#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iqx s ALA 2 N 0.00 1.00 0.18 -5.12 0.00 -1.22 -4.84 121.76 111.77 2iqx s ALA 2 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 51.96 51.16 2iqx s ALA 2 Cb 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 23.12 22.68 2iqx s ALA 2 CO 0.00 0.21 1.53 0.00 0.00 0.00 0.00 175.76 177.50 2iqx n ALA 3 N 3.02 1.27 -2.58 0.00 0.00 -1.11 -4.78 120.51 116.33 2iqx n ALA 3 Ca -0.16 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 2iqx n ALA 3 Cb 0.55 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 2iqx n ALA 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2iqx s ASP 4 N 0.73 6.56 0.11 0.00 2.15 -1.26 -4.75 116.67 120.21 2iqx s ASP 4 Ca 0.76 -1.64 0.18 0.00 0.43 0.00 0.00 52.55 52.27 2iqx s ASP 4 Cb -0.67 -2.56 0.76 0.00 -0.30 0.00 0.00 42.92 40.14 2iqx s ASP 4 CO 0.41 -1.43 1.56 0.00 -0.17 0.00 0.00 175.17 175.54 2iqx n ILE 5 N 6.73 0.96 0.77 4.11 0.13 -1.26 -2.29 119.36 128.52 2iqx n ILE 5 Ca 0.35 0.26 0.13 0.00 -1.10 0.00 0.00 62.75 62.39 2iqx n ILE 5 Cb 0.50 -1.10 0.50 0.00 -0.84 0.00 0.00 39.64 38.70 2iqx n ILE 5 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 2iqx n SER 6 N -1.82 0.41 -1.94 9.51 3.41 -1.26 -2.67 113.62 119.26 2iqx n SER 6 Ca 0.03 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2iqx n SER 6 Cb 0.19 -0.65 0.35 0.00 -0.26 0.00 0.00 64.21 63.83 2iqx n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iqx n GLN 7 N -1.89 4.27 -0.15 4.33 1.13 -0.97 -4.62 117.38 119.47 2iqx n GLN 7 Ca 0.06 -3.05 -0.03 0.00 -1.94 0.00 0.00 57.00 52.04 2iqx n GLN 7 Cb 0.37 -2.23 0.06 0.00 0.11 0.00 0.00 30.24 28.54 2iqx n GLN 7 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 2iqx h TRP 8 N 3.28 0.18 -0.59 1.08 2.91 -1.71 -1.22 115.95 119.89 2iqx h TRP 8 Ca 0.13 0.03 -0.18 0.00 1.13 0.00 0.00 58.89 60.01 2iqx h TRP 8 Cb 2.15 -0.01 -0.10 0.00 -0.51 0.00 0.00 29.16 30.68 2iqx h TRP 8 CO 1.18 0.02 0.22 0.00 -1.03 0.00 0.00 178.44 178.83 2iqx n ALA 9 N -2.48 4.16 -1.06 2.65 0.00 -1.26 -1.31 120.51 121.21 2iqx n ALA 9 Ca 0.05 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.67 2iqx n ALA 9 Cb 0.22 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2iqx n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iqx n GLY 10 N -0.06 0.38 0.26 0.00 0.00 -0.46 -4.67 105.19 100.63 2iqx n GLY 10 Ca 0.32 -1.57 0.15 0.00 0.00 0.00 0.00 46.02 44.93 2iqx n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iqx h PRO 11 N 0.00 0.00 0.00 1.61 0.13 -1.90 -0.94 132.00 130.90 2iqx h PRO 11 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2iqx h PRO 11 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2iqx h PRO 11 CO 0.00 0.00 -0.29 -0.07 -0.23 0.00 0.00 178.00 177.41 2iqx h LEU 12 N 0.00 0.00 -1.68 1.56 3.38 -1.83 -3.48 115.31 113.26 2iqx h LEU 12 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 2iqx h LEU 12 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2iqx h LEU 12 CO 0.00 0.28 -0.84 -1.20 0.09 0.00 0.00 178.44 176.78 2iqx n SER 13 N -3.17 -1.51 0.18 -0.43 7.64 -0.36 -4.86 113.62 111.11 2iqx n SER 13 Ca 0.03 -0.87 0.14 0.00 1.01 0.00 0.00 58.87 59.17 2iqx n SER 13 Cb 0.65 -3.72 0.58 0.00 -1.01 0.00 0.00 64.21 60.70 2iqx n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2iqx h LEU 14 N -1.88 0.00 -2.59 -3.43 3.38 -1.48 -2.51 115.31 106.80 2iqx h LEU 14 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2iqx h LEU 14 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2iqx h LEU 14 CO 0.60 0.00 0.03 0.06 0.09 0.00 0.00 178.44 179.22 2iqx h GLN 15 N 0.00 0.00 0.00 1.13 -0.00 -1.73 0.49 115.11 115.00 2iqx h GLN 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2iqx h GLN 15 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 2iqx h GLN 15 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 178.83 179.76 2iqx h GLU 16 N 0.00 0.00 0.00 0.06 5.08 -1.82 -3.30 114.58 114.60 2iqx h GLU 16 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2iqx h GLU 16 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2iqx h GLU 16 CO 0.00 0.00 -1.02 0.28 -1.00 0.00 0.00 179.01 177.27 2iqx n VAL 17 N -2.54 1.49 -3.53 3.13 0.31 0.17 -5.07 118.33 112.29 2iqx n VAL 17 Ca -0.00 0.12 -0.08 0.00 -0.01 0.00 0.00 64.34 64.37 2iqx n VAL 17 Cb 0.15 -2.33 -0.02 0.00 -0.91 0.00 0.00 33.84 30.72 2iqx n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2iqx s ASP 18 N -5.96 -0.34 0.67 4.52 2.15 -1.03 -4.14 116.67 112.55 2iqx s ASP 18 Ca -0.28 -0.03 -0.17 0.00 0.43 0.00 0.00 52.55 52.50 2iqx s ASP 18 Cb 0.04 0.38 -0.08 0.00 -0.30 0.00 0.00 42.92 42.97 2iqx s ASP 18 CO 0.41 -0.62 0.33 -0.62 -0.17 0.00 0.00 175.17 174.49 2iqx n GLU 19 N -0.26 0.28 -1.60 4.34 1.02 -1.26 -4.04 120.64 119.12 2iqx n GLU 19 Ca -0.08 0.12 -0.40 0.00 -0.02 0.00 0.00 57.16 56.78 2iqx n GLU 19 Cb 0.62 -1.61 0.02 0.00 -0.02 0.00 0.00 31.44 30.45 2iqx n GLU 19 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2iqx n PRO 20 N 0.01 1.18 -2.17 3.49 -0.02 -1.26 -4.48 135.00 131.75 2iqx n PRO 20 Ca 0.09 0.43 -0.28 0.00 -2.02 0.00 0.00 63.50 61.72 2iqx n PRO 20 Cb 0.49 -2.04 0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2iqx n PRO 20 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2iqx s PRO 21 N -2.18 3.03 0.22 0.52 0.04 -1.26 -4.39 135.00 130.97 2iqx s PRO 21 Ca 0.66 0.27 0.04 0.00 0.04 0.00 0.00 61.00 62.01 2iqx s PRO 21 Cb -0.51 -2.17 0.18 0.00 0.04 0.00 0.00 34.50 32.04 2iqx s PRO 21 CO 0.54 -0.77 1.51 1.96 0.04 0.00 0.00 177.00 180.29 2iqx h GLN 22 N -0.33 0.23 -4.66 4.56 4.20 -1.29 -3.47 115.11 114.35 2iqx h GLN 22 Ca -0.45 -0.18 -0.24 0.00 0.06 0.00 0.00 58.65 57.84 2iqx h GLN 22 Cb 1.24 0.03 -0.16 0.00 0.30 0.00 0.00 27.48 28.89 2iqx h GLN 22 CO 0.62 0.82 -0.71 -1.01 -0.67 0.00 0.00 178.83 177.88 2iqx s HIS 23 N -3.62 0.86 0.17 2.96 3.76 -0.19 -4.99 115.29 114.25 2iqx s HIS 23 Ca -0.04 -0.81 -0.30 0.00 -0.15 0.00 0.00 55.06 53.76 2iqx s HIS 23 Cb 0.11 -0.50 -0.08 0.00 1.11 0.00 0.00 32.58 33.22 2iqx s HIS 23 CO 0.81 -0.12 1.29 0.00 -0.85 0.00 0.00 174.74 175.86 2iqx s ALA 24 N -3.08 3.51 -0.36 -1.40 0.00 -1.26 -2.61 121.76 116.56 2iqx s ALA 24 Ca 0.07 1.06 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 2iqx s ALA 24 Cb 0.02 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 2iqx s ALA 24 CO -0.03 -0.51 0.30 -1.17 0.00 0.00 0.00 175.76 174.35 