#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqf s VAL 3 N 0.00 3.93 0.28 12.58 1.01 -1.26 -4.67 120.40 132.27 3iqf s VAL 3 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3iqf s VAL 3 Cb 0.00 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 3iqf s VAL 3 CO 0.00 0.15 1.05 0.00 0.00 0.00 0.00 175.10 176.30 3iqf s ALA 4 N 1.51 3.35 -0.02 5.51 0.00 0.05 -4.90 121.76 127.26 3iqf s ALA 4 Ca 0.03 0.80 0.07 0.00 0.00 0.00 0.00 51.96 52.86 3iqf s ALA 4 Cb -0.17 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3iqf s ALA 4 CO 0.02 -0.06 -0.22 0.15 0.00 0.00 0.00 175.76 175.65 3iqf s LYS 5 N -1.49 1.92 -0.00 0.00 1.02 -1.26 -0.81 119.74 119.12 3iqf s LYS 5 Ca 0.45 -0.80 -0.08 0.00 0.02 0.00 0.00 55.97 55.56 3iqf s LYS 5 Cb -0.29 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3iqf s LYS 5 CO 0.37 0.45 0.16 0.00 -0.92 0.00 0.00 175.35 175.41 3iqf s ALA 6 N -0.43 -0.38 -0.14 5.17 0.00 -0.96 0.31 121.76 125.34 3iqf s ALA 6 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 3iqf s ALA 6 Cb -0.10 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 3iqf s ALA 6 CO -0.00 -0.21 -0.02 0.42 0.00 0.00 0.00 175.76 175.95 3iqf s ILE 7 N -1.31 4.06 -0.15 0.00 1.01 -1.04 -1.61 121.20 122.16 3iqf s ILE 7 Ca -0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 3iqf s ILE 7 Cb -0.07 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 3iqf s ILE 7 CO 0.02 0.52 -0.00 -0.36 0.00 0.00 0.00 174.94 175.12 3iqf s PHE 8 N 0.03 3.12 -0.16 3.97 0.40 0.31 -0.47 117.98 125.19 3iqf s PHE 8 Ca 0.01 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 3iqf s PHE 8 Cb -0.13 -1.95 -0.00 0.00 0.51 0.00 0.00 43.02 41.45 3iqf s PHE 8 CO 0.02 0.14 -0.15 0.42 0.70 0.00 0.00 175.22 176.36 3iqf s ILE 9 N 0.05 2.68 -0.23 0.64 1.01 0.14 -1.28 121.20 124.21 3iqf s ILE 9 Ca 0.02 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3iqf s ILE 9 Cb -0.13 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.25 3iqf s ILE 9 CO 0.02 0.51 -0.14 -0.54 0.00 0.00 0.00 174.94 174.79 3iqf s LYS 10 N 0.85 2.57 -0.10 2.79 1.02 -0.24 -0.63 119.74 126.00 3iqf s LYS 10 Ca -0.04 -1.13 -0.00 0.00 0.02 0.00 0.00 55.97 54.82 3iqf s LYS 10 Cb -0.15 -2.77 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 3iqf s LYS 10 CO -0.01 -0.42 -0.07 0.00 -0.92 0.00 0.00 175.35 173.93 3iqf n GLY 12 N 4.77 -2.10 2.86 0.00 0.00 0.05 -4.20 105.19 106.57 3iqf n GLY 12 Ca -0.14 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 3iqf n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iqf s ASN 13 N -3.81 -0.03 0.18 1.61 2.47 -1.26 -4.60 114.94 109.51 3iqf s ASN 13 Ca 0.00 0.15 0.07 0.00 0.42 0.00 0.00 52.86 53.50 3iqf s ASN 13 Cb 0.00 0.07 -0.04 0.00 -1.45 0.00 0.00 41.25 39.82 3iqf s ASN 13 CO 0.00 -0.11 -0.14 -0.76 -3.72 0.00 0.00 177.10 172.37 3iqf s LEU 14 N 0.87 2.53 0.25 3.21 1.02 -1.26 -4.53 118.68 120.76 3iqf s LEU 14 Ca -0.07 -0.99 -0.04 0.00 0.02 0.00 0.00 54.13 53.06 3iqf s LEU 14 Cb -0.10 -0.59 0.42 0.00 0.02 0.00 0.00 46.19 45.94 3iqf s LEU 14 CO -0.03 -0.20 1.80 1.23 0.02 0.00 0.00 176.35 179.17 3iqf h GLY 15 N 2.75 1.29 0.94 -3.19 0.00 -1.94 -1.63 103.07 101.30 3iqf h GLY 15 Ca -0.38 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.52 3iqf h GLY 15 CO 0.60 0.10 -0.36 -0.84 0.00 0.00 0.00 176.54 176.04 3iqf h THR 16 N 0.75 1.32 0.00 4.70 2.02 -1.97 -2.89 112.91 116.84 3iqf h THR 16 Ca 0.41 -1.57 -0.11 0.00 0.77 0.00 0.00 66.41 65.91 3iqf h THR 16 Cb 0.42 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 3iqf h THR 16 CO -0.27 0.49 -0.53 0.77 0.37 0.00 0.00 175.52 176.36 3iqf h SER 17 N 0.33 0.00 -0.46 4.18 4.64 -1.89 -0.09 113.55 120.26 3iqf h SER 17 Ca 0.02 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 3iqf h SER 17 Cb 0.95 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 3iqf h SER 17 CO 0.08 0.53 0.05 -0.03 -0.87 0.00 0.00 176.83 176.59 3iqf h MET 18 N 0.00 0.85 0.00 4.77 -1.53 -1.18 -3.24 114.93 114.61 3iqf h MET 18 Ca -0.01 -0.21 0.00 0.00 -3.44 0.00 0.00 59.70 56.04 3iqf h MET 18 Cb 0.94 -0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.88 3iqf h MET 18 CO 0.07 0.82 -1.23 -1.33 0.14 0.00 0.00 176.91 175.38 3iqf n MET 19 N -4.23 0.58 -0.17 0.39 2.81 -1.03 -4.78 117.12 110.70 3iqf n MET 19 Ca 0.03 -0.06 -0.02 0.00 -1.81 0.00 0.00 57.70 55.84 3iqf n MET 19 Cb 0.28 -1.44 0.07 0.00 -0.71 0.00 0.00 33.22 31.43 3iqf n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iqf h MET 20 N 0.00 0.33 -0.53 0.03 -0.00 -1.05 -1.15 114.93 112.56 3iqf h MET 20 Ca 0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 59.70 59.59 3iqf h MET 20 Cb 0.60 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 32.11 3iqf h MET 20 CO 0.00 0.22 -0.02 0.38 -0.00 0.00 0.00 176.91 177.49 3iqf h ASP 21 N 0.34 0.94 0.52 -0.10 2.03 -1.86 -3.23 116.42 115.05 3iqf h ASP 21 Ca 0.25 -0.32 -0.09 0.00 -0.73 0.00 0.00 57.03 56.15 3iqf h ASP 21 Cb 0.29 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.53 3iqf h ASP 21 CO -0.27 1.03 -0.41 0.24 -1.03 0.00 0.00 179.24 178.80 3iqf h MET 22 N 0.82 0.00 0.00 4.15 2.86 -1.57 -1.83 114.93 119.37 3iqf h MET 22 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3iqf h MET 22 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3iqf h MET 22 CO 0.03 0.41 0.00 -0.07 1.06 0.00 0.00 176.91 178.34 3iqf h LEU 23 N 0.00 0.00 0.00 1.22 3.38 -1.38 -2.52 115.31 116.01 3iqf h LEU 23 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqf h LEU 23 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3iqf h LEU 23 CO 0.05 0.00 -0.69 0.18 0.09 0.00 0.00 178.44 178.07 3iqf n LEU 24 N -2.83 0.61 -2.90 1.67 4.77 -0.69 -4.58 117.00 113.05 3iqf n LEU 24 Ca -0.02 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 3iqf n LEU 24 Cb 0.09 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3iqf n LEU 24 CO 0.18 0.08 0.10 -0.67 -1.33 0.00 0.00 177.39 175.74 3iqf n ASP 25 N -1.74 -1.44 0.30 -1.43 2.03 -0.96 -4.98 116.55 108.32 3iqf n ASP 25 Ca 0.04 -3.33 0.16 0.00 0.52 0.00 0.00 54.79 52.18 3iqf n ASP 25 Cb 0.38 1.01 0.95 0.00 -0.72 0.00 0.00 41.12 42.74 3iqf n ASP 25 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3iqf h GLU 26 N 3.36 0.00 -0.09 -0.67 9.09 -1.79 -0.06 114.58 124.43 3iqf h GLU 26 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.37 3iqf h GLU 26 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3iqf h GLU 26 CO 0.30 0.01 0.00 0.54 0.05 0.00 0.00 179.01 179.92 3iqf n ARG 27 N -3.68 2.69 -2.18 1.06 1.74 -1.26 -5.00 116.66 110.04 3iqf n ARG 27 Ca -0.03 -1.87 -0.16 0.00 -0.77 0.00 0.00 57.85 55.02 3iqf n ARG 27 Cb 0.10 -1.19 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 3iqf n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iqf n ALA 28 N -0.45 -0.59 -0.02 7.54 0.00 -0.04 -4.86 120.51 122.10 3iqf n ALA 28 Ca 0.06 0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.71 3iqf n ALA 28 Cb 0.39 -1.78 0.10 0.00 0.00 0.00 0.00 19.45 18.17 3iqf n ALA 28 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iqf n ASP 29 N -1.63 2.51 -4.71 0.00 5.68 -1.26 -4.97 116.55 112.17 3iqf n ASP 29 Ca -0.18 -1.85 -0.42 0.00 -0.50 0.00 0.00 54.79 51.84 3iqf n ASP 29 Cb 0.62 -0.14 -0.03 0.00 -1.14 0.00 0.00 41.12 40.42 3iqf n ASP 29 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3iqf s ARG 30 N -0.94 4.41 0.00 0.11 0.52 -1.26 -4.41 118.95 117.38 3iqf s ARG 30 Ca 0.17 1.81 0.24 0.00 -0.52 0.00 0.00 55.73 57.43 3iqf s ARG 30 Cb 0.09 -3.36 0.26 0.00 0.52 0.00 0.00 34.95 32.46 3iqf s ARG 30 CO 0.12 -0.31 1.26 0.39 0.02 0.00 0.00 175.30 176.79 3iqf n GLU 31 N 4.07 1.36 -0.29 3.54 1.02 0.95 -4.37 120.64 126.93 3iqf n GLU 31 Ca 0.10 -1.06 0.07 0.00 -0.02 0.00 0.00 57.16 56.25 3iqf n GLU 31 Cb 0.46 -1.48 0.21 0.00 -0.02 0.00 0.00 31.44 30.61 3iqf n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3iqf n ASP 32 N 0.10 3.38 -3.97 1.62 3.85 -1.26 -4.78 116.55 115.49 3iqf n ASP 32 Ca 0.11 -2.26 -0.09 0.00 -0.71 0.00 0.00 54.79 51.84 3iqf n ASP 32 Cb 0.46 -0.35 -0.11 0.00 -1.35 0.00 0.00 41.12 39.77 3iqf n ASP 32 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3iqf s VAL 33 N -1.47 0.12 -0.08 2.12 -7.23 -1.26 -0.77 120.40 111.83 3iqf s VAL 33 Ca 0.32 -0.98 -0.03 0.00 -1.81 0.00 0.00 61.98 59.47 3iqf s VAL 33 Cb 0.20 -0.44 0.04 0.00 0.56 0.00 0.00 36.38 36.74 3iqf s VAL 33 CO 0.16 -0.54 0.17 -0.70 -0.31 0.00 0.00 175.10 173.89 3iqf s GLU 34 N -1.76 0.11 0.16 4.82 2.12 0.01 -4.90 118.70 119.26 3iqf s