#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqx s MET 14 N 0.00 2.27 0.23 -1.46 1.00 -1.16 -4.95 119.30 115.23 3iqx s MET 14 Ca 0.00 -1.75 -0.29 0.00 0.00 0.00 0.00 55.69 53.64 3iqx s MET 14 Cb 0.00 -2.05 -0.15 0.00 0.00 0.00 0.00 34.83 32.62 3iqx s MET 14 CO 0.00 -0.06 0.89 0.39 0.00 0.00 0.00 175.02 176.24 3iqx n GLU 15 N -1.23 0.86 -1.71 2.03 4.71 -1.26 -4.77 120.64 119.26 3iqx n GLU 15 Ca -0.01 0.30 -0.40 0.00 -0.01 0.00 0.00 57.16 57.04 3iqx n GLU 15 Cb 0.63 -1.58 -0.01 0.00 -1.01 0.00 0.00 31.44 29.47 3iqx n GLU 15 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3iqx n PRO 16 N 1.01 3.90 -3.54 3.49 -0.04 -1.26 -4.12 135.00 134.45 3iqx n PRO 16 Ca 0.13 -2.83 -0.15 0.00 -0.04 0.00 0.00 63.50 60.61 3iqx n PRO 16 Cb 0.28 -2.82 -0.05 0.00 -0.04 0.00 0.00 33.50 30.87 3iqx n PRO 16 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3iqx s THR 17 N 0.96 0.02 -2.00 0.52 -4.23 -1.26 -4.55 115.64 105.09 3iqx s THR 17 Ca 0.58 -0.13 0.19 0.00 -1.18 0.00 0.00 61.69 61.15 3iqx s THR 17 Cb 0.17 -0.98 0.53 0.00 1.34 0.00 0.00 72.50 73.57 3iqx s THR 17 CO -0.07 -0.07 1.69 0.18 -0.54 0.00 0.00 174.62 175.81 3iqx n LEU 18 N 0.46 0.00 -0.29 4.79 4.77 -0.91 -4.27 117.00 121.55 3iqx n LEU 18 Ca -0.18 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 55.97 3iqx n LEU 18 Cb 0.60 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 42.02 3iqx n LEU 18 CO 0.20 0.00 0.76 1.67 -1.33 0.00 0.00 177.39 178.69 3iqx n GLN 19 N -0.81 -0.06 0.01 3.23 -0.06 -1.26 0.30 117.38 118.72 3iqx n GLN 19 Ca 0.14 1.27 0.18 0.00 -2.00 0.00 0.00 57.00 56.59 3iqx n GLN 19 Cb 0.06 -2.09 0.66 0.00 -4.06 0.00 0.00 30.24 24.81 3iqx n GLN 19 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3iqx h SER 20 N 0.00 0.06 0.65 1.69 4.64 -1.99 0.35 113.55 118.95 3iqx h SER 20 Ca 0.59 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.64 3iqx h SER 20 Cb 1.35 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 3iqx h SER 20 CO -0.77 0.03 -1.38 0.40 -0.87 0.00 0.00 176.83 174.24 3iqx h ILE 21 N 0.06 1.29 -0.04 0.95 1.08 -0.50 -0.69 117.51 119.66 3iqx h ILE 21 Ca 0.24 -2.99 0.01 0.00 -0.39 0.00 0.00 64.86 61.73 3iqx h ILE 21 Cb 0.87 2.72 -0.01 0.00 -3.07 0.00 0.00 36.82 37.33 3iqx h ILE 21 CO -0.02 0.80 -0.04 -0.07 -0.69 0.00 0.00 178.15 178.14 3iqx h LEU 22 N 0.03 -0.12 -0.73 1.44 4.07 -0.62 -3.19 115.31 116.19 3iqx h LEU 22 Ca -0.17 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.75 3iqx h LEU 22 Cb 1.93 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 43.70 3iqx h LEU 22 CO 0.14 -0.05 0.23 0.44 -1.08 0.00 0.00 178.44 178.11 3iqx h ASP 23 N -0.05 1.06 -0.53 -0.43 3.32 -0.33 -3.40 116.42 116.07 3iqx h ASP 23 Ca 0.03 -0.21 -0.38 0.00 0.02 0.00 0.00 57.03 56.49 3iqx h ASP 23 Cb 0.09 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 3iqx h ASP 23 CO -0.07 0.99 1.23 -1.58 -1.72 0.00 0.00 179.24 178.09 3iqx s GLN 24 N -5.41 2.71 0.48 3.56 0.74 -0.27 -4.82 119.66 116.64 3iqx s GLN 24 Ca -0.12 -1.28 0.20 0.00 0.05 0.00 0.00 55.36 54.21 3iqx s GLN 24 Cb 0.15 -5.28 1.23 0.00 1.10 0.00 0.00 33.01 30.21 3iqx s GLN 24 CO 0.84 -3.73 1.98 0.00 -0.55 0.00 0.00 175.29 173.82 3iqx h ARG 25 N 9.44 0.18 -0.93 1.67 3.08 -1.84 -2.30 114.38 123.68 3iqx h ARG 25 Ca 0.25 -0.01 0.25 0.00 0.07 0.00 0.00 59.98 60.53 3iqx h ARG 25 Cb 0.93 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.88 3iqx h ARG 25 CO 1.26 0.12 0.64 0.77 -1.07 0.00 0.00 179.97 181.69 3iqx h SER 26 N 0.19 0.19 -1.68 7.04 0.02 -1.88 -3.43 113.55 113.99 3iqx h SER 26 Ca 0.28 0.02 -0.68 0.00 -0.84 0.00 0.00 61.79 60.58 3iqx h SER 26 Cb 0.86 -0.01 0.05 0.00 0.14 0.00 0.00 62.40 63.44 3iqx h SER 26 CO -0.05 0.06 0.45 0.18 -1.14 0.00 0.00 176.83 176.33 3iqx n LEU 27 N -4.39 1.63 0.00 5.07 4.77 -0.82 -4.48 117.00 118.77 3iqx n LEU 27 Ca 0.20 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.30 3iqx n LEU 27 Cb 0.88 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3iqx n LEU 27 CO 0.35 -1.06 -0.44 -1.14 -1.33 0.00 0.00 177.39 173.77 3iqx n ARG 28 N 2.50 0.00 -4.01 3.23 3.00 -0.67 -4.64 116.66 116.06 3iqx n ARG 28 Ca 0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.72 3iqx n ARG 28 Cb 0.19 -0.82 -0.15 0.00 0.00 0.00 0.00 32.46 31.68 3iqx n ARG 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3iqx s TRP 29 N -1.91 3.69 -0.25 -0.14 0.51 0.10 0.09 118.94 121.03 3iqx s TRP 29 Ca 0.00 -3.00 -0.14 0.00 -2.12 0.00 0.00 56.10 50.84 3iqx s TRP 29 Cb 0.00 -2.90 -0.04 0.00 -0.81 0.00 0.00 33.47 29.72 3iqx s TRP 29 CO 0.00 -0.93 0.33 0.42 -0.51 0.00 0.00 176.95 176.26 3iqx s ILE 30 N 0.82 5.22 -0.16 2.03 1.01 0.90 -2.94 121.20 128.08 3iqx s ILE 30 Ca 0.11 0.51 -0.05 0.00 0.00 0.00 0.00 60.65 61.23 3iqx s ILE 30 Cb -0.20 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 3iqx s ILE 30 CO -0.08 0.21 0.00 -0.36 0.00 0.00 0.00 174.94 174.72 3iqx s PHE 31 N 1.72 3.13 -0.30 3.97 0.08 -0.54 -0.47 117.98 125.58 3iqx s PHE 31 Ca 0.14 -0.11 -0.06 0.00 0.12 0.00 0.00 56.93 57.02 3iqx s PHE 31 Cb -0.15 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 3iqx s PHE 31 CO 0.09 0.08 0.07 0.08 -0.10 0.00 0.00 175.22 175.44 3iqx s VAL 32 N 0.26 3.75 0.37 -0.44 1.01 -1.16 0.19 120.40 124.37 3iqx s VAL 32 Ca -0.00 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.17 3iqx s VAL 32 Cb -0.13 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 3iqx s VAL 32 CO 0.02 0.02 0.02 -0.83 0.00 0.00 0.00 175.10 174.33 3iqx s GLY 33 N 1.44 2.28 0.00 4.51 0.00 -0.77 -4.41 107.32 110.37 3iqx s GLY 33 Ca 0.01 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.55 3iqx s GLY 33 CO 0.02 -1.97 0.00 0.61 0.00 0.00 0.00 173.10 171.75 3iqx n GLY 34 N -0.83 -0.40 3.93 0.20 0.00 -1.26 -0.69 105.19 106.14 3iqx n GLY 34 Ca -0.04 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 3iqx n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iqx s LYS 35 N -2.00 3.52 -0.36 1.61 2.20 -1.26 -3.29 119.74 120.16 3iqx s LYS 35 Ca 0.00 -0.33 -0.39 0.00 -0.36 0.00 0.00 55.97 54.89 3iqx s LYS 35 Cb 0.00 -2.84 -0.14 0.00 -1.51 0.00 0.00 37.83 33.34 3iqx s LYS 35 CO 0.00 0.40 2.02 0.41 -0.36 0.00 0.00 175.35 177.82 3iqx n GLY 36 N -0.64 0.49 1.78 5.54 0.00 -1.26 -1.25 105.19 109.85 3iqx n GLY 36 Ca -0.05 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.95 3iqx n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iqx n GLY 37 N 5.88 0.53 0.13 -0.02 0.00 -1.26 -4.87 105.19 105.58 3iqx n GLY 37 Ca 0.39 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3iqx n GLY 37 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iqx n VAL 38 N -2.89 0.79 0.00 1.61 0.24 -0.38 -4.82 118.33 112.87 3iqx n VAL 38 Ca 0.00 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 3iqx n VAL 38 Cb 0.00 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 3iqx n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iqx n GLY 39 N 0.20 1.90 0.00 7.63 0.00 -1.26 -4.61 105.19 109.05 3iqx n GLY 39 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3iqx n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iqx n LYS 40 N -0.23 0.00 -0.30 1.61 5.02 -1.26 -2.37 118.16 120.62 3iqx n LYS 40 Ca 0.00 0.88 -0.10 0.00 -2.02 0.00 0.00 58.31 57.06 3iqx n LYS 40 Cb 0.00 -1.46 -0.09 0.00 -0.02 0.00 0.00 35.03 33.46 3iqx n LYS 40 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3iqx h THR 41 N 0.00 0.00 -0.99 -0.18 2.02 -1.96 0.22 112.91 112.01 3iqx h THR 41 Ca 0.00 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.54 3iqx h THR 41 Cb 0.00 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.24 3iqx h THR 41 CO 0.00 0.00 0.44 0.74 0.37 0.00 0.00 175.52 177.07 3iqx h THR 42 N -0.10 0.08 0.37 3.16 2.02 -1.88 0.14 112.91 116.70 3iqx h THR 42 Ca 0.12 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 3iqx h THR 42 Cb 0.41 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3iqx h THR 42 CO -0.74 0.01 -0.18 0.74 0.37 0.00 0.00 175.52 175.72 3iqx h THR 43 N 0.07 0.48 -0.77 3.16 2.02 -0.21 -2.16 112.91 115.49 3iqx h THR 43 Ca 0.77 -0.65 0.13 0.00 0.77 0.00 0.00 66.41 67.42 3iqx h THR 43 Cb 1.90 0.72 -0.13 0.00 -1.74 0.00 0.00 68.15 68.90 3iqx h THR 43 CO -0.76 0.09 -0.28 -1.20 0.37 0.00 0.00 175.52 173.74 3iqx n SER 44 N -5.14 -0.46 0.00 4.18 7.64 0.40 0.15 113.62 120.39 3iqx n SER 44 Ca -0.09 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.14 3iqx n SER 44 Cb 0.28 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3iqx n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iqx n SER 46 N -2.16 -0.28 -0.02 0.00 7.64 0.11 -0.06 113.62 118.85 3iqx n SER 46 Ca 0.00 1.54 -0.10 0.00 1.01 0.00 0.00 58.87 61.32 3iqx n SER 46 Cb 0.00 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.67 3iqx n SER 46 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3iqx h LEU 47 N 0.00 0.17 0.35 -3.43 5.85 0.16 -0.63 115.31 117.77 3iqx h LEU 47 Ca 0.45 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.17 3iqx h LEU 47 Cb 0.74 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3iqx h LEU 47 CO -0.91 0.12 -0.33 0.00 -0.34 0.00 0.00 178.44 176.98 3iqx h ALA 48 N 1.06 -0.71 -0.96 1.25 0.00 0.80 0.22 119.26 120.91 3iqx h ALA 48 Ca 0.06 -0.11 0.30 0.00 0.00 0.00 0.00 54.91 55.15 3iqx h ALA 48 Cb -0.02 0.47 -0.16 0.00 0.00 0.00 0.00 17.79 18.08 3iqx h ALA 48 CO -0.02 -0.94 0.32 0.82 0.00 0.00 0.00 179.25 179.44 3iqx h ILE 49 N -0.70 0.17 0.04 0.00 2.04 -0.44 1.89 117.51 120.51 3iqx h ILE 49 Ca -0.02 -0.05 -0.26 0.00 1.00 0.00 0.00 64.86 65.53 3iqx h ILE 49 Cb 0.63 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3iqx h ILE 49 CO -0.05 0.03 -1.06 -0.61 0.00 0.00 0.00 178.15 176.45 3iqx h GLN 50 N 0.14 0.51 -0.30 2.37 5.75 0.35 -3.05 115.11 120.88 3iqx h GLN 50 Ca 0.67 -0.60 -0.13 0.00 -0.15 0.00 0.00 58.65 58.44 3iqx h GLN 50 Cb 1.51 0.18 -0.00 0.00 1.07 0.00 0.00 27.48 30.23 3iqx h GLN 50 CO -0.73 1.22 -0.32 -0.07 -2.65 0.00 0.00 178.83 176.28 3iqx h LEU 51 N 0.26 0.79 -1.76 -2.39 3.38 0.15 -2.88 115.31 112.86 3iqx h LEU 51 Ca -0.12 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 57.46 3iqx h LEU 51 Cb 1.