98 -2.74 115.95 118.66 1iqx h TRP 359 Ca -0.09 0.03 -0.13 0.00 0.95 0.00 0.00 58.89 59.65 1iqx h TRP 359 Cb 0.69 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.77 1iqx h TRP 359 CO 0.00 0.28 -1.26 0.66 -1.05 0.00 0.00 178.44 177.08 1iqx h SER 360 N 0.66 0.00 0.00 -3.49 4.64 -2.00 -3.47 113.55 109.89 1iqx h SER 360 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1iqx h SER 360 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1iqx h SER 360 CO -0.23 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 1iqx n GLY 361 N 1.34 0.78 3.71 -0.77 0.00 -0.11 -5.00 105.19 105.13 1iqx n GLY 361 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1iqx n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iqx s ILE 362 N -3.08 5.16 -0.21 -0.61 1.01 -1.24 -4.88 121.20 117.35 1iqx s ILE 362 Ca 0.00 0.97 -0.04 0.00 0.00 0.00 0.00 60.65 61.58 1iqx s ILE 362 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1iqx s ILE 362 CO 0.00 0.28 -0.02 0.20 0.00 0.00 0.00 174.94 175.40 1iqx s ASN 363 N 0.77 4.54 -0.06 3.58 0.01 -1.26 -0.75 114.94 121.78 1iqx s ASN 363 Ca 0.26 -0.30 0.03 0.00 -0.71 0.00 0.00 52.86 52.14 1iqx s ASN 363 Cb -0.15 -1.78 0.01 0.00 0.41 0.00 0.00 41.25 39.74 1iqx s ASN 363 CO 0.10 0.02 -0.13 -0.47 -1.51 0.00 0.00 177.10 175.11 1iqx s TYR 364 N 1.22 1.50 -0.06 2.20 6.14 0.12 -4.99 117.35 123.49 1iqx s TYR 364 Ca 0.03 -0.51 -0.03 0.00 0.64 0.00 0.00 57.07 57.20 1iqx s TYR 364 Cb -0.14 -1.07 0.04 0.00 0.42 0.00 0.00 41.96 41.20 1iqx s TYR 364 CO -0.00 -0.24 0.14 0.99 0.64 0.00 0.00 175.55 177.09 1iqx s THR 365 N 0.45 -0.04 0.01 4.34 2.01 -1.26 -0.34 115.64 120.80 1iqx s THR 365 Ca -0.11 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1iqx s THR 365 Cb -0.14 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 1iqx s THR 365 CO 0.03 0.07 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.78 1iqx s ARG 366 N 1.08 0.91 0.24 4.92 1.81 0.08 -4.89 118.95 123.09 1iqx s ARG 366 Ca -0.08 -0.52 -0.07 0.00 -1.72 0.00 0.00 55.73 53.35 1iqx s ARG 366 Cb -0.11 -0.88 -0.06 0.00 -0.45 0.00 0.00 34.95 33.46 1iqx s ARG 366 CO -0.05 0.23 0.52 1.03 -0.68 0.00 0.00 175.30 176.34 1iqx s ARG 367 N -0.56 3.69 0.40 3.54 0.52 -1.26 0.43 118.95 125.72 1iqx s ARG 367 Ca 0.03 0.08 0.08 0.00 -0.52 0.00 0.00 55.73 55.40 1iqx s ARG 367 Cb -0.06 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.73 1iqx s ARG 367 CO 0.00 0.30 0.52 1.21 0.02 0.00 0.00 175.30 177.35 1iqx s ASN 368 N -2.73 5.68 0.15 0.23 3.84 0.69 -4.39 114.94 118.41 1iqx s ASN 368 Ca 0.45 -0.39 -0.21 0.00 0.21 0.00 0.00 52.86 52.92 1iqx s ASN 368 Cb -0.11 -0.80 0.06 0.00 -0.55 0.00 0.00 41.25 39.85 1iqx s ASN 368 CO 0.26 -0.66 0.55 -0.13 -2.79 0.00 0.00 177.10 174.32 1iqx s ARG 369 N -4.28 1.24 -0.01 0.43 0.52 -1.26 -1.02 118.95 114.57 1iqx s ARG 369 Ca 0.52 -0.56 -0.05 0.00 -0.52 0.00 0.00 55.73 55.12 1iqx s ARG 369 Cb -0.09 0.56 0.00 0.00 0.52 0.00 0.00 34.95 35.94 1iqx s ARG 369 CO 0.32 -0.53 0.11 -0.98 0.02 0.00 0.00 175.30 174.24 1iqx s ARG 370 N -3.77 0.33 -0.03 3.54 1.70 -0.36 -3.04 118.95 117.32 1iqx s ARG 370 Ca 0.02 -0.22 -0.19 0.00 -0.47 0.00 0.00 55.73 54.88 1iqx s ARG 370 Cb -0.00 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.46 1iqx s ARG 370 CO -0.12 -0.07 0.52 1.41 -1.08 0.00 0.00 175.30 175.97 1iqx s MET 371 N -0.85 4.24 -0.08 3.89 -2.45 0.91 -0.75 119.30 124.21 1iqx s MET 371 Ca -0.09 0.59 0.05 0.00 -1.25 0.00 0.00 55.69 54.99 1iqx s MET 371 Cb -0.05 -3.34 -0.01 0.00 1.25 0.00 0.00 34.83 32.68 1iqx s MET 371 CO 0.01 0.39 -0.24 0.08 1.05 0.00 0.00 175.02 176.31 1iqx s VAL 372 N -0.21 2.04 -0.18 10.11 1.01 0.69 -1.43 120.40 132.43 1iqx s VAL 372 Ca 0.28 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1iqx s VAL 372 Cb -0.17 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.52 1iqx s VAL 372 CO 0.15 0.56 -0.02 -0.63 0.00 0.00 0.00 175.10 175.16 1iqx s ILE 373 N 0.07 0.94 0.12 2.22 1.01 -0.75 -2.08 121.20 122.74 1iqx s ILE 373 Ca -0.11 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1iqx s ILE 373 Cb -0.16 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1iqx s ILE 373 CO 0.06 -0.03 0.06 -0.94 0.00 0.00 0.00 174.94 174.09 1iqx s SER 374 N 1.68 0.31 0.04 3.58 1.04 -0.51 -1.65 113.70 118.19 1iqx s SER 374 Ca -0.01 -1.17 -0.18 0.00 0.48 0.00 0.00 55.95 55.07 1iqx s SER 374 Cb -0.16 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.29 1iqx s SER 374 CO -0.07 -0.73 0.41 0.72 0.98 0.00 0.00 173.24 174.55 1iqx s PHE 375 N -4.03 -0.27 -0.04 5.02 -0.71 -0.85 -1.09 117.98 116.01 1iqx s PHE 375 Ca 0.22 0.23 0.04 0.00 -1.04 0.00 0.00 56.93 56.39 1iqx s PHE 375 Cb 0.07 0.22 -0.00 0.00 -1.21 0.00 0.00 43.02 42.10 1iqx s PHE 375 CO 0.01 -0.57 -0.17 0.12 -1.34 0.00 0.00 175.22 173.26 1iqx s PHE 376 N -2.45 1.72 0.24 3.49 2.19 -1.26 -0.56 117.98 121.35 1iqx s PHE 376 Ca -0.05 -0.49 0.10 0.00 0.33 0.00 0.00 56.93 56.81 1iqx s PHE 376 Cb -0.01 -1.16 -0.05 0.00 -1.31 0.00 0.00 43.02 40.50 1iqx s PHE 376 CO -0.02 -0.17 -0.17 -0.08 1.83 0.00 0.00 175.22 176.61 1iqx s THR 377 N 0.04 2.09 -0.11 0.12 -1.32 0.82 -0.13 115.64 117.15 1iqx s THR 377 Ca -0.04 -2.29 -0.00 0.00 -1.21 0.00 0.00 61.69 58.15 1iqx s THR 377 Cb -0.12 -2.16 0.02 0.00 -1.51 0.00 0.00 72.50 68.74 1iqx s THR 377 CO 0.02 -0.49 -0.08 -0.89 -2.21 0.00 0.00 174.62 170.97 1iqx s THR 378 N -2.72 1.00 -0.45 5.08 2.01 -1.10 -0.83 115.64 118.64 1iqx s THR 378 Ca 0.26 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.00 1iqx s THR 378 Cb -0.03 -1.01 0.13 0.00 0.01 0.00 0.00 72.50 71.59 1iqx s THR 378 CO 0.11 0.36 0.21 -0.63 -0.69 0.00 0.00 174.62 173.98 1iqx s ILE 379 N 1.63 1.88 0.00 1.82 -1.09 -1.26 -4.82 121.20 119.36 1iqx s ILE 379 Ca 0.03 -2.72 0.00 0.00 -2.23 0.00 0.00 60.65 55.74 1iqx s ILE 379 Cb -0.13 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 1iqx s ILE 379 CO -0.07 -0.81 0.00 0.61 -1.23 0.00 0.00 174.94 173.44 1iqx n GLY 380 N 3.57 2.12 1.68 6.18 0.00 -1.26 -4.80 105.19 112.68 1iqx n GLY 380 Ca 0.06 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1iqx n GLY 380 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iqx n ASN 381 N 10.26 5.39 -3.63 1.61 6.94 -1.26 -4.99 115.26 129.58 1iqx n ASN 381 Ca 0.00 -2.79 0.03 0.00 -0.02 0.00 0.00 54.58 51.80 1iqx n ASN 381 Cb 0.00 -0.96 -0.06 0.00 -2.36 0.00 0.00 39.78 36.40 1iqx n ASN 381 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1iqx s ASP 383 N 0.58 -0.03 -0.04 0.53 1.11 -0.95 -0.18 116.67 117.70 1iqx s ASP 383 Ca 0.21 0.06 0.04 0.00 0.18 0.00 0.00 52.55 53.04 1iqx s ASP 383 Cb 0.17 1.02 -0.00 0.00 1.07 0.00 0.00 42.92 45.17 1iqx s ASP 383 CO 0.01 -0.01 -0.15 -0.31 1.18 0.00 0.00 175.17 175.89 1iqx s TYR 384 N 1.07 1.48 -0.11 4.23 2.02 -0.01 -1.23 117.35 124.80 1iqx s TYR 384 Ca -0.08 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.20 1iqx s TYR 384 Cb -0.02 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1iqx s TYR 384 CO -0.10 -0.14 -0.01 0.20 -1.57 0.00 0.00 175.55 173.94 1iqx s GLY 385 N 0.05 1.80 -0.20 0.71 0.00 0.20 -0.13 107.32 109.75 1iqx s GLY 385 Ca -0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 1iqx s GLY 385 CO 0.01 -0.38 -0.12 -1.36 0.00 0.00 0.00 173.10 171.26 1iqx s PHE 386 N -0.40 2.89 -0.09 1.90 0.08 0.28 -0.96 117.98 121.67 1iqx s PHE 386 Ca 0.07 -1.34 0.03 0.00 0.12 0.00 0.00 56.93 55.82 1iqx s PHE 386 Cb -0.12 -2.01 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1iqx s PHE 386 CO 0.02 -0.69 -0.19 0.71 -0.10 0.00 0.00 175.22 174.98 1iqx s TYR 387 N 1.37 2.08 -0.06 0.36 1.51 -0.27 -2.01 117.35 120.33 1iqx s TYR 387 Ca 0.05 -0.84 0.03 0.00 -1.01 0.00 0.00 57.07 55.30 1iqx s TYR 387 Cb -0.14 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 1iqx s TYR 387 CO -0.08 -0.37 -0.15 -1.58 -1.11 0.00 0.00 175.55 172.26 1iqx s TRP 388 N 0.52 2.69 -0.01 2.71 0.52 -0.66 -0.62 118.94 124.09 1iqx s TRP 388 Ca -0.16 -0.30 0.05 0.00 0.02 0.00 0.00 56.10 55.71 1iqx s TRP 388 Cb -0.17 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.48 1iqx s TRP 388 CO 0.06 0.07 -0.16 0.71 0.02 0.00 0.00 176.95 177.65 1iqx s TYR 389 N -0.48 1.42 -0.14 -1.98 2.02 0.96 -1.82 117.35 117.33 1iqx s TYR 389 Ca 0.06 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1iqx s TYR 389 Cb -0.12 -0.91 0.02 0.00 -0.40 0.00 0.00 41.96 40.55 1iqx s TYR 389 CO 0.02 -0.02 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.29 1iqx s LEU 390 N -0.40 1.88 0.26 -1.29 1.43 -0.51 -1.52 118.68 118.53 1iqx s LEU 390 Ca 0.06 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1iqx s LEU 390 Cb -0.06 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 1iqx s LEU 390 CO -0.01 0.01 0.30 -0.31 0.23 0.00 0.00 176.35 176.57 1iqx s TYR 391 N 1.12 3.25 0.32 0.29 2.02 -0.48 -0.06 117.35 123.81 1iqx s TYR 391 Ca -0.02 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 1iqx s TYR 391 Cb -0.14 -1.54 0.60 0.00 -0.40 0.00 0.00 41.96 40.48 1iqx s TYR 391 CO -0.06 0.43 1.91 -0.07 -1.57 0.00 0.00 175.55 176.19 1iqx h LEU 392 N 1.29 0.83 0.00 -1.29 3.38 -1.87 -2.34 115.31 115.32 1iqx h LEU 392 Ca -0.50 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1iqx h LEU 392 Cb 1.