GLU 34 Ca -0.13 0.46 0.11 0.00 0.36 0.00 0.00 54.97 55.77 3iqf s GLU 34 Cb -0.07 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.10 3iqf s GLU 34 CO -0.02 -0.20 -0.25 -0.06 -0.54 0.00 0.00 175.26 174.20 3iqf s PHE 35 N 1.47 2.26 0.02 5.30 2.99 -1.26 -2.27 117.98 126.49 3iqf s PHE 35 Ca -0.06 -0.37 0.08 0.00 0.00 0.00 0.00 56.93 56.57 3iqf s PHE 35 Cb -0.11 -1.16 -0.02 0.00 0.00 0.00 0.00 43.02 41.72 3iqf s PHE 35 CO -0.07 0.42 -0.24 1.03 -0.00 0.00 0.00 175.22 176.37 3iqf s ARG 36 N -2.42 1.74 -0.09 0.44 1.81 -0.64 -4.99 118.95 114.81 3iqf s ARG 36 Ca 0.17 -0.94 0.02 0.00 -1.72 0.00 0.00 55.73 53.26 3iqf s ARG 36 Cb -0.09 -1.79 0.01 0.00 -0.45 0.00 0.00 34.95 32.64 3iqf s ARG 36 CO 0.08 0.48 -0.13 0.08 -0.68 0.00 0.00 175.30 175.12 3iqf s VAL 37 N -0.68 1.30 0.10 3.52 1.01 -1.26 -0.53 120.40 123.85 3iqf s VAL 37 Ca 0.09 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3iqf s VAL 37 Cb -0.09 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3iqf s VAL 37 CO 0.01 0.40 -0.07 0.68 0.00 0.00 0.00 175.10 176.11 3iqf s VAL 38 N 0.93 0.73 -0.89 2.92 -7.23 -0.41 -4.97 120.40 111.48 3iqf s VAL 38 Ca -0.09 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3iqf s VAL 38 Cb -0.15 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.22 3iqf s VAL 38 CO 0.00 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 3iqf n GLY 39 N 0.13 -1.35 0.49 2.32 0.00 -1.26 -1.07 105.19 104.45 3iqf n GLY 39 Ca -0.13 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 44.98 3iqf n GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iqf n THR 40 N 0.63 2.06 -4.19 2.61 -2.24 -1.16 -4.95 114.28 107.03 3iqf n THR 40 Ca 0.00 -2.92 0.00 0.00 -2.27 0.00 0.00 64.05 58.86 3iqf n THR 40 Cb 0.00 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3iqf n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iqf n SER 41 N -1.15 0.00 0.11 3.42 2.88 -1.26 -2.99 113.62 114.63 3iqf n SER 41 Ca 0.18 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.84 3iqf n SER 41 Cb 0.69 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.59 3iqf n SER 41 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3iqf n VAL 42 N 0.00 0.67 -2.68 2.46 0.24 -1.26 -0.77 118.33 116.99 3iqf n VAL 42 Ca 0.00 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 3iqf n VAL 42 Cb 0.00 -0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 31.52 3iqf n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3iqf s LYS 43 N -3.18 4.63 -0.00 7.34 1.02 -1.16 -3.35 119.74 125.04 3iqf s LYS 43 Ca 0.08 1.49 0.15 0.00 0.02 0.00 0.00 55.97 57.72 3iqf s LYS 43 Cb 0.11 -3.39 0.25 0.00 -0.52 0.00 0.00 37.83 34.29 3iqf s LYS 43 CO 0.51 0.09 1.10 0.00 -0.92 0.00 0.00 175.35 176.13 3iqf n MET 44 N 3.14 0.04 -1.16 1.68 0.00 -1.26 -3.75 117.12 115.81 3iqf n MET 44 Ca 0.04 -1.62 -0.32 0.00 0.00 0.00 0.00 57.70 55.80 3iqf n MET 44 Cb 0.49 -0.25 0.11 0.00 0.00 0.00 0.00 33.22 33.58 3iqf n MET 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3iqf s ASP 45 N -1.62 3.94 0.30 3.17 -4.77 -1.26 -3.74 116.67 112.69 3iqf s ASP 45 Ca 0.20 2.09 0.05 0.00 -3.30 0.00 0.00 52.55 51.60 3iqf s ASP 45 Cb 0.23 -2.56 0.71 0.00 -1.09 0.00 0.00 42.92 40.22 3iqf s ASP 45 CO -0.10 -2.42 1.79 -0.65 0.70 0.00 0.00 175.17 174.49 3iqf h PRO 46 N -1.07 0.78 0.03 2.11 0.11 -1.86 -0.97 132.00 131.13 3iqf h PRO 46 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iqf h PRO 46 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3iqf h PRO 46 CO 0.48 0.51 -0.02 0.93 -0.21 0.00 0.00 178.00 179.70 3iqf h GLU 47 N 0.80 -0.04 -0.77 1.05 3.07 -1.96 -0.65 114.58 116.08 3iqf h GLU 47 Ca 0.57 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.41 3iqf h GLU 47 Cb 0.84 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.72 3iqf h GLU 47 CO -0.36 0.17 0.39 0.00 -1.40 0.00 0.00 179.01 177.81 3iqf h VAL 49 N 1.07 1.26 -0.42 0.00 2.07 -1.09 0.09 116.25 119.25 3iqf h VAL 49 Ca 0.27 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.69 3iqf h VAL 49 Cb 0.08 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3iqf h VAL 49 CO -0.04 0.40 0.22 -0.08 0.02 0.00 0.00 177.57 178.10 3iqf h GLU 50 N 0.83 0.44 -0.55 1.57 4.81 -0.88 -0.12 114.58 120.67 3iqf h GLU 50 Ca 