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 3iqx h LEU 51 CO 0.19 1.11 0.52 0.00 0.09 0.00 0.00 178.44 180.35 3iqx h ALA 52 N 0.71 1.92 0.00 1.53 0.00 0.29 0.46 119.26 124.17 3iqx h ALA 52 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3iqx h ALA 52 Cb 0.89 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3iqx h ALA 52 CO 0.08 -0.67 -0.46 -0.22 0.00 0.00 0.00 179.25 177.97 3iqx h LYS 53 N 0.00 0.00 -0.68 0.00 3.64 -1.40 -3.36 116.57 114.77 3iqx h LYS 53 Ca 0.14 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.17 3iqx h LYS 53 Cb 1.18 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.59 3iqx h LYS 53 CO -0.00 0.46 -1.04 1.33 -2.27 0.00 0.00 179.45 177.93 3iqx n VAL 54 N -3.32 1.58 -4.06 2.00 0.24 0.16 -5.05 118.33 109.87 3iqx n VAL 54 Ca 0.01 -3.38 -0.10 0.00 -2.04 0.00 0.00 64.34 58.83 3iqx n VAL 54 Cb 0.66 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.43 3iqx n VAL 54 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3iqx s ARG 55 N -3.62 1.49 0.08 7.34 1.81 -0.86 -5.01 118.95 120.18 3iqx s ARG 55 Ca 0.34 -1.41 -0.16 0.00 -1.72 0.00 0.00 55.73 52.78 3iqx s ARG 55 Cb 0.37 0.41 -0.12 0.00 -0.45 0.00 0.00 34.95 35.16 3iqx s ARG 55 CO -0.02 -0.59 1.34 -0.09 -0.68 0.00 0.00 175.30 175.27 3iqx h ARG 56 N 2.34 0.65 -1.83 3.54 2.43 -1.90 -3.47 114.38 116.15 3iqx h ARG 56 Ca -0.29 -0.42 -0.00 0.00 -0.81 0.00 0.00 59.98 58.45 3iqx h ARG 56 Cb 1.25 0.05 -0.21 0.00 -0.42 0.00 0.00 29.97 30.64 3iqx h ARG 56 CO 0.41 1.04 0.32 -1.54 -1.51 0.00 0.00 179.97 178.69 3iqx s SER 57 N -6.66 -0.56 -0.05 -3.80 1.04 -1.26 -4.92 113.70 97.50 3iqx s SER 57 Ca -0.12 0.70 0.01 0.00 0.48 0.00 0.00 55.95 57.01 3iqx s SER 57 Cb 0.08 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.79 3iqx s SER 57 CO 0.84 -0.46 -0.03 -0.69 0.98 0.00 0.00 173.24 173.88 3iqx s VAL 58 N -0.92 0.46 -0.22 5.02 1.01 -1.21 -2.33 120.40 122.21 3iqx s VAL 58 Ca -0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 3iqx s VAL 58 Cb -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 3iqx s VAL 58 CO 0.05 0.22 0.10 -0.22 0.00 0.00 0.00 175.10 175.25 3iqx s LEU 59 N 1.09 3.81 -0.23 3.92 2.96 0.25 -0.97 118.68 129.52 3iqx s LEU 59 Ca -0.08 0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.74 3iqx s LEU 59 Cb -0.14 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3iqx s LEU 59 CO -0.01 0.08 0.13 -0.22 -1.32 0.00 0.00 176.35 175.01 3iqx s LEU 60 N 0.96 3.95 -0.12 -0.68 2.96 0.29 -1.06 118.68 124.99 3iqx s LEU 60 Ca 0.05 0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 3iqx s LEU 60 Cb -0.14 -2.05 0.04 0.00 0.50 0.00 0.00 46.19 44.54 3iqx s LEU 60 CO 0.03 0.06 0.03 -0.22 -1.32 0.00 0.00 176.35 174.94 3iqx s LEU 61 N 1.06 0.68 -0.10 -0.68 0.20 -0.35 -0.83 118.68 118.65 3iqx s LEU 61 Ca 0.06 -0.37 -0.09 0.00 0.69 0.00 0.00 54.13 54.42 3iqx s LEU 61 Cb -0.14 -0.42 -0.04 0.00 -0.43 0.00 0.00 46.19 45.15 3iqx s LEU 61 CO 0.04 -0.26 0.20 -0.55 -0.29 0.00 0.00 176.35 175.49 3iqx s SER 62 N 1.98 6.47 0.00 3.68 0.15 -0.51 0.41 113.70 125.88 3iqx s SER 62 Ca 0.03 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.24 3iqx s SER 62 Cb -0.14 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 3iqx s SER 62 CO -0.06 0.36 0.00 0.41 1.20 0.00 0.00 173.24 175.15 3iqx n THR 63 N 2.11 0.00 -1.57 6.45 -1.04 -0.40 -2.14 114.28 117.68 3iqx n THR 63 Ca -0.18 0.00 -0.54 0.00 -2.04 0.00 0.00 64.05 61.29 3iqx n THR 63 Cb 0.54 0.35 -0.07 0.00 -1.82 0.00 0.00 70.33 69.33 3iqx n THR 63 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3iqx n ASP 64 N -1.51 1.23 -0.23 8.00 -0.08 -1.25 -4.64 116.55 118.06 3iqx n ASP 64 Ca 0.00 1.13 0.13 0.00 -1.51 0.00 0.00 54.79 54.54 3iqx n ASP 64 Cb 0.05 -1.11 0.42 0.00 2.34 0.00 0.00 41.12 42.82 3iqx n ASP 64 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3iqx h PRO 65 N 4.25 0.57 -4.91 -0.67 0.11 -1.95 -3.30 132.00 126.12 3iqx h PRO 65 Ca -0.48 -0.03 -0.64 0.00 0.11 0.00 0.00 66.00 64.95 3iqx h PRO 65 Cb 1.36 -0.13 -0.17 0.00 0.11 0.00 0.00 31.00 32.17 3iqx h PRO 65 CO 0.75 0.38 -0.51 0.00 -0.21 0.00 0.00 178.00 178.41 3iqx s ALA 66 N -5.58 3.53 -0.12 -0.75 0.00 -1.26 -5.04 121.76 112.54 3iqx s ALA 66 Ca -0.09 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 3iqx s ALA 66 Cb 0.22 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 3iqx s ALA 66 CO 0.78 -0.56 0.06 -1.01 0.00 0.00 0.00 175.76 175.03 3iqx s HIS 67 N 1.77 3.32 0.00 0.00 3.76 -1.24 -4.95 115.29 117.94 3iqx s HIS 67 Ca 0.07 0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 3iqx s HIS 67 Cb -0.16 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.63 3iqx s HIS 67 CO 0.11 0.48 0.76 0.09 -0.85 0.00 0.00 174.74 175.33 3iqx n ASN 68 N 2.42 1.44 0.27 1.40 4.13 -1.26 -4.55 115.26 119.11 3iqx n ASN 68 Ca -0.19 -1.56 -0.17 0.00 1.68 0.00 0.00 54.58 54.34 3iqx n ASN 68 Cb 0.54 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.69 3iqx n ASN 68 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3iqx h LEU 69 N 0.00 -1.06 -0.02 3.41 4.07 -1.95 0.15 115.31 119.90 3iqx h LEU 69 Ca 0.00 0.08 0.03 0.00 0.08 0.00 0.00 57.88 58.07 3iqx h LEU 69 Cb 0.39 0.35 -0.06 0.00 1.08 0.00 0.00 40.66 42.41 3iqx h LEU 69 CO 0.00 -0.56 -0.44 0.28 -1.08 0.00 0.00 178.44 176.64 3iqx h SER 70 N -0.85 -1.34 -0.76 -0.43 0.02 -1.81 0.36 113.55 108.73 3iqx h SER 70 Ca -0.04 0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.15 3iqx h SER 70 Cb 0.74 0.53 -0.05 0.00 0.14 0.00 0.00 62.40 63.76 3iqx h SER 70 CO -0.03 -0.46 0.50 0.44 -1.14 0.00 0.00 176.83 176.13 3iqx h ASP 71 N -0.58 0.65 -0.31 3.07 3.32 -1.76 0.83 116.42 121.64 3iqx h ASP 71 Ca 0.05 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3iqx h ASP 71 Cb 0.66 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3iqx h ASP 71 CO -0.34 0.40 -0.22 0.00 -1.72 0.00 0.00 179.24 177.36 3iqx h ALA 72 N 1.61 0.87 -0.02 3.45 0.00 0.80 -2.93 119.26 123.03 3iqx h ALA 72 Ca 0.34 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iqx h ALA 72 Cb 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3iqx h ALA 72 CO -0.12 0.63 -0.25 1.19 0.00 0.00 0.00 179.25 180.70 3iqx n PHE 73 N -4.11 0.00 -3.24 0.00 3.72 -0.03 -1.99 117.46 111.80 3iqx n PHE 73 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 3iqx n PHE 73 Cb 0.43 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.97 3iqx n PHE 73 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3iqx n SER 74 N 0.38 -7.06 -3.33 4.37 7.64 0.27 -4.62 113.62 111.29 3iqx n SER 74 Ca 0.12 -0.35 0.02 0.00 1.01 0.00 0.00 58.87 59.67 3iqx n SER 74 Cb 0.49 -4.63 -0.04 0.00 -1.01 0.00 0.00 64.21 59.03 3iqx n SER 74 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3iqx s GLN 75 N -3.67 0.22 0.14 1.43 0.74 -0.75 -5.02 119.66 112.76 3iqx s GLN 75 Ca 0.09 0.55 -0.31 0.00 0.05 0.00 0.00 55.36 55.74 3iqx s GLN 75 Cb -0.02 0.33 -0.11 0.00 1.10 0.00 0.00 33.01 34.31 3iqx s GLN 75 CO 0.78 -0.09 1.83 0.21 -0.55 0.00 0.00 175.29 177.46 3iqx s LYS 76 N 2.40 4.13 0.04 1.67 2.47 -1.26 -4.08 119.74 125.12 3iqx s LYS 76 Ca -0.01 2.62 0.06 0.00 -1.56 0.00 0.00 55.97 57.07 3iqx s LYS 76 Cb -0.05 -3.51 -0.02 0.00 -1.46 0.00 0.00 37.83 32.78 3iqx s LYS 76 CO -0.17 -0.84 -0.16 -0.06 0.16 0.00 0.00 175.35 174.28 3iqx s PHE 77 N 2.50 1.42 0.02 4.03 0.08 -1.26 -5.03 117.98 119.74 3iqx s PHE 77 Ca 0.80 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 57.49 3iqx s PHE 77 Cb -0.47 -0.84 -0.00 0.00 -0.57 0.00 0.00 43.02 41.14 3iqx s PHE 77 CO 0.36 0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.95 3iqx n GLY 78 N 1.85 4.12 0.00 4.36 0.00 -1.26 -4.61 105.19 109.65 3iqx n GLY 78 