2iqx s LEU 25 N 0.14 4.66 -0.08 0.00 2.96 -0.73 -4.43 118.68 121.19 2iqx s LEU 25 Ca 0.57 -0.50 -0.24 0.00 -0.22 0.00 0.00 54.13 53.74 2iqx s LEU 25 Cb -0.35 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 2iqx s LEU 25 CO 0.36 -0.34 0.74 -0.60 -1.32 0.00 0.00 176.35 175.19 2iqx s ARG 26 N 1.82 4.41 -0.16 1.98 3.52 0.04 -4.58 118.95 125.99 2iqx s ARG 26 Ca 0.08 0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 56.60 2iqx s ARG 26 Cb -0.17 -3.47 0.04 0.00 -1.56 0.00 0.00 34.95 29.78 2iqx s ARG 26 CO 0.11 -0.02 -0.05 0.08 -0.81 0.00 0.00 175.30 174.61 2iqx s VAL 27 N 1.08 1.06 -0.40 7.11 1.01 -1.23 -1.10 120.40 127.93 2iqx s VAL 27 Ca 0.38 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 2iqx s VAL 27 Cb -0.18 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.00 2iqx s VAL 27 CO 0.18 0.15 0.28 -1.81 0.00 0.00 0.00 175.10 173.90 2iqx s ASP 28 N 1.66 6.06 0.82 3.32 1.01 0.68 -0.92 116.67 129.30 2iqx s ASP 28 Ca 0.01 -0.89 -0.12 0.00 0.71 0.00 0.00 52.55 52.27 2iqx s ASP 28 Cb -0.15 -2.14 0.10 0.00 1.01 0.00 0.00 42.92 41.74 2iqx s ASP 28 CO -0.08 -0.43 1.19 -0.31 0.21 0.00 0.00 175.17 175.75 2iqx s TYR 29 N 1.67 2.72 0.32 4.23 2.02 0.64 -0.05 117.35 128.88 2iqx s TYR 29 Ca 0.05 0.64 0.09 0.00 -0.37 0.00 0.00 57.07 57.47 2iqx s TYR 29 Cb -0.19 -3.57 0.84 0.00 -0.40 0.00 0.00 41.96 38.64 2iqx s TYR 29 CO 0.10 -1.89 1.75 0.78 -1.57 0.00 0.00 175.55 174.72 2iqx h GLY 30 N -1.11 1.84 -3.80 0.71 0.00 -1.83 -3.14 103.07 95.75 2iqx h GLY 30 Ca -0.45 -0.33 -0.23 0.00 0.00 0.00 0.00 47.33 46.32 2iqx h GLY 30 CO 0.61 -0.17 -0.98 0.61 0.00 0.00 0.00 176.54 176.61 2iqx n GLY 31 N -1.32 2.47 3.64 4.60 0.00 -1.26 -5.06 105.19 108.25 2iqx n GLY 31 Ca 0.26 -1.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.04 2iqx n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iqx s VAL 32 N -2.44 0.00 -0.10 1.61 0.11 -1.19 -5.10 120.40 113.29 2iqx s VAL 32 Ca 0.34 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.42 2iqx s VAL 32 Cb 0.36 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2iqx s VAL 32 CO -0.08 0.00 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.58 2iqx s THR 33 N -1.37 1.91 -0.79 5.04 2.01 -1.26 -0.26 115.64 120.91 2iqx s THR 33 Ca 0.10 -0.92 -0.25 0.00 0.31 0.00 0.00 61.69 60.93 2iqx s THR 33 Cb -0.01 -1.67 0.05 0.00 0.01 0.00 0.00 72.50 70.88 2iqx s THR 33 CO -0.06 0.52 1.24 -0.69 -0.69 0.00 0.00 174.62 174.94 2iqx s VAL 34 N 0.51 3.95 -0.09 3.82 1.01 -0.10 -4.73 120.40 124.77 2iqx s VAL 34 Ca -0.15 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2iqx s VAL 34 Cb -0.17 -4.89 0.02 0.00 0.00 0.00 0.00 36.38 31.34 2iqx s VAL 34 CO 0.06 -1.77 0.90 -0.90 0.00 0.00 0.00 175.10 173.39 2iqx n ASP 35 N 8.76 1.84 -3.95 3.32 5.75 -1.26 -3.48 116.55 127.54 2iqx n ASP 35 Ca 0.09 -1.77 -0.17 0.00 -0.01 0.00 0.00 54.79 52.93 2iqx n ASP 35 Cb 0.49 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.41 2iqx n ASP 35 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2iqx s GLU 36 N -0.78 0.53 -0.15 0.11 -1.05 -1.26 -2.77 118.70 113.33 2iqx s GLU 36 Ca 0.02 -0.17 -0.29 0.00 -0.15 0.00 0.00 54.97 54.38 2iqx s GLU 36 Cb 0.01 -0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 33.12 2iqx s GLU 36 CO 0.01 0.07 1.92 -1.17 0.95 0.00 0.00 175.26 177.04 2iqx s LEU 37 N 0.13 3.90 0.00 1.83 2.96 -1.26 -2.07 118.68 124.17 2iqx s LEU 37 Ca -0.01 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 2iqx s LEU 37 Cb -0.05 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2iqx s LEU 37 CO -0.00 -1.43 0.00 0.61 -1.32 0.00 0.00 176.35 174.21 2iqx n GLY 38 N 4.99 0.73 3.67 7.98 0.00 0.23 -4.96 105.19 117.83 2iqx n GLY 38 Ca 0.23 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 2iqx n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2iqx n LYS 39 N -2.49 1.92 -3.12 1.61 4.81 -0.88 -3.85 118.16 116.16 2iqx n LYS 39 Ca 0.00 0.68 -0.41 0.00 -0.87 0.00 0.00 58.31 57.71 2iqx n LYS 39 Cb 0.00 -2.24 -0.07 0.00 0.02 0.00 0.00 35.03 32.75 2iqx n LYS 39 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2iqx s VAL 40 N -0.75 4.99 0.34 3.15 1.01 -1.26 0.59 120.40 128.47 2iqx s VAL 40 Ca 0.60 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.76 2iqx s VAL 40 Cb -0.63 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 31.76 2iqx s VAL 40 CO 0.58 0.02 -0.09 -0.76 0.00 0.00 0.00 175.10 174.84 2iqx s LEU 41 N 2.49 2.72 0.17 3.92 1.43 0.96 -4.93 118.68 125.44 2iqx s LEU 41 Ca 0.25 -1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 52.11 2iqx s LEU 41 Cb -0.15 -0.99 -0.06 0.00 0.03 0.00 0.00 46.19 45.02 2iqx s LEU 41 CO 0.09 -0.21 0.41 0.42 0.23 0.00 0.00 176.35 177.29 2iqx s THR 42 N -2.62 5.13 0.44 5.49 -4.23 -1.26 -4.22 115.64 114.38 2iqx s THR 42 Ca 0.32 0.04 0.23 0.00 -1.18 0.00 0.00 61.69 61.10 2iqx s THR 42 Cb 0.02 -3.64 0.43 0.00 1.34 0.00 0.00 72.50 70.65 2iqx s THR 42 CO 0.16 -0.03 1.81 -0.65 -0.54 0.00 0.00 174.62 175.37 2iqx h PRO 43 N 2.60 0.27 -0.61 3.99 0.11 -1.85 -2.16 132.00 134.36 2iqx h PRO 43 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2iqx h PRO 43 Cb 1.17 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2iqx h PRO 43 CO 0.71 0.18 0.35 1.15 -0.21 0.00 0.00 178.00 180.18 2iqx h THR 44 N 0.28 1.19 0.00 -1.15 2.02 -1.93 -2.28 112.91 111.04 2iqx h THR 44 Ca 0.54 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2iqx h THR 44 Cb 1.59 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2iqx h THR 44 CO -0.19 0.20 -0.02 1.56 0.37 0.00 0.00 175.52 177.44 2iqx h GLN 45 N 0.83 0.00 -0.07 6.66 4.20 -1.78 -3.08 115.11 121.87 2iqx h GLN 45 Ca 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 2iqx h GLN 45 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2iqx h GLN 45 CO -0.04 0.02 -0.18 1.33 -0.67 0.00 0.00 178.83 179.29 2iqx n VAL 46 N -4.32 2.13 0.09 -0.54 0.24 -1.00 -4.55 118.33 110.38 2iqx n VAL 46 Ca -0.03 -2.63 0.02 0.00 -2.04 0.00 0.00 64.34 59.66 2iqx n VAL 46 Cb 0.11 -0.25 0.37 0.00 -1.47 0.00 0.00 33.84 32.60 2iqx n VAL 46 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 2iqx h MET 47 N 0.66 0.31 -6.06 7.34 2.86 -1.33 -3.38 114.93 115.34 2iqx h MET 47 Ca 0.03 -0.07 -0.58 0.00 -2.06 0.00 0.00 59.70 57.02 2iqx h MET 47 Cb 1.13 -0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.64 2iqx h MET 47 CO 0.07 0.41 -0.62 -0.80 1.06 0.00 0.00 176.91 