0.15 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3iqf h GLU 50 Cb 0.55 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 3iqf h GLU 50 CO 0.03 0.29 0.28 0.00 -0.73 0.00 0.00 179.01 178.88 3iqf h ALA 51 N 1.20 0.71 -0.08 2.92 0.00 -0.91 0.58 119.26 123.68 3iqf h ALA 51 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iqf h ALA 51 Cb 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3iqf h ALA 51 CO -0.10 -0.06 0.05 0.00 0.00 0.00 0.00 179.25 179.14 3iqf h ALA 52 N 1.30 0.11 -0.68 0.00 0.00 -0.39 -1.06 119.26 118.53 3iqf h ALA 52 Ca 0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 52 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3iqf h ALA 52 CO -0.17 -0.40 0.16 0.28 0.00 0.00 0.00 179.25 179.12 3iqf h VAL 53 N 0.10 1.26 -0.37 0.00 2.07 -0.77 -2.03 116.25 116.52 3iqf h VAL 53 Ca 0.03 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.60 3iqf h VAL 53 Cb -0.00 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3iqf h VAL 53 CO -0.01 0.37 0.20 -0.08 0.02 0.00 0.00 177.57 178.08 3iqf h GLU 54 N 1.03 0.40 -0.50 1.57 4.81 -0.64 0.56 114.58 121.83 3iqf h GLU 54 Ca 0.21 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.51 3iqf h GLU 54 Cb 0.38 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.59 3iqf h GLU 54 CO 0.00 0.27 0.03 0.52 -0.73 0.00 0.00 179.01 179.10 3iqf h MET 55 N 0.42 0.14 -0.12 1.92 2.86 -1.00 0.51 114.93 119.66 3iqf h MET 55 Ca 0.15 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3iqf h MET 55 Cb 0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3iqf h MET 55 CO -0.08 0.10 0.05 0.00 1.06 0.00 0.00 176.91 178.03 3iqf h ALA 56 N 1.43 0.14 -0.31 6.32 0.00 -0.58 -1.08 119.26 125.18 3iqf h ALA 56 Ca 0.25 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3iqf h ALA 56 Cb 0.37 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iqf h ALA 56 CO -0.39 -0.40 -0.29 -0.07 0.00 0.00 0.00 179.25 178.10 3iqf h LEU 57 N 0.11 0.64 0.24 0.00 3.38 -0.67 0.17 115.31 119.19 3iqf h LEU 57 Ca 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3iqf h LEU 57 Cb 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3iqf h LEU 57 CO -0.05 0.90 -0.12 0.44 0.09 0.00 0.00 178.44 179.70 3iqf h ASP 58 N 0.54 -0.28 -0.78 -0.43 3.32 -0.75 -2.50 116.42 115.55 3iqf h ASP 58 Ca 0.07 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.14 3iqf h ASP 58 Cb 0.77 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 3iqf h ASP 58 CO 0.06 -0.16 0.51 0.40 -1.72 0.00 0.00 179.24 178.33 3iqf h ILE 59 N -0.37 1.09 -0.00 0.35 5.03 -0.95 -2.87 117.51 119.79 3iqf h ILE 59 Ca -0.03 -0.31 -0.02 0.00 -0.12 0.00 0.00 64.86 64.38 3iqf h ILE 59 Cb 0.28 0.10 -0.00 0.00 -3.03 0.00 0.00 36.82 34.17 3iqf h ILE 59 CO 0.05 0.17 -0.09 0.00 -0.68 0.00 0.00 178.15 177.60 3iqf h ALA 60 N 1.56 1.85 -0.42 1.87 0.00 -0.24 0.16 119.26 124.05 3iqf h ALA 60 Ca 0.32 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3iqf h ALA 60 Cb 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3iqf h ALA 60 CO -0.10 0.11 0.05 0.93 0.00 0.00 0.00 179.25 180.24 3iqf h GLU 61 N 0.00 0.16 0.00 0.00 5.08 -1.24 0.31 114.58 118.89 3iqf h GLU 61 Ca -0.00 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 3iqf h GLU 61 Cb 0.16 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3iqf h GLU 61 CO 0.01 0.11 -1.85 -0.25 -1.00 0.00 0.00 179.01 176.03 3iqf n ASP 62 N -5.14 0.61 0.08 1.42 8.00 -1.04 -4.38 116.55 116.11 3iqf n ASP 62 Ca 0.03 0.29 -0.09 0.00 0.71 0.00 0.00 54.79 55.73 3iqf n ASP 62 Cb 0.21 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 3iqf n ASP 62 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3iqf h PHE 63 N 0.00 0.29 -6.02 1.24 3.57 -0.56 -3.49 116.94 111.96 3iqf h PHE 63 Ca -0.33 -0.17 -0.31 0.00 3.53 0.00 0.00 57.97 60.69 3iqf h PHE 63 Cb 1.98 -0.03 0.06 0.00 2.79 0.00 0.00 35.95 40.75 3iqf h PHE 63 CO 0.00 1.01 -0.71 0.39 -2.23 0.00 0.00 178.31 176.77 3iqf n GLU 64 N -3.61 -1.40 -2.29 1.11 1.02 0.11 -4.95 120.64 110.62 3iqf n GLU 64 Ca -0.04 0.83 -0.35 0.00 -0.02 0.00 0.00 57.16 57.59 3iqf n GLU 64 Cb 0.84 -4.37 -0.00 0.00 -0.02 0.00 0.00 31.44 27.89 3iqf n GLU 64 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3iqf s PRO 65 N -4.82 3.43 