Ca -0.18 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 43.89 3iqx n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3iqx n LYS 79 N -0.04 0.79 -3.82 1.61 -0.00 -1.13 -1.00 118.16 114.56 3iqx n LYS 79 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.95 3iqx n LYS 79 Cb 0.02 -1.33 -0.10 0.00 -0.00 0.00 0.00 35.03 33.63 3iqx n LYS 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3iqx s GLU 80 N -2.00 4.01 0.99 -1.58 2.12 -1.26 -4.92 118.70 116.05 3iqx s GLU 80 Ca 0.25 -0.31 -0.15 0.00 0.36 0.00 0.00 54.97 55.12 3iqx s GLU 80 Cb 0.11 -3.37 0.03 0.00 0.26 0.00 0.00 34.13 31.17 3iqx s GLU 80 CO 0.19 0.16 0.18 0.00 -0.54 0.00 0.00 175.26 175.25 3iqx n ALA 81 N 3.92 -3.24 -3.60 6.30 0.00 -1.26 -4.73 120.51 117.90 3iqx n ALA 81 Ca -0.16 -0.76 -0.04 0.00 0.00 0.00 0.00 53.44 52.48 3iqx n ALA 81 Cb 0.52 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 3iqx n ALA 81 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3iqx s ARG 82 N -3.42 0.61 0.35 0.00 1.70 -1.19 -4.95 118.95 112.05 3iqx s ARG 82 Ca 0.55 -0.27 -0.27 0.00 -0.47 0.00 0.00 55.73 55.27 3iqx s ARG 82 Cb -0.18 0.25 -0.09 0.00 -0.57 0.00 0.00 34.95 34.35 3iqx s ARG 82 CO 0.69 -0.27 1.10 -1.17 -1.08 0.00 0.00 175.30 174.56 3iqx s LEU 83 N -2.55 4.33 -0.00 -1.89 2.96 -1.26 -2.05 118.68 118.22 3iqx s LEU 83 Ca 0.10 2.20 -0.27 0.00 -0.22 0.00 0.00 54.13 55.94 3iqx s LEU 83 Cb 0.00 -3.91 -0.04 0.00 0.50 0.00 0.00 46.19 42.74 3iqx s LEU 83 CO -0.05 -0.38 0.84 -0.69 -1.32 0.00 0.00 176.35 174.76 3iqx s VAL 84 N -1.39 4.86 0.11 1.68 1.01 0.48 -4.85 120.40 122.30 3iqx s VAL 84 Ca 0.52 1.76 -0.34 0.00 0.00 0.00 0.00 61.98 63.92 3iqx s VAL 84 Cb -0.28 -4.18 -0.14 0.00 0.00 0.00 0.00 36.38 31.78 3iqx s VAL 84 CO 0.36 0.25 1.63 -0.62 0.00 0.00 0.00 175.10 176.71 3iqx n GLU 85 N 3.51 2.12 -0.21 2.72 -0.58 -1.26 -1.10 120.64 125.84 3iqx n GLU 85 Ca 0.01 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 3iqx n GLU 85 Cb 0.51 -2.55 0.00 0.00 -0.57 0.00 0.00 31.44 28.83 3iqx n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iqx n GLY 86 N 3.57 0.76 3.27 0.62 0.00 -1.26 -4.95 105.19 107.20 3iqx n GLY 86 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 3iqx n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iqx s PHE 87 N -2.19 1.34 0.00 1.61 0.08 -0.26 -5.02 117.98 113.53 3iqx s PHE 87 Ca 0.00 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.92 3iqx s PHE 87 Cb 0.00 -0.76 0.00 0.00 -0.57 0.00 0.00 43.02 41.69 3iqx s PHE 87 CO 0.00 -0.32 0.33 -0.40 -0.10 0.00 0.00 175.22 174.74 3iqx n ASP 88 N -0.34 0.67 -0.01 1.36 5.75 -1.26 -4.64 116.55 118.08 3iqx n ASP 88 Ca -0.03 -0.96 -0.01 0.00 -0.01 0.00 0.00 54.79 53.79 3iqx n ASP 88 Cb 0.65 0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.78 3iqx n ASP 88 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3iqx n ASN 89 N -0.05 4.32 -4.50 -1.12 4.05 -1.26 -5.03 115.26 111.66 3iqx n ASN 89 Ca 0.00 -0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.69 3iqx n ASN 89 Cb 0.07 0.34 -0.12 0.00 1.23 0.00 0.00 39.78 41.29 3iqx n ASN 89 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3iqx s LEU 90 N -4.47 2.96 0.07 1.20 2.96 -1.26 -3.30 118.68 116.83 3iqx s LEU 90 Ca -0.02 -0.14 0.07 0.00 -0.22 0.00 0.00 54.13 53.83 3iqx s LEU 90 Cb 0.01 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3iqx s LEU 90 CO 0.06 0.31 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.90 3iqx s TYR 91 N -0.48 1.68 0.03 5.38 2.02 -0.14 -0.39 117.35 125.46 3iqx s TYR 91 Ca 0.07 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3iqx s TYR 91 Cb -0.12 -0.96 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 3iqx s TYR 91 CO 0.02 0.14 -0.07 0.00 -1.57 0.00 0.00 175.55 174.06 3iqx s ALA 92 N -1.01 0.54 -0.06 3.71 0.00 -0.87 0.11 121.76 124.17 3iqx s ALA 92 Ca 0.05 -0.67 -0.27 0.00 0.00 0.00 0.00 51.96 51.07 3iqx s ALA 92 Cb -0.09 0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.11 3iqx s ALA 92 CO 0.03 -0.00 0.60 0.00 0.00 0.00 0.00 175.76 176.39 3iqx s MET 93 N -1.34 0.94 -0.13 0.00 0.23 -0.01 -3.17 119.30 115.82 3iqx s MET 93 Ca -0.08 0.24 0.00 0.00 -1.03 0.00 0.00 55.69 54.82 3iqx s MET 93 Cb -0.09 0.44 0.02 0.00 -1.53 0.00 0.00 34.83 33.68 3iqx s MET 93 CO 0.00 -0.27 -0.11 -1.21 -2.03 0.00 0.00 175.02 171.40 3iqx s GLU 94 N -1.04 1.96 0.34 3.16 2.02 -0.17 -1.43 118.70 123.54 3iqx s GLU 94 Ca -0.10 -0.43 0.05 0.00 0.02 0.00 0.00 54.97 54.51 3iqx s GLU 94 Cb -0.02 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 3iqx s GLU 94 CO 0.08 -0.23 0.20 0.96 0.02 0.00 0.00 175.26 176.28 3iqx s ILE 95 N 1.53 0.25 -0.06 -1.63 -4.36 -0.91 -2.85 121.20 113.17 3iqx s ILE 95 Ca 0.04 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.40 3iqx s ILE 95 Cb -0.13 -2.46 0.04 0.00 1.25 0.00 0.00 42.46 41.16 3iqx s ILE 95 CO -0.09 0.00 0.12 -1.81 0.24 0.00 0.00 174.94 173.40 3iqx s ASP 96 N -3.43 0.73 0.00 4.36 1.01 -1.26 -4.26 116.67 113.81 3iqx s ASP 96 Ca 0.34 0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.83 3iqx s ASP 96 Cb 0.03 0.11 0.00 0.00 1.01 0.00 0.00 42.92 44.07 3iqx s ASP 96 CO 0.20 -0.23 0.00 -2.65 0.21 0.00 0.00 175.17 172.71 3iqx n PRO 97 N 5.11 0.00 0.00 8.23 -0.02 -1.26 -5.12 135.00 141.94 3iqx n PRO 97 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3iqx n PRO 97 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3iqx n PRO 97 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3iqx n ILE 132 N 0.00 0.00 -2.99 4.25 5.41 -1.26 -4.87 119.36 119.91 3iqx n ILE 132 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 3iqx n ILE 132 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3iqx n ILE 132 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3iqx n ASP 133 N 0.00 0.84 -0.02 4.38 2.03 -1.26 -4.73 116.55 117.79 3iqx n ASP 133 Ca 0.00 -2.93 -0.09 0.00 0.52 0.00 0.00 54.79 52.29 3iqx n ASP 133 Cb 0.00 -0.45 -0.14 0.00 -0.72 0.00 0.00 41.12 39.81 3iqx n ASP 133 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3iqx h GLU 134 N 2.98 0.01 0.00 -0.67 3.07 -2.04 -3.36 114.58 114.57 3iqx h GLU 134 Ca 0.02 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3iqx h GLU 134 Cb 1.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 3iqx h GLU 134 CO 0.47 0.53 0.02 0.00 -1.40 0.00 0.00 179.01 178.63 3iqx n ALA 135 N -2.56 1.02 0.01 3.43 0.00 -1.26 -2.45 120.51 118.70 3iqx n ALA 135 Ca -0.16 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 3iqx n ALA 135 Cb 1.05 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 3iqx n ALA 135 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3iqx h MET 136 N 0.00 0.72 -0.31 0.00 -1.53 -1.93 -2.47 114.93 109.41 3iqx h MET 136 Ca 0.00 -0.65 -0.07 0.00 -3.44 0.00 0.00 59.70 55.54 3iqx h MET 136 Cb 0.03 0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.22 3iqx h MET 136 CO 0.00 1.25 -0.12 0.77 0.14 0.00 0.00 176.91 178.95 3iqx h SER 137 N 0.47 0.51 -0.27 1.39 0.02 -1.76 -2.83 113.55 111.07 3iqx h SER 137 Ca -0.07 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 3iqx h SER 137 Cb 1.49 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 3iqx h SER 137 CO 0.17 0.67 0.09 0.15 -1.14 0.00 0.00 176.83 176.77 3iqx h PHE 138 N 0.49 0.43 -0.64 3.45 3.57 -1.63 -2.79 116.94 119.82 3iqx h PHE 138 Ca 0.09 -0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.67 3iqx h PHE 138 Cb 0.50 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.03 3iqx h PHE 138 CO 0.02 0.45 0.18 0.00 -2.23 0.00 0.00 178.31 176.73 3iqx h ALA 139 N 0.93 0.80 -0.42 2.41 0.00 -1.25 -1.83 119.26 119.89 3iqx h ALA 139 Ca 0.09 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3iqx h ALA 139 Cb 0.22 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3iqx h ALA 139 CO -0.00 -0.28 0.16 0.93 0.00 0.00 0.00 179.25 180.06 3iqx h GLU 140 N 0.31 0.32 0.09 0.00 4.39 -1.26 -1.53 114.58 116.91 3iqx h GLU 140 Ca 0.34 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.04 3iqx h GLU 140 Cb 0.51 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3iqx h GLU 140 CO -0.40 0.21 -0.18 -0.24 -1.16 0.00 0.00 179.01 177.24 3iqx h VAL 141 N 0.33 0.58 -0.04 3.13 3.04 -1.16 -1.89 116.25 120.24 3iqx h VAL 141 Ca 0.19 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.91 3iqx h VAL 141 Cb 0.17 0.58 -0.04 0.00 -2.01 0.00 0.00 31.29 30.00 3iqx h VAL 141 CO -0.19 0.00 -0.15 0.25 -1.01 0.00 0.00 177.57 176.47 3iqx h LEU 142 N -0.35 -0.46 -0.36 3.16 6.46 -1.25 0.28 115.31 122.79 3iqx h LEU 142 Ca 0.03 0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 3iqx h LEU 142 Cb 0.37 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.44 3iqx h LEU 142 CO -0.11 -0.21 -0.36 0.50 -0.62 0.00 0.00 178.44 177.64 3iqx h LYS 143 N -0.23 -0.18 -0.46 1.25 3.64 -0.91 1.43 116.57 121.11 3iqx h LYS 143 Ca 0.06 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3iqx h LYS 143 Cb 0.32 