177.03 2iqx s ASN 48 N -6.85 4.21 0.34 1.22 -0.87 -1.26 -4.17 114.94 107.57 2iqx s ASN 48 Ca -0.06 -0.94 -0.26 0.00 -1.57 0.00 0.00 52.86 50.03 2iqx s ASN 48 Cb 0.15 -0.56 -0.13 0.00 -0.02 0.00 0.00 41.25 40.69 2iqx s ASN 48 CO 0.74 -0.20 0.83 -1.14 -2.57 0.00 0.00 177.10 174.76 2iqx n ARG 49 N -0.94 0.99 -1.87 -0.60 0.63 -1.26 -4.87 116.66 108.74 2iqx n ARG 49 Ca -0.04 0.35 -0.38 0.00 -0.92 0.00 0.00 57.85 56.86 2iqx n ARG 49 Cb 0.62 -1.70 0.04 0.00 0.45 0.00 0.00 32.46 31.87 2iqx n ARG 49 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2iqx s PRO 50 N -1.59 3.10 0.10 -0.14 0.04 -1.26 -4.65 135.00 130.59 2iqx s PRO 50 Ca 0.61 2.09 0.27 0.00 0.04 0.00 0.00 61.00 64.01 2iqx s PRO 50 Cb -0.67 -2.16 1.02 0.00 0.04 0.00 0.00 34.50 32.73 2iqx s PRO 50 CO 0.58 -1.18 1.83 -1.13 0.04 0.00 0.00 177.00 177.15 2iqx n SER 51 N -1.18 0.35 -3.61 6.66 3.41 0.92 -4.88 113.62 115.30 2iqx n SER 51 Ca 0.11 0.54 -0.07 0.00 -0.26 0.00 0.00 58.87 59.19 2iqx n SER 51 Cb 0.47 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 2iqx n SER 51 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2iqx s SER 52 N -3.66 -0.24 0.01 4.04 0.15 -1.06 -5.02 113.70 107.92 2iqx s SER 52 Ca 0.12 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2iqx s SER 52 Cb 0.15 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 2iqx s SER 52 CO 0.53 -0.20 -0.03 0.27 1.20 0.00 0.00 173.24 175.02 2iqx s ILE 53 N -0.92 0.13 -0.00 6.45 -4.36 -1.26 -0.23 121.20 121.01 2iqx s ILE 53 Ca 0.03 -0.53 -0.24 0.00 -0.26 0.00 0.00 60.65 59.64 2iqx s ILE 53 Cb -0.01 -0.21 0.05 0.00 1.25 0.00 0.00 42.46 43.54 2iqx s ILE 53 CO -0.03 -0.25 0.55 -0.94 0.24 0.00 0.00 174.94 174.50 2iqx s SER 54 N -0.82 -0.49 0.08 4.36 1.04 -0.26 -4.86 113.70 112.76 2iqx s SER 54 Ca -0.08 0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.61 2iqx s SER 54 Cb -0.06 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2iqx s SER 54 CO -0.00 -0.63 0.26 -1.66 0.98 0.00 0.00 173.24 172.19 2iqx s TRP 55 N -1.77 0.00 0.24 5.02 -2.14 -1.26 -0.78 118.94 118.25 2iqx s TRP 55 Ca -0.09 -0.33 -0.30 0.00 2.66 0.00 0.00 56.10 58.04 2iqx s TRP 55 Cb -0.01 0.05 -0.10 0.00 -3.10 0.00 0.00 33.47 30.31 2iqx s TRP 55 CO 0.04 -0.56 1.41 -0.51 -2.66 0.00 0.00 176.95 174.66 2iqx s ASP 56 N -2.61 6.72 0.00 -2.66 1.01 -1.26 -2.71 116.67 115.16 2iqx s ASP 56 Ca 0.01 2.60 0.00 0.00 0.71 0.00 0.00 52.55 55.87 2iqx s ASP 56 Cb 0.02 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2iqx s ASP 56 CO -0.09 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 175.24 2iqx n GLY 57 N 2.24 1.21 3.61 0.21 0.00 -1.26 -4.92 105.19 106.28 2iqx n GLY 57 Ca 0.07 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.59 2iqx n GLY 57 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2iqx n LEU 58 N 0.00 1.97 -4.27 0.99 -0.00 -1.10 -4.94 117.00 109.65 2iqx n LEU 58 Ca 0.00 1.12 -0.37 0.00 -0.00 0.00 0.00 56.01 56.76 2iqx n LEU 58 Cb 0.00 -1.25 -0.13 0.00 -0.00 0.00 0.00 43.42 42.04 2iqx n LEU 58 CO 0.00 -0.92 -0.29 -0.62 -0.00 0.00 0.00 177.39 175.56 2iqx s ASP 59 N 0.48 5.12 0.57 1.45 3.68 -1.26 -4.99 116.67 121.71 2iqx s ASP 59 Ca 0.81 -1.02 0.28 0.00 2.13 0.00 0.00 52.55 54.74 2iqx s ASP 59 Cb -0.87 -1.83 1.50 0.00 -1.45 0.00 0.00 42.92 40.27 2iqx s ASP 59 CO 0.46 -0.26 1.98 1.55 0.13 0.00 0.00 175.17 179.03 2iqx h PRO 60 N 8.17 0.00 -0.03 4.34 0.13 -1.93 -0.79 132.00 141.89 2iqx h PRO 60 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2iqx h PRO 60 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2iqx h PRO 60 CO 0.59 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 2iqx n GLY 61 N -1.52 -0.33 3.84 1.56 0.00 -1.26 -3.99 105.19 103.49 2iqx n GLY 61 Ca 0.07 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 2iqx n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iqx s LYS 62 N -1.97 2.80 -0.10 1.61 1.02 -0.30 -4.99 119.74 117.81 2iqx s LYS 62 Ca 0.39 -1.20 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 2iqx s LYS 62 Cb 0.20 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 2iqx s LYS 62 CO 0.32 0.21 0.04 -0.51 -0.92 0.00 0.00 175.35 174.49 2iqx s LEU 63 N -3.94 3.79 0.06 3.17 1.43 -1.26 -1.29 118.68 120.63 2iqx s LEU 63 Ca 0.38 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 2iqx s LEU 63 Cb -0.07 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2iqx s LEU 63 CO 0.26 0.36 -0.11 -0.31 0.23 0.00 0.00 176.35 176.78 2iqx s TYR 64 N -0.78 0.97 -0.15 0.29 1.51 0.42 -0.48 117.35 119.13 2iqx s TYR 64 Ca 0.12 -0.47 -0.06 0.00 -1.01 0.00 0.00 57.07 55.65 2iqx s TYR 64 Cb -0.12 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 2iqx s TYR 64 CO 0.03 -0.00 0.06 0.99 -1.11 0.00 0.00 175.55 175.51 2iqx s THR 65 N -1.29 4.76 -0.06 -0.71 2.01 -0.53 -1.27 115.64 118.55 2iqx s THR 65 Ca -0.05 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 61.94 2iqx s THR 65 Cb -0.10 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 2iqx s THR 65 CO 0.01 0.52 -0.23 -0.22 -0.69 0.00 0.00 174.62 174.02 2iqx s LEU 66 N -0.11 2.02 -0.01 4.42 2.96 -0.33 -0.26 118.68 127.38 2iqx s LEU 66 Ca 0.07 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2iqx s LEU 66 Cb -0.12 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.31 2iqx s LEU 66 CO 0.01 0.20 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.53 2iqx s VAL 67 N -0.00 0.19 -0.11 1.68 1.01 -0.10 -1.31 120.40 121.76 2iqx s VAL 67 Ca -0.07 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2iqx s VAL 67 Cb -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2iqx s VAL 67 CO 0.04 0.07 -0.22 -0.22 0.00 0.00 0.00 175.10 174.78 2iqx s LEU 68 N 0.10 2.01 0.02 3.92 2.96 -0.50 -0.91 118.68 126.29 2iqx s LEU 68 Ca -0.01 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 2iqx s LEU 68 Cb -0.03 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 2iqx s LEU 68 CO -0.00 0.12 0.02 0.28 -1.32 0.00 0.00 176.35 175.44 2iqx s THR 69 N 0.54 0.12 -0.27 3.68 -1.32 -0.93 -0.79 115.64 116.66 2iqx s THR 69 Ca -0.15 -1.00 0.02 0.00 -1.21 0.00 0.00 61.69 59.35 2iqx s THR 69 Cb -0.17 -0.53 0.07 0.00 -1.51 0.00 0.00 72.50 70.37 2iqx s THR 69 CO 0.05 -0.55 -0.03 -0.62 -2.21 0.00 0.00 174.62 171.26 2iqx s ASP 70 N -1.71 4.25 0.00 8.08 2.15 -0.72 -0.79 116.67 127.92 2iqx s ASP 70 Ca -0.12 -1.52 0.26 0.00 0.43 0.00 0.00 52.55 51.60 2iqx s ASP 70 Cb -0.06 -1.35 