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1iqx h LEU 392 CO 0.60 0.52 0.00 -0.90 0.09 0.00 0.00 178.44 178.75 1iqx n ASP 393 N -4.50 0.00 0.00 -0.43 5.75 -1.26 -4.75 116.55 111.35 1iqx n ASP 393 Ca 0.14 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 1iqx n ASP 393 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1iqx n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iqx n GLY 394 N 0.77 0.63 3.75 6.12 0.00 -0.88 -4.79 105.19 110.79 1iqx n GLY 394 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1iqx n GLY 394 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iqx s THR 395 N -2.02 3.89 -0.09 2.61 2.01 -1.26 -4.40 115.64 116.39 1iqx s THR 395 Ca 0.00 1.87 0.04 0.00 0.31 0.00 0.00 61.69 63.91 1iqx s THR 395 Cb 0.00 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1iqx s THR 395 CO 0.00 0.43 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.52 1iqx s ILE 396 N -1.07 2.32 0.01 1.82 1.01 -0.41 -1.38 121.20 123.49 1iqx s ILE 396 Ca 0.43 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 1iqx s ILE 396 Cb -0.28 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 1iqx s ILE 396 CO 0.35 0.56 0.02 -0.70 0.00 0.00 0.00 174.94 175.17 1iqx s GLU 397 N 0.07 0.29 0.01 2.79 2.12 -0.58 -0.01 118.70 123.39 1iqx s GLU 397 Ca -0.09 -0.41 0.08 0.00 0.36 0.00 0.00 54.97 54.90 1iqx s GLU 397 Cb -0.15 0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.32 1iqx s GLU 397 CO 0.06 -0.05 -0.24 0.12 -0.54 0.00 0.00 175.26 174.61 1iqx s PHE 398 N -1.11 2.09 -0.03 5.30 5.36 -0.66 -0.03 117.98 128.91 1iqx s PHE 398 Ca -0.12 -0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 55.45 1iqx s PHE 398 Cb -0.07 -1.30 0.03 0.00 -0.34 0.00 0.00 43.02 41.34 1iqx s PHE 398 CO -0.00 0.04 0.04 -2.00 -1.46 0.00 0.00 175.22 171.83 1iqx s GLU 399 N -0.88 0.00 -0.16 10.12 2.12 0.21 -2.51 118.70 127.59 1iqx s GLU 399 Ca 0.09 0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.58 1iqx s GLU 399 Cb -0.09 -0.37 -0.04 0.00 0.26 0.00 0.00 34.13 33.88 1iqx s GLU 399 CO 0.01 -0.22 0.11 0.00 -0.54 0.00 0.00 175.26 174.62 1iqx s ALA 400 N 1.43 3.67 -0.27 6.30 0.00 0.45 -1.11 121.76 132.24 1iqx s ALA 400 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1iqx s ALA 400 Cb -0.13 -2.01 0.05 0.00 0.00 0.00 0.00 23.12 21.03 1iqx s ALA 400 CO -0.03 0.34 -0.06 0.15 0.00 0.00 0.00 175.76 176.15 1iqx s LYS 401 N -0.15 2.47 -0.30 0.00 1.02 -0.13 -2.02 119.74 120.62 1iqx s LYS 401 Ca 0.10 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.76 1iqx s LYS 401 Cb -0.12 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 1iqx s LYS 401 CO 0.01 -0.54 0.19 0.00 -0.92 0.00 0.00 175.35 174.09 1iqx s ALA 402 N 1.21 3.46 0.00 5.17 0.00 0.15 -0.63 121.76 131.13 1iqx s ALA 402 Ca -0.05 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1iqx s ALA 402 Cb -0.19 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1iqx s ALA 402 CO -0.04 -0.72 0.00 -2.37 0.00 0.00 0.00 175.76 172.63 1iqx n THR 403 N 5.05 0.00 0.00 0.00 5.66 -0.36 -1.76 114.28 122.87 1iqx n THR 403 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1iqx n THR 403 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1iqx n THR 403 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1iqx n GLY 404 N 0.79 -0.11 3.41 1.09 0.00 -1.26 -2.23 105.19 106.88 1iqx n GLY 404 Ca 0.00 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 1iqx n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iqx s VAL 405 N 0.00 2.88 0.49 1.61 1.01 0.75 -1.28 120.40 125.86 1iqx s VAL 405 Ca 0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 1iqx s VAL 405 Cb 0.00 -2.14 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 1iqx s VAL 405 CO 0.00 0.57 1.33 -0.69 0.00 0.00 0.00 175.10 176.31 1iqx s VAL 406 N -0.29 2.34 -0.19 2.92 1.01 -1.26 -4.74 120.40 120.19 1iqx s VAL 406 Ca 0.02 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 1iqx s VAL 406 Cb -0.13 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 1iqx s VAL 406 CO 0.03 0.01 0.99 0.12 0.00 0.00 0.00 175.10 176.24 1iqx s PHE 407 N -1.32 3.40 0.39 5.22 5.36 -1.26 -4.99 117.98 124.78 1iqx s PHE 407 Ca 0.66 1.45 0.08 0.00 -0.96 0.00 0.00 56.93 58.15 1iqx s PHE 407 Cb -0.39 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.10 1iqx s PHE 407 CO 0.47 -0.37 0.52 0.95 -1.46 0.00 0.00 175.22 175.33 1iqx s THR 408 N 2.68 3.29 0.14 0.12 -4.23 -1.26 -4.10 115.64 112.27 1iqx s THR 408 Ca 0.44 -1.04 -0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1iqx s THR 408 Cb -0.16 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 70.57 1iqx s THR 408 CO 0.10 -0.05 0.24 -1.54 -0.54 0.00 0.00 174.62 172.83 1iqx n SER 409 N -1.75 -0.67 -4.87 3.99 3.41 -0.47 -4.89 113.62 108.37 1iqx n SER 409 Ca 0.05 -1.65 -0.31 0.00 -0.26 0.00 0.00 58.87 56.70 1iqx n SER 409 Cb 0.59 1.18 -0.04 0.00 -0.26 0.00 0.00 64.21 65.67 1iqx n SER 409 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iqx s ALA 410 N -1.73 3.41 -0.31 7.33 0.00 -1.26 -0.66 121.76 128.55 1iqx s ALA 410 Ca 0.09 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 1iqx s ALA 410 Cb -0.01 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 1iqx s ALA 410 CO 0.06 0.19 0.37 0.12 0.00 0.00 0.00 175.76 176.50 1iqx s PHE 411 N -2.15 3.22 0.31 0.00 5.36 0.27 -4.10 117.98 120.90 1iqx s PHE 411 Ca 0.50 0.18 -0.29 0.00 -0.96 0.00 0.00 56.93 56.37 1iqx s PHE 411 Cb -0.10 -2.63 -0.13 0.00 -0.34 0.00 0.00 43.02 39.82 1iqx s PHE 411 CO 0.26 -0.34 1.24 -2.30 -1.46 0.00 0.00 175.22 172.62 1iqx n PRO 412 N 5.37 1.91 -0.22 10.12 -0.02 -1.26 -4.82 135.00 146.08 1iqx n PRO 412 Ca -0.09 0.67 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1iqx n PRO 412 Cb 0.50 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.67 1iqx n PRO 412 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1iqx h GLU 413 N 2.66 -0.27 -1.59 -0.52 4.57 -1.99 -1.50 114.58 115.94 1iqx h GLU 413 Ca -0.44 0.02 -0.23 0.00 -1.18 0.00 0.00 59.36 57.53 1iqx h GLU 413 Cb 1.30 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 29.85 1iqx h GLU 413 CO 0.64 -0.18 0.29 0.41 -1.18 0.00 0.00 179.01 178.99 1iqx n GLY 414 N -1.34 3.58 0.53 1.92 0.00 -1.26 -5.00 105.19 103.62 1iqx n GLY 414 Ca -0.02 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.32 1iqx n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqx n GLY 415 N 0.60 -1.64 3.44 -0.02 0.00 -0.57 -5.02 105.19 101.98 1iqx n GLY 415 Ca 0.21 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 1iqx n GLY 415 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iqx s SER 416 N -4.27 -0.55 0.00 1.61 0.15 -1.26 -4.63 113.70 104.75 1iqx s SER 416 Ca 0.00 1.01 0.28 0.00 0.70 0.00 0.00 55.95 57.94 1iqx s SER 416 Cb 0.00 1.02 1.08 0.00 -1.71 0.00 0.00 66.02 66.41 1iqx s SER 416 CO 0.00 -0.23 1.77 0.47 1.20 0.00 0.00 173.24 176.45 1iqx n ASP 417 N 2.56 0.55 -0.06 5.45 8.00 -1.26 -4.03 116.55 127.77 1iqx n ASP 417 Ca -0.14 -0.54 0.01 0.00 0.71 0.00 0.00 54.79 54.83 1iqx n ASP 417 Cb 0.56 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.64 1iqx n ASP 417 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iqx n ASN 418 N -0.98 0.73 -3.77 -2.24 4.13 -1.26 -5.05 115.26 106.83 1iqx n ASN 418 Ca 0.13 -1.52 -0.13 0.00 1.68 0.00 0.00 54.58 54.74 1iqx n ASN 418 Cb 0.30 -0.05 -0.11 0.00 -1.54 0.00 0.00 39.78 38.38 1iqx n ASN 418 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1iqx s ILE 419 N -0.46 -0.00 0.22 2.41 1.01 -1.26 -1.43 121.20 121.68 1iqx s ILE 419 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 60.65 60.75 1iqx s ILE 419 Cb 0.02 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1iqx s ILE 419 CO 0.00 0.00 -0.02 -0.94 0.00 0.00 0.00 174.94 173.99 1iqx s SER 420 N 0.16 4.59 -0.08 3.58 1.04 -0.73 -4.39 113.70 117.86 1iqx s SER 420 Ca -0.00 -0.54 -0.17 0.00 0.48 0.00 0.00 55.95 55.72 1iqx s SER 420 Cb -0.02 -0.89 -0.05 0.00 0.10 0.00 0.00 66.02 65.16 1iqx s SER 420 CO 0.00 0.05 0.44 -1.58 0.98 0.00 0.00 173.24 173.13 1iqx s GLN 421 N -3.27 4.22 -0.10 4.02 0.74 -1.26 -0.23 119.66 123.78 1iqx s GLN 421 Ca 0.29 0.41 0.12 0.00 0.05 0.00 0.00 55.36 56.23 1iqx s GLN 421 Cb -0.08 -3.37 -0.17 0.00 1.10 0.00 0.00 33.01 30.49 1iqx s GLN 421 CO 0.19 0.33 0.11 1.28 -0.55 0.00 0.00 175.29 176.64 1iqx n LEU 422 N 3.09 0.00 -3.82 3.68 4.77 -0.15 -4.48 117.00 120.10 1iqx n LEU 422 Ca -0.10 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.83 1iqx n LEU 422 Cb 0.52 0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.84 1iqx n LEU 422 CO 0.41 0.24 0.60 0.00 -1.33 0.00 0.00 177.39 177.31 1iqx s ALA 423 N -2.47 -1.33 -0.16 -1.18 0.00 -1.24 -4.79 121.76 110.59 1iqx s ALA 423 Ca -0.06 -0.23 -0.34 0.00 0.00 0.00 0.00 51.96 51.33 1iqx s ALA 423 Cb 0.05 0.74 -0.11 0.00 0.00 0.00 0.00 23.12 23.80 1iqx s ALA 423 CO 0.54 -1.04 1.97 -2.30 0.00 0.00 0.00 175.76 174.93 1iqx n PRO 424 N -0.50 1.92 -0.36 0.00 -0.02 -1.26 -1.33 135.00 133.46 1iqx n PRO 424 Ca -0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1iqx n PRO 424 Cb 0.60 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1iqx n PRO 424 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iqx n GLY 425 N 4.91 1.82 3.65 -1.23 0.00 -1.26 -4.57 105.19 108.51 1iqx n GLY 425 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1iqx n GLY 425 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iqx s LEU 426 N 0.00 4.11 0.37 0.99 2.96 -0.44 -0.56 118.68 126.11 1iqx s LEU 426 Ca 0.00 0.22 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 1iqx s LEU 426 Cb 0.00 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 1iqx s LEU 426 CO 0.00 -0.01 0.13 -0.83 -1.32 0.00 0.00 176.35 174.31 1iqx s GLY 427 N 1.20 2.15 -0.26 7.98 0.00 0.17 -0.98 