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3iqx h LYS 143 CO -0.18 -0.12 0.16 -0.56 -2.27 0.00 0.00 179.45 176.49 3iqx h GLN 144 N -0.18 0.70 0.24 1.90 3.07 -1.12 -2.43 115.11 117.28 3iqx h GLN 144 Ca 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.66 3iqx h GLN 144 Cb 0.35 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.78 3iqx h GLN 144 CO -0.44 0.66 -0.22 0.28 0.09 0.00 0.00 178.83 179.21 3iqx h VAL 145 N 0.61 0.53 -0.96 1.86 2.07 -0.19 -2.97 116.25 117.21 3iqx h VAL 145 Ca 0.15 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.97 3iqx h VAL 145 Cb 0.23 0.53 -0.16 0.00 -1.52 0.00 0.00 31.29 30.38 3iqx h VAL 145 CO -0.01 0.00 0.35 -1.13 0.02 0.00 0.00 177.57 176.80 3iqx h ASN 146 N -0.48 0.12 -1.22 0.57 -0.73 0.24 1.81 115.58 115.90 3iqx h ASN 146 Ca -0.01 0.22 -0.57 0.00 1.87 0.00 0.00 56.30 57.81 3iqx h ASN 146 Cb 0.44 0.27 -0.21 0.00 0.27 0.00 0.00 38.32 39.09 3iqx h ASN 146 CO -0.04 -0.25 0.66 -1.54 -0.37 0.00 0.00 177.43 175.90 3iqx n SER 147 N -5.24 6.96 -4.83 1.15 3.41 -1.12 -4.89 113.62 109.06 3iqx n SER 147 Ca 0.28 -3.45 -0.22 0.00 -0.26 0.00 0.00 58.87 55.22 3iqx n SER 147 Cb 0.91 -1.12 -0.04 0.00 -0.26 0.00 0.00 64.21 63.69 3iqx n SER 147 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iqx s LEU 148 N -2.90 3.64 0.00 1.04 2.01 0.62 -5.01 118.68 118.07 3iqx s LEU 148 Ca 0.53 -0.44 0.08 0.00 0.01 0.00 0.00 54.13 54.32 3iqx s LEU 148 Cb 0.40 -2.21 0.49 0.00 0.01 0.00 0.00 46.19 44.87 3iqx s LEU 148 CO -0.21 -0.23 1.16 -1.20 1.01 0.00 0.00 176.35 176.88 3iqx n SER 149 N -1.28 0.00 -4.75 2.29 7.64 -1.26 -4.73 113.62 111.53 3iqx n SER 149 Ca -0.04 -1.38 -0.40 0.00 1.01 0.00 0.00 58.87 58.05 3iqx n SER 149 Cb 0.59 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 3iqx n SER 149 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3iqx s TYR 150 N -2.00 3.82 -0.11 1.43 1.51 -1.26 -4.96 117.35 115.79 3iqx s TYR 150 Ca 0.12 1.81 -0.28 0.00 -1.01 0.00 0.00 57.07 57.72 3iqx s TYR 150 Cb 0.06 -3.10 -0.25 0.00 -0.11 0.00 0.00 41.96 38.56 3iqx s TYR 150 CO 0.09 0.07 0.89 1.49 -1.11 0.00 0.00 175.55 176.98 3iqx h GLU 151 N 4.40 0.01 -4.85 -0.62 4.81 -1.75 -3.46 114.58 113.12 3iqx h GLU 151 Ca -0.45 -0.01 -0.40 0.00 -0.13 0.00 0.00 59.36 58.37 3iqx h GLU 151 Cb 1.21 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 30.31 3iqx h GLU 151 CO 0.69 0.88 -0.78 0.99 -0.73 0.00 0.00 179.01 180.06 3iqx s THR 152 N -2.72 0.79 -0.11 0.32 2.01 -1.07 -4.64 115.64 110.23 3iqx s THR 152 Ca -0.18 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3iqx s THR 152 Cb -0.02 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 3iqx s THR 152 CO 0.69 0.13 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.01 3iqx s ILE 153 N -0.41 3.27 -0.23 1.82 1.01 0.11 -0.58 121.20 126.19 3iqx s ILE 153 Ca 0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 3iqx s ILE 153 Cb -0.05 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 40.06 3iqx s ILE 153 CO -0.00 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.75 3iqx s VAL 154 N 0.01 3.27 -0.02 2.92 1.01 -0.22 -0.07 120.40 127.30 3iqx s VAL 154 Ca -0.03 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 3iqx s VAL 154 Cb -0.14 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3iqx s VAL 154 CO 0.04 0.35 0.30 -0.36 0.00 0.00 0.00 175.10 175.42 3iqx s PHE 155 N 1.44 3.63 -0.03 5.22 0.08 0.38 -1.21 117.98 127.49 3iqx s PHE 155 Ca 0.04 0.73 0.07 0.00 0.12 0.00 0.00 56.93 57.89 3iqx s PHE 155 Cb -0.15 -2.10 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 3iqx s PHE 155 CO -0.03 0.64 -0.24 0.34 -0.10 0.00 0.00 175.22 175.83 3iqx s ASP 156 N -1.34 3.22 0.28 1.36 3.68 0.16 -3.00 116.67 121.04 3iqx s ASP 156 Ca 0.24 -0.43 -0.20 0.00 2.13 0.00 0.00 52.55 54.28 3iqx s ASP 156 Cb -0.14 -0.54 0.04 0.00 -1.45 0.00 0.00 42.92 40.83 3iqx s ASP 156 CO 0.12 0.31 0.81 0.42 0.13 0.00 0.00 175.17 176.96 3iqx s THR 157 N -0.52 0.00 0.24 1.71 -4.23 -1.26 -1.28 115.64 110.30 3iqx s THR 157 Ca 0.07 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.37 3iqx s THR 157 Cb -0.11 -2.36 -0.14 0.00 1.34 0.00 0.00 72.50 71.23 3iqx s THR 157 CO 0.00 0.00 1.27 0.00 -0.54 0.00 0.00 174.62 175.36 3iqx n ALA 158 N -0.51 0.48 -0.77 3.99 0.00 -1.26 -4.73 120.51 117.71 3iqx n ALA 158 Ca -0.06 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 3iqx n ALA 158 Cb 0.60 -2.17 0.13 0.00 0.00 0.00 0.00 19.45 18.00 3iqx n ALA 158 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3iqx n PRO 159 N 1.57 -1.09 -0.54 0.00 -0.04 -1.26 -3.46 135.00 130.19 3iqx n PRO 159 Ca 0.11 -0.31 0.42 0.00 -0.04 0.00 0.00 63.50 63.68 3iqx n PRO 159 Cb 0.30 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 32.90 3iqx n PRO 159 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3iqx n THR 160 N -4.10 0.00 0.03 0.52 -1.04 -1.21 -1.57 114.28 106.92 3iqx n THR 160 Ca 0.00 1.22 -0.03 0.00 -2.04 0.00 0.00 64.05 63.20 3iqx n THR 160 Cb 0.65 -2.05 -0.02 0.00 -1.82 0.00 0.00 70.33 67.10 3iqx n THR 160 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3iqx h GLY 161 N 0.00 -1.02 0.94 3.41 0.00 -1.91 0.25 103.07 104.73 3iqx h GLY 161 Ca 0.74 0.46 0.01 0.00 0.00 0.00 0.00 47.33 48.53 3iqx h GLY 161 CO -0.01 -0.36 0.18 0.45 0.00 0.00 0.00 176.54 176.79 3iqx h HIS 162 N -0.15 0.33 -0.75 5.60 3.86 -1.42 -0.17 115.15 122.44 3iqx h HIS 162 Ca -0.01 0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.36 3iqx h HIS 162 Cb 0.14 -0.11 -0.14 0.00 1.06 0.00 0.00 27.41 28.37 3iqx h HIS 162 CO -0.22 0.20 -0.25 1.15 0.86 0.00 0.00 177.93 179.67 3iqx h THR 163 N 0.36 0.18 0.30 2.45 2.02 -1.43 -1.62 112.91 115.17 3iqx h THR 163 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3iqx h THR 163 Cb -0.00 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3iqx h THR 163 CO -0.05 0.00 -0.24 0.25 0.37 0.00 0.00 175.52 175.84 3iqx h LEU 164 N -0.04 -0.65 -0.92 2.58 7.12 0.13 -2.71 115.31 120.81 3iqx h LEU 164 Ca 0.33 0.05 0.22 0.00 0.13 0.00 0.00 57.88 58.62 3iqx h LEU 164 Cb 0.57 0.21 -0.12 0.00 -0.53 0.00 0.00 40.66 40.78 3iqx h LEU 164 CO -0.79 -0.34 0.45 0.03 -0.13 0.00 0.00 178.44 177.66 3iqx h ARG 165 N -0.53 0.45 0.18 1.25 3.08 -0.77 -0.01 114.38 118.03 3iqx h ARG 165 Ca -0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3iqx h ARG 165 Cb 0.44 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3iqx h ARG 165 CO -0.00 0.29 -0.23 0.35 -1.07 0.00 0.00 179.97 179.32 3iqx h PHE 166 N 0.46 -0.60 -0.58 3.04 3.57 -1.12 -2.16 116.94 119.56 3iqx h PHE 166 Ca 0.58 0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.19 3iqx h PHE 166 Cb 1.09 0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.99 3iqx h PHE 166 CO -0.10 -0.33 0.13 -0.07 -2.23 0.00 0.00 178.31 175.71 3iqx h LEU 167 N -0.46 0.03 -0.55 0.59 3.38 -0.69 -1.88 115.31 115.73 3iqx h LEU 167 Ca 0.01 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.19 3iqx h LEU 167 Cb 0.45 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 3iqx h LEU 167 CO -0.08 0.03 -0.10 1.56 0.09 0.00 0.00 178.44 179.94 3iqx h GLN 168 N 0.27 0.03 0.00 1.13 4.20 -1.00 -3.31 115.11 116.44 3iqx h GLN 168 Ca 0.30 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3iqx h GLN 168 Cb 0.42 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3iqx h GLN 168 CO -0.37 0.02 0.00 0.34 -0.67 0.00 0.00 178.83 178.15 3iqx n PHE 169 N -5.35 0.00 -0.40 2.96 -0.00 -0.71 -2.29 117.46 111.68 3iqx n PHE 169 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.44 3iqx n PHE 169 Cb 0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.73 3iqx n PHE 169 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3iqx n PRO 170 N -1.74 -0.35 -0.01 -7.13 -0.02 -1.25 0.63 135.00 125.14 3iqx n PRO 170 Ca 0.00 1.49 0.22 0.00 -2.02 0.00 0.00 63.50 63.19 3iqx n PRO 170 Cb 0.00 -2.21 0.71 0.00 -0.02 0.00 0.00 33.50 31.99 3iqx n PRO 170 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3iqx h THR 171 N 0.00 0.63 0.53 3.45 1.35 -1.71 -1.30 112.91 115.86 3iqx h THR 171 Ca 0.23 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.08 3iqx h THR 171 Cb 0.48 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 3iqx h THR 171 CO -0.94 0.00 -0.40 0.58 -0.25 0.00 0.00 175.52 174.51 3iqx h VAL 172 N 0.00 0.20 -0.05 6.82 2.07 1.86 -2.62 116.25 124.53 3iqx h VAL 172 Ca 0.27 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 3iqx h VAL 172 Cb 1.12 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3iqx h VAL 172 CO -0.00 0.00 -0.22 -0.07 0.02 0.00 0.00 177.57 177.29 3iqx h LEU 173 N -0.90 0.08 0.00 2.57 4.07 -0.86 -3.51 115.31 116.76 3iqx h LEU 173 Ca -0.06 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3iqx h LEU 173 Cb 0.76 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.48 3iqx h LEU 173 CO 0.01 0.31 0.00 -0.62 -1.08 0.00 0.00 178.44 177.06 3iqx n GLU 174 N -4.24 0.00 0.00 