1.14 0.00 -0.30 0.00 0.00 42.92 42.35 2iqx s ASP 70 CO -0.02 -0.28 1.83 -0.81 -0.17 0.00 0.00 175.17 175.72 2iqx n PRO 71 N 4.52 0.09 -1.84 4.34 -0.04 -1.26 -0.43 135.00 140.38 2iqx n PRO 71 Ca -0.08 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.11 2iqx n PRO 71 Cb 0.43 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2iqx n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2iqx n ASP 72 N -1.45 6.60 -4.57 3.54 8.00 -1.26 -4.46 116.55 122.94 2iqx n ASP 72 Ca 0.08 -3.78 -0.39 0.00 0.71 0.00 0.00 54.79 51.40 2iqx n ASP 72 Cb 0.28 -0.79 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 2iqx n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iqx s ALA 73 N -3.81 3.52 -2.16 2.24 0.00 -1.26 -1.00 121.76 119.29 2iqx s ALA 73 Ca 0.55 -1.19 0.27 0.00 0.00 0.00 0.00 51.96 51.60 2iqx s ALA 73 Cb 0.45 -2.54 0.94 0.00 0.00 0.00 0.00 23.12 21.97 2iqx s ALA 73 CO -0.15 -0.70 1.68 -0.35 0.00 0.00 0.00 175.76 176.24 2iqx n PRO 74 N 5.07 1.28 -3.69 0.00 -0.04 -1.26 -1.28 135.00 135.08 2iqx n PRO 74 Ca -0.14 -0.74 -0.11 0.00 -0.04 0.00 0.00 63.50 62.48 2iqx n PRO 74 Cb 0.51 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2iqx n PRO 74 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2iqx s SER 75 N -2.22 -0.16 0.15 3.54 1.04 -0.17 -4.48 113.70 111.39 2iqx s SER 75 Ca 0.32 -0.30 -0.13 0.00 0.48 0.00 0.00 55.95 56.32 2iqx s SER 75 Cb 0.20 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.78 2iqx s SER 75 CO 0.42 -0.77 1.66 -0.09 0.98 0.00 0.00 173.24 175.44 2iqx h ARG 76 N 2.66 0.82 -0.61 4.02 2.43 -1.79 -2.36 114.38 119.55 2iqx h ARG 76 Ca -0.33 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 2iqx h ARG 76 Cb 1.23 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 2iqx h ARG 76 CO 0.48 0.79 0.34 -0.22 -1.51 0.00 0.00 179.97 179.85 2iqx h LYS 77 N 0.71 0.85 -2.48 0.20 3.64 -1.93 -3.36 116.57 114.19 2iqx h LYS 77 Ca 0.16 -0.10 -0.59 0.00 -1.27 0.00 0.00 60.65 58.85 2iqx h LYS 77 Cb 0.34 -0.17 -0.40 0.00 -0.41 0.00 0.00 32.23 31.60 2iqx h LYS 77 CO 0.00 0.64 -0.82 -3.47 -2.27 0.00 0.00 179.45 173.53 2iqx n ASP 78 N -4.57 1.35 -3.55 4.20 2.03 -1.17 -5.05 116.55 109.78 2iqx n ASP 78 Ca 0.04 -2.85 -0.41 0.00 0.52 0.00 0.00 54.79 52.09 2iqx n ASP 78 Cb 0.08 -0.65 -0.01 0.00 -0.72 0.00 0.00 41.12 39.82 2iqx n ASP 78 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2iqx n PRO 79 N 1.98 3.49 -0.13 -0.67 -0.04 -0.90 -3.85 135.00 134.88 2iqx n PRO 79 Ca 0.25 -2.66 0.11 0.00 -0.04 0.00 0.00 63.50 61.16 2iqx n PRO 79 Cb 0.44 -2.98 0.46 0.00 -0.04 0.00 0.00 33.50 31.38 2iqx n PRO 79 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2iqx h LYS 80 N 5.42 0.49 -0.24 0.54 1.79 -1.78 -2.82 116.57 119.95 2iqx h LYS 80 Ca 0.68 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 59.07 2iqx h LYS 80 Cb 0.46 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 2iqx h LYS 80 CO 1.77 0.32 -0.04 1.19 -1.08 0.00 0.00 179.45 181.62 2iqx n PHE 81 N -4.48 0.82 -1.68 -1.35 0.99 -0.41 -4.91 117.46 106.45 2iqx n PHE 81 Ca 0.11 -1.14 -0.52 0.00 -0.00 0.00 0.00 57.45 55.90 2iqx n PHE 81 Cb 0.37 -0.34 -0.06 0.00 -1.00 0.00 0.00 39.48 38.45 2iqx n PHE 81 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2iqx n ARG 82 N -0.87 1.64 -4.11 -1.08 0.63 -1.07 -1.53 116.66 110.28 2iqx n ARG 82 Ca 0.24 0.60 -0.24 0.00 -0.92 0.00 0.00 57.85 57.53 2iqx n ARG 82 Cb 0.90 -2.34 -0.05 0.00 0.45 0.00 0.00 32.46 31.41 2iqx n ARG 82 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2iqx s GLU 83 N 2.97 2.86 -0.47 -0.14 2.02 -0.06 -3.90 118.70 121.97 2iqx s GLU 83 Ca 0.92 -0.98 -0.14 0.00 0.02 0.00 0.00 54.97 54.79 2iqx s GLU 83 Cb -0.87 -2.58 0.09 0.00 0.10 0.00 0.00 34.13 30.87 2iqx s GLU 83 CO 0.55 0.44 0.38 -0.46 0.02 0.00 0.00 175.26 176.19 2iqx s TRP 84 N -1.93 3.28 0.02 1.61 -0.00 0.42 -0.54 118.94 121.81 2iqx s TRP 84 Ca 0.31 -1.20 -0.25 0.00 -0.00 0.00 0.00 56.10 54.97 2iqx s TRP 84 Cb -0.09 -3.24 -0.05 0.00 -0.00 0.00 0.00 33.47 30.09 2iqx s TRP 84 CO 0.24 -0.86 0.76 -3.38 -0.00 0.00 0.00 176.95 173.71 2iqx s HIS 85 N 1.56 3.71 -0.15 5.86 -3.43 -0.43 -1.76 115.29 120.65 2iqx s HIS 85 Ca 0.04 1.44 0.15 0.00 -0.80 0.00 0.00 55.06 55.90 2iqx s HIS 85 Cb -0.25 -2.83 -0.24 0.00 -1.43 0.00 0.00 32.58 27.83 2iqx s HIS 85 CO 0.04 0.23 0.27 0.72 -2.00 0.00 0.00 174.74 174.01 2iqx n HIS 86 N 3.01 0.36 -3.70 0.38 8.25 0.03 -4.87 115.22 118.68 2iqx n HIS 86 Ca -0.02 0.13 -0.13 0.00 -0.26 0.00 0.00 57.72 57.44 2iqx n HIS 86 Cb 0.50 -1.07 -0.09 0.00 1.12 0.00 0.00 29.99 30.46 2iqx n HIS 86 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2iqx s PHE 87 N -2.53 -0.52 -0.24 4.41 5.36 -1.06 -0.94 117.98 122.47 2iqx s PHE 87 Ca -0.09 1.26 -0.08 0.00 -0.96 0.00 0.00 56.93 57.06 2iqx s PHE 87 Cb 0.07 0.19 0.11 0.00 -0.34 0.00 0.00 43.02 43.04 2iqx s PHE 87 CO 0.82 -0.27 0.50 -1.17 -1.46 0.00 0.00 175.22 173.64 2iqx s LEU 88 N 0.15 -0.83 0.00 6.12 2.96 -1.00 -1.41 118.68 124.67 2iqx s LEU 88 Ca -0.01 1.20 0.03 0.00 -0.22 0.00 0.00 54.13 55.13 2iqx s LEU 88 Cb -0.03 1.71 -0.01 0.00 0.50 0.00 0.00 46.19 48.35 2iqx s LEU 88 CO 0.01 -0.23 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.03 2iqx s VAL 89 N 2.72 0.69 0.18 1.68 1.01 -0.43 -0.56 120.40 125.69 2iqx s VAL 89 Ca -0.03 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.52 2iqx s VAL 89 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2iqx s VAL 89 CO -0.15 0.11 -0.15 0.68 0.00 0.00 0.00 175.10 175.59 2iqx s VAL 90 N -0.39 1.64 -1.50 2.92 -7.23 -0.08 -1.18 120.40 114.58 2iqx s VAL 90 Ca 0.02 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.07 2iqx s VAL 90 Cb -0.04 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 35.01 2iqx s VAL 90 CO -0.00 -0.52 0.81 0.59 -0.31 0.00 0.00 175.10 175.67 2iqx n ASN 91 N -0.07 -6.20 -4.67 4.85 3.02 -1.20 -0.17 115.26 110.81 2iqx n ASN 91 Ca -0.10 -0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 53.64 2iqx n ASN 91 Cb 0.59 -4.96 -0.02 0.00 -0.61 0.00 0.00 39.78 34.78 2iqx n ASN 91 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2iqx s MET 92 N -5.93 4.33 -0.48 3.52 -2.45 -0.39 -4.14 119.30 113.75 2iqx s MET 92 Ca 0.41 1.33 -0.28 0.00 -1.25 0.00 0.00 55.69 55.90 2iqx s MET 92 Cb -0.18 -3.59 0.02 0.00 1.25 0.00 0.00 34.83 32.32 2iqx s MET 92 CO 0.50 -0.47 1.36 0.15 1.05 0.00 0.00 175.02 177.61 2iqx s LYS 93 N 2.61 