107.32 117.59 1iqx s GLY 427 Ca 0.11 -1.99 -0.04 0.00 0.00 0.00 0.00 44.72 42.80 1iqx s GLY 427 CO 0.07 -1.86 0.12 0.00 0.00 0.00 0.00 173.10 171.43 1iqx s ALA 428 N -2.53 0.55 0.55 3.20 0.00 0.68 -1.37 121.76 122.85 1iqx s ALA 428 Ca 0.38 -0.86 -0.21 0.00 0.00 0.00 0.00 51.96 51.27 1iqx s ALA 428 Cb 0.01 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 1iqx s ALA 428 CO 0.22 -1.52 1.35 -2.14 0.00 0.00 0.00 175.76 173.66 1iqx s PRO 429 N 2.12 3.10 0.43 0.00 0.02 -1.26 -1.77 135.00 137.63 1iqx s PRO 429 Ca 0.07 2.20 -0.24 0.00 0.02 0.00 0.00 61.00 63.05 1iqx s PRO 429 Cb -0.16 -2.22 -0.08 0.00 0.02 0.00 0.00 34.50 32.06 1iqx s PRO 429 CO -0.29 -1.21 1.19 -0.06 -0.33 0.00 0.00 177.00 176.30 1iqx s PHE 430 N -1.32 2.94 0.35 6.54 0.08 -0.52 -4.81 117.98 121.24 1iqx s PHE 430 Ca 0.72 1.52 -0.16 0.00 0.12 0.00 0.00 56.93 59.13 1iqx s PHE 430 Cb -0.40 -3.44 0.04 0.00 -0.57 0.00 0.00 43.02 38.65 1iqx s PHE 430 CO 0.46 -1.54 0.74 -3.38 -0.10 0.00 0.00 175.22 171.41 1iqx s HIS 431 N -1.43 0.10 0.14 0.36 -3.43 -1.03 0.32 115.29 110.31 1iqx s HIS 431 Ca 0.60 -0.68 0.03 0.00 -0.80 0.00 0.00 55.06 54.20 1iqx s HIS 431 Cb -0.31 0.73 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 1iqx s HIS 431 CO 0.39 -1.44 -0.07 -0.65 -2.00 0.00 0.00 174.74 170.97 1iqx s GLN 432 N -2.84 1.00 -0.28 -0.38 -0.21 -0.77 -0.32 119.66 115.86 1iqx s GLN 432 Ca 0.15 -1.43 0.00 0.00 0.02 0.00 0.00 55.36 54.11 1iqx s GLN 432 Cb -0.05 -0.42 0.08 0.00 1.00 0.00 0.00 33.01 33.62 1iqx s GLN 432 CO 0.11 0.01 0.03 -1.01 -2.12 0.00 0.00 175.29 172.30 1iqx s HIS 433 N -3.48 2.27 -0.17 0.91 3.76 0.10 -3.38 115.29 115.31 1iqx s HIS 433 Ca 0.16 -1.90 -0.01 0.00 -0.15 0.00 0.00 55.06 53.16 1iqx s HIS 433 Cb 0.04 -1.84 -0.01 0.00 1.11 0.00 0.00 32.58 31.89 1iqx s HIS 433 CO -0.01 -0.83 -0.12 0.42 -0.85 0.00 0.00 174.74 173.35 1iqx s ILE 434 N 1.43 2.90 0.23 0.60 1.01 0.14 -0.57 121.20 126.94 1iqx s ILE 434 Ca 0.04 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1iqx s ILE 434 Cb -0.18 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1iqx s ILE 434 CO -0.14 0.50 0.22 -0.36 0.00 0.00 0.00 174.94 175.16 1iqx s PHE 435 N 0.89 3.20 -0.20 3.97 0.40 0.32 -0.46 117.98 126.11 1iqx s PHE 435 Ca -0.03 -0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.23 1iqx s PHE 435 Cb -0.15 -1.46 0.05 0.00 0.51 0.00 0.00 43.02 41.97 1iqx s PHE 435 CO -0.01 0.51 -0.02 0.45 0.70 0.00 0.00 175.22 176.85 1iqx s SER 436 N -3.70 3.18 -0.17 1.36 0.15 -0.01 -1.92 113.70 112.59 1iqx s SER 436 Ca 0.33 -0.88 -0.18 0.00 0.70 0.00 0.00 55.95 55.92 1iqx s SER 436 Cb -0.09 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.29 1iqx s SER 436 CO 0.26 -0.24 0.48 0.00 1.20 0.00 0.00 173.24 174.93 1iqx s ALA 437 N 1.63 3.52 -0.34 5.45 0.00 0.08 -0.69 121.76 131.40 1iqx s ALA 437 Ca -0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.49 1iqx s ALA 437 Cb -0.17 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.24 1iqx s ALA 437 CO -0.07 -0.25 0.18 0.50 0.00 0.00 0.00 175.76 176.12 1iqx s ARG 438 N 1.20 3.12 -0.37 0.00 3.52 0.89 -0.89 118.95 126.41 1iqx s ARG 438 Ca 0.24 -0.88 -0.03 0.00 -0.13 0.00 0.00 55.73 54.94 1iqx s ARG 438 Cb -0.15 -3.65 0.09 0.00 -1.56 0.00 0.00 34.95 29.68 1iqx s ARG 438 CO 0.09 -0.54 0.14 -0.51 -0.81 0.00 0.00 175.30 173.67 1iqx s LEU 439 N 1.59 4.84 -0.83 -0.88 1.43 0.15 -2.07 118.68 122.91 1iqx s LEU 439 Ca 0.04 -1.79 -0.24 0.00 -1.03 0.00 0.00 54.13 51.11 1iqx s LEU 439 Cb -0.18 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.30 1iqx s LEU 439 CO 0.07 -0.45 1.25 -0.62 0.23 0.00 0.00 176.35 176.82 1iqx s ASP 440 N 1.62 6.33 0.35 2.29 2.15 -0.06 0.22 116.67 129.57 1iqx s ASP 440 Ca 0.04 -1.07 -0.27 0.00 0.43 0.00 0.00 52.55 51.69 1iqx s ASP 440 Cb -0.22 -2.51 -0.09 0.00 -0.30 0.00 0.00 42.92 39.80 1iqx s ASP 440 CO -0.03 -1.56 1.20 -0.04 -0.17 0.00 0.00 175.17 174.57 1iqx s MET 441 N 4.79 4.27 -0.35 4.34 -1.94 -1.05 -0.38 119.30 128.98 1iqx s MET 441 Ca 0.36 1.95 0.14 0.00 -1.71 0.00 0.00 55.69 56.43 1iqx s MET 441 Cb -0.07 -2.91 0.42 0.00 2.01 0.00 0.00 34.83 34.28 1iqx s MET 441 CO 0.03 -0.17 0.98 0.00 -0.01 0.00 0.00 175.02 175.86 1iqx n ALA 442 N 0.54 2.46 -1.67 3.03 0.00 -0.64 -4.57 120.51 119.66 1iqx n ALA 442 Ca 0.02 -2.76 -0.37 0.00 0.00 0.00 0.00 53.44 50.33 1iqx n ALA 442 Cb 0.45 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 1iqx n ALA 442 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1iqx s ILE 443 N -2.18 3.09 -1.63 0.00 -1.09 -1.08 -1.62 121.20 116.68 1iqx s ILE 443 Ca 0.29 0.05 -0.02 0.00 -2.23 0.00 0.00 60.65 58.74 1iqx s ILE 443 Cb 0.41 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.08 1iqx s ILE 443 CO -0.01 -0.21 0.22 0.47 -1.23 0.00 0.00 174.94 174.18 1iqx n ASP 444 N 15.00 -5.75 0.00 3.58 8.00 0.87 -4.44 116.55 133.80 1iqx n ASP 444 Ca 0.33 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1iqx n ASP 444 Cb 0.54 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 1iqx n ASP 444 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iqx n GLY 445 N -1.17 0.76 0.09 0.44 0.00 -0.64 -4.87 105.19 99.80 1iqx n GLY 445 Ca -0.19 -2.31 0.13 0.00 0.00 0.00 0.00 46.02 43.65 1iqx n GLY 445 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqx n PHE 446 N -0.77 0.83 -2.50 1.61 3.72 -1.26 -4.17 117.46 114.91 1iqx n PHE 446 Ca 0.00 0.24 -0.40 0.00 -0.05 0.00 0.00 57.45 57.24 1iqx n PHE 446 Cb 0.00 -0.86 -0.03 0.00 -0.94 0.00 0.00 39.48 37.65 1iqx n PHE 446 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1iqx s THR 447 N -3.12 3.78 0.28 4.37 2.01 -1.26 -2.82 115.64 118.88 1iqx s THR 447 Ca 0.10 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 61.97 1iqx s THR 447 Cb 0.13 -4.89 -0.06 0.00 0.01 0.00 0.00 72.50 67.69 1iqx s THR 447 CO 0.63 -1.81 0.01 0.20 -0.69 0.00 0.00 174.62 172.96 1iqx s ASN 448 N 4.73 2.25 0.14 3.53 0.01 -0.40 -4.08 114.94 121.12 1iqx s ASN 448 Ca 0.43 -1.28 -0.13 0.00 -0.71 0.00 0.00 52.86 51.18 1iqx s ASN 448 Cb -0.05 -0.07 0.01 0.00 0.41 0.00 0.00 41.25 41.56 1iqx s ASN 448 CO 0.03 -0.51 0.35 0.00 -1.51 0.00 0.00 177.10 175.46 1iqx s ARG 449 N -3.84 1.10 -0.03 -0.60 1.70 -0.18 0.09 118.95 117.20 1iqx s ARG 449 Ca 0.32 -0.91 0.06 0.00 -0.47 0.00 0.00 55.73 54.73 1iqx s ARG 449 Cb 0.06 0.43 -0.01 0.00 -0.57 0.00 0.00 34.95 34.86 1iqx s ARG 449 CO 0.12 -0.42 -0.20 0.08 -1.08 0.00 0.00 175.30 173.80 1iqx s VAL 450 N -3.87 1.61 -0.03 4.99 1.01 -1.26 -1.43 120.40 121.43 1iqx s VAL 450 Ca 0.08 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1iqx s VAL 450 Cb 0.02 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1iqx s VAL 450 CO -0.07 0.46 -0.18 -1.61 0.00 0.00 0.00 175.10 173.69 1iqx s GLU 451 N -0.33 1.70 -0.25 2.72 2.02 -0.06 -0.83 118.70 123.66 1iqx s GLU 451 Ca 0.04 -0.66 -0.17 0.00 0.02 0.00 0.00 54.97 54.20 1iqx s GLU 451 Cb -0.09 -1.55 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 1iqx s GLU 451 CO 0.00 0.33 0.46 -2.00 0.02 0.00 0.00 175.26 174.08 1iqx s GLU 452 N -0.22 4.08 -0.25 1.61 2.12 0.67 -0.58 118.70 126.14 1iqx s GLU 452 Ca 0.02 0.24 -0.07 0.00 0.36 0.00 0.00 54.97 55.52 1iqx s GLU 452 Cb -0.09 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1iqx s GLU 452 CO 0.01 -0.28 0.06 -2.00 -0.54 0.00 0.00 175.26 172.51 1iqx s GLU 453 N 2.07 3.63 0.02 4.30 2.12 -0.14 -1.18 118.70 129.52 1iqx s GLU 453 Ca 0.19 -0.49 0.06 0.00 0.36 0.00 0.00 54.97 55.09 1iqx s GLU 453 Cb -0.16 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1iqx s GLU 453 CO 0.09 -0.19 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.95 1iqx s ASP 454 N 1.60 3.90 0.37 -1.70 1.01 -0.61 -1.45 116.67 119.80 1iqx s ASP 454 Ca 0.06 -0.35 -0.26 0.00 0.71 0.00 0.00 52.55 52.71 1iqx s ASP 454 Cb -0.15 -0.70 -0.09 0.00 1.01 0.00 0.00 42.92 42.99 1iqx s ASP 454 CO 0.03 0.28 1.17 -0.69 0.21 0.00 0.00 175.17 176.17 1iqx s VAL 455 N -0.88 3.17 -0.19 -1.27 1.01 0.20 -0.98 120.40 121.45 1iqx s VAL 455 Ca 0.14 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.16 1iqx s VAL 455 Cb -0.11 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1iqx s VAL 455 CO 0.04 0.13 -0.18 -0.69 0.00 0.00 0.00 175.10 174.40 1iqx s VAL 456 N -1.36 2.07 0.26 2.92 1.01 0.83 -4.82 120.40 121.31 1iqx s VAL 456 Ca 0.54 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1iqx s VAL 456 Cb -0.32 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 1iqx s VAL 456 CO 0.40 0.45 0.76 -0.13 0.00 0.00 0.00 175.10 176.58 1iqx s ARG 457 N 1.26 4.24 0.08 2.72 0.52 -1.26 -0.10 118.95 126.41 1iqx s ARG 457 Ca 0.03 0.89 0.09 0.00 -0.52 0.00 0.00 55.73 56.22 1iqx s ARG 457 Cb -0.14 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 1iqx s ARG 457 CO -0.12 0.32 -0.23 -0.65 0.02 0.00 0.00 175.30 174.63 1iqx s GLN 458 N -2.24 1.74 0.17 3.54 -0.21 -1.23 -4.92 119.66 116.50 1iqx s GLN 458 Ca 0.47 -1.17 -0.25 0.00 0.02 0.00 0.00 55.36 54.43 1iqx s GLN 458 Cb -0.15 -2.02 -0.08 0.00 1.00 0.00 0.00 33.01 31.76 1iqx s GLN 458 CO 0.20 0.49 0.78 0.99 -2.12 0.00 0.00 175.29 175.63 1iqx s THR 459 N -0.96 4.37 0.20 -0.19 2.01 -1.26 -4.86 115.64 114.95 1iqx s THR 459 Ca 0.14 1.70 -0.30 0.00 0.31 0.00 0.00 61.69 63.54 1iqx s THR 459 Cb -0.10 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 1iqx s THR 459 CO 0.05 0.52 1.27 -0.32 -0.69 0.00 0.00 174.62 175.45 1iqx s MET 460 N -1.14 4.43 0.00 4.92 1.75 -1.26 -4.75 119.30 123.24 1iqx s MET 460 Ca 0.36 2.00 0.00 0.00 -1.25 0.00 0.00 