1.13 1.02 -0.79 -5.15 120.64 112.62 3iqx n GLU 174 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3iqx n GLU 174 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 3iqx n GLU 174 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3iqx n MET 211 N 0.00 0.00 0.16 3.49 0.00 -1.26 -4.89 117.12 114.62 3iqx n MET 211 Ca 0.00 0.42 0.11 0.00 0.00 0.00 0.00 57.70 58.23 3iqx n MET 211 Cb 0.00 -1.30 0.57 0.00 0.00 0.00 0.00 33.22 32.49 3iqx n MET 211 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 3iqx n GLU 212 N -1.77 0.14 0.17 0.03 -0.00 -1.26 0.62 120.64 118.58 3iqx n GLU 212 Ca 0.00 0.62 0.06 0.00 -0.00 0.00 0.00 57.16 57.84 3iqx n GLU 212 Cb 0.00 -1.94 0.16 0.00 -0.00 0.00 0.00 31.44 29.65 3iqx n GLU 212 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3iqx h LYS 213 N 0.00 0.00 0.88 3.44 1.57 -2.05 0.27 116.57 120.68 3iqx h LYS 213 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3iqx h LYS 213 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3iqx h LYS 213 CO 0.00 0.36 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.68 3iqx h LEU 214 N 0.00 -1.23 -1.72 2.94 4.07 -0.26 -0.14 115.31 118.98 3iqx h LEU 214 Ca -0.00 0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.05 3iqx h LEU 214 Cb 1.17 0.34 -0.02 0.00 1.08 0.00 0.00 40.66 43.23 3iqx h LEU 214 CO 0.05 -0.78 0.25 -0.78 -1.08 0.00 0.00 178.44 176.09 3iqx h ASP 215 N -1.27 0.31 -0.33 -0.43 1.82 -1.41 -1.11 116.42 114.00 3iqx h ASP 215 Ca -0.12 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.50 3iqx h ASP 215 Cb 1.00 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 3iqx h ASP 215 CO 0.15 0.22 0.13 0.77 -1.61 0.00 0.00 179.24 178.90 3iqx h SER 216 N 0.36 0.46 0.08 2.28 4.64 -0.08 0.12 113.55 121.42 3iqx h SER 216 Ca 0.15 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3iqx h SER 216 Cb 0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3iqx h SER 216 CO -0.03 0.50 -0.04 0.25 -0.87 0.00 0.00 176.83 176.64 3iqx h LEU 217 N 0.39 -0.09 -0.56 5.97 5.85 -0.57 -2.88 115.31 123.41 3iqx h LEU 217 Ca 0.11 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.86 3iqx h LEU 217 Cb 0.18 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.13 3iqx h LEU 217 CO -0.01 0.00 -0.40 -0.09 -0.34 0.00 0.00 178.44 177.60 3iqx h ARG 218 N -0.18 -0.21 -0.20 1.25 1.12 -0.93 -0.93 114.38 114.30 3iqx h ARG 218 Ca -0.01 0.01 0.02 0.00 -1.11 0.00 0.00 59.98 58.90 3iqx h ARG 218 Cb 0.15 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.12 3iqx h ARG 218 CO 0.02 -0.14 -0.27 0.28 -3.11 0.00 0.00 179.97 176.74 3iqx h VAL 219 N -0.22 0.00 -0.12 0.20 2.07 -0.61 0.46 116.25 118.04 3iqx h VAL 219 Ca 0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.75 3iqx h VAL 219 Cb 0.56 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3iqx h VAL 219 CO -0.67 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 176.81 3iqx h THR 220 N -0.20 0.70 -0.59 2.57 1.03 -1.20 0.45 112.91 115.67 3iqx h THR 220 Ca 0.03 0.00 0.12 0.00 -0.01 0.00 0.00 66.41 66.55 3iqx h THR 220 Cb 0.29 0.70 -0.12 0.00 -1.07 0.00 0.00 68.15 67.96 3iqx h THR 220 CO -0.29 0.00 -0.22 0.40 -0.01 0.00 0.00 175.52 175.40 3iqx h ILE 221 N -0.12 0.31 -0.43 0.00 2.04 -0.53 0.28 117.51 119.06 3iqx h ILE 221 Ca 0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 3iqx h ILE 221 Cb 0.24 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 3iqx h ILE 221 CO -0.19 0.00 -0.02 0.28 0.00 0.00 0.00 178.15 178.22 3iqx h SER 222 N -0.07 -0.22 -0.16 1.72 0.02 0.99 0.24 113.55 116.07 3iqx h SER 222 Ca 0.27 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.37 3iqx h SER 222 Cb 0.49 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 3iqx h SER 222 CO -0.64 -0.07 -0.08 -0.33 -1.14 0.00 0.00 176.83 174.57 3iqx h GLU 223 N 0.09 -0.06 -0.74 3.45 5.08 0.14 -2.14 114.58 120.40 3iqx h GLU 223 Ca 0.21 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3iqx h GLU 223 Cb 0.31 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 3iqx h GLU 223 CO -0.37 -0.04 0.47 -0.24 -1.00 0.00 0.00 179.01 177.83 3iqx h VAL 224 N -0.06 1.09 -0.62 3.13 3.04 0.21 -0.54 116.25 122.50 3iqx h VAL 224 Ca 0.09 -0.31 0.04 0.00 -1.01 0.00 0.00 66.70 65.50 3iqx h VAL 224 Cb 0.19 0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 29.54 3iqx h VAL 224 CO -0.20 0.16 0.37 -1.13 -1.01 0.00 0.00 177.57 175.77 3iqx h ASN 225 N 0.90 0.59 -0.83 3.17 -1.24 -0.23 -1.32 115.58 116.63 3iqx h ASN 225 Ca 0.30 0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.35 3iqx h ASN 225 Cb 0.04 -0.11 -0.05 0.00 0.73 0.00 0.00 38.32 38.92 3iqx h ASN 225 CO -0.12 0.40 0.54 0.00 -1.29 0.00 0.00 177.43 176.96 3iqx h ALA 226 N 1.29 1.09 -0.44 1.57 0.00 -0.48 0.10 119.26 122.39 3iqx h ALA 226 Ca 0.26 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3iqx h ALA 226 Cb 0.06 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 3iqx h ALA 226 CO -0.12 0.38 0.11 1.96 0.00 0.00 0.00 179.25 181.57 3iqx h GLN 227 N 1.05 0.24 -0.15 0.00 4.20 -0.67 0.41 115.11 120.19 3iqx h GLN 227 Ca 0.33 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.07 3iqx h GLN 227 Cb -0.01 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 3iqx h GLN 227 CO -0.11 0.16 -0.15 0.74 -0.67 0.00 0.00 178.83 178.80 3iqx h PHE 228 N 0.25 -0.38 -0.35 2.96 0.04 0.20 -2.59 116.94 117.08 3iqx h PHE 228 Ca 0.21 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.90 3iqx h PHE 228 Cb 0.25 0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3iqx h PHE 228 CO -0.20 -0.22 -0.21 0.87 -0.60 0.00 0.00 178.31 177.95 3iqx h LYS 229 N -0.17 0.67 -6.17 1.51 1.57 0.48 -3.41 116.57 111.05 3iqx h LYS 229 Ca 0.10 -0.25 -0.67 0.00 -1.87 0.00 0.00 60.65 57.96 3iqx h LYS 229 Cb 0.32 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.60 3iqx h LYS 229 CO -0.26 0.83 1.11 -3.47 -0.57 0.00 0.00 179.45 177.09 3iqx n ASP 230 N -4.12 2.84 -1.63 0.86 -0.08 0.13 -4.71 116.55 109.84 3iqx n ASP 230 Ca 0.00 0.88 -0.02 0.00 -1.51 0.00 0.00 54.79 54.14 3iqx n ASP 230 Cb 0.41 -1.28 0.25 0.00 2.34 0.00 0.00 41.12 42.84 3iqx n ASP 230 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 3iqx n GLU 231 N 6.60 3.27 0.06 -0.67 0.00 -1.26 -3.24 120.64 125.40 3iqx n GLU 231 Ca 0.28 -2.26 0.09 0.00 0.00 0.00 0.00 57.16 55.27 3iqx n GLU 231 Cb 0.23 -2.00 -0.06 0.00 0.00 0.00 0.00 31.44 29.61 3iqx n GLU 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3iqx n ARG 232 N 0.11 0.62 -0.02 3.44 1.74 -1.26 -4.51 116.66 116.79 3iqx n ARG 232 Ca 0.27 0.05 0.04 0.00 -0.77 0.00 0.00 57.85 57.44 3iqx n ARG 232 Cb 1.06 -1.74 -0.10 0.00 -1.02 0.00 0.00 32.46 30.67 3iqx n ARG 232 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3iqx n LEU 233 N -2.60 0.00 -3.68 0.55 4.77 -1.20 -1.95 117.00 112.90 3iqx n LEU 233 Ca -0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 3iqx n LEU 233 Cb 0.60 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.64 3iqx n LEU 233 CO 0.42 0.06 -0.01 -0.89 -1.33 0.00 0.00 177.39 175.64 3iqx s THR 234 N -2.78 -0.36 0.35 -5.08 2.01 -1.22 0.00 115.64 108.55 3iqx s THR 234 Ca -0.05 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.15 3iqx s THR 234 Cb 0.07 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3iqx s THR 234 CO 0.53 0.07 0.11 0.42 -0.69 0.00 0.00 174.62 175.06 3iqx s THR 235 N 2.09 0.73 0.08 -0.82 -4.23 -1.15 -4.34 115.64 107.99 3iqx s THR 235 Ca -0.04 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.55 3iqx s THR 235 Cb -0.11 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 3iqx s THR 235 CO -0.12 0.00 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.41 3iqx s PHE 236 N -3.37 2.52 -0.06 3.99 0.08 -1.12 -1.46 117.98 118.55 3iqx s PHE 236 Ca 0.31 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.07 3iqx s PHE 236 Cb 0.06 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 3iqx s PHE 236 CO 0.15 0.30 0.03 0.08 -0.10 0.00 0.00 175.22 175.68 3iqx s VAL 237 N -1.02 4.45 -0.24 -0.44 1.01 0.13 -3.97 120.40 120.31 3iqx s VAL 237 Ca 0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3iqx s VAL 237 Cb -0.10 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 3iqx s VAL 237 CO 0.07 0.52 0.02 0.00 0.00 0.00 0.00 175.10 175.72 3iqx s VAL 239 N 1.54 5.34 -0.13 0.00 1.01 0.14 -0.14 120.40 128.16 3iqx s VAL 239 Ca 0.05 -0.22 -0.34 0.00 0.00 0.00 0.00 61.98 61.47 3iqx s VAL 239 Cb -0.15 -3.61 0.14 0.00 0.00 0.00 0.00 36.38 32.75 3iqx s VAL 239 CO 0.00 0.16 1.28 0.00 0.00 0.00 0.00 175.10 176.55 3iqx s ILE 241 N -2.34 1.67 -0.62 0.00 -4.36 -1.26 0.13 121.20 114.42 3iqx s ILE 241 Ca 0.12 -2.17 -0.28 0.00 -0.26 0.00 0.00 60.65 58.07 3iqx s ILE 241 Cb 0.02 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.50 3iqx s ILE 241 CO -0.04 -0.44 1.35 -2.16 0.24 0.00 0.00 174.94 173.88 3iqx s PRO 242 N -3.69 3.29 0.00 0.37 0.04 -1.26 -4.31 135.00 129.43 3iqx