3.50 6.44 4.11 1.02 -1.26 -0.44 119.74 135.73 2iqx s LYS 93 Ca 0.45 0.67 0.00 0.00 0.02 0.00 0.00 55.97 57.11 2iqx s LYS 93 Cb -0.16 -4.04 0.00 0.00 -0.52 0.00 0.00 37.83 33.11 2iqx s LYS 93 CO 0.11 -1.67 0.00 0.41 -0.92 0.00 0.00 175.35 173.28 2iqx n GLY 94 N 5.11 2.18 1.54 -3.33 0.00 -0.41 -2.53 105.19 107.74 2iqx n GLY 94 Ca 0.14 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.81 2iqx n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2iqx n ASN 95 N 4.39 4.86 -4.45 1.61 6.94 -1.26 -4.62 115.26 122.73 2iqx n ASN 95 Ca 0.00 -2.65 -0.44 0.00 -0.02 0.00 0.00 54.58 51.47 2iqx n ASN 95 Cb 0.00 -0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 36.80 2iqx n ASN 95 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2iqx s ASP 96 N -1.02 6.59 0.18 0.53 2.15 -1.05 -4.63 116.67 119.42 2iqx s ASP 96 Ca 0.50 -1.97 -0.20 0.00 0.43 0.00 0.00 52.55 51.31 2iqx s ASP 96 Cb 0.35 -2.40 0.12 0.00 -0.30 0.00 0.00 42.92 40.68 2iqx s ASP 96 CO 0.19 -1.09 1.60 0.40 -0.17 0.00 0.00 175.17 176.11 2iqx h ILE 97 N 5.85 0.26 0.00 4.11 2.04 -1.89 -1.61 117.51 126.27 2iqx h ILE 97 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 2iqx h ILE 97 Cb 1.03 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2iqx h ILE 97 CO 1.11 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 177.72 2iqx n SER 98 N -5.42 0.15 0.04 1.72 3.41 -1.26 -2.04 113.62 110.22 2iqx n SER 98 Ca 0.03 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 2iqx n SER 98 Cb 0.33 -0.58 0.46 0.00 -0.26 0.00 0.00 64.21 64.17 2iqx n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2iqx n SER 99 N -1.69 0.41 -4.98 4.04 3.41 -0.60 -4.93 113.62 109.28 2iqx n SER 99 Ca 0.01 0.42 -0.20 0.00 -0.26 0.00 0.00 58.87 58.84 2iqx n SER 99 Cb 0.06 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 63.56 2iqx n SER 99 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2iqx s GLY 100 N -3.27 1.87 -0.27 5.00 0.00 -0.86 -4.52 107.32 105.26 2iqx s GLY 100 Ca 0.12 -1.45 -0.25 0.00 0.00 0.00 0.00 44.72 43.14 2iqx s GLY 100 CO 0.59 -1.19 0.86 -1.59 0.00 0.00 0.00 173.10 171.76 2iqx s THR 101 N -2.64 4.77 -0.39 0.90 2.01 0.75 -4.86 115.64 116.18 2iqx s THR 101 Ca 0.57 1.48 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 2iqx s THR 101 Cb -0.10 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2iqx s THR 101 CO 0.37 -0.19 1.26 -0.69 -0.69 0.00 0.00 174.62 174.68 2iqx s VAL 102 N 3.00 4.13 -0.01 3.82 1.01 -1.26 -0.91 120.40 130.18 2iqx s VAL 102 Ca 0.36 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.57 2iqx s VAL 102 Cb -0.14 -4.34 -0.25 0.00 0.00 0.00 0.00 36.38 31.64 2iqx s VAL 102 CO 0.10 -0.73 0.78 -0.07 0.00 0.00 0.00 175.10 175.17 2iqx h LEU 103 N 11.32 0.22 -7.18 3.92 3.38 -1.20 -3.44 115.31 122.34 2iqx h LEU 103 Ca -0.25 -0.36 -0.54 0.00 0.09 0.00 0.00 57.88 56.81 2iqx h LEU 103 Cb 1.08 -0.07 -0.40 0.00 0.09 0.00 0.00 40.66 41.36 2iqx h LEU 103 CO 1.08 1.31 -0.76 -0.44 0.09 0.00 0.00 178.44 179.72 2iqx s SER 104 N -6.67 3.39 0.28 -0.43 0.01 -0.83 -0.64 113.70 108.81 2iqx s SER 104 Ca -0.08 -1.16 -0.27 0.00 1.31 0.00 0.00 55.95 55.74 2iqx s SER 104 Cb 0.08 -0.67 -0.14 0.00 0.21 0.00 0.00 66.02 65.49 2iqx s SER 104 CO 0.83 -0.36 0.85 -0.62 0.41 0.00 0.00 173.24 174.35 2iqx n GLU 105 N 5.00 0.95 -1.70 12.44 1.02 -0.27 -2.38 120.64 135.70 2iqx n GLU 105 Ca -0.06 0.34 -0.43 0.00 -0.02 0.00 0.00 57.16 56.98 2iqx n GLU 105 Cb 0.45 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 2iqx n GLU 105 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2iqx n TYR 106 N 0.04 2.64 -4.32 -0.32 9.36 -1.25 -4.57 117.16 118.73 2iqx n TYR 106 Ca 0.12 -0.00 -0.25 0.00 3.32 0.00 0.00 57.90 61.09 2iqx n TYR 106 Cb 0.31 -2.68 -0.17 0.00 -0.63 0.00 0.00 39.34 36.18 2iqx n TYR 106 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2iqx s VAL 107 N 1.78 1.03 1.16 2.97 1.01 -0.11 -4.81 120.40 123.43 2iqx s VAL 107 Ca 0.79 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 2iqx s VAL 107 Cb -0.52 -0.99 0.28 0.00 0.00 0.00 0.00 36.38 35.15 2iqx s VAL 107 CO 0.35 0.34 1.19 0.61 0.00 0.00 0.00 175.10 177.59 2iqx n GLY 108 N 4.20 -2.36 3.67 4.51 0.00 -1.26 -4.72 105.19 109.24 2iqx n GLY 108 Ca -0.20 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 2iqx n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iqx s SER 109 N -4.96 6.48 -0.42 1.61 0.01 -1.26 -4.94 113.70 110.22 2iqx s SER 109 Ca 0.73 2.63 0.10 0.00 1.31 0.00 0.00 55.95 60.73 2iqx s SER 109 Cb -0.05 -2.55 0.41 0.00 0.21 0.00 0.00 66.02 64.04 2iqx s SER 109 CO 0.55 -1.00 0.99 0.61 0.41 0.00 0.00 173.24 174.79 2iqx n GLY 110 N 4.32 4.28 3.75 3.44 0.00 -1.26 -4.72 105.19 115.01 2iqx n GLY 110 Ca 0.18 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 2iqx n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iqx s PRO 111 N -3.26 4.32 0.76 1.61 0.04 -1.26 -4.95 135.00 132.26 2iqx s PRO 111 Ca 0.41 2.24 -0.15 0.00 0.04 0.00 0.00 61.00 63.54 2iqx s PRO 111 Cb 0.39 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.88 2iqx s PRO 111 CO -0.10 -0.31 1.23 -2.14 0.04 0.00 0.00 177.00 175.73 2iqx s PRO 112 N -0.93 1.92 0.28 0.56 0.02 -1.26 -4.07 135.00 131.52 2iqx s PRO 112 Ca 0.55 1.85 -0.29 0.00 0.02 0.00 0.00 61.00 63.12 2iqx s PRO 112 Cb -0.40 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.22 2iqx s PRO 112 CO 0.47 -2.03 1.37 0.21 -0.33 0.00 0.00 177.00 176.69 2iqx s LYS 113 N -3.90 4.32 -1.28 5.54 2.20 -1.26 -2.92 119.74 122.44 2iqx s LYS 113 Ca 0.76 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 58.61 2iqx s LYS 113 Cb -0.31 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 2iqx s LYS 113 CO 0.47 -0.30 0.00 -0.25 -0.36 0.00 0.00 175.35 174.91 2iqx n ASP 114 N 1.69 -4.42 -0.91 1.43 8.00 -1.26 -4.91 116.55 116.17 2iqx n ASP 114 Ca 0.04 0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.73 2iqx n ASP 114 Cb 0.41 -3.47 0.10 0.00 -0.02 0.00 0.00 41.12 38.14 2iqx n ASP 114 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2iqx n THR 115 N -3.65 0.03 -2.36 -3.53 -2.24 -1.15 -5.09 114.28 96.29 2iqx n THR 115 Ca -0.16 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2iqx n THR 115 Cb 0.59 1.44 0.00 0.00 -2.10 0.00 0.00 70.33 70.25 2iqx n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iqx n GLY 116 N 1.26 -1.60 3.73 3.38 0.00 -1.26 -4.51 105.19 106.19 2iqx n GLY 116 Ca 0.13 