55.69 56.79 1iqx s MET 460 Cb -0.23 -3.20 0.00 0.00 2.84 0.00 0.00 34.83 34.23 1iqx s MET 460 CO 0.26 -0.18 0.00 0.41 -0.65 0.00 0.00 175.02 174.86 1iqx n GLY 461 N 2.21 -0.44 3.65 2.11 0.00 -0.10 -4.96 105.19 107.65 1iqx n GLY 461 Ca 0.05 -0.97 -0.52 0.00 0.00 0.00 0.00 46.02 44.58 1iqx n GLY 461 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iqx n PRO 462 N 0.00 1.51 -0.24 1.61 -0.02 -1.26 -0.25 135.00 136.35 1iqx n PRO 462 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1iqx n PRO 462 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1iqx n PRO 462 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iqx n GLY 463 N 3.47 1.97 2.62 -1.23 0.00 -1.26 -4.76 105.19 106.01 1iqx n GLY 463 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 1iqx n GLY 463 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iqx n ASN 464 N 0.00 -0.97 0.10 1.61 5.15 0.65 -5.00 115.26 116.81 1iqx n ASN 464 Ca 0.00 -2.94 0.08 0.00 -0.60 0.00 0.00 54.58 51.12 1iqx n ASN 464 Cb 0.00 0.73 0.55 0.00 -0.53 0.00 0.00 39.78 40.53 1iqx n ASN 464 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1iqx h GLU 465 N 2.63 0.23 -0.07 1.20 3.07 -1.45 -0.02 114.58 120.16 1iqx h GLU 465 Ca -0.14 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1iqx h GLU 465 Cb 1.17 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1iqx h GLU 465 CO 0.18 0.15 0.00 0.54 -1.40 0.00 0.00 179.01 178.49 1iqx n ARG 466 N -4.49 1.82 -3.78 2.33 1.74 -1.26 -4.58 116.66 108.43 1iqx n ARG 466 Ca 0.02 -1.20 -0.27 0.00 -0.77 0.00 0.00 57.85 55.63 1iqx n ARG 466 Cb 0.17 -1.46 0.05 0.00 -1.02 0.00 0.00 32.46 30.19 1iqx n ARG 466 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iqx n GLY 467 N 1.21 -0.48 0.00 -0.13 0.00 -0.72 -4.89 105.19 100.17 1iqx n GLY 467 Ca 0.18 0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.43 1iqx n GLY 467 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iqx n ASN 468 N -2.92 1.87 -4.77 1.61 0.23 -1.26 -4.87 115.26 105.15 1iqx n ASN 468 Ca -0.02 -0.32 -0.40 0.00 -0.53 0.00 0.00 54.58 53.31 1iqx n ASN 468 Cb 0.56 1.17 -0.02 0.00 -2.08 0.00 0.00 39.78 39.41 1iqx n ASN 468 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1iqx s ALA 469 N -2.11 3.31 -0.03 -2.53 0.00 -1.26 -5.05 121.76 114.10 1iqx s ALA 469 Ca -0.00 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.98 1iqx s ALA 469 Cb 0.05 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1iqx s ALA 469 CO 0.30 -0.63 0.26 -0.59 0.00 0.00 0.00 175.76 175.10 1iqx s PHE 470 N -1.26 -0.15 0.00 0.00 -0.12 -1.26 -3.57 117.98 111.62 1iqx s PHE 470 Ca 0.53 0.27 0.00 0.00 -0.05 0.00 0.00 56.93 57.68 1iqx s PHE 470 Cb -0.36 0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.09 1iqx s PHE 470 CO 0.47 -0.31 0.00 0.45 -0.05 0.00 0.00 175.22 175.78 1iqx n SER 471 N 1.69 0.43 -3.72 1.98 2.88 0.86 -4.98 113.62 112.76 1iqx n SER 471 Ca -0.20 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.23 1iqx n SER 471 Cb 0.56 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.96 1iqx n SER 471 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iqx s ARG 472 N 1.23 0.90 0.03 -1.46 1.70 -1.26 -0.12 118.95 119.97 1iqx s ARG 472 Ca 0.00 -0.59 0.02 0.00 -0.47 0.00 0.00 55.73 54.69 1iqx s ARG 472 Cb 0.00 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 1iqx s ARG 472 CO 0.00 -0.31 -0.08 -1.59 -1.08 0.00 0.00 175.30 172.24 1iqx s LYS 473 N -3.04 0.52 -0.06 3.89 -2.85 -0.16 -4.79 119.74 113.26 1iqx s LYS 473 Ca -0.02 -0.61 0.04 0.00 -1.00 0.00 0.00 55.97 54.38 1iqx s LYS 473 Cb 0.01 -0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.42 1iqx s LYS 473 CO -0.06 0.08 -0.17 1.03 0.10 0.00 0.00 175.35 176.33 1iqx s ARG 474 N -1.17 1.95 -0.18 1.78 0.52 -1.26 -1.57 118.95 119.02 1iqx s ARG 474 Ca -0.06 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 1iqx s ARG 474 Cb -0.08 -1.62 0.02 0.00 0.52 0.00 0.00 34.95 33.79 1iqx s ARG 474 CO 0.00 0.16 -0.19 0.99 0.02 0.00 0.00 175.30 176.29 1iqx s THR 475 N 0.29 2.19 0.19 0.02 2.01 -0.32 -4.91 115.64 115.12 1iqx s THR 475 Ca -0.10 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.70 1iqx s THR 475 Cb -0.14 -1.92 -0.08 0.00 0.01 0.00 0.00 72.50 70.37 1iqx s THR 475 CO 0.04 0.53 1.08 -0.69 -0.69 0.00 0.00 174.62 174.89 1iqx s VAL 476 N 1.24 3.89 -0.43 3.82 1.01 -1.26 -0.24 120.40 128.43 1iqx s VAL 476 Ca 0.03 1.67 -0.19 0.00 0.00 0.00 0.00 61.98 63.49 1iqx s VAL 476 Cb -0.13 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1iqx s VAL 476 CO -0.11 0.30 0.54 -0.76 0.00 0.00 0.00 175.10 175.07 1iqx s LEU 477 N -0.50 4.70 -0.05 3.92 1.43 -0.01 -4.95 118.68 123.23 1iqx s LEU 477 Ca 0.48 -0.52 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 1iqx s LEU 477 Cb -0.29 -2.55 -0.24 0.00 0.03 0.00 0.00 46.19 43.15 1iqx s LEU 477 CO 0.35 -0.68 0.65 0.71 0.23 0.00 0.00 176.35 177.61 1iqx h THR 478 N 5.80 0.86 -3.77 5.49 1.35 -1.90 -3.38 112.91 117.36 1iqx h THR 478 Ca -0.26 -2.68 -0.36 0.00 -0.55 0.00 0.00 66.41 62.56 1iqx h THR 478 Cb 1.10 2.46 -0.19 0.00 -1.73 0.00 0.00 68.15 69.80 1iqx h THR 478 CO 0.84 0.58 -0.75 -0.13 -0.25 0.00 0.00 175.52 175.82 1iqx s ARG 479 N -2.60 0.85 0.52 4.72 1.81 -1.26 -1.35 118.95 121.64 1iqx s ARG 479 Ca -0.07 -1.09 0.23 0.00 -1.72 0.00 0.00 55.73 53.08 1iqx s ARG 479 Cb 0.08 -0.66 1.35 0.00 -0.45 0.00 0.00 34.95 35.27 1iqx s ARG 479 CO 0.82 0.12 2.00 0.93 -0.68 0.00 0.00 175.30 178.49 1iqx h GLU 480 N 3.81 0.05 -0.65 3.54 5.08 -1.59 -0.90 114.58 123.92 1iqx h GLU 480 Ca -0.39 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.12 1iqx h GLU 480 Cb 1.19 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1iqx h GLU 480 CO 0.48 0.03 0.44 0.77 -1.00 0.00 0.00 179.01 179.74 1iqx h SER 481 N 0.05 0.23 -0.33 1.42 0.02 -1.87 -1.54 113.55 111.52 1iqx h SER 481 Ca 0.24 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1iqx h SER 481 Cb 0.90 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1iqx h SER 481 CO -0.01 0.12 0.00 -1.84 -1.14 0.00 0.00 176.83 173.96 1iqx n GLU 482 N -4.44 3.00 -0.84 3.45 0.28 -0.35 -4.61 120.64 117.14 1iqx n GLU 482 Ca 0.12 -2.51 0.07 0.00 -0.16 0.00 0.00 57.16 54.67 1iqx n GLU 482 Cb 0.54 -1.61 0.38 0.00 1.43 0.00 0.00 31.44 32.19 1iqx n GLU 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1iqx n ALA 483 N 0.07 3.79 -3.28 -1.84 0.00 -0.58 -4.81 120.51 113.86 1iqx n ALA 483 Ca 0.18 -2.00 -0.40 0.00 0.00 0.00 0.00 53.44 51.21 1iqx n ALA 483 Cb 0.70 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.98 1iqx n ALA 483 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iqx s VAL 484 N -2.80 4.28 0.22 0.00 1.01 -1.26 -2.09 120.40 119.77 1iqx s VAL 484 Ca 0.53 -1.41 0.10 0.00 0.00 0.00 0.00 61.98 61.21 1iqx s VAL 484 Cb 0.41 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1iqx s VAL 484 CO 0.15 -0.53 -0.15 -0.13 0.00 0.00 0.00 175.10 174.44 1iqx s ARG 485 N 1.43 1.85 0.27 2.72 1.81 0.95 -5.00 118.95 122.98 1iqx s ARG 485 Ca 0.03 -1.48 0.10 0.00 -1.72 0.00 0.00 55.73 52.67 1iqx s ARG 485 Cb -0.23 -1.98 -0.04 0.00 -0.45 0.00 0.00 34.95 32.24 1iqx s ARG 485 CO 0.02 0.39 -0.07 -1.83 -0.68 0.00 0.00 175.30 173.14 1iqx s GLU 486 N -3.04 2.11 0.65 3.54 -1.05 -1.26 -1.44 118.70 118.21 1iqx s GLU 486 Ca 0.26 -1.51 -0.14 0.00 -0.15 0.00 0.00 54.97 53.42 1iqx s GLU 486 Cb -0.07 -2.05 -0.01 0.00 -0.44 0.00 0.00 34.13 31.56 1iqx s GLU 486 CO 0.14 0.36 1.08 0.00 0.95 0.00 0.00 175.26 177.79 1iqx s ALA 487 N -2.35 2.58 -0.46 -0.84 0.00 -1.26 -4.94 121.76 114.50 1iqx s ALA 487 Ca 0.31 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.70 1iqx s ALA 487 Cb -0.06 -3.25 0.18 0.00 0.00 0.00 0.00 23.12 19.98 1iqx s ALA 487 CO 0.18 -1.15 0.54 0.34 0.00 0.00 0.00 175.76 175.68 1iqx s ASP 488 N -2.96 -0.07 0.32 0.00 -1.08 -1.26 -5.01 116.67 106.60 1iqx s ASP 488 Ca 0.63 -2.31 0.02 0.00 -0.52 0.00 0.00 52.55 50.37 1iqx s ASP 488 Cb -0.17 0.81 0.58 0.00 -1.46 0.00 0.00 42.92 42.67 1iqx s ASP 488 CO 0.44 -0.11 1.93 0.00 0.52 0.00 0.00 175.17 177.94 1iqx h ALA 489 N 5.40 1.55 -0.73 3.66 0.00 -1.94 -1.78 119.26 125.44 1iqx h ALA 489 Ca 0.15 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1iqx h ALA 489 Cb 1.02 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1iqx h ALA 489 CO 0.18 0.33 0.48 -0.09 0.00 0.00 0.00 179.25 180.15 1iqx h ARG 490 N 0.96 0.86 -0.52 0.00 2.43 -1.98 -1.85 114.38 114.28 1iqx h ARG 490 Ca 0.36 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1iqx h ARG 490 Cb 0.17 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1iqx h ARG 490 CO -0.12 0.57 0.01 0.25 -1.51 0.00 0.00 179.97 179.17 1iqx n THR 491 N -4.45 2.69 -2.57 0.20 -2.24 -1.05 -4.95 114.28 101.90 1iqx n THR 491 Ca 0.09 -1.53 -0.17 0.00 -2.27 0.00 0.00 64.05 60.17 1iqx n THR 491 Cb 0.12 -0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1iqx n THR 491 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqx n GLY 492 N 0.33 -0.50 3.68 3.38 0.00 -0.70 -0.63 105.19 110.75 1iqx n GLY 492 Ca 0.27 0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.86 1iqx n GLY 492 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1iqx n ARG 493 N -3.08 2.25 -4.30 1.61 0.63 -0.69 -4.61 116.66 108.46 1iqx n ARG 493 Ca -0.16 0.81 -0.19 0.00 -0.92 0.00 0.00 57.85 57.39 1iqx n ARG 493 Cb 0.63 -2.60 -0.09 0.00 0.45 0.00 0.00 32.46 30.86 1iqx n ARG 493 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1iqx s THR 494 N 1.11 0.13 -0.05 5.15 -4.23 -0.53 -4.73 115.64 112.49 1iqx s THR 494 Ca 0.79 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1iqx s THR 494 Cb -0.65 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 70.72 1iqx s THR 494 CO 0.38 0.00 -0.08 0.26 -0.54 0.00 0.00 174.62 174.63 1iqx s TRP 495 N -3.58 1.07 -0.16 3.99 0.51 -1.18 -0.97 118.94 118.62 1iqx s TRP 495 Ca 0.38 -0.35 -0.04 0.00 -2.12 0.00 0.00 56.10 53.97 1iqx s TRP 495 Cb 0.04 -0.83 -0.03 0.00 -0.81 0.00 0.00 33.47 31.83 1iqx s TRP 495 CO 0.21 -0.22 -0.03 0.42 -0.51 0.00 0.00 176.95 176.83 1iqx s ILE 496 N 0.73 3.98 -0.26 2.03 1.01 0.25 -0.09 121.20 128.86 1iqx s ILE 496 Ca -0.12 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 1iqx s ILE 496 Cb -0.15 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 1iqx s ILE 496 CO 0.02 0.49 0.07 -0.63 0.00 0.00 0.00 174.94 174.88 1iqx s ILE 497 N 0.38 4.20 0.27 2.92 1.09 0.28 -0.89 121.20 129.46 1iqx s ILE 497 Ca -0.03 -0.28 0.05 0.00 -1.10 0.00 0.00 60.65 59.29 1iqx s ILE 497 Cb -0.14 -3.00 -0.06 0.00 -1.06 0.00 0.00 42.46 38.21 1iqx s ILE 497 CO 0.03 0.30 -0.01 -0.94 -0.10 0.00 0.00 174.94 174.21 1iqx s SER 498 N 1.59 2.37 -0.39 3.58 1.04 -0.51 -1.14 113.70 120.24 1iqx s SER 498 Ca 0.06 -1.24 -0.06 0.00 0.48 0.00 0.00 55.95 55.19 1iqx s SER 498 Cb -0.15 -0.09 0.08 0.00 0.10 0.00 0.00 66.02 65.95 1iqx s SER 498 CO 0.03 -0.46 0.18 0.21 0.98 0.00 0.00 173.24 174.18 1iqx s ASN 499 N -3.41 5.37 0.00 7.02 3.04 -0.84 -1.01 114.94 125.13 1iqx s ASN 499 Ca 0.31 -1.56 0.10 0.00 0.04 0.00 0.00 52.86 51.75 1iqx s ASN 499 Cb 0.06 -1.89 0.57 0.00 -1.54 0.00 0.00 41.25 38.45 1iqx s ASN 499 CO 0.12 -0.47 1.14 -0.81 -3.04 0.00 0.00 177.10 174.04 1iqx n PRO 500 N 4.77 0.24 -0.06 0.43 -0.04 -1.26 -2.06 135.00 137.01 1iqx n PRO 500 Ca -0.09 0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1iqx n PRO 500 Cb 0.43 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1iqx n PRO 500 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iqx n GLU 501 N -1.14 1.73 -3.84 0.54 1.02 -1.26 -4.89 120.64 112.79 1iqx n GLU 501 Ca 0.06 -1.45 -0.28 0.00 -0.02 0.00 0.00 57.16 55.47 1iqx n GLU 501 Cb 0.06 -1.15 -0.16 0.00 -0.02 0.00 0.00 31.44 30.17 1iqx n GLU 501 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iqx s SER 502 N -0.82 2.93 0.07 1.62 0.15 -0.88 -5.10 113.70 111.68 1iqx s SER 502 Ca 0.11 -0.76 0.06 0.00 0.70 0.00 0.00 55.95 56.06 1iqx s SER 502 Cb 0.06 -0.81 -0.04 0.00 -1.71 0.00 0.00 66.02 63.52 1iqx s SER 502 CO 0.09 -0.24 -0.08 -0.54 1.20 0.00 0.00 173.24 173.67 1iqx s LYS 503 N 1.69 2.30 1.06 5.44 1.02 -1.26 -0.52 119.74 129.47 1iqx s LYS 503 Ca -0.01 -0.91 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 1iqx s LYS 503 Cb -0.16 -2.39 0.25 0.00 -0.52 0.00 0.00 37.83 35.01 1iqx s LYS 503 CO -0.07 0.54 1.30 0.54 -0.92 0.00 0.00 175.35 176.73 1iqx s ASN 504 N -1.97 2.26 0.47 2.83 6.03 0.92 -4.84 114.94 120.64 1iqx s ASN 504 Ca 0.21 0.24 0.31 0.00 -1.03 0.00 0.00 52.86 52.59 1iqx s ASN 504 Cb -0.11 -0.23 1.67 0.00 -3.03 0.00 0.00 41.25 39.55 1iqx s ASN 504 CO 0.12 -3.26 1.96 0.08 -2.03 0.00 0.00 177.10 173.97 1iqx h ARG 505 N -2.01 0.00 -0.63 3.55 0.11 -1.89 0.11 114.38 113.63 1iqx h ARG 505 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1iqx h ARG 505 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1iqx h ARG 505 CO 0.31 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.66 1iqx n LEU 506 N -2.62 3.87 -2.21 0.08 4.77 -1.26 -4.92 117.00 114.71 1iqx n LEU 506 Ca -0.02 -1.95 -0.17 0.00 -0.03 0.00 0.00 56.01 53.84 1iqx n LEU 506 Cb 0.07 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1iqx n LEU 506 CO 0.15 0.69 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.63 1iqx n ASN 507 N 0.92 -5.04 -4.41 -1.43 4.05 0.37 -5.04 115.26 104.70 1iqx n ASN 507 Ca 0.21 -0.15 -0.32 0.00 0.45 0.00 0.00 54.58 54.77 1iqx n ASN 507 Cb 0.72 -3.98 -0.14 0.00 1.23 0.00 0.00 39.78 37.61 1iqx n ASN 507 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1iqx s GLU 508 N -5.22 2.35 0.21 1.20 0.41 -1.25 -4.85 118.70 111.54 1iqx s GLU 508 Ca 0.15 -0.79 -0.32 0.00 -0.41 0.00 0.00 54.97 53.60 1iqx s GLU 508 Cb -0.07 -2.24 -0.13 0.00 -1.78 0.00 0.00 34.13 29.91 1iqx s GLU 508 CO 0.19 0.60 1.55 -2.30 -0.49 0.00 0.00 175.26 174.81 1iqx n PRO 509 N 2.37 2.28 -2.05 0.39 -0.02 -1.26 -0.06 135.00 136.66 1iqx n PRO 509 Ca -0.17 0.82 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 1iqx n PRO 509 Cb 0.52 -2.57 0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1iqx n PRO 509 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1iqx s VAL 510 N 0.52 2.70 0.29 -1.45 -7.23 0.32 -4.79 120.40 110.76 1iqx s VAL 510 Ca 0.73 0.44 -0.20 0.00 -1.81 0.00 0.00 61.98 61.14 1iqx s VAL 510 Cb -0.62 -3.18 0.04 0.00 0.56 0.00 0.00 36.38 33.18 1iqx s VAL 510 CO 0.42 -0.09 0.79 -0.83 -0.31 0.00 0.00 175.10 175.08 1iqx s GLY 511 N -1.61 0.03 -0.01 2.32 0.00 -1.04 -1.98 107.32 105.04 1iqx s GLY 511 Ca 0.77 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.12 1iqx s GLY 511 CO 0.32 -0.01 -0.04 -0.19 0.00 0.00 0.00 173.10 173.18 1iqx s TYR 512 N -3.31 0.45 -0.18 1.90 1.51 -0.29 -0.99 117.35 116.44 1iqx s TYR 512 Ca 0.13 -0.08 -0.06 0.00 -1.01 0.00 0.00 57.07 56.05 1iqx s TYR 512 Cb -0.05 -0.32 -0.03 0.00 -0.11 0.00 0.00 41.96 41.44 1iqx s TYR 512 CO 0.08 -0.03 0.02 0.21 -1.11 0.00 0.00 175.55 174.72 1iqx s LYS 513 N 0.07 3.79 -0.26 -0.62 2.20 0.73 -0.56 119.74 125.09 1iqx s LYS 513 Ca -0.00 -0.44 -0.19 0.00 -0.36 0.00 0.00 55.97 54.98 1iqx s LYS 513 Cb -0.04 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.14 1iqx s LYS 513 CO -0.00 0.17 0.55 -1.17 -0.36 0.00 0.00 175.35 174.54 1iqx s LEU 514 N 0.60 4.06 -0.33 5.43 2.96 0.87 -0.90 118.68 131.36 1iqx s LEU 514 Ca 0.01 0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 54.40 1iqx s LEU 514 Cb -0.14 -2.72 0.02 0.00 0.50 0.00 0.00 46.19 43.85 1iqx s LEU 514 CO 0.02 -0.31 0.15 -1.00 -1.32 0.00 0.00 176.35 173.88 1iqx s HIS 515 N 2.37 3.21 0.30 5.38 3.76 0.15 -3.09 115.29 127.37 1iqx s HIS 515 Ca 0.23 -0.94 -0.03 0.00 -0.15 0.00 0.00 55.06 54.16 1iqx s HIS 515 Cb -0.16 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 1iqx s HIS 515 CO 0.09 -0.60 0.55 0.00 -0.85 0.00 0.00 174.74 173.93 1iqx s ALA 516 N 1.53 3.66 -0.92 -1.40 0.00 -1.26 -2.36 121.76 121.01 1iqx s ALA 516 Ca 0.02 -0.68 0.28 0.00 0.00 0.00 0.00 51.96 51.57 1iqx s ALA 516 Cb -0.18 -2.23 0.99 0.00 0.00 0.00 0.00 23.12 21.70 1iqx s ALA 516 CO 0.05 0.16 1.79 0.72 0.00 0.00 0.00 175.76 178.48 1iqx n HIS 517 N -1.20 0.25 -3.67 0.00 8.25 -1.26 -4.95 115.22 112.65 1iqx n HIS 517 Ca -0.03 0.07 -0.25 0.00 -0.26 0.00 0.00 57.72 57.26 1iqx n HIS 517 Cb 0.55 -0.58 0.07 0.00 1.12 0.00 0.00 29.99 31.14 1iqx n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1iqx n ASN 518 N -1.71 -5.53 -4.85 0.41 3.02 -1.26 -5.01 115.26 100.33 1iqx n ASN 518 Ca 0.06 -0.61 -0.31 0.00 -0.03 0.00 0.00 54.58 53.69 1iqx n ASN 518 Cb 0.37 -4.73 0.02 0.00 -0.61 0.00 0.00 39.78 34.82 1iqx n ASN 518 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1iqx s GLN 519 N -6.31 3.43 0.51 3.52 -1.52 -1.26 -4.98 119.66 113.04 1iqx s GLN 519 Ca 0.55 0.84 -0.23 0.00 -1.95 0.00 0.00 55.36 54.57 1iqx s GLN 519 Cb -0.25 -2.06 -0.06 0.00 -0.22 0.00 0.00 33.01 30.42 1iqx s GLN 519 CO 0.76 -0.70 1.39 -2.14 -0.25 0.00 0.00 175.29 174.34 1iqx s PRO 520 N -5.00 3.36 0.00 2.91 0.02 -1.26 -4.84 135.00 130.19 1iqx s PRO 520 Ca 0.57 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.90 1iqx s PRO 520 Cb -0.12 -2.42 0.00 0.00 0.02 0.00 0.00 34.50 31.98 1iqx s PRO 520 CO 0.52 -1.04 0.00 0.25 -0.33 0.00 0.00 177.00 176.39 1iqx n THR 521 N -0.69 0.00 -1.69 0.99 -2.24 -1.26 -4.54 114.28 104.85 1iqx n THR 521 Ca 0.08 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.35 1iqx n THR 521 Cb 0.44 -1.30 -0.06 0.00 -2.10 0.00 0.00 70.33 67.31 1iqx n THR 521 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1iqx n LEU 522 N 0.00 2.98 0.10 3.22 7.94 0.22 -4.88 117.00 126.58 1iqx n LEU 522 Ca 0.00 1.02 0.03 0.00 -1.11 0.00 0.00 56.01 55.95 1iqx n LEU 522 Cb 0.00 -1.29 -0.01 0.00 0.53 0.00 0.00 43.42 42.65 1iqx n LEU 522 CO 0.00 -0.25 0.18 -0.07 -1.11 0.00 0.00 177.39 176.14 1iqx h LEU 523 N 8.06 0.00 -9.55 -1.96 3.38 -1.93 -3.46 115.31 109.85 1iqx h LEU 523 Ca -0.47 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.91 1iqx h LEU 523 Cb 1.29 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.20 1iqx h LEU 523 CO 0.94 0.46 -0.20 0.00 0.09 0.00 0.00 178.44 179.74 1iqx n ALA 524 N -2.28 -0.73 -1.70 1.53 0.00 -1.26 -4.88 120.51 111.19 1iqx n ALA 524 Ca -0.02 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1iqx n ALA 524 Cb 0.75 -1.