s PRO 242 Ca 0.26 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.53 3iqx s PRO 242 Cb 0.02 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.43 3iqx s PRO 242 CO 0.09 -1.97 0.00 -0.85 0.04 0.00 0.00 177.00 174.31 3iqx n GLU 243 N 8.83 0.00 -0.05 4.56 -0.00 -1.26 -4.91 120.64 127.81 3iqx n GLU 243 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.16 57.17 3iqx n GLU 243 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 31.44 31.88 3iqx n GLU 243 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3iqx h PHE 244 N 0.00 -0.94 -0.06 -1.84 3.57 -2.01 -2.07 116.94 113.60 3iqx h PHE 244 Ca 0.00 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.56 3iqx h PHE 244 Cb 0.00 0.43 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3iqx h PHE 244 CO 0.00 -0.29 0.05 -0.07 -2.23 0.00 0.00 178.31 175.77 3iqx h LEU 245 N -0.26 0.00 0.04 0.59 3.38 -1.98 -2.51 115.31 114.58 3iqx h LEU 245 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3iqx h LEU 245 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3iqx h LEU 245 CO -0.30 0.00 -0.02 -1.28 0.09 0.00 0.00 178.44 176.93 3iqx h SER 246 N 0.00 -0.05 -0.05 -0.43 0.87 -1.65 -3.23 113.55 109.01 3iqx h SER 246 Ca 0.03 -0.63 0.01 0.00 -1.23 0.00 0.00 61.79 59.98 3iqx h SER 246 Cb 0.12 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3iqx h SER 246 CO -0.00 0.70 0.05 -0.07 -0.53 0.00 0.00 176.83 176.98 3iqx h LEU 247 N -0.90 0.00 -1.25 2.23 3.38 -1.41 0.13 115.31 117.49 3iqx h LEU 247 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3iqx h LEU 247 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3iqx h LEU 247 CO 0.01 0.00 -0.22 0.22 0.09 0.00 0.00 178.44 178.54 3iqx h TYR 248 N 0.00 0.00 0.12 1.13 3.20 -1.47 -1.17 116.97 118.77 3iqx h TYR 248 Ca 0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3iqx h TYR 248 Cb 0.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3iqx h TYR 248 CO 0.00 0.22 -0.06 1.49 -1.64 0.00 0.00 178.16 178.17 3iqx h GLU 249 N 0.00 -0.15 -1.67 1.82 4.81 -0.81 -2.80 114.58 115.79 3iqx h GLU 249 Ca -0.00 0.01 0.52 0.00 -0.13 0.00 0.00 59.36 59.76 3iqx h GLU 249 Cb 0.68 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.00 3iqx h GLU 249 CO 0.03 -0.10 1.15 2.41 -0.73 0.00 0.00 179.01 181.77 3iqx n THR 250 N -4.77 -0.11 0.00 0.32 -1.04 -0.95 0.97 114.28 108.69 3iqx n THR 250 Ca -0.02 1.59 -0.00 0.00 -2.04 0.00 0.00 64.05 63.58 3iqx n THR 250 Cb 0.06 -2.63 -0.00 0.00 -1.82 0.00 0.00 70.33 65.94 3iqx n THR 250 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3iqx h GLU 251 N 0.00 -0.00 -0.59 -2.82 5.08 -1.25 -2.08 114.58 112.92 3iqx h GLU 251 Ca 0.89 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 59.36 3iqx h GLU 251 Cb 3.28 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 32.41 3iqx h GLU 251 CO -0.21 -0.00 -0.33 -0.09 -1.00 0.00 0.00 179.01 177.38 3iqx h ARG 252 N -0.00 -0.15 -0.13 2.33 2.43 0.06 -1.18 114.38 117.73 3iqx h ARG 252 Ca -0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3iqx h ARG 252 Cb 0.00 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3iqx h ARG 252 CO 0.00 -0.10 -0.13 1.98 -1.51 0.00 0.00 179.97 180.21 3iqx h MET 253 N -0.16 -0.06 -1.10 0.20 4.05 0.48 0.22 114.93 118.56 3iqx h MET 253 Ca 0.23 0.00 0.43 0.00 -0.28 0.00 0.00 59.70 60.09 3iqx h MET 253 Cb 0.55 0.01 -0.17 0.00 -0.80 0.00 0.00 31.60 31.20 3iqx h MET 253 CO -0.68 -0.04 0.64 0.82 0.23 0.00 0.00 176.91 177.87 3iqx h ILE 254 N -0.07 0.01 -0.12 1.77 2.04 -0.51 0.36 117.51 121.00 3iqx h ILE 254 Ca 0.02 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.77 3iqx h ILE 254 Cb 0.13 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3iqx h ILE 254 CO -0.16 0.00 -0.35 -0.61 0.00 0.00 0.00 178.15 177.03 3iqx h GLN 255 N 0.01 0.44 -0.29 2.37 5.75 0.36 -0.71 115.11 123.04 3iqx h GLN 255 Ca 0.86 -0.32 -0.08 0.00 -0.15 0.00 0.00 58.65 58.95 3iqx h GLN 255 Cb 2.40 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 30.99 3iqx h GLN 255 CO -0.68 0.94 -0.17 0.93 -2.65 0.00 0.00 178.83 177.19 3iqx h GLU 256 N 0.03 0.52 -0.82 1.69 4.39 0.10 0.15 114.58 120.64 3iqx h GLU 256 Ca -0.01 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.54 3iqx h GLU 256 Cb 0.97 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.53 3iqx h GLU 256 CO 0.07 0.67 0.53 -0.07 -1.16 0.00 0.00 179.01 179.06 3iqx h LEU 257 N 0.47 0.91 0.27 1.33 3.38 -0.93 0.25 115.31 120.99 3iqx h LEU 257 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3iqx h LEU 257 Cb 0.57 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3iqx h LEU 257 CO 0.04 0.65 -0.13 0.00 0.09 0.00 0.00 178.44 179.09 3iqx h ALA 258 N 1.31 -0.36 -0.25 1.53 0.00 -0.65 0.11 119.26 120.95 3iqx h ALA 258 Ca 0.31 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3iqx h ALA 258 Cb -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3iqx h ALA 258 CO -0.08 -0.70 0.17 -0.91 0.00 0.00 0.00 179.25 177.73 3iqx h ASN 259 N -0.36 0.16 -0.28 0.00 2.35 0.82 -1.79 115.58 116.47 3iqx h ASN 259 Ca -0.04 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3iqx h ASN 259 Cb 0.28 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3iqx h ASN 259 CO 0.06 0.11 0.00 -1.22 -1.65 0.00 0.00 177.43 174.73 3iqx n TYR 260 N -4.49 0.37 -2.20 1.19 4.01 0.72 -4.93 117.16 111.83 3iqx n TYR 260 Ca 0.02 -0.18 -0.07 0.00 -0.16 0.00 0.00 57.90 57.50 3iqx n TYR 260 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.23 3iqx n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iqx n GLY 261 N 1.30 0.10 3.65 2.72 0.00 -0.67 -4.88 105.19 107.40 3iqx n GLY 261 Ca 0.17 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3iqx n GLY 261 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iqx s ILE 262 N -2.42 4.02 0.34 -0.61 1.01 0.36 -4.44 121.20 119.46 3iqx s ILE 262 Ca 0.02 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 59.92 3iqx s ILE 262 Cb -0.01 -2.72 -0.10 0.00 0.01 0.00 0.00 42.46 39.65 3iqx s ILE 262 CO 0.02 0.50 0.98 -0.62 0.00 0.00 0.00 174.94 175.82 3iqx s ASP 263 N -1.16 7.19 -0.29 3.58 -1.08 -1.26 -4.13 116.67 119.52 3iqx s ASP 263 Ca 0.16 1.91 -0.14 0.00 -0.52 0.00 0.00 52.55 53.95 3iqx s ASP 263 Cb -0.11 -2.58 0.13 0.00 -1.46 0.00 0.00 42.92 38.89 3iqx s ASP 263 CO 0.05 -0.18 0.82 0.28 0.52 0.00 0.00 175.17 176.67 3iqx s THR 264 N -1.60 -0.37 -0.02 1.71 -1.32 -1.26 -2.80 115.64 109.97 3iqx s THR 264 Ca 0.52 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.13 3iqx s THR 264 Cb -0.20 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.01 3iqx s THR 264 CO 0.26 0.00 1.09 0.00 -2.21 0.00 0.00 174.62 173.76 3iqx n HIS 265 N 4.60 0.00 -4.17 9.09 1.44 -1.26 -4.97 115.22 119.96 3iqx n HIS 265 Ca -0.15 -0.35 -0.16 0.00 -2.01 0.00 0.00 57.72 55.05 3iqx n HIS 265 Cb 0.55 -0.11 -0.13 0.00 0.12 0.00 0.00 29.99 30.42 3iqx n HIS 265 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3iqx s ILE 267 N -0.69 0.35 -0.65 0.00 1.01 0.20 -1.79 121.20 119.62 3iqx s ILE 267 Ca -0.02 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.56 3iqx s ILE 267 Cb -0.06 -0.50 0.13 0.00 0.01 0.00 0.00 42.46 42.04 3iqx s ILE 267 CO 0.00 0.24 0.73 -0.69 0.00 0.00 0.00 174.94 175.23 3iqx s VAL 268 N 1.80 4.96 -0.18 2.92 1.01 0.81 0.73 120.40 132.44 3iqx s VAL 268 Ca 0.02 -1.32 -0.24 0.00 0.00 0.00 0.00 61.98 60.44 3iqx s VAL 268 Cb -0.13 -4.50 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 3iqx s VAL 268 CO -0.04 -1.13 0.78 -0.69 0.00 0.00 0.00 175.10 174.02 3iqx s VAL 269 N 2.21 4.91 0.14 2.92 1.01 0.50 -2.02 120.40 130.06 3iqx s VAL 269 Ca 0.14 1.51 0.08 0.00 0.00 0.00 0.00 61.98 63.71 3iqx s VAL 269 Cb -0.21 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3iqx s VAL 269 CO 0.02 0.04 -0.18 0.21 0.00 0.00 0.00 175.10 175.18 3iqx s ASN 270 N 1.19 2.51 0.00 3.32 2.47 0.12 -1.70 114.94 122.85 3iqx s ASN 270 Ca 0.35 -0.79 0.00 0.00 0.42 0.00 0.00 52.86 52.85 3iqx s ASN 270 Cb -0.16 -0.14 0.00 0.00 -1.45 0.00 0.00 41.25 39.50 3iqx s ASN 270 CO 0.11 -0.02 0.00 0.00 -3.72 0.00 0.00 177.10 173.47 3iqx n GLN 271 N 0.62 0.00 -1.68 0.43 6.02 -0.66 -4.36 117.38 117.74 3iqx n GLN 271 Ca -0.16 0.39 -0.40 0.00 -0.01 0.00 0.00 57.00 56.82 3iqx n GLN 271 Cb 0.56 -3.43 0.02 0.00 1.02 0.00 0.00 30.24 28.41 3iqx n GLN 271 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3iqx n LEU 272 N 0.00 4.09 -4.36 1.08 4.77 -0.71 -4.16 117.00 117.71 3iqx n LEU 272 Ca 0.00 1.03 -0.37 0.00 -0.03 0.00 0.00 56.01 56.64 3iqx n LEU 272 Cb 0.04 -1.48 -0.13 0.00 -2.33 0.00 0.00 43.42 39.53 3iqx n LEU 272 CO 0.00 -0.92 -0.28 -0.22 -1.33 0.00 0.00 177.39 174.64 3iqx s LEU 273 N -1.93 3.76 -0.17 2.23 0.20 -1.26 0.14 118.68 121.65 3iqx s LEU 273 Ca 0.65 -0.62 -0.06 0.00 0.69 0.00 0.00 54.13 54.80 3iqx s LEU 273 Cb -0.48 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.36 3iqx s LEU 273 CO 0.54 -0.16 0.02 -0.36 -0.29 0.00 0.00 