0.19 3.49 0.04 -1.26 -4.84 135.00 131.22 3iqf s PRO 65 Ca 0.26 1.60 0.07 0.00 0.04 0.00 0.00 61.00 62.97 3iqf s PRO 65 Cb -0.08 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.46 3iqf s PRO 65 CO 0.83 -0.79 1.43 -0.44 0.04 0.00 0.00 177.00 178.07 3iqf h ASP 66 N 1.30 0.08 -5.08 6.66 5.19 -0.51 -3.47 116.42 120.59 3iqf h ASP 66 Ca -0.50 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 55.83 3iqf h ASP 66 Cb 1.26 -0.02 -0.10 0.00 0.18 0.00 0.00 39.33 40.65 3iqf h ASP 66 CO 0.57 0.87 0.05 0.72 -3.12 0.00 0.00 179.24 178.33 3iqf s PHE 67 N -3.18 -0.12 -0.03 4.55 -0.12 -1.20 -4.30 117.98 113.58 3iqf s PHE 67 Ca -0.01 -0.22 0.04 0.00 -0.05 0.00 0.00 56.93 56.69 3iqf s PHE 67 Cb 0.11 0.42 -0.00 0.00 -0.63 0.00 0.00 43.02 42.91 3iqf s PHE 67 CO 0.80 -0.95 -0.16 0.42 -0.05 0.00 0.00 175.22 175.29 3iqf s ILE 68 N -3.88 1.30 -0.13 -4.49 1.01 0.09 -2.49 121.20 112.61 3iqf s ILE 68 Ca 0.10 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3iqf s ILE 68 Cb -0.01 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 3iqf s ILE 68 CO -0.02 0.38 -0.16 -0.69 0.00 0.00 0.00 174.94 174.44 3iqf s VAL 69 N -0.04 2.66 -0.18 2.92 1.01 0.38 -1.29 120.40 125.86 3iqf s VAL 69 Ca -0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3iqf s VAL 69 Cb -0.10 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3iqf s VAL 69 CO 0.01 0.53 -0.02 -0.47 0.00 0.00 0.00 175.10 175.15 3iqf s TYR 70 N 0.55 3.01 -0.03 5.22 6.14 -0.22 0.27 117.35 132.29 3iqf s TYR 70 Ca -0.10 -0.44 0.02 0.00 0.64 0.00 0.00 57.07 57.19 3iqf s TYR 70 Cb -0.16 -2.02 0.00 0.00 0.42 0.00 0.00 41.96 40.20 3iqf s TYR 70 CO 0.04 -0.18 -0.09 0.20 0.64 0.00 0.00 175.55 176.16 3iqf s GLY 71 N 0.75 0.52 0.00 8.97 0.00 0.19 -0.24 107.32 117.52 3iqf s GLY 71 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.40 3iqf s GLY 71 CO 0.02 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.69 3iqf n GLY 72 N 3.36 -2.54 3.76 0.20 0.00 -0.76 -2.63 105.19 106.58 3iqf n GLY 72 Ca -0.19 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 3iqf n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iqf s PRO 73 N -1.97 2.93 -0.40 1.61 0.02 -1.26 -4.25 135.00 131.68 3iqf s PRO 73 Ca 0.00 1.65 -0.33 0.00 0.02 0.00 0.00 61.00 62.34 3iqf s PRO 73 Cb 0.00 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 32.63 3iqf s PRO 73 CO 0.00 -1.20 0.59 -1.71 -0.33 0.00 0.00 177.00 174.35 3iqf n ASN 74 N -1.86 -5.87 0.21 2.53 5.15 -1.26 -4.85 115.26 109.31 3iqf n ASN 74 Ca 0.12 -0.02 0.16 0.00 -0.60 0.00 0.00 54.58 54.25 3iqf n ASN 74 Cb 0.51 -2.05 0.68 0.00 -0.53 0.00 0.00 39.78 38.39 3iqf n ASN 74 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3iqf h PRO 75 N 2.25 0.00 0.00 1.20 0.11 -1.87 -0.67 132.00 133.02 3iqf h PRO 75 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iqf h PRO 75 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3iqf h PRO 75 CO 0.20 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 177.85 3iqf n ALA 76 N -2.03 2.43 -1.46 -0.75 0.00 -1.26 -3.54 120.51 113.89 3iqf n ALA 76 Ca 0.03 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 3iqf n ALA 76 Cb 0.61 -1.40 0.09 0.00 0.00 0.00 0.00 19.45 18.75 3iqf n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iqf s ALA 77 N -3.12 2.16 0.20 0.00 0.00 -0.26 -4.75 121.76 116.00 3iqf s ALA 77 Ca 0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 3iqf s ALA 77 Cb 0.12 -3.15 0.23 0.00 0.00 0.00 0.00 23.12 20.33 3iqf s ALA 77 CO 0.63 -1.79 1.77 -1.35 0.00 0.00 0.00 175.76 175.02 3iqf h PRO 78 N -1.14 0.48 0.90 0.00 0.11 -1.91 -0.29 132.00 130.17 3iqf h PRO 78 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3iqf h PRO 78 Cb 1.26 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.27 3iqf h PRO 78 CO 0.57 0.32 -0.43 0.78 -0.21 0.00 0.00 178.00 179.03 3iqf h GLY 79 N 0.50 -1.27 0.52 -0.55 0.00 -1.83 -2.50 103.07 97.95 3iqf h GLY 79 Ca 0.28 0.47 0.17 0.00 0.00 0.00 0.00 47.33 48.25 3iqf h GLY 79 CO -0.23 -0.46 0.55 -2.55 0.00 0.00 0.00 176.54 173.85 3iqf h PRO 80 N -1.27 0.44 -0.52 4.80 0.11 -1.75 -1.93 132.00 131.88 3iqf h PRO 80 Ca -0.12 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 3iqf h PRO 80 Cb 0.93 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 