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1iqx n ALA 524 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iqx n ASP 525 N 0.47 2.89 0.32 0.00 -0.08 -1.26 -4.85 116.55 114.05 1iqx n ASP 525 Ca 0.11 1.19 0.18 0.00 -1.51 0.00 0.00 54.79 54.77 1iqx n ASP 525 Cb 0.44 -1.49 0.96 0.00 2.34 0.00 0.00 41.12 43.37 1iqx n ASP 525 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1iqx h PRO 526 N 3.07 0.00 -0.14 -0.67 0.13 -1.96 -1.04 132.00 131.38 1iqx h PRO 526 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1iqx h PRO 526 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1iqx h PRO 526 CO 0.66 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 1iqx n GLY 527 N -1.17 0.57 3.84 1.56 0.00 -1.26 -4.64 105.19 104.08 1iqx n GLY 527 Ca -0.02 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 1iqx n GLY 527 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iqx s SER 528 N -1.75 5.18 0.12 1.61 1.04 -0.40 -4.97 113.70 114.53 1iqx s SER 528 Ca 0.34 1.35 -0.17 0.00 0.48 0.00 0.00 55.95 57.95 1iqx s SER 528 Cb 0.20 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.11 1iqx s SER 528 CO 0.30 -1.54 1.66 -1.28 0.98 0.00 0.00 173.24 173.36 1iqx h SER 529 N -0.79 0.45 -0.38 7.02 0.87 -1.88 -2.75 113.55 116.09 1iqx h SER 529 Ca -0.45 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 59.92 1iqx h SER 529 Cb 1.24 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1iqx h SER 529 CO 0.60 0.50 0.17 -0.29 -0.53 0.00 0.00 176.83 177.28 1iqx h ILE 530 N 0.37 1.16 -0.42 2.23 6.09 -1.92 0.11 117.51 125.12 1iqx h ILE 530 Ca 0.11 -0.50 -0.05 0.00 -1.37 0.00 0.00 64.86 63.05 1iqx h ILE 530 Cb 0.19 0.65 -0.02 0.00 0.47 0.00 0.00 36.82 38.11 1iqx h ILE 530 CO -0.01 0.19 0.05 0.00 -3.07 0.00 0.00 178.15 175.31 1iqx h ALA 531 N 1.59 1.29 0.17 0.18 0.00 -1.74 0.44 119.26 121.20 1iqx h ALA 531 Ca 0.15 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 1iqx h ALA 531 Cb 0.12 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 17.76 1iqx h ALA 531 CO -0.02 0.49 -1.32 0.00 0.00 0.00 0.00 179.25 178.40 1iqx h ARG 532 N 0.63 0.54 -0.01 0.00 3.08 -1.08 -2.23 114.38 115.32 1iqx h ARG 532 Ca 0.14 -0.80 -0.18 0.00 0.07 0.00 0.00 59.98 59.21 1iqx h ARG 532 Cb 0.32 0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1iqx h ARG 532 CO 0.01 1.37 -0.81 0.00 -1.07 0.00 0.00 179.97 179.47 1iqx h ARG 533 N 0.20 0.12 -1.17 0.04 3.08 -0.58 -3.24 114.38 112.83 1iqx h ARG 533 Ca -0.20 -0.12 -0.60 0.00 0.07 0.00 0.00 59.98 59.12 1iqx h ARG 533 Cb 2.00 0.03 -0.39 0.00 0.08 0.00 0.00 29.97 31.69 1iqx h ARG 533 CO 0.25 0.86 -0.36 0.00 -1.07 0.00 0.00 179.97 179.64 1iqx n ALA 534 N -2.43 5.38 -0.11 0.04 0.00 0.15 -4.82 120.51 118.72 1iqx n ALA 534 Ca -0.02 -3.96 0.16 0.00 0.00 0.00 0.00 53.44 49.62 1iqx n ALA 534 Cb 0.76 -0.77 0.55 0.00 0.00 0.00 0.00 19.45 19.99 1iqx n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqx h ALA 535 N 2.37 2.19 -0.30 0.00 0.00 -1.42 -0.43 119.26 121.67 1iqx h ALA 535 Ca 0.40 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.35 1iqx h ALA 535 Cb 1.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1iqx h ALA 535 CO 0.98 -0.36 0.20 0.27 0.00 0.00 0.00 179.25 180.33 1iqx h PHE 536 N 0.31 0.21 0.00 0.00 -0.00 -1.86 -2.17 116.94 113.43 1iqx h PHE 536 Ca 0.32 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.30 1iqx h PHE 536 Cb 0.83 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 36.71 1iqx h PHE 536 CO -0.00 0.12 0.00 0.00 -0.00 0.00 0.00 178.31 178.43 1iqx n ALA 537 N -2.54 2.01 0.96 12.09 0.00 -0.17 -3.10 120.51 129.77 1iqx n ALA 537 Ca 0.03 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1iqx n ALA 537 Cb 0.21 -1.34 0.40 0.00 0.00 0.00 0.00 19.45 18.72 1iqx n ALA 537 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iqx n THR 538 N -1.42 0.04 -4.17 0.00 -2.24 -0.82 -0.61 114.28 105.07 1iqx n THR 538 Ca 0.07 -0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.66 1iqx n THR 538 Cb 0.21 -0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.22 1iqx n THR 538 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1iqx s LYS 539 N -3.01 0.68 0.18 -0.78 -0.14 -1.18 -4.77 119.74 110.71 1iqx s LYS 539 Ca 0.12 -0.73 0.03 0.00 -1.36 0.00 0.00 55.97 54.03 1iqx s LYS 539 Cb 0.18 -0.58 0.04 0.00 -1.68 0.00 0.00 37.83 35.78 1iqx s LYS 539 CO 0.63 0.13 1.41 -0.44 -0.76 0.00 0.00 175.35 176.32 1iqx h ASP 540 N 4.75 0.24 -3.59 2.83 5.19 -1.72 -3.39 116.42 120.73 1iqx h ASP 540 Ca -0.36 -0.18 -0.19 0.00 -0.62 0.00 0.00 57.03 55.67 1iqx h ASP 540 Cb 1.19 -0.07 -0.28 0.00 0.18 0.00 0.00 39.33 40.35 1iqx h ASP 540 CO 0.42 0.96 -0.49 -0.22 -3.12 0.00 0.00 179.24 176.80 1iqx s LEU 541 N -7.48 0.84 0.03 1.55 2.96 -0.52 -1.37 118.68 114.69 1iqx s LEU 541 Ca -0.03 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.37 1iqx s LEU 541 Cb 0.10 0.68 -0.02 0.00 0.50 0.00 0.00 46.19 47.45 1iqx s LEU 541 CO 0.82 -0.12 -0.13 0.26 -1.32 0.00 0.00 176.35 175.86 1iqx s TRP 542 N 0.68 1.17 -0.09 5.38 0.52 -0.59 -0.03 118.94 125.99 1iqx s TRP 542 Ca -0.05 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.74 1iqx s TRP 542 Cb -0.06 -0.70 0.02 0.00 -1.15 0.00 0.00 33.47 31.58 1iqx s TRP 542 CO -0.04 0.02 -0.11 0.08 0.02 0.00 0.00 176.95 176.93 1iqx s VAL 543 N -0.81 1.11 0.30 4.03 1.01 -0.89 -0.62 120.40 124.55 1iqx s VAL 543 Ca 0.01 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1iqx s VAL 543 Cb -0.08 -1.06 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 1iqx s VAL 543 CO 0.01 0.36 -0.08 0.42 0.00 0.00 0.00 175.10 175.81 1iqx s THR 544 N 1.06 1.94 -0.02 3.92 -4.23 -0.44 -4.70 115.64 113.17 1iqx s THR 544 Ca -0.07 -2.18 -0.24 0.00 -1.18 0.00 0.00 61.69 58.02 1iqx s THR 544 Cb -0.15 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 1iqx s THR 544 CO -0.01 -0.27 0.72 -0.60 -0.54 0.00 0.00 174.62 173.92 1iqx s ARG 545 N -3.66 4.45 0.34 3.99 6.06 -1.26 -0.85 118.95 128.01 1iqx s ARG 545 Ca 0.31 0.95 -0.28 0.00 -2.50 0.00 0.00 55.73 54.21 1iqx s ARG 545 Cb 0.03 -3.41 -0.12 0.00 0.06 0.00 0.00 34.95 31.50 1iqx s ARG 545 CO 0.14 0.16 1.29 0.98 -2.50 0.00 0.00 175.30 175.37 1iqx n TYR 546 N 3.36 2.28 -3.72 5.12 4.19 -0.29 -4.85 117.16 123.26 1iqx n TYR 546 Ca -0.02 0.55 -0.12 0.00 3.31 0.00 0.00 57.90 61.62 1iqx n TYR 546 Cb 0.51 -2.42 -0.11 0.00 0.49 0.00 0.00 39.34 37.82 1iqx n TYR 546 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1iqx s ALA 547 N -1.07 -1.00 -0.68 2.98 0.00 -1.26 -5.02 121.76 115.71 1iqx s ALA 547 Ca 0.56 1.29 0.16 0.00 0.00 0.00 0.00 51.96 53.96 1iqx s ALA 547 Cb -0.57 -0.77 0.71 0.00 0.00 0.00 0.00 23.12 22.50 1iqx s ALA 547 CO 0.62 -0.22 1.48 -0.40 0.00 0.00 0.00 175.76 177.24 1iqx n ASP 548 N 3.48 0.32 -0.82 0.00 5.68 -1.26 -2.25 116.55 121.70 1iqx n ASP 548 Ca -0.18 0.60 0.07 0.00 -0.50 0.00 0.00 54.79 54.79 1iqx n ASP 548 Cb 0.56 -0.66 0.20 0.00 -1.14 0.00 0.00 41.12 40.08 1iqx n ASP 548 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1iqx n ASP 549 N -1.88 3.23 -4.14 -1.12 5.75 -1.26 -4.69 116.55 112.44 1iqx n ASP 549 Ca 0.01 -2.05 -0.38 0.00 -0.01 0.00 0.00 54.79 52.36 1iqx n ASP 549 Cb 0.12 -0.31 -0.06 0.00 -1.03 0.00 0.00 41.12 39.85 1iqx n ASP 549 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1iqx s GLU 550 N -1.10 3.36 -0.22 0.11 2.02 -0.95 -4.86 118.70 117.06 1iqx s GLU 550 Ca 0.30 -3.20 0.05 0.00 0.02 0.00 0.00 54.97 52.14 1iqx s GLU 550 Cb 0.16 -4.03 -0.20 0.00 0.10 0.00 0.00 34.13 30.16 1iqx s GLU 550 CO 0.19 -1.26 -0.07 0.54 0.02 0.00 0.00 175.26 174.69 1iqx n ARG 551 N 2.50 0.67 -4.47 1.61 1.74 -1.26 -4.79 116.66 112.66 1iqx n ARG 551 Ca 0.21 0.13 -0.24 0.00 -0.77 0.00 0.00 57.85 57.17 1iqx n ARG 551 Cb 0.38 -1.55 -0.13 0.00 -1.02 0.00 0.00 32.46 30.13 1iqx n ARG 551 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1iqx s TYR 552 N -2.52 1.75 -0.27 -1.55 2.02 -1.26 -4.91 117.35 110.61 1iqx s TYR 552 Ca -0.27 -0.39 0.26 0.00 -0.37 0.00 0.00 57.07 56.29 1iqx s TYR 552 Cb 0.08 -1.01 1.17 0.00 -0.40 0.00 0.00 41.96 41.80 1iqx s TYR 552 CO 0.68 0.13 1.78 -1.00 -1.57 0.00 0.00 175.55 175.56 1iqx h PRO 553 N 4.54 0.00 -0.09 -1.71 0.13 -1.95 -2.62 132.00 130.30 1iqx h PRO 553 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1iqx h PRO 553 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1iqx h PRO 553 CO 0.42 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.44 1iqx n THR 554 N -2.41 0.22 0.00 1.56 -2.24 -1.26 -1.21 114.28 108.94 1iqx n THR 554 Ca 0.01 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1iqx n THR 554 Cb 0.18 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1iqx n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqx n GLY 555 N 0.61 -0.25 0.17 3.38 0.00 -0.99 -4.30 105.19 103.81 1iqx n GLY 555 Ca 0.08 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 1iqx n GLY 555 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iqx h ASP 556 N 0.00 0.35 -3.56 1.61 3.32 -1.92 -3.42 116.42 112.80 1iqx h ASP 556 Ca 0.00 -0.22 -0.64 0.00 0.02 0.00 0.00 57.03 56.19 1iqx h ASP 556 Cb 0.00 -0.10 -0.40 0.00 0.22 0.00 0.00 39.33 39.05 1iqx h ASP 556 CO 0.00 0.92 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.35 1iqx s PHE 557 N -3.66 3.23 -0.10 4.55 0.08 -1.26 -4.96 117.98 115.87 1iqx s PHE 557 Ca -0.04 -2.67 -0.05 0.00 0.12 0.00 0.00 56.93 54.29 1iqx s PHE 557 Cb 0.11 -2.60 -0.26 0.00 -0.57 0.00 0.00 43.02 39.70 1iqx s PHE 557 CO 0.82 -0.93 0.43 0.28 -0.10 0.00 0.00 175.22 175.72 1iqx h VAL 558 N 6.58 0.68 -1.49 -0.44 2.07 -1.80 -3.41 116.25 118.45 1iqx h VAL 558 Ca -0.07 -2.40 -0.70 0.00 0.82 0.00 0.00 66.70 64.35 1iqx h VAL 558 Cb 1.02 2.53 0.01 0.00 -1.52 0.00 0.00 31.29 33.32 1iqx h VAL 558 CO 0.51 0.86 1.08 -3.20 0.02 0.00 0.00 177.57 176.83 1iqx n ASN 559 N -3.45 2.49 -2.98 0.57 5.15 -1.26 -1.26 115.26 114.52 1iqx n ASN 559 Ca -0.29 0.89 -0.18 0.00 -0.60 0.00 0.00 54.58 54.39 1iqx n ASN 559 Cb 1.05 -1.20 -0.00 0.00 -0.53 0.00 0.00 39.78 39.09 1iqx n ASN 559 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iqx n GLN 560 N 6.36 -3.05 -4.39 1.20 6.02 -1.26 -0.86 117.38 121.40 1iqx n GLN 560 Ca 0.30 0.52 -0.34 0.00 -0.01 0.00 0.00 57.00 57.48 1iqx n GLN 560 Cb 