176.35 176.10 3iqx s PHE 274 N 1.52 3.16 0.43 5.38 0.08 -1.26 -4.55 117.98 122.73 3iqx s PHE 274 Ca 0.03 -0.08 -0.24 0.00 0.12 0.00 0.00 56.93 56.76 3iqx s PHE 274 Cb -0.17 -2.02 -0.08 0.00 -0.57 0.00 0.00 43.02 40.18 3iqx s PHE 274 CO 0.02 0.08 1.18 -2.14 -0.10 0.00 0.00 175.22 174.27 3iqx s PRO 275 N 0.34 3.89 0.24 0.24 0.02 -1.26 -4.93 135.00 133.54 3iqx s PRO 275 Ca 0.00 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 62.54 3iqx s PRO 275 Cb -0.13 -2.54 -0.12 0.00 0.02 0.00 0.00 34.50 31.73 3iqx s PRO 275 CO 0.01 -0.46 1.66 0.15 -0.33 0.00 0.00 177.00 178.04 3iqx s LYS 276 N -2.50 4.13 0.62 5.54 1.02 -1.26 -4.91 119.74 122.37 3iqx s LYS 276 Ca 0.60 2.59 -0.19 0.00 0.02 0.00 0.00 55.97 59.00 3iqx s LYS 276 Cb -0.30 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 3iqx s LYS 276 CO 0.37 -0.70 1.23 -0.35 -0.92 0.00 0.00 175.35 174.98 3iqx n PRO 277 N 3.22 1.17 0.00 -1.68 -0.04 -1.26 -2.47 135.00 133.94 3iqx n PRO 277 Ca 0.13 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 3iqx n PRO 277 Cb 0.36 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 3iqx n PRO 277 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iqx n GLY 278 N 0.98 1.83 3.81 0.55 0.00 -1.26 -5.02 105.19 106.08 3iqx n GLY 278 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3iqx n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iqx s SER 279 N -2.93 6.52 -0.18 1.61 0.01 -1.03 -5.06 113.70 112.63 3iqx s SER 279 Ca 0.00 0.61 -0.05 0.00 1.31 0.00 0.00 55.95 57.82 3iqx s SER 279 Cb 0.00 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 3iqx s SER 279 CO 0.00 0.28 -0.00 1.51 0.41 0.00 0.00 173.24 175.44 3iqx s ASP 280 N -0.53 4.93 -0.29 2.44 1.47 -1.26 -4.94 116.67 118.49 3iqx s ASP 280 Ca 0.18 -0.14 0.04 0.00 1.18 0.00 0.00 52.55 53.81 3iqx s ASP 280 Cb -0.14 -1.83 0.20 0.00 -0.34 0.00 0.00 42.92 40.81 3iqx s ASP 280 CO 0.06 0.12 0.62 0.00 0.68 0.00 0.00 175.17 176.65 3iqx n GLU 282 N 5.41 -0.04 0.11 0.00 1.02 -1.26 -0.77 120.64 125.11 3iqx n GLU 282 Ca 0.04 0.66 -0.15 0.00 -0.02 0.00 0.00 57.16 57.69 3iqx n GLU 282 Cb 0.54 -0.98 -0.08 0.00 -0.02 0.00 0.00 31.44 30.90 3iqx n GLU 282 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3iqx h GLN 283 N 0.00 -0.65 -0.70 3.49 4.20 -1.98 0.30 115.11 119.76 3iqx h GLN 283 Ca 0.01 0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.90 3iqx h GLN 283 Cb 0.03 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 27.87 3iqx h GLN 283 CO -0.08 -0.43 0.25 0.00 -0.67 0.00 0.00 178.83 177.90 3iqx h THR 285 N 0.40 0.00 -1.05 0.00 2.02 0.78 -1.17 112.91 113.89 3iqx h THR 285 Ca 0.38 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.85 3iqx h THR 285 Cb 0.56 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.85 3iqx h THR 285 CO -0.39 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.14 3iqx h ALA 286 N -1.25 2.08 0.01 6.16 0.00 -0.12 0.17 119.26 126.31 3iqx h ALA 286 Ca -0.07 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iqx h ALA 286 Cb 0.73 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3iqx h ALA 286 CO 0.03 -0.58 -0.00 0.00 0.00 0.00 0.00 179.25 178.70 3iqx h ARG 287 N 0.41 -0.01 -0.91 0.00 3.08 -0.75 -0.04 114.38 116.15 3iqx h ARG 287 Ca 0.67 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.88 3iqx h ARG 287 Cb 1.57 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.55 3iqx h ARG 287 CO -0.44 0.67 0.59 -0.09 -1.07 0.00 0.00 179.97 179.63 3iqx h ARG 288 N -0.71 0.63 0.00 0.04 1.12 -0.58 0.58 114.38 115.46 3iqx h ARG 288 Ca -0.00 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3iqx h ARG 288 Cb 0.68 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 3iqx h ARG 288 CO 0.00 0.42 0.00 -2.13 -3.11 0.00 0.00 179.97 175.15 3iqx n ARG 289 N -4.58 0.00 -0.27 0.20 0.63 -0.01 -0.03 116.66 112.59 3iqx n ARG 289 Ca 0.19 0.58 0.07 0.00 -0.92 0.00 0.00 57.85 57.77 3iqx n ARG 289 Cb 0.52 -1.47 0.22 0.00 0.45 0.00 0.00 32.46 32.19 3iqx n ARG 289 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3iqx h MET 290 N 0.00 0.41 0.56 -0.14 -0.00 0.52 -1.51 114.93 114.77 3iqx h MET 290 Ca 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.65 3iqx h MET 290 Cb 0.00 -0.09 0.01 0.00 -0.00 0.00 0.00 31.60 31.51 3iqx h MET 290 CO 0.00 0.27 -0.27 1.96 -0.00 0.00 0.00 176.91 178.88 3iqx h GLN 291 N 0.43 -0.72 -0.45 -0.10 4.20 0.09 -3.15 115.11 115.40 3iqx h GLN 291 Ca 0.46 0.05 0.04 0.00 0.06 0.00 0.00 58.65 59.26 3iqx h GLN 291 Cb 0.75 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.64 3iqx h GLN 291 CO -0.45 -0.44 -0.26 1.17 -0.67 0.00 0.00 178.83 178.19 3iqx n LYS 292 N -5.28 -0.19 -0.35 1.46 0.00 0.95 0.24 118.16 114.99 3iqx n LYS 292 Ca -0.10 0.68 -0.06 0.00 0.00 0.00 0.00 58.31 58.83 3iqx n LYS 292 Cb 0.32 -1.00 -0.02 0.00 0.00 0.00 0.00 35.03 34.33 3iqx n LYS 292 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 3iqx h LYS 293 N 0.00 -0.05 0.08 1.64 3.64 -1.26 0.14 116.57 120.76 3iqx h LYS 293 Ca 0.08 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3iqx h LYS 293 Cb 0.19 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3iqx h LYS 293 CO -0.42 -0.03 -0.40 1.88 -2.27 0.00 0.00 179.45 178.20 3iqx h TYR 294 N -0.05 -1.12 -0.11 1.91 0.05 -0.26 -3.13 116.97 114.25 3iqx h TYR 294 Ca 0.25 0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.08 3iqx h TYR 294 Cb 0.54 0.48 -0.03 0.00 1.01 0.00 0.00 36.73 38.73 3iqx h TYR 294 CO -0.88 -0.50 -0.19 1.25 -1.05 0.00 0.00 178.16 176.79 3iqx h LEU 295 N -0.61 -0.63 -0.52 3.88 6.46 0.26 0.17 115.31 124.32 3iqx h LEU 295 Ca 0.03 0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.96 3iqx h LEU 295 Cb 0.65 0.26 -0.09 0.00 -0.73 0.00 0.00 40.66 40.75 3iqx h LEU 295 CO -0.26 -0.15 -0.19 0.47 -0.62 0.00 0.00 178.44 177.69 3iqx n ASP 296 N -3.61 -0.32 0.08 1.25 8.00 -0.48 0.36 116.55 121.83 3iqx n ASP 296 Ca -0.02 0.91 -0.06 0.00 0.71 0.00 0.00 54.79 56.33 3iqx n ASP 296 Cb 0.12 -0.22 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 3iqx n ASP 296 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3iqx h GLN 297 N 0.00 -0.31 -0.75 -1.24 4.20 -0.67 0.05 115.11 116.39 3iqx h GLN 297 Ca 0.19 0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.04 3iqx h GLN 297 Cb 0.32 0.07 -0.12 0.00 0.30 0.00 0.00 27.48 28.05 3iqx h GLN 297 CO -0.52 -0.21 -0.29 -0.89 -0.67 0.00 0.00 178.83 176.25 3iqx n ILE 298 N -3.49 -0.39 0.06 2.54 2.08 0.16 0.50 119.36 120.82 3iqx n ILE 298 Ca -0.04 1.75 -0.12 0.00 0.56 0.00 0.00 62.75 64.90 3iqx n ILE 298 Cb 0.16 -2.31 -0.07 0.00 -0.75 0.00 0.00 39.64 36.67 3iqx n ILE 298 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3iqx h GLU 299 N 0.00 -0.50 -0.56 0.38 4.39 -0.69 0.15 114.58 117.75 3iqx h GLU 299 Ca 0.26 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.09 3iqx h GLU 299 Cb 0.45 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.14 3iqx h GLU 299 CO -0.74 -0.33 0.14 0.93 -1.16 0.00 0.00 179.01 177.85 3iqx h GLU 300 N -0.52 0.27 0.05 2.33 4.39 0.21 2.96 114.58 124.27 3iqx h GLU 300 Ca 0.00 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3iqx h GLU 300 Cb 0.53 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3iqx h GLU 300 CO -0.23 0.18 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.67 3iqx h LEU 301 N 0.28 -0.17 -0.90 1.33 3.38 -0.42 -3.37 115.31 115.43 3iqx h LEU 301 Ca 0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3iqx h LEU 301 Cb 0.40 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3iqx h LEU 301 CO -0.35 -0.10 -0.05 -1.22 0.09 0.00 0.00 178.44 176.81 3iqx n TYR 302 N -5.18 0.00 -0.36 1.13 4.01 0.51 -4.68 117.16 112.60 3iqx n TYR 302 Ca -0.07 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.68 3iqx n TYR 302 Cb 0.11 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.21 3iqx n TYR 302 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3iqx h ASP 303 N 0.71 -1.23 0.54 7.72 3.58 0.51 -0.21 116.42 128.05 3iqx h ASP 303 Ca 0.00 0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.75 3iqx h ASP 303 Cb 0.17 0.69 0.00 0.00 1.72 0.00 0.00 39.33 41.91 3iqx h ASP 303 CO 0.00 -0.30 0.00 -0.62 -2.88 0.00 0.00 179.24 175.44 3iqx n GLU 304 N -5.52 0.24 0.00 0.28 1.02 -1.26 -3.01 120.64 112.39 3iqx n GLU 304 Ca 0.12 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3iqx n GLU 304 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3iqx n GLU 304 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3iqx n GLU 305 N -1.35 0.00 -4.37 3.49 1.02 -0.42 -4.39 120.64 114.62 3iqx n GLU 305 Ca 0.10 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.96 3iqx n GLU 305 Cb 0.21 -0.31 -0.17 0.00 -0.02 0.00 0.00 31.44 31.15 3iqx n GLU 305 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3iqx s PHE 306 N 0.00 1.82 -0.14 -0.32 0.08 -0.22 -4.79 117.98 114.41 3iqx s PHE 306 Ca 0.00 -0.84 -0.32 0.00 0.12 0.00 0.00 56.93 55.89 3iqx s PHE 306 Cb 0.00 -1.34 -0.09 0.00 -0.57 0.00 0.00 43.02 41.02 3iqx s PHE 306 CO 0.00 -0.46 2.04 0.09 -0.10 0.00 0.00 175.22 176.80 3iqx n ASN 307 N 4.27 3.33 -4.17 1.36 4.13 -0.20 -4.64 115.26 119.34 3iqx n ASN 307 Ca -0.19 0.66 -0.39 0.00 1.68 0.00 0.00 54.58 56.34 3iqx n ASN 307 Cb 0.51 -1.43 -0.08 0.00 -1.54 0.00 0.00 39.78 37.24 3iqx n ASN 307 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3iqx s VAL 308 N 5.81 4.11 0.15 2.41 1.01 -1.26 0.58 120.40 133.20 3iqx s VAL 308 Ca 0.97 -2.41 -0.21 0.00 0.00 0.00 0.00 61.98 60.33 3iqx s VAL 308 Cb -0.58 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 3iqx s VAL 308 CO 0.45 -0.85 0.68 -0.69 0.00 0.00 0.00 175.10 174.69 3iqx s VAL 309 N 0.56 4.58 -0.18 2.92 1.01 0.22 -4.60 120.40 124.92 3iqx s VAL 309 Ca 0.13 1.