3iqf h PRO 80 CO 0.20 0.29 0.09 0.77 -0.21 0.00 0.00 178.00 179.14 3iqf h SER 81 N 0.45 0.78 -0.49 -2.05 0.02 -0.94 -0.75 113.55 110.57 3iqf h SER 81 Ca 0.42 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 61.10 3iqf h SER 81 Cb 0.94 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 3iqf h SER 81 CO -0.15 0.79 -0.14 0.50 -1.14 0.00 0.00 176.83 176.69 3iqf h LYS 82 N 0.79 0.98 -0.57 3.45 1.63 -0.91 -1.36 116.57 120.57 3iqf h LYS 82 Ca 0.17 -0.37 -0.00 0.00 -0.85 0.00 0.00 60.65 59.59 3iqf h LYS 82 Cb 0.35 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 3iqf h LYS 82 CO 0.01 1.04 0.36 0.00 -3.45 0.00 0.00 179.45 177.41 3iqf h ALA 83 N 0.97 0.73 -0.84 5.00 0.00 -0.89 -1.49 119.26 122.73 3iqf h ALA 83 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 83 Cb 0.70 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3iqf h ALA 83 CO 0.05 0.20 0.55 0.00 0.00 0.00 0.00 179.25 180.05 3iqf h ARG 84 N 0.77 1.09 0.11 0.00 3.08 -0.90 -0.48 114.38 118.04 3iqf h ARG 84 Ca 0.21 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3iqf h ARG 84 Cb -0.04 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.77 3iqf h ARG 84 CO -0.04 0.72 -0.05 1.49 -1.07 0.00 0.00 179.97 181.02 3iqf h GLU 85 N 1.12 -0.14 -0.37 0.04 4.81 -0.96 0.20 114.58 119.28 3iqf h GLU 85 Ca 0.32 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3iqf h GLU 85 Cb -0.09 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3iqf h GLU 85 CO -0.08 0.09 0.24 0.52 -0.73 0.00 0.00 179.01 179.04 3iqf h MET 86 N -0.35 0.49 -0.21 1.92 2.86 -1.13 -1.84 114.93 116.67 3iqf h MET 86 Ca -0.01 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.41 3iqf h MET 86 Cb 0.29 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3iqf h MET 86 CO 0.02 0.34 -0.60 -0.07 1.06 0.00 0.00 176.91 177.66 3iqf h LEU 87 N 0.49 0.80 -0.92 1.22 3.38 -1.07 -1.73 115.31 117.49 3iqf h LEU 87 Ca 0.13 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3iqf h LEU 87 Cb -0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3iqf h LEU 87 CO -0.03 1.22 0.56 0.00 0.09 0.00 0.00 178.44 180.28 3iqf h ALA 88 N 0.79 1.17 -0.00 1.53 0.00 -0.89 -2.71 119.26 119.14 3iqf h ALA 88 Ca -0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3iqf h ALA 88 Cb 1.19 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3iqf h ALA 88 CO 0.12 0.61 -0.38 -0.44 0.00 0.00 0.00 179.25 179.17 3iqf h ASP 89 N 1.26 0.01 -3.84 0.00 3.32 -1.17 -3.46 116.42 112.54 3iqf h ASP 89 Ca 0.33 -0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.92 3iqf h ASP 89 Cb -0.07 -0.00 0.16 0.00 0.22 0.00 0.00 39.33 39.64 3iqf h ASP 89 CO -0.06 0.39 0.18 -0.94 -1.72 0.00 0.00 179.24 177.08 3iqf s SER 90 N -6.93 2.52 0.09 6.45 1.04 -0.66 -4.94 113.70 111.27 3iqf s SER 90 Ca -0.03 1.26 0.26 0.00 0.48 0.00 0.00 55.95 57.92 3iqf s SER 90 Cb 0.14 -1.93 1.00 0.00 0.10 0.00 0.00 66.02 65.33 3iqf s SER 90 CO 0.73 -3.20 1.80 -1.84 0.98 0.00 0.00 173.24 171.70 3iqf n GLU 91 N -4.23 0.11 -3.48 4.02 0.28 -1.26 -4.85 120.64 111.22 3iqf n GLU 91 Ca 0.05 0.14 -0.37 0.00 -0.16 0.00 0.00 57.16 56.82 3iqf n GLU 91 Cb 0.57 -1.64 -0.06 0.00 1.43 0.00 0.00 31.44 31.74 3iqf n GLU 91 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3iqf s TYR 92 N -3.06 3.57 0.28 -1.84 2.02 -1.26 -5.05 117.35 112.01 3iqf s TYR 92 Ca 0.11 0.81 -0.30 0.00 -0.37 0.00 0.00 57.07 57.32 3iqf s TYR 92 Cb 0.15 -2.36 -0.13 0.00 -0.40 0.00 0.00 41.96 39.22 3iqf s TYR 92 CO 0.51 0.39 1.28 -2.30 -1.57 0.00 0.00 175.55 173.85 3iqf n PRO 93 N 2.91 1.88 -4.11 -1.71 -0.02 -1.26 -4.83 135.00 127.86 3iqf n PRO 93 Ca -0.12 0.66 -0.14 0.00 -2.02 0.00 0.00 63.50 61.88 3iqf n PRO 93 Cb 0.52 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 3iqf n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iqf s ALA 94 N -0.60 0.57 -0.06 3.55 0.00 -1.26 -0.73 121.76 123.23 3iqf s ALA 94 Ca 0.62 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.03 3iqf s ALA 94 Cb -0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 3iqf s ALA 94 CO 0.56 0.04 -0.21 0.08 0.00 0.00 0.00 175.76 176.23 3iqf s VAL 95 N -0.95 1.73 -0.30 0.00 1.01 -0.41 -0.97 120.40 120.50 3iqf s VAL 95 Ca -0.05 