0.18 -5.19 -0.12 0.00 1.02 0.00 0.00 30.24 26.12 1iqx n GLN 560 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1iqx s HIS 561 N -2.80 3.04 0.24 1.08 2.46 -0.39 -4.61 115.29 114.30 1iqx s HIS 561 Ca 0.24 -0.25 -0.04 0.00 0.47 0.00 0.00 55.06 55.48 1iqx s HIS 561 Cb -0.12 -1.95 0.06 0.00 -0.13 0.00 0.00 32.58 30.43 1iqx s HIS 561 CO 0.29 0.01 0.25 -1.13 -2.47 0.00 0.00 174.74 171.69 1iqx n SER 562 N 3.44 -0.68 -4.76 9.88 3.41 -1.26 -4.87 113.62 118.78 1iqx n SER 562 Ca -0.17 -0.84 -0.30 0.00 -0.26 0.00 0.00 58.87 57.30 1iqx n SER 562 Cb 0.52 -0.21 0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1iqx n SER 562 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1iqx s GLY 563 N -3.22 1.62 0.00 5.00 0.00 -1.26 -4.59 107.32 104.86 1iqx s GLY 563 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.72 1iqx s GLY 563 CO 0.11 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.13 1iqx n GLY 564 N -1.65 1.26 0.00 0.20 0.00 -1.26 -5.06 105.19 98.68 1iqx n GLY 564 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1iqx n GLY 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqx n ALA 565 N 0.00 0.00 -0.49 4.61 0.00 -1.26 -4.81 120.51 118.55 1iqx n ALA 565 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iqx n ALA 565 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iqx n ALA 565 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqx n GLY 566 N 4.69 -0.61 0.26 0.00 0.00 -1.26 -4.25 105.19 104.03 1iqx n GLY 566 Ca 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 44.96 1iqx n GLY 566 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iqx h LEU 567 N 0.00 -0.10 -1.84 0.99 3.38 -1.39 -1.87 115.31 114.49 1iqx h LEU 567 Ca 0.00 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1iqx h LEU 567 Cb 0.00 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1iqx h LEU 567 CO 0.00 -0.07 0.16 -0.65 0.09 0.00 0.00 178.44 177.97 1iqx h PRO 568 N 0.21 0.20 0.19 1.13 0.11 -1.85 -1.48 132.00 130.51 1iqx h PRO 568 Ca 0.39 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 66.19 1iqx h PRO 568 Cb 0.67 -0.05 0.02 0.00 0.11 0.00 0.00 31.00 31.76 1iqx h PRO 568 CO -0.53 0.13 -1.35 0.66 -0.21 0.00 0.00 178.00 176.70 1iqx h SER 569 N 0.21 0.65 0.02 -2.05 4.64 -1.53 -3.18 113.55 112.31 1iqx h SER 569 Ca 0.10 -0.69 -0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1iqx h SER 569 Cb 0.15 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1iqx h SER 569 CO -0.02 1.53 -0.01 1.88 -0.87 0.00 0.00 176.83 179.35 1iqx h TYR 570 N 0.12 -0.02 -0.85 4.77 0.05 -1.09 -2.89 116.97 117.06 1iqx h TYR 570 Ca -0.19 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.75 1iqx h TYR 570 Cb 2.06 0.01 -0.06 0.00 1.01 0.00 0.00 36.73 39.74 1iqx h TYR 570 CO 0.10 0.06 0.56 0.82 -1.05 0.00 0.00 178.16 178.64 1iqx h ILE 571 N -0.09 0.76 -0.05 -2.88 1.08 -1.41 -1.40 117.51 113.52 1iqx h ILE 571 Ca -0.00 -0.17 0.02 0.00 -0.39 0.00 0.00 64.86 64.31 1iqx h ILE 571 Cb 0.09 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 34.05 1iqx h ILE 571 CO 0.00 0.09 0.10 0.00 -0.69 0.00 0.00 178.15 177.66 1iqx h ALA 572 N 1.62 1.41 0.00 1.87 0.00 -1.48 -0.05 119.26 122.62 1iqx h ALA 572 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1iqx h ALA 572 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1iqx h ALA 572 CO -0.17 -0.13 0.00 1.96 0.00 0.00 0.00 179.25 180.91 1iqx h GLN 573 N 0.00 0.00 -6.54 0.00 4.20 -1.37 -3.47 115.11 107.93 1iqx h GLN 573 Ca 0.02 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.23 1iqx h GLN 573 Cb 0.23 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 1iqx h GLN 573 CO -0.00 0.00 -0.89 -3.47 -0.67 0.00 0.00 178.83 173.80 1iqx n ASP 574 N -3.07 -0.40 -4.85 1.46 2.03 -0.03 -4.94 116.55 106.75 1iqx n ASP 574 Ca -0.01 -1.02 -0.31 0.00 0.52 0.00 0.00 54.79 53.97 1iqx n ASP 574 Cb 0.19 -2.96 0.03 0.00 -0.72 0.00 0.00 41.12 37.67 1iqx n ASP 574 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1iqx s ARG 575 N -6.62 3.27 -0.06 -0.67 0.52 -1.26 -4.51 118.95 109.62 1iqx s ARG 575 Ca 0.04 0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 55.76 1iqx s ARG 575 Cb -0.02 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 1iqx s ARG 575 CO 0.90 -0.82 1.30 0.34 0.02 0.00 0.00 175.30 177.04 1iqx s ASP 576 N -4.04 6.94 0.00 0.23 2.15 -1.26 -1.82 116.67 118.87 1iqx s ASP 576 Ca 0.56 1.91 0.00 0.00 0.43 0.00 0.00 52.55 55.46 1iqx s ASP 576 Cb -0.12 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1iqx s ASP 576 CO 0.54 -0.68 0.84 2.30 -0.17 0.00 0.00 175.17 178.00 1iqx n ILE 577 N 4.83 0.70 -2.86 4.11 -5.35 -0.46 -4.76 119.36 115.57 1iqx n ILE 577 Ca 0.13 -0.84 -0.43 0.00 -0.27 0.00 0.00 62.75 61.33 1iqx n ILE 577 Cb 0.45 0.66 -0.02 0.00 -1.74 0.00 0.00 39.64 38.98 1iqx n ILE 577 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1iqx s ASP 578 N -0.70 6.64 0.00 7.28 -1.08 -1.18 -4.06 116.67 123.57 1iqx s ASP 578 Ca 0.00 -2.01 0.00 0.00 -0.52 0.00 0.00 52.55 50.02 1iqx s ASP 578 Cb 0.00 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1iqx s ASP 578 CO 0.00 -1.12 0.00 0.61 0.52 0.00 0.00 175.17 175.18 1iqx n GLY 579 N 5.65 0.47 3.14 2.66 0.00 0.11 -4.96 105.19 112.26 1iqx n GLY 579 Ca 0.27 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1iqx n GLY 579 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iqx n GLN 580 N -0.91 0.40 -2.49 1.61 1.13 -0.04 -4.48 117.38 112.60 1iqx n GLN 580 Ca 0.00 -3.25 -0.42 0.00 -1.94 0.00 0.00 57.00 51.39 1iqx n GLN 580 Cb 0.44 2.68 -0.02 0.00 0.11 0.00 0.00 30.24 33.45 1iqx n GLN 580 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1iqx s ASP 581 N -3.27 6.33 0.34 1.08 -1.08 -1.13 -1.28 116.67 117.66 1iqx s ASP 581 Ca 0.39 0.27 0.09 0.00 -0.52 0.00 0.00 52.55 52.78 1iqx s ASP 581 Cb 0.02 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.87 1iqx s ASP 581 CO 0.28 -1.54 -0.08 0.27 0.52 0.00 0.00 175.17 174.61 1iqx s ILE 582 N 5.37 2.10 -0.03 4.11 -4.36 -1.26 -1.13 121.20 126.00 1iqx s ILE 582 Ca 0.49 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.72 1iqx s ILE 582 Cb -0.09 -2.63 0.01 0.00 1.25 0.00 0.00 42.46 41.00 1iqx s ILE 582 CO 0.27 -0.21 -0.06 -0.69 0.24 0.00 0.00 174.94 174.49 1iqx s VAL 583 N -2.70 0.61 -0.16 8.37 1.01 -0.03 -2.52 120.40 124.97 1iqx s VAL 583 Ca 0.32 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1iqx s VAL 583 Cb 0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1iqx s VAL 583 CO 0.16 0.21 0.03 -0.69 0.00 0.00 0.00 175.10 174.81 1iqx s VAL 584 N 0.44 4.48 -0.29 2.92 1.01 0.13 -1.32 120.40 127.77 1iqx s VAL 584 Ca -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1iqx s VAL 584 Cb -0.10 -2.99 0.07 0.00 0.00 0.00 0.00 36.38 33.36 1iqx s VAL 584 CO 0.00 0.49 -0.04 0.26 0.00 0.00 0.00 175.10 175.81 1iqx s TRP 585 N 0.23 3.35 -0.24 5.22 0.52 0.21 0.34 118.94 128.57 1iqx s TRP 585 Ca 0.02 -2.28 -0.08 0.00 0.02 0.00 0.00 56.10 53.78 1iqx s TRP 585 Cb -0.13 -2.20 -0.03 0.00 -1.15 0.00 0.00 33.47 29.96 1iqx s TRP 585 CO 0.01 -0.87 0.09 -1.58 0.02 0.00 0.00 176.95 174.62 1iqx s HIS 586 N 1.12 3.13 -0.16 -1.98 2.46 -0.07 -1.54 115.29 118.26 1iqx s HIS 586 Ca -0.04 -0.24 -0.19 0.00 0.47 0.00 0.00 55.06 55.06 1iqx s HIS 586 Cb -0.20 -2.23 -0.04 0.00 -0.13 0.00 0.00 32.58 29.98 1iqx s HIS 586 CO -0.04 -0.23 0.52 0.99 -2.47 0.00 0.00 174.74 173.51 1iqx s THR 587 N 1.41 5.13 -0.16 0.89 2.01 -0.47 -0.75 115.64 123.70 1iqx s THR 587 Ca 0.06 0.99 -0.14 0.00 0.31 0.00 0.00 61.69 62.91 1iqx s THR 587 Cb -0.15 -3.85 0.04 0.00 0.01 0.00 0.00 72.50 68.56 1iqx s THR 587 CO 0.04 0.23 0.42 0.72 -0.69 0.00 0.00 174.62 175.35 1iqx s PHE 588 N 1.21 -0.48 0.37 4.92 -0.71 -0.81 -4.68 117.98 117.80 1iqx s PHE 588 Ca 0.26 1.15 -0.16 0.00 -1.04 0.00 0.00 56.93 57.14 1iqx s PHE 588 Cb -0.15 0.17 0.06 0.00 -1.21 0.00 0.00 43.02 41.89 1iqx s PHE 588 CO 0.10 -0.24 0.83 0.41 -1.34 0.00 0.00 175.22 174.99 1iqx n GLY 589 N 3.03 0.92 3.58 1.99 0.00 -1.26 -0.52 105.19 112.92 1iqx n GLY 589 Ca -0.14 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1iqx n GLY 589 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iqx s LEU 590 N 0.00 3.29 -0.27 0.99 1.43 0.27 -4.67 118.68 119.72 1iqx s LEU 590 Ca 0.17 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 1iqx s LEU 590 Cb -0.05 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 1iqx s LEU 590 CO 0.11 0.30 0.05 -0.89 0.23 0.00 0.00 176.35 176.15 1iqx s THR 591 N -0.42 3.87 -0.17 5.49 2.01 -1.26 -0.72 115.64 124.44 1iqx s THR 591 Ca 0.07 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 1iqx s THR 591 Cb -0.12 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1iqx s THR 591 CO 0.02 0.20 -0.03 -1.00 -0.69 0.00 0.00 174.62 173.12 1iqx s HIS 592 N 1.51 3.03 -0.52 4.92 3.76 0.57 -5.00 115.29 123.56 1iqx s HIS 592 Ca 0.04 -0.