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 3iqx s VAL 309 Cb -0.21 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3iqx s VAL 309 CO -0.04 0.43 -0.14 -0.54 0.00 0.00 0.00 175.10 174.81 3iqx s LYS 310 N -1.42 3.20 -0.03 2.72 1.02 -1.26 -0.37 119.74 123.60 3iqx s LYS 310 Ca 0.36 -0.74 0.06 0.00 0.02 0.00 0.00 55.97 55.66 3iqx s LYS 310 Cb -0.20 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 3iqx s LYS 310 CO 0.22 -0.08 -0.20 -1.64 -0.92 0.00 0.00 175.35 172.73 3iqx s MET 311 N 1.07 1.84 0.33 1.68 -1.94 -0.69 -4.48 119.30 117.11 3iqx s MET 311 Ca -0.00 -0.71 -0.26 0.00 -1.71 0.00 0.00 55.69 53.00 3iqx s MET 311 Cb -0.14 -1.67 -0.09 0.00 2.01 0.00 0.00 34.83 34.93 3iqx s MET 311 CO -0.04 0.36 1.00 -1.25 -0.01 0.00 0.00 175.02 175.08 3iqx s PRO 312 N -0.25 4.50 -0.44 2.03 0.04 -1.26 -1.65 135.00 137.97 3iqx s PRO 312 Ca 0.02 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.26 3iqx s PRO 312 Cb -0.10 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.62 3iqx s PRO 312 CO 0.01 0.17 1.05 -1.17 0.04 0.00 0.00 177.00 177.11 3iqx s LEU 313 N -2.02 3.80 0.51 -3.56 2.96 0.12 -4.49 118.68 115.99 3iqx s LEU 313 Ca 0.50 0.46 -0.15 0.00 -0.22 0.00 0.00 54.13 54.73 3iqx s LEU 313 Cb -0.23 -3.43 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 3iqx s LEU 313 CO 0.29 -1.12 0.95 -0.76 -1.32 0.00 0.00 176.35 174.39 3iqx s LEU 314 N 4.08 3.62 0.16 -0.68 1.02 -1.26 -4.94 118.68 120.67 3iqx s LEU 314 Ca 0.44 1.46 -0.16 0.00 0.02 0.00 0.00 54.13 55.88 3iqx s LEU 314 Cb -0.09 -4.40 0.04 0.00 0.02 0.00 0.00 46.19 41.76 3iqx s LEU 314 CO 0.27 -0.58 1.79 -0.37 0.02 0.00 0.00 176.35 177.48 3iqx h VAL 315 N 0.79 1.03 -2.39 -1.59 -1.51 -2.02 -3.44 116.25 107.13 3iqx h VAL 315 Ca -0.47 -0.16 -0.50 0.00 -1.23 0.00 0.00 66.70 64.35 3iqx h VAL 315 Cb 1.19 0.54 -0.02 0.00 -2.13 0.00 0.00 31.29 30.87 3iqx h VAL 315 CO 0.62 0.08 -0.44 -1.61 -1.23 0.00 0.00 177.57 175.00 3iqx s GLU 316 N -6.16 3.44 0.72 5.19 0.41 -1.26 -5.06 118.70 115.99 3iqx s GLU 316 Ca -0.13 -0.67 -0.16 0.00 -0.41 0.00 0.00 54.97 53.60 3iqx s GLU 316 Cb 0.11 -2.92 -0.02 0.00 -1.78 0.00 0.00 34.13 29.52 3iqx s GLU 316 CO 0.72 0.46 0.70 0.39 -0.49 0.00 0.00 175.26 177.04 3iqx n GLU 317 N -1.02 0.37 -2.99 1.61 4.71 -1.26 -4.91 120.64 117.15 3iqx n GLU 317 Ca -0.08 0.17 -0.44 0.00 -0.01 0.00 0.00 57.16 56.80 3iqx n GLU 317 Cb 0.56 -1.97 -0.03 0.00 -1.01 0.00 0.00 31.44 28.98 3iqx n GLU 317 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3iqx s VAL 318 N -1.88 4.81 0.16 2.62 1.01 -1.26 -5.01 120.40 120.86 3iqx s VAL 318 Ca 0.68 -1.50 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3iqx s VAL 318 Cb -0.35 -4.70 -0.05 0.00 0.00 0.00 0.00 36.38 31.29 3iqx s VAL 318 CO 0.55 -1.40 -0.01 -0.13 0.00 0.00 0.00 175.10 174.11 3iqx s ARG 319 N 2.50 1.07 0.00 2.72 0.52 -1.26 -4.82 118.95 119.67 3iqx s ARG 319 Ca 0.27 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 3iqx s ARG 319 Cb -0.09 -0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.11 3iqx s ARG 319 CO -0.06 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.57 3iqx n GLY 320 N -0.21 -1.48 0.32 -3.53 0.00 -0.84 -3.29 105.19 96.15 3iqx n GLY 320 Ca -0.07 -1.34 0.05 0.00 0.00 0.00 0.00 46.02 44.66 3iqx n GLY 320 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iqx h LYS 321 N 0.00 0.75 0.80 1.61 3.64 -1.85 -0.90 116.57 120.63 3iqx h LYS 321 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3iqx h LYS 321 Cb 0.00 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3iqx h LYS 321 CO 0.00 0.50 -0.39 1.49 -2.27 0.00 0.00 179.45 178.78 3iqx h GLU 322 N 0.78 -1.04 -0.99 1.90 4.81 -1.99 0.06 114.58 118.11 3iqx h GLU 322 Ca 0.45 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.83 3iqx h GLU 322 Cb 0.50 0.24 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 3iqx h GLU 322 CO -0.29 -0.68 0.64 0.00 -0.73 0.00 0.00 179.01 177.94 3iqx h ARG 323 N -1.14 1.08 -0.52 1.92 3.08 -1.47 -2.60 114.38 114.72 3iqx h ARG 323 Ca -0.11 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 3iqx h ARG 323 Cb 0.84 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3iqx h ARG 323 CO 0.18 0.71 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.67 3iqx h LEU 324 N 1.11 0.95 -0.04 3.04 3.38 -0.67 -1.47 115.31 121.60 3iqx h LEU 324 Ca 0.45 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3iqx h LEU 324 Cb 0.26 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3iqx h LEU 324 CO -0.20 1.05 -0.44 -0.33 0.09 0.00 0.00 178.44 178.61 3iqx h GLU 325 N 0.83 -0.55 -0.30 1.13 5.08 -0.63 0.80 114.58 120.94 3iqx h GLU 325 Ca 0.14 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 3iqx h GLU 325 Cb 0.60 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.89 3iqx h GLU 325 CO 0.04 -0.36 -0.39 0.87 -1.00 0.00 0.00 179.01 178.16 3iqx h LYS 326 N -0.57 -0.35 -0.51 2.33 1.57 -1.14 0.56 116.57 118.46 3iqx h LYS 326 Ca 0.05 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3iqx h LYS 326 Cb 0.66 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 3iqx h LYS 326 CO -0.35 -0.23 0.03 0.35 -0.57 0.00 0.00 179.45 178.67 3iqx h PHE 327 N -0.36 0.02 -0.29 -1.35 3.57 -0.89 -1.31 116.94 116.32 3iqx h PHE 327 Ca 0.12 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.74 3iqx h PHE 327 Cb 0.58 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3iqx h PHE 327 CO -0.54 -0.09 0.24 0.66 -2.23 0.00 0.00 178.31 176.34 3iqx h SER 328 N 0.14 0.00 -0.28 0.41 4.64 0.14 -0.75 113.55 117.86 3iqx h SER 328 Ca 0.26 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.64 3iqx h SER 328 Cb 0.38 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.40 3iqx h SER 328 CO -0.40 0.00 -0.22 -0.33 -0.87 0.00 0.00 176.83 175.01 3iqx h GLU 329 N 0.00 -0.20 -0.73 4.77 4.39 -0.59 -1.92 114.58 120.31 3iqx h GLU 329 Ca 0.14 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.96 3iqx h GLU 329 Cb 0.62 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.26 3iqx h GLU 329 CO -0.00 -0.13 0.48 0.52 -1.16 0.00 0.00 179.01 178.72 3iqx h MET 330 N -0.20 0.55 -1.01 2.33 2.86 -1.22 0.86 114.93 119.10 3iqx h MET 330 Ca 0.15 -0.03 0.26 0.00 -2.06 0.00 0.00 59.70 58.02 3iqx h MET 330 Cb 0.43 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 3iqx h MET 330 CO -0.40 0.37 0.68 1.25 1.06 0.00 0.00 176.91 179.87 3iqx h LEU 331 N 0.57 0.28 0.00 1.22 5.85 -1.40 -2.80 115.31 119.04 3iqx h LEU 331 Ca 0.34 0.04 -0.33 0.00 0.84 0.00 0.00 57.88 58.77 3iqx h LEU 331 Cb 0.56 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 3iqx h LEU 331 CO -0.12 0.08 -2.25 -0.38 -0.34 0.00 0.00 178.44 175.42 3iqx n ILE 332 N -4.46 1.26 -3.80 4.05 2.08 0.28 -2.13 119.36 116.63 3iqx n ILE 332 Ca 0.23 -0.67 -0.27 0.00 0.56 0.00 0.00 62.75 62.60 3iqx n ILE 332 Cb 0.91 -0.80 -0.17 0.00 -0.75 0.00 0.00 39.64 38.84 3iqx n ILE 332 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3iqx s LYS 333 N -2.44 0.91 -0.36 0.38 1.02 0.15 -4.63 119.74 114.77 3iqx s LYS 333 Ca -0.17 -0.33 -0.45 0.00 0.02 0.00 0.00 55.97 55.04 3iqx s LYS 333 Cb 0.06 -1.81 -0.20 0.00 -0.52 0.00 0.00 37.83 35.36 3iqx s LYS 333 CO 0.66 -0.49 1.44 -2.30 -0.92 0.00 0.00 175.35 173.74 3iqx n PRO 334 N 5.01 0.00 -1.74 -1.68 -0.02 -1.23 -4.31 135.00 131.03 3iqx n PRO 334 Ca -0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.96 3iqx n PRO 334 Cb 0.48 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 3iqx n PRO 334 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3iqx s PHE 335 N 2.16 1.72 -0.33 6.00 5.36 -1.26 -4.93 117.98 126.70 3iqx s PHE 335 Ca 1.01 -0.19 -0.02 0.00 -0.96 0.00 0.00 56.93 56.77 3iqx s PHE 335 Cb -1.43 -4.17 0.12 0.00 -0.34 0.00 0.00 43.02 37.20 3iqx s PHE 335 CO 0.75 -5.05 0.17 0.14 -1.46 0.00 0.00 175.22 169.78 3iqx s VAL 336 N 3.71 0.15 -2.40 3.12 -7.23 -1.26 -4.99 120.40 111.49 3iqx s VAL 336 Ca 0.83 -1.35 0.19 0.00 -1.81 0.00 0.00 61.98 59.84 3iqx s VAL 336 Cb -0.43 -1.13 0.15 0.00 0.56 0.00 0.00 36.38 35.54 3iqx s VAL 336 CO 0.38 -0.87 1.11 -0.81 -0.31 0.00 0.00 175.10 174.60