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 3iqf s VAL 95 Cb -0.07 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3iqf s VAL 95 CO 0.00 0.49 0.16 -0.63 0.00 0.00 0.00 175.10 175.12 3iqf s ILE 96 N 0.07 4.81 -0.21 2.22 -1.09 0.66 -1.06 121.20 126.60 3iqf s ILE 96 Ca -0.07 -0.21 -0.14 0.00 -2.23 0.00 0.00 60.65 58.00 3iqf s ILE 96 Cb -0.14 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 3iqf s ILE 96 CO 0.04 0.15 0.33 -0.63 -1.23 0.00 0.00 174.94 173.60 3iqf s ILE 97 N 1.66 5.25 0.00 2.92 -1.09 0.67 -0.88 121.20 129.73 3iqf s ILE 97 Ca 0.06 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 3iqf s ILE 97 Cb -0.16 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 3iqf s ILE 97 CO 0.07 0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 3iqf n GLY 98 N 4.00 3.13 0.00 6.18 0.00 -0.55 -1.83 105.19 116.12 3iqf n GLY 98 Ca -0.10 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3iqf n GLY 98 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iqf n ASP 99 N -0.63 1.80 -0.31 1.61 3.85 -1.26 -0.40 116.55 121.22 3iqf n ASP 99 Ca 0.00 -0.95 -0.04 0.00 -0.71 0.00 0.00 54.79 53.09 3iqf n ASP 99 Cb 0.00 0.00 0.08 0.00 -1.35 0.00 0.00 41.12 39.85 3iqf n ASP 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3iqf h ALA 100 N 1.00 1.06 -0.27 2.12 0.00 -1.79 -1.88 119.26 119.50 3iqf h ALA 100 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3iqf h ALA 100 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3iqf h ALA 100 CO 0.00 0.49 0.39 -1.35 0.00 0.00 0.00 179.25 178.78 3iqf h PRO 101 N 1.13 0.00 0.00 0.00 0.11 -1.96 -0.60 132.00 130.69 3iqf h PRO 101 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3iqf h PRO 101 Cb -0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3iqf h PRO 101 CO -0.06 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.51 3iqf h GLY 102 N 0.00 0.00 1.86 -0.55 0.00 -1.69 -2.77 103.07 99.92 3iqf h GLY 102 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.48 3iqf h GLY 102 CO -0.00 0.00 0.05 1.41 0.00 0.00 0.00 176.54 178.00 3iqf h LEU 103 N 0.00 0.00 -2.12 3.11 3.38 -1.26 -2.02 115.31 116.40 3iqf h LEU 103 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3iqf h LEU 103 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3iqf h LEU 103 CO 0.00 0.00 0.19 0.11 0.09 0.00 0.00 178.44 178.83 3iqf h LYS 104 N 0.00 0.00 0.00 1.13 1.57 -1.70 -2.92 116.57 114.65 3iqf h LYS 104 Ca 0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3iqf h LYS 104 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3iqf h LYS 104 CO -0.00 0.00 -0.30 1.33 -0.57 0.00 0.00 179.45 179.91 3iqf n VAL 105 N -4.17 2.00 -0.10 0.50 0.24 -0.77 -4.78 118.33 111.25 3iqf n VAL 105 Ca 0.02 -2.74 -0.11 0.00 -2.04 0.00 0.00 64.34 59.48 3iqf n VAL 105 Cb 0.33 -0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 32.47 3iqf n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3iqf h LYS 106 N 0.57 0.49 -0.63 7.34 3.64 -1.44 0.87 116.57 127.40 3iqf h LYS 106 Ca -0.00 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 3iqf h LYS 106 Cb 1.02 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3iqf h LYS 106 CO 0.00 0.59 0.14 -0.44 -2.27 0.00 0.00 179.45 177.48 3iqf h ASP 107 N 0.31 0.97 -0.51 4.20 3.32 -1.86 -1.99 116.42 120.86 3iqf h ASP 107 Ca 0.09 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 3iqf h ASP 107 Cb 0.34 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3iqf h ASP 107 CO 0.01 0.96 0.23 -0.08 -1.72 0.00 0.00 179.24 178.64 3iqf h GLU 108 N 0.94 0.75 -0.78 3.56 4.81 -1.83 -0.24 114.58 121.80 3iqf h GLU 108 Ca 0.20 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3iqf h GLU 108 Cb 0.38 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 3iqf h GLU 108 CO 0.01 0.64 0.49 0.52 -0.73 0.00 0.00 179.01 179.94 3iqf h MET 109 N 0.69 0.91 -0.65 1.92 2.86 -0.67 0.12 114.93 120.11 3iqf h MET 109 Ca 0.17 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3iqf h MET 109 Cb 0.15 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3iqf h MET 109 CO -0.02 0.60 0.34 0.93 1.06 0.00 0.00 176.91 179.82 3iqf h GLU 110 N 0.94 0.93 -0.81 1.72 5.08 -0.90 -1.54 114.58 119.99 3iqf h GLU 110 Ca 0.32 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3iqf