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.64 1iqx s HIS 592 Cb -0.16 -1.99 0.14 0.00 1.11 0.00 0.00 32.58 31.67 1iqx s HIS 592 CO 0.01 -0.09 0.29 -0.06 -0.85 0.00 0.00 174.74 174.04 1iqx s PHE 593 N 0.53 2.86 0.27 1.40 0.08 -1.26 -2.47 117.98 119.39 1iqx s PHE 593 Ca -0.02 -2.98 -0.28 0.00 0.12 0.00 0.00 56.93 53.76 1iqx s PHE 593 Cb -0.14 -2.51 -0.14 0.00 -0.57 0.00 0.00 43.02 39.65 1iqx s PHE 593 CO 0.02 -0.73 0.97 -2.30 -0.10 0.00 0.00 175.22 173.08 1iqx n PRO 594 N 3.07 1.18 -3.94 0.24 -0.02 -1.26 -5.00 135.00 129.27 1iqx n PRO 594 Ca 0.08 0.41 -0.22 0.00 -2.02 0.00 0.00 63.50 61.76 1iqx n PRO 594 Cb 0.33 -1.75 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 1iqx n PRO 594 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1iqx s ARG 595 N -1.39 2.58 0.46 -0.52 0.52 -1.26 -4.79 118.95 114.56 1iqx s ARG 595 Ca 0.60 -1.39 0.12 0.00 -0.52 0.00 0.00 55.73 54.55 1iqx s ARG 595 Cb -0.74 -2.36 1.05 0.00 0.52 0.00 0.00 34.95 33.42 1iqx s ARG 595 CO 0.59 0.11 2.07 0.28 0.02 0.00 0.00 175.30 178.37 1iqx h VAL 596 N 1.38 1.01 0.00 3.52 2.07 -1.87 0.77 116.25 123.13 1iqx h VAL 596 Ca -0.44 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1iqx h VAL 596 Cb 1.25 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1iqx h VAL 596 CO 0.60 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.63 1iqx n GLU 597 N -4.49 0.14 0.01 1.57 4.71 -1.26 -1.55 120.64 119.77 1iqx n GLU 597 Ca 0.03 0.49 0.13 0.00 -0.01 0.00 0.00 57.16 57.80 1iqx n GLU 597 Cb 0.17 -1.85 0.45 0.00 -1.01 0.00 0.00 31.44 29.20 1iqx n GLU 597 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1iqx n ASP 598 N -2.13 0.26 -4.64 1.62 8.00 0.26 -4.56 116.55 115.37 1iqx n ASP 598 Ca 0.01 0.20 -0.33 0.00 0.71 0.00 0.00 54.79 55.37 1iqx n ASP 598 Cb 0.14 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 40.94 1iqx n ASP 598 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1iqx s TRP 599 N -3.01 3.02 -0.64 1.24 -0.11 -0.60 -2.10 118.94 116.75 1iqx s TRP 599 Ca 0.12 0.07 0.25 0.00 1.22 0.00 0.00 56.10 57.77 1iqx s TRP 599 Cb 0.18 -1.70 0.73 0.00 -1.50 0.00 0.00 33.47 31.17 1iqx s TRP 599 CO 0.61 0.41 1.74 -1.00 -4.62 0.00 0.00 176.95 174.09 1iqx h PRO 600 N 4.86 0.00 -3.67 5.86 0.13 -1.88 -3.49 132.00 133.82 1iqx h PRO 600 Ca -0.49 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.31 1iqx h PRO 600 Cb 1.18 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.97 1iqx h PRO 600 CO 0.54 0.00 -0.74 -1.50 -0.23 0.00 0.00 178.00 176.07 1iqx s ILE 601 N -3.15 0.10 0.14 -3.56 2.07 -1.22 -4.71 121.20 110.88 1iqx s ILE 601 Ca 0.09 0.12 -0.31 0.00 -1.41 0.00 0.00 60.65 59.15 1iqx s ILE 601 Cb 0.10 -0.21 -0.08 0.00 0.13 0.00 0.00 42.46 42.41 1iqx s ILE 601 CO 0.60 0.12 1.31 -0.04 -1.91 0.00 0.00 174.94 175.02 1iqx s MET 602 N 0.99 4.38 0.49 3.50 -1.94 -0.40 -4.76 119.30 121.56 1iqx s MET 602 Ca -0.09 2.00 -0.18 0.00 -1.71 0.00 0.00 55.69 55.70 1iqx s MET 602 Cb -0.13 -3.25 -0.09 0.00 2.01 0.00 0.00 34.83 33.38 1iqx s MET 602 CO -0.02 -0.31 0.98 -1.25 -0.01 0.00 0.00 175.02 174.41 1iqx s PRO 603 N 0.55 3.99 0.12 2.03 0.04 -1.26 -4.21 135.00 136.25 1iqx s PRO 603 Ca 0.60 1.07 -0.35 0.00 0.04 0.00 0.00 61.00 62.36 1iqx s PRO 603 Cb -0.35 -2.14 -0.15 0.00 0.04 0.00 0.00 34.50 31.91 1iqx s PRO 603 CO 0.33 -0.24 1.54 0.28 0.04 0.00 0.00 177.00 178.95 1iqx n VAL 604 N -1.22 0.04 -4.65 -0.36 0.31 -1.26 -4.78 118.33 106.40 1iqx n VAL 604 Ca 0.07 -0.01 -0.31 0.00 -0.01 0.00 0.00 64.34 64.09 1iqx n VAL 604 Cb 0.54 -1.37 -0.13 0.00 -0.91 0.00 0.00 33.84 31.98 1iqx n VAL 604 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iqx s ASP 605 N 1.02 3.79 0.18 4.52 2.15 -0.72 -4.95 116.67 122.65 1iqx s ASP 605 Ca 0.81 -0.43 0.07 0.00 0.43 0.00 0.00 52.55 53.43 1iqx s ASP 605 Cb -0.76 -0.60 -0.04 0.00 -0.30 0.00 0.00 42.92 41.22 1iqx s ASP 605 CO 0.41 0.25 -0.14 0.42 -0.17 0.00 0.00 175.17 175.94 1iqx s THR 606 N -0.93 1.58 0.12 1.71 -4.23 -1.26 -0.67 115.64 111.96 1iqx s THR 606 Ca 0.15 -2.06 -0.21 0.00 -1.18 0.00 0.00 61.69 58.38 1iqx s THR 606 Cb -0.10 -1.89 0.06 0.00 1.34 0.00 0.00 72.50 71.90 1iqx s THR 606 CO 0.05 -0.55 0.53 0.54 -0.54 0.00 0.00 174.62 174.65 1iqx s VAL 607 N -2.76 0.02 -0.60 2.29 0.11 -0.86 -4.99 120.40 113.61 1iqx s VAL 607 Ca 0.18 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1iqx s VAL 607 Cb -0.02 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 1iqx s VAL 607 CO 0.05 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 1iqx n GLY 608 N -0.14 -0.72 3.66 6.54 0.00 -1.26 -0.41 105.19 112.86 1iqx n GLY 608 Ca -0.17 -0.40 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 1iqx n GLY 608 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1iqx s PHE 609 N -3.74 -0.14 0.13 1.61 -0.12 -1.05 -4.16 117.98 110.51 1iqx s PHE 609 Ca 0.00 -0.06 -0.12 0.00 -0.05 0.00 0.00 56.93 56.70 1iqx s PHE 609 Cb 0.00 0.59 0.01 0.00 -0.63 0.00 0.00 43.02 42.99 1iqx s PHE 609 CO 0.00 -0.57 0.32 -1.59 -0.05 0.00 0.00 175.22 173.33 1iqx s LYS 610 N -2.94 1.07 -0.07 1.99 -2.85 -0.99 -1.65 119.74 114.29 1iqx s LYS 610 Ca 0.11 -0.93 0.02 0.00 -1.00 0.00 0.00 55.97 54.17 1iqx s LYS 610 Cb 0.00 0.41 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 1iqx s LYS 610 CO -0.02 -0.40 -0.12 -0.51 0.10 0.00 0.00 175.35 174.40 1iqx s LEU 611 N -2.88 1.62 0.02 2.77 1.02 0.98 -0.68 118.68 121.54 1iqx s LEU 611 Ca 0.08 -0.32 0.07 0.00 0.02 0.00 0.00 54.13 53.99 1iqx s LEU 611 Cb 0.03 -0.87 -0.03 0.00 0.02 0.00 0.00 46.19 45.34 1iqx s LEU 611 CO -0.07 0.02 -0.21 -0.13 0.02 0.00 0.00 176.35 175.98 1iqx s ARG 612 N 0.77 2.09 0.37 1.70 0.52 -0.08 -1.29 118.95 123.04 1iqx s ARG 612 Ca -0.12 -0.95 -0.28 0.00 -0.52 0.00 0.00 55.73 53.85 1iqx s ARG 612 Cb -0.16 -2.15 -0.11 0.00 0.52 0.00 0.00 34.95 33.05 1iqx s ARG 612 CO 0.02 0.55 1.41 -0.35 0.02 0.00 0.00 175.30 176.95 1iqx n PRO 613 N 1.87 2.44 -3.55 3.54 -0.04 -1.26 -0.19 135.00 137.81 1iqx n PRO 613 Ca -0.16 0.86 -0.28 0.00 -0.04 0.00 0.00 63.50 63.87 1iqx n PRO 613 Cb 0.52 -2.53 -0.11 0.00 -0.04 0.00 0.00 33.50 31.33 1iqx n PRO 613 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1iqx s GLU 614 N -2.04 1.09 -0.73 0.54 2.56 -0.16 -4.72 118.70 115.24 1iqx s GLU 614 Ca 0.54 -2.03 0.00 0.00 0.00 0.00 0.00 54.97 53.49 1iqx s GLU 614 Cb -0.51 -1.84 0.00 0.00 2.00 0.00 0.00 34.13 33.78 1iqx s GLU 614 CO 0.63 -1.28 0.00 0.41 -0.56 0.00 0.00 175.26 174.46 1iqx n GLY 615 N 3.22 0.85 0.14 -1.50 0.00 -1.26 -2.49 105.19 104.14 1iqx n GLY 615 Ca 0.19 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 1iqx n GLY 615 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iqx h PHE 616 N 0.00 0.72 -2.43 1.61 3.57 -1.88 -3.37 116.94 115.17 1iqx h PHE 616 Ca -0.15 -0.47 -0.44 0.00 3.53 0.00 0.00 57.97 60.44 1iqx h PHE 616 Cb 0.52 -0.05 0.04 0.00 2.79 0.00 0.00 35.95 39.24 1iqx h PHE 616 CO 0.20 1.33 -0.09 -0.06 -2.23 0.00 0.00 178.31 177.46 1iqx s PHE 617 N -2.80 2.97 -1.59 0.41 0.40 -1.26 -4.87 117.98 111.24 1iqx s PHE 617 Ca -0.12 0.00 0.25 0.00 -0.60 0.00 0.00 56.93 56.47 1iqx s PHE 617 Cb 0.03 -2.56 0.55 0.00 0.51 0.00 0.00 43.02 41.56 1iqx s PHE 617 CO 0.86 -0.64 1.44 -0.25 0.70 0.00 0.00 175.22 177.33 1iqx n ASP 618 N -2.18 1.04 0.00 1.36 8.00 -1.26 -4.85 116.55 118.65 1iqx n ASP 618 Ca 0.06 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1iqx n ASP 618 Cb 0.59 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 1iqx n ASP 618 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1iqx n ARG 619 N -0.80 -1.82 -1.64 -1.24 1.85 -1.26 -4.93 116.66 106.82 1iqx n ARG 619 Ca 0.10 0.00 -0.48 0.00 -1.00 0.00 0.00 57.85 56.47 1iqx n ARG 619 Cb 0.36 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.72 1iqx n ARG 619 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1iqx n SER 620 N 0.00 2.50 -0.23 2.89 2.88 -1.26 -4.87 113.62 115.54 1iqx n SER 620 Ca 0.00 1.10 0.11 0.00 -1.33 0.00 0.00 58.87 58.75 1iqx n SER 620 Cb 0.00 -1.34 0.52 0.00 -0.75 0.00 0.00 64.21 62.64 1iqx n SER 620 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1iqx n PRO 621 N 2.94 1.30 -0.62 -1.46 -0.04 -1.26 -4.00 135.00 131.87 1iqx n PRO 621 Ca 0.17 -0.45 0.02 0.00 -0.04 0.00 0.00 63.50 63.19 1iqx n PRO 621 Cb 0.25 -1.36 0.21 0.00 -0.04 0.00 0.00 33.50 32.56 1iqx n PRO 621 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1iqx n VAL 622 N -0.35 2.38 0.28 0.52 0.24 -1.26 -4.58 118.33 115.55 1iqx n VAL 622 Ca 0.16 -2.56 0.15 0.00 -2.04 0.00 0.00 64.34 60.05 1iqx n VAL 622 Cb 0.18 -0.29 0.48 0.00 -1.47 0.00 0.00 33.84 32.74 1iqx n VAL 622 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1iqx h LEU 623 N 1.06 0.00 -1.29 1.34 3.38 -1.98 -2.87 115.31 114.95 1iqx h LEU 623 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1iqx h LEU 623 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1iqx h LEU 623 CO 0.26 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.89 1iqx n ASP 624 N -3.01 1.92 -4.70 -0.43 5.75 -1.26 -4.87 116.55 109.95 1iqx n ASP 624 Ca 0.02 -1.81 -0.42 0.00 -0.01 0.00 0.00 54.79 52.57 1iqx n ASP 624 Cb 0.39 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 1iqx n ASP 624 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1iqx s VAL 625 N -1.69 4.14 1.02 2.12 1.01 -1.09 -5.02 120.40 120.89 1iqx s VAL 625 Ca 0.31 1.50 -0.17 0.00 0.00 0.00 0.00 61.98 63.62 1iqx s VAL 625 Cb 0.17 -3.96 0.22 0.00 0.00 0.00 0.00 36.38 32.81 1iqx s VAL 625 CO 0.24 0.04 1.26 -2.16 0.00 0.00 0.00 175.10 174.49 1iqx s PRO 626 N 1.79 0.16 0.00 2.72 0.04 -1.26 -5.00 135.00 133.45 1iqx s PRO 626 Ca 0.58 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1iqx s PRO 626 Cb -0.27 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1iqx s PRO 626 CO 0.25 -2.75 0.20 0.00 0.04 0.00 0.00 177.00 174.74 1iqx n ALA 627 N -4.03 0.00 -0.15 8.56 0.00 -1.26 -4.81 120.51 118.83 1iqx n ALA 627 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1iqx n ALA 627 Cb 0.59 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1iqx n ALA 627 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59