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 2iqx n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iqx s LEU 117 N 0.00 4.29 0.12 0.99 1.43 -1.26 -4.28 118.68 119.96 2iqx s LEU 117 Ca 0.00 0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 53.80 2iqx s LEU 117 Cb 0.00 -2.63 -0.06 0.00 0.03 0.00 0.00 46.19 43.53 2iqx s LEU 117 CO 0.00 0.04 0.39 -1.00 0.23 0.00 0.00 176.35 176.01 2iqx s HIS 118 N 0.46 3.51 -0.01 0.29 3.76 0.03 -4.65 115.29 118.69 2iqx s HIS 118 Ca 0.24 0.65 -0.23 0.00 -0.15 0.00 0.00 55.06 55.57 2iqx s HIS 118 Cb -0.15 -2.07 -0.05 0.00 1.11 0.00 0.00 32.58 31.43 2iqx s HIS 118 CO 0.09 0.46 0.67 1.03 -0.85 0.00 0.00 174.74 176.14 2iqx s ARG 119 N -2.39 4.40 -0.27 1.40 0.52 -1.26 -1.87 118.95 119.48 2iqx s ARG 119 Ca 0.38 0.87 0.03 0.00 -0.52 0.00 0.00 55.73 56.49 2iqx s ARG 119 Cb -0.13 -3.38 0.07 0.00 0.52 0.00 0.00 34.95 32.03 2iqx s ARG 119 CO 0.22 0.26 -0.08 0.71 0.02 0.00 0.00 175.30 176.42 2iqx s TYR 120 N 0.13 3.34 -0.31 -0.53 2.02 0.58 -4.11 117.35 118.47 2iqx s TYR 120 Ca 0.35 -2.43 -0.10 0.00 -0.37 0.00 0.00 57.07 54.52 2iqx s TYR 120 Cb -0.19 -2.08 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 2iqx s TYR 120 CO 0.19 -0.89 0.17 0.08 -1.57 0.00 0.00 175.55 173.53 2iqx s VAL 121 N 1.07 4.80 -0.14 0.71 1.01 0.03 -1.68 120.40 126.21 2iqx s VAL 121 Ca -0.06 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 2iqx s VAL 121 Cb -0.20 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2iqx s VAL 121 CO -0.05 0.10 0.54 0.26 0.00 0.00 0.00 175.10 175.95 2iqx s TRP 122 N 1.65 3.47 -0.01 5.22 0.52 0.23 -2.18 118.94 127.85 2iqx s TRP 122 Ca 0.05 0.93 0.02 0.00 0.02 0.00 0.00 56.10 57.12 2iqx s TRP 122 Cb -0.17 -2.65 -0.00 0.00 -1.15 0.00 0.00 33.47 29.49 2iqx s TRP 122 CO 0.07 0.05 -0.07 -0.51 0.02 0.00 0.00 176.95 176.51 2iqx s LEU 123 N 1.07 1.99 -0.06 2.99 1.43 -0.09 -0.71 118.68 125.29 2iqx s LEU 123 Ca 0.28 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 2iqx s LEU 123 Cb -0.16 -0.37 -0.00 0.00 0.03 0.00 0.00 46.19 45.70 2iqx s LEU 123 CO 0.11 0.08 -0.19 -0.69 0.23 0.00 0.00 176.35 175.89 2iqx s VAL 124 N -0.13 1.63 -0.03 -1.59 1.01 0.11 -0.92 120.40 120.48 2iqx s VAL 124 Ca 0.02 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.27 2iqx s VAL 124 Cb -0.03 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2iqx s VAL 124 CO -0.00 0.46 -0.25 -0.31 0.00 0.00 0.00 175.10 175.00 2iqx s TYR 125 N 0.18 2.28 0.02 5.22 1.51 0.64 -1.38 117.35 125.82 2iqx s TYR 125 Ca -0.09 -0.53 -0.28 0.00 -1.01 0.00 0.00 57.07 55.17 2iqx s TYR 125 Cb -0.14 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 2iqx s TYR 125 CO 0.04 -0.10 0.88 -2.00 -1.11 0.00 0.00 175.55 173.26 2iqx s GLU 126 N -0.42 4.55 0.16 -0.62 2.12 -1.26 -1.45 118.70 121.78 2iqx s GLU 126 Ca 0.05 1.26 0.02 0.00 0.36 0.00 0.00 54.97 56.66 2iqx s GLU 126 Cb -0.11 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2iqx s GLU 126 CO 0.01 0.09 0.30 -0.65 -0.54 0.00 0.00 175.26 174.46 2iqx s GLN 127 N 0.57 3.45 -0.02 4.30 -0.21 0.36 -4.67 119.66 123.44 2iqx s GLN 127 Ca 0.46 -0.59 0.22 0.00 0.02 0.00 0.00 55.36 55.47 2iqx s GLN 127 Cb -0.21 -2.95 -0.29 0.00 1.00 0.00 0.00 33.01 30.56 2iqx s GLN 127 CO 0.25 0.50 0.50 0.39 -2.12 0.00 0.00 175.29 174.82 2iqx n GLU 128 N -0.63 0.66 -3.77 2.91 -0.58 -1.26 -4.50 120.64 113.46 2iqx n GLU 128 Ca -0.07 -0.14 -0.08 0.00 -0.42 0.00 0.00 57.16 56.45 2iqx n GLU 128 Cb 0.54 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 29.84 2iqx n GLU 128 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2iqx s GLN 129 N -3.40 1.65 0.60 3.49 2.00 -1.26 -5.05 119.66 117.69 2iqx s GLN 129 Ca -0.07 -0.87 -0.20 0.00 -2.00 0.00 0.00 55.36 52.22 2iqx s GLN 129 Cb 0.13 0.59 -0.03 0.00 0.80 0.00 0.00 33.01 34.50 2iqx s GLN 129 CO 0.89 -0.75 1.31 -2.30 -0.50 0.00 0.00 175.29 173.94 2iqx n PRO 130 N -0.44 1.37 -3.68 1.67 -0.02 -1.26 -5.00 135.00 127.64 2iqx n PRO 130 Ca -0.06 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 2iqx n PRO 130 Cb 0.60 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 2iqx n PRO 130 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2iqx s LEU 131 N -3.87 4.36 -0.28 2.45 1.43 -1.26 -5.08 118.68 116.43 2iqx s LEU 131 Ca 0.78 0.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 2iqx s LEU 131 Cb -0.40 -2.81 0.07 0.00 0.03 0.00 0.00 46.19 43.08 2iqx s LEU 131 CO 0.44 0.22 -0.07 0.21 0.23 0.00 0.00 176.35 177.38 2iqx s ASN 132 N -1.74 4.50 0.03 2.29 3.84 -1.26 -4.93 114.94 117.67 2iqx s ASN 132 Ca 0.30 -1.57 0.04 0.00 0.21 0.00 0.00 52.86 51.84 2iqx s ASN 132 Cb -0.14 -1.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.98 2iqx s ASN 132 CO 0.17 -0.24 -0.07 0.00 -2.79 0.00 0.00 177.10 174.18 2iqx n ASP 134 N 1.28 1.98 -4.62 0.00 5.75 -1.26 -4.98 116.55 114.69 2iqx n ASP 134 Ca -0.14 -1.48 -0.41 0.00 -0.01 0.00 0.00 54.79 52.74 2iqx n ASP 134 Cb 0.52 0.44 0.01 0.00 -1.03 0.00 0.00 41.12 41.07 2iqx n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2iqx n GLU 135 N -0.04 1.38 -2.13 0.11 4.71 -1.26 -4.91 120.64 118.50 2iqx n GLU 135 Ca 0.10 0.50 -0.37 0.00 -0.01 0.00 0.00 57.16 57.37 2iqx n GLU 135 Cb 0.46 -2.09 0.01 0.00 -1.01 0.00 0.00 31.44 28.81 2iqx n GLU 135 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2iqx s PRO 136 N -2.09 3.50 -0.40 3.49 0.04 -1.26 -4.94 135.00 133.33 2iqx s PRO 136 Ca 0.64 1.86 -0.27 0.00 0.04 0.00 0.00 61.00 63.27 2iqx s PRO 136 Cb -0.54 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 31.74 2iqx s PRO 136 CO 0.56 -0.79 0.99 0.42 0.04 0.00 0.00 177.00 178.22 2iqx s ILE 137 N -1.52 4.47 -0.05 0.56 -1.09 -1.26 -4.75 121.20 117.56 2iqx s ILE 137 Ca 0.68 1.21 -0.04 0.00 -2.23 0.00 0.00 60.65 60.26 2iqx s ILE 137 Cb -0.31 -4.42 -0.04 0.00 -1.58 0.00 0.00 42.46 36.11 2iqx s ILE 137 CO 0.36 -0.68 0.15 -0.76 -1.23 0.00 0.00 174.94 172.78 2iqx s LEU 138 N 3.75 4.29 0.39 2.97 1.43 0.19 -5.00 118.68 126.71 2iqx s LEU 138 Ca 0.41 0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.92 2iqx s LEU 138 Cb -0.11 -2.33 -0.00 0.00 0.03 0.00 0.00 46.19 43.78 2iqx s LEU 138 CO 0.22 0.33 0.56 -0.94 0.23 0.00 0.00 176.35 176.75 2iqx s SER 139 N -1.52 5.83 -0.06 2.29 1.04 -1.26 -1.11 113.70 118.91 2iqx s SER 139 Ca 0.21 -0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.63 2iqx s SER 139 Cb -0.12 -1.20 0.31 0.00 0.10 0.00 0.00 66.02 65.10 2iqx s SER 139 CO 0.12 -0.61 1.08 -0.46 0.98 0.00 0.00 173.24 174.35 2iqx n ASN 140 N -1.84 2.47 -0.42 7.02 0.23 -1.26 -3.72 115.26 117.73 2iqx n ASN 140 Ca 0.02 -2.25 0.07 0.00 -0.53 0.00 0.00 54.58 51.89 2iqx n ASN 140 Cb 0.58 -0.45 0.18 0.00 -2.08 0.00 0.00 39.78 38.01 2iqx n ASN 140 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2iqx n LYS 141 N 0.29 1.63 -3.56 -3.83 5.02 -1.26 -4.40 118.16 112.05 2iqx n LYS 141 Ca 0.11 -2.87 -0.17 0.00 -2.02 0.00 0.00 58.31 53.36 2iqx n LYS 141 Cb 0.50 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 2iqx n LYS 141 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2iqx s SER 142 N -2.83 -0.69 0.00 4.39 0.15 -1.24 -2.24 113.70 111.24 2iqx s SER 142 Ca 0.36 0.95 0.25 0.00 0.70 0.00 0.00 55.95 58.21 2iqx s SER 142 Cb 0.32 0.83 0.60 0.00 -1.71 0.00 0.00 66.02 66.07 2iqx s SER 142 CO 0.01 -0.49 1.49 0.61 1.20 0.00 0.00 173.24 176.05 2iqx n GLY 143 N 1.48 0.65 3.73 9.45 0.00 -1.18 -4.81 105.19 114.51 2iqx n GLY 143 Ca -0.17 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2iqx n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iqx s ASP 144 N -1.87 6.48 -0.60 1.61 1.11 -1.26 -2.52 116.67 119.62 2iqx s ASP 144 Ca 0.34 2.78 0.00 0.00 0.18 0.00 0.00 52.55 55.84 2iqx s ASP 144 Cb 0.20 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.59 2iqx s ASP 144 CO 0.31 -0.88 0.00 0.59 1.18 0.00 0.00 175.17 176.37 2iqx n ASN 145 N 3.40 -4.27 -0.03 0.27 3.02 -1.26 -4.89 115.26 111.51 2iqx n ASN 145 Ca 0.12 0.14 -0.19 0.00 -0.03 0.00 0.00 54.58 54.63 2iqx n ASN 145 Cb 0.37 -2.26 -0.14 0.00 -0.61 0.00 0.00 39.78 37.14 2iqx n ASN 145 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2iqx n ARG 146 N -2.05 0.72 -2.20 3.52 5.12 -1.05 -4.94 116.66 115.78 2iqx n ARG 146 Ca -0.06 0.23 -0.27 0.00 -1.93 0.00 0.00 57.85 55.83 2iqx n ARG 146 Cb 0.28 -1.67 0.06 0.00 -1.16 0.00 0.00 32.46 29.97 2iqx n ARG 146 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2iqx s GLY 147 N -5.71 1.65 -1.46 -0.13 0.00 -1.26 -1.32 107.32 99.10 2iqx s GLY 147 Ca -0.22 -0.79 -0.10 0.00 0.00 0.00 0.00 44.72 43.61 2iqx s GLY 147 CO 0.75 -0.41 0.77 0.28 0.00 0.00 0.00 173.10 174.48 2iqx n LYS 148 N -2.86 -4.91 -3.44 2.90 5.02 -0.58 -4.86 118.16 109.43 2iqx n LYS 148 Ca 0.07 0.64 -0.38 0.00 -2.02 0.00 0.00 58.31 56.62 2iqx n LYS 148 Cb 0.59 -5.49 -0.06 0.00 -0.02 0.00 0.00 35.03 30.06 2iqx n LYS 148 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2iqx s PHE 149 N -3.16 3.67 -0.30 2.13 5.36 0.30 -4.64 117.98 121.33 2iqx s PHE 149 Ca 0.51 0.97 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 2iqx s PHE 149 Cb -0.25 -2.37 0.08 0.00 -0.34 0.00 0.00 43.02 40.14 2iqx s PHE 149 CO 0.62 0.50 -0.01 0.15 -1.46 0.00 0.00 175.22 175.02 2iqx s LYS 150 N -0.58 1.74 0.22 10.12 -0.14 -1.26 -0.88 119.74 128.96 2iqx s LYS 150 Ca 0.24 -1.62 -0.07 0.00 -1.36 0.00 0.00 55.97 53.16 2iqx s LYS 150 Cb -0.16 -3.03 0.31 0.00 -1.68 0.00 0.00 37.83 33.27 2iqx s LYS 150 CO 0.12 -0.79 1.80 -0.24 -0.76 0.00 0.00 175.35 175.48 2iqx h VAL 151 N 6.67 0.91 -0.37 3.17 3.04 -1.97 0.27 116.25 127.97 2iqx h VAL 151 Ca -0.10 -0.23 0.06 0.00 -1.01 0.00 0.00 66.70 65.41 2iqx h VAL 151 Cb 1.03 0.17 -0.06 0.00 -2.01 0.00 0.00 31.29 30.43 2iqx h VAL 151 CO 0.49 0.12 0.03 -0.08 -1.01 0.00 0.00 177.57 177.13 2iqx h GLU 152 N 0.68 0.13 -0.38 4.17 4.81 -1.94 0.21 114.58 122.27 2iqx h GLU 152 Ca 0.34 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 2iqx h GLU 152 Cb 0.29 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2iqx h GLU 152 CO -0.23 0.09 0.13 0.93 -0.73 0.00 0.00 179.01 179.21 2iqx h GLU 153 N 0.14 0.58 -0.27 1.92 5.08 -1.71 -2.32 114.58 117.99 2iqx h GLU 153 Ca 0.18 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2iqx h GLU 153 Cb 0.24 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2iqx h GLU 153 CO -0.27 0.57 0.02 0.35 -1.00 0.00 0.00 179.01 178.67 2iqx h PHE 154 N 0.46 0.02 -0.02 4.33 3.57 -0.32 -1.67 116.94 123.31 2iqx h PHE 154 Ca 0.12 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 2iqx h PHE 154 Cb 0.22 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2iqx h PHE 154 CO 0.00 -0.03 -0.57 0.07 -2.23 0.00 0.00 178.31 175.55 2iqx h ARG 155 N 0.10 0.07 0.00 1.11 -0.00 -0.49 -2.73 114.38 112.45 2iqx h ARG 155 Ca 0.13 -0.05 -0.13 0.00 -0.00 0.00 0.00 59.98 59.93 2iqx h ARG 155 Cb 0.16 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.12 2iqx h ARG 155 CO -0.20 0.63 -0.61 0.87 -0.00 0.00 0.00 179.97 180.66 2iqx h LYS 156 N 0.06 0.00 -0.64 0.08 1.57 -1.29 0.12 116.57 116.47 2iqx h LYS 156 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2iqx h LYS 156 Cb 1.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 2iqx h LYS 156 CO 0.08 0.61 0.41 -0.22 -0.57 0.00 0.00 179.45 179.76 2iqx h LYS 157 N 0.00 0.81 -0.67 3.15 3.64 -1.00 -2.30 116.57 120.19 2iqx h LYS 157 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2iqx h LYS 157 Cb 1.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2iqx h LYS 157 CO 0.08 0.54 0.00 0.66 -2.27 0.00 0.00 179.45 178.46 2iqx n TYR 158 N -4.66 1.12 -3.67 1.91 4.01 -1.11 -4.93 117.16 109.83 2iqx n TYR 158 Ca 0.05 -0.41 -0.25 0.00 -0.16 0.00 0.00 57.90 57.13 2iqx n TYR 158 Cb 0.04 -0.27 0.07 0.00 -0.31 0.00 0.00 39.34 38.87 2iqx n TYR 158 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2iqx n HIS 159 N 0.49 -2.78 -3.22 -0.72 8.25 -0.87 -5.01 115.22 111.37 2iqx n HIS 159 Ca 0.17 1.00 -0.23 0.00 -0.26 0.00 0.00 57.72 58.39 2iqx n HIS 159 Cb 0.72 -4.83 -0.00 0.00 1.12 0.00 0.00 29.99 27.00 2iqx n HIS 159 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2iqx s LEU 160 N -7.31 3.87 0.00 2.41 1.43 0.40 -5.00 118.68 114.48 2iqx s LEU 160 Ca 0.60 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 2iqx s LEU 160 Cb -0.27 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2iqx s LEU 160 CO 0.75 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 177.49 2iqx n GLY 161 N -1.90 1.15 3.71 -3.19 0.00 -1.26 -4.52 105.19 99.19 2iqx n GLY 161 Ca -0.02 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 2iqx n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iqx s ALA 162 N -2.55 1.95 0.46 4.61 0.00 -1.26 -4.93 121.76 120.04 2iqx s ALA 162 Ca 0.00 0.78 -0.25 0.00 0.00 0.00 0.00 51.96 52.49 2iqx s ALA 162 Cb 0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 2iqx s ALA 162 CO 0.00 -2.12 1.38 -2.14 0.00 0.00 0.00 175.76 172.88 2iqx s PRO 163 N -4.16 3.63 0.23 0.00 0.02 -1.26 -4.79 135.00 128.67 2iqx s PRO 163 Ca 0.72 2.31 0.13 0.00 0.02 0.00 0.00 61.00 64.17 2iqx s PRO 163 Cb -0.27 -2.58 -0.00 0.00 0.02 0.00 0.00 34.50 31.66 2iqx s PRO 163 CO 0.49 -0.83 1.40 -0.39 -0.33 0.00 0.00 177.00 177.35 2iqx h VAL 164 N 2.14 1.12 -2.76 3.83 -1.51 -1.58 -2.07 116.25 115.42 2iqx h VAL 164 Ca -0.51 -2.57 -0.07 0.00 -1.23 0.00 0.00 66.70 62.33 2iqx h VAL 164 Cb 1.27 2.54 -0.17 0.00 -2.13 0.00 0.00 31.29 32.80 2iqx h VAL 164 CO 0.60 0.64 0.01 0.00 -1.23 0.00 0.00 177.57 177.59 2iqx s ALA 165 N -2.90 -1.28 -0.12 5.19 0.00 -1.20 -1.02 121.76 120.43 2iqx s ALA 165 Ca 0.03 0.60 -0.33 0.00 0.00 0.00 0.00 51.96 52.26 2iqx s ALA 165 Cb 0.08 0.32 0.13 0.00 0.00 0.00 0.00 23.12 23.65 2iqx s ALA 165 CO 0.77 -0.47 1.11 0.20 0.00 0.00 0.00 175.76 177.37 2iqx s GLY 166 N -1.86 -0.35 0.37 0.00 0.00 -1.07 -0.71 107.32 103.70 2iqx s GLY 166 Ca -0.06 1.36 -0.16 0.00 0.00 0.00 0.00 44.72 45.86 2iqx s GLY 166 CO -0.00 0.45 0.83 -1.08 0.00 0.00 0.00 173.10 173.29 2iqx s THR 167 N -2.65 0.00 -0.08 0.90 -1.32 0.11 -1.77 115.64 110.82 2iqx s THR 167 Ca 0.08 -0.95 -0.13 0.00 -1.21 0.00 0.00 61.69 59.48 2iqx s THR 167 Cb -0.01 -2.99 0.03 0.00 -1.51 0.00 0.00 72.50 68.02 2iqx s THR 167 CO -0.06 0.00 0.33 0.00 -2.21 0.00 0.00 174.62 172.68 2iqx s PHE 169 N -0.40 1.49 0.15 0.00 -0.12 -0.67 0.78 117.98 119.20 2iqx s PHE 169 Ca -0.05 -0.58 0.09 0.00 -0.05 0.00 0.00 56.93 56.33 2iqx s PHE 169 Cb -0.03 -0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 41.56 2iqx s PHE 169 CO 0.02 0.20 -0.13 -0.65 -0.05 0.00 0.00 175.22 174.61 2iqx s GLN 170 N -3.07 1.95 -0.11 1.99 -0.21 0.20 -0.30 119.66 120.10 2iqx s GLN 170 Ca 0.14 -1.23 -0.22 0.00 0.02 0.00 0.00 55.36 54.07 2iqx s GLN 170 Cb -0.03 -2.14 0.05 0.00 1.00 0.00 0.00 33.01 31.89 2iqx s GLN 170 CO 0.04 0.45 0.54 0.00 -2.12 0.00 0.00 175.29 174.20 2iqx s ALA 171 N -1.48 -1.37 0.38 6.09 0.00 -0.78 -0.03 121.76 124.58 2iqx s ALA 171 Ca 0.22 1.20 0.06 0.00 0.00 0.00 0.00 51.96 53.44 2iqx s ALA 171 Cb -0.10 -0.39 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 2iqx s ALA 171 CO 0.13 -0.30 0.03 -1.83 0.00 0.00 0.00 175.76 173.79 2iqx s GLU 172 N -0.56 1.86 0.21 0.00 -1.05 -1.26 -0.79 118.70 117.10 2iqx s GLU 172 Ca -0.07 -2.05 -0.31 0.00 -0.15 0.00 0.00 54.97 52.39 2iqx s GLU 172 Cb -0.03 -1.34 -0.15 0.00 -0.44 0.00 0.00 34.13 32.17 2iqx s GLU 172 CO 0.05 -0.12 1.16 1.87 0.95 0.00 0.00 175.26 179.16 2iqx n TRP 173 N -0.88 1.39 -4.26 4.83 -0.00 -1.26 -4.45 117.44 112.83 2iqx n TRP 173 Ca -0.04 0.65 -0.17 0.00 -0.00 0.00 0.00 57.50 57.94 2iqx n TRP 173 Cb 0.67 -2.29 -0.09 0.00 -0.00 0.00 0.00 31.31 29.60 2iqx n TRP 173 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 2iqx s ASP 174 N -0.10 1.25 0.00 5.87 -4.77 -1.26 -4.99 116.67 112.67 2iqx s ASP 174 Ca 0.69 -1.65 0.21 0.00 -3.30 0.00 0.00 52.55 48.50 2iqx s ASP 174 Cb -0.79 0.51 0.93 0.00 -1.09 0.00 0.00 42.92 42.49 2iqx s ASP 174 CO 0.54 -1.01 1.66 -0.90 0.70 0.00 0.00 175.17 176.16 2iqx n ASP 175 N -1.20 0.00 -0.00 2.11 5.68 -1.26 -2.06 116.55 119.82 2iqx n ASP 175 Ca 0.06 0.34 0.13 0.00 -0.50 0.00 0.00 54.79 54.83 2iqx n ASP 175 Cb 0.63 -0.44 0.51 0.00 -1.14 0.00 0.00 41.12 40.69 2iqx n ASP 175 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2iqx n SER 176 N -1.44 0.15 -0.08 -1.12 3.41 -1.26 -4.19 113.62 109.08 2iqx n SER 176 Ca 0.06 0.28 -0.13 0.00 -0.26 0.00 0.00 58.87 58.82 2iqx n SER 176 Cb 0.22 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 2iqx n SER 176 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2iqx h VAL 177 N 0.00 1.31 -0.73 -3.33 2.07 -1.75 -3.08 116.25 110.75 2iqx h VAL 177 Ca 0.00 -1.40 0.15 0.00 0.82 0.00 0.00 66.70 66.27 2iqx h VAL 177 Cb 0.50 1.66 -0.10 0.00 -1.52 0.00 0.00 31.29 31.83 2iqx h VAL 177 CO 0.00 0.44 0.23 -0.65 0.02 0.00 0.00 177.57 177.61 2iqx h PRO 178 N 0.31 0.34 -0.34 1.57 0.11 -1.80 -1.19 132.00 131.00 2iqx h PRO 178 Ca 0.04 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.17 2iqx h PRO 178 Cb 0.79 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.79 2iqx h PRO 178 CO 0.06 0.22 0.11 -0.22 -0.21 0.00 0.00 178.00 177.97 2iqx h LYS 179 N 0.35 0.25 -0.98 1.05 3.64 -1.81 -0.95 116.57 118.12 2iqx h LYS 179 Ca 0.41 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.83 2iqx h LYS 179 Cb 0.66 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 2iqx h LYS 179 CO -0.45 0.17 0.64 1.25 -2.27 0.00 0.00 179.45 178.78 2iqx h LEU 180 N 0.26 1.02 -0.83 5.20 6.46 -1.26 -0.93 115.31 125.23 2iqx h LEU 180 Ca 0.16 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.82 2iqx h LEU 180 Cb 0.13 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2iqx h LEU 180 CO -0.16 0.66 -0.47 0.45 -0.62 0.00 0.00 178.44 178.30 2iqx h HIS 181 N 1.16 0.00 -0.50 1.25 3.86 -0.49 -1.31 115.15 119.12 2iqx h HIS 181 Ca 0.42 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.57 2iqx h HIS 181 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2iqx h HIS 181 CO -0.00 0.47 0.08 0.22 0.86 0.00 0.00 177.93 179.56 2iqx h ASP 182 N 0.00 0.80 -0.72 2.45 -0.00 -0.58 -2.96 116.42 115.41 2iqx h ASP 182 Ca -0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 57.03 56.75 2iqx h ASP 182 Cb 0.99 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.33 40.08 2iqx h ASP 182 CO 0.06 0.85 0.38 -0.61 -0.00 0.00 0.00 179.24 179.92 2iqx h GLN 183 N 0.71 1.01 -0.07 0.28 4.15 -0.69 -2.63 115.11 117.87 2iqx h GLN 183 Ca 0.15 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2iqx h GLN 183 Cb 0.40 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2iqx h GLN 183 CO 0.01 0.77 0.00 1.28 -1.93 0.00 0.00 178.83 178.96 2iqx n LEU 184 N -4.46 0.48 0.00 -2.39 4.77 -0.54 -4.19 117.00 110.67 2iqx n LEU 184 Ca 0.06 -0.22 0.01 0.00 -0.03 0.00 0.00 56.01 55.84 2iqx n LEU 184 Cb 0.10 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 2iqx n LEU 184 CO 0.38 0.11 0.54 0.00 -1.33 0.00 0.00 177.39 177.09 2iqx n ALA 185 N -0.38 2.49 -0.75 -1.18 0.00 -0.99 -3.08 120.51 116.62 2iqx n ALA 185 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2iqx n ALA 185 Cb 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2iqx n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91