h GLU 110 Cb 0.06 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 3iqf h GLU 110 CO -0.13 0.72 0.49 1.49 -1.00 0.00 0.00 179.01 180.58 3iqf h GLU 111 N 0.90 1.10 0.00 2.33 4.81 -0.36 -1.47 114.58 121.88 3iqf h GLU 111 Ca 0.23 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3iqf h GLU 111 Cb 0.08 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.23 3iqf h GLU 111 CO -0.03 0.77 0.00 1.04 -0.73 0.00 0.00 179.01 180.06 3iqf n GLN 112 N -4.37 0.13 -1.56 1.92 6.02 0.36 -4.89 117.38 114.99 3iqf n GLN 112 Ca 0.09 0.15 -0.04 0.00 -0.01 0.00 0.00 57.00 57.19 3iqf n GLN 112 Cb 0.07 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 3iqf n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iqf n GLY 113 N 0.31 0.47 3.87 1.08 0.00 -0.55 -4.75 105.19 105.61 3iqf n GLY 113 Ca 0.06 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 3iqf n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iqf s LEU 114 N -1.06 4.19 0.62 0.99 1.43 -0.63 -4.76 118.68 119.46 3iqf s LEU 114 Ca 0.00 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.23 3iqf s LEU 114 Cb 0.00 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 3iqf s LEU 114 CO 0.00 0.21 0.98 -0.83 0.23 0.00 0.00 176.35 176.94 3iqf s GLY 115 N -2.23 1.61 -0.01 -3.19 0.00 -0.15 -4.35 107.32 99.00 3iqf s GLY 115 Ca 0.30 -0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.47 3iqf s GLY 115 CO 0.22 -0.10 0.36 -2.52 0.00 0.00 0.00 173.10 171.07 3iqf s TYR 116 N -3.12 -0.24 -0.22 1.90 1.13 0.15 -0.24 117.35 116.70 3iqf s TYR 116 Ca 0.54 0.35 -0.02 0.00 -1.41 0.00 0.00 57.07 56.54 3iqf s TYR 116 Cb -0.11 0.14 0.07 0.00 -1.10 0.00 0.00 41.96 40.96 3iqf s TYR 116 CO 0.50 -0.44 0.03 0.42 -2.51 0.00 0.00 175.55 173.54 3iqf s ILE 117 N -1.48 0.82 -0.25 -3.49 1.01 -0.06 -0.93 121.20 116.82 3iqf s ILE 117 Ca -0.12 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 3iqf s ILE 117 Cb -0.04 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3iqf s ILE 117 CO 0.04 -0.27 0.07 -0.76 0.00 0.00 0.00 174.94 174.02 3iqf s LEU 118 N 1.71 3.48 -0.52 2.97 1.43 0.03 -1.48 118.68 126.31 3iqf s LEU 118 Ca -0.00 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 3iqf s LEU 118 Cb -0.18 -1.93 0.13 0.00 0.03 0.00 0.00 46.19 44.25 3iqf s LEU 118 CO -0.11 -0.05 0.40 -0.69 0.23 0.00 0.00 176.35 176.14 3iqf s VAL 119 N 1.61 4.39 0.18 -1.59 1.01 0.47 0.21 120.40 126.69 3iqf s VAL 119 Ca 0.06 -1.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.02 3iqf s VAL 119 Cb -0.15 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.45 3iqf s VAL 119 CO 0.04 -0.81 1.85 0.11 0.00 0.00 0.00 175.10 176.28 3iqf h LYS 120 N 8.35 0.75 0.00 2.72 1.57 -1.29 -1.73 116.57 126.94 3iqf h LYS 120 Ca -0.18 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3iqf h LYS 120 Cb 1.06 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3iqf h LYS 120 CO 0.86 0.50 0.00 -2.30 -0.57 0.00 0.00 179.45 177.94 3iqf n PRO 121 N -4.69 0.12 -2.00 3.15 -0.02 -1.26 -4.25 135.00 126.04 3iqf n PRO 121 Ca 0.04 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 3iqf n PRO 121 Cb 0.03 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3iqf n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iqf n ASP 122 N -1.27 4.32 -4.78 2.55 -0.08 -0.65 -4.37 116.55 112.26 3iqf n ASP 122 Ca 0.04 -2.92 -0.37 0.00 -1.51 0.00 0.00 54.79 50.03 3iqf n ASP 122 Cb 0.06 -1.62 -0.06 0.00 2.34 0.00 0.00 41.12 41.84 3iqf n ASP 122 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iqf s ALA 123 N 2.56 3.29 0.37 -1.67 0.00 -1.26 -4.77 121.76 120.28 3iqf s ALA 123 Ca 0.46 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 3iqf s ALA 123 Cb 0.11 -3.08 -0.11 0.00 0.00 0.00 0.00 23.12 20.04 3iqf s ALA 123 CO -0.05 0.22 1.50 1.41 0.00 0.00 0.00 175.76 178.85 3iqf s MET 124 N -1.86 4.11 0.84 0.00 1.75 -1.26 -4.90 119.30 117.98 3iqf s MET 124 Ca 0.46 2.58 -0.09 0.00 -1.25 0.00 0.00 55.69 57.39 3iqf s MET 124 Cb -0.19 -2.97 0.16 0.00 2.84 0.00 0.00 34.83 34.66 3iqf s MET 124 CO 0.24 -0.55 1.17 -0.48 -0.65 0.00 0.00 175.02 174.75 3iqf s LEU 125 N -1.92 2.82 -1.32 4.11 0.05 -1.26 -4.49 118.68 116.67 3iqf s LEU 125 Ca 0.54 0.06 -0.13 0.00 0.05 0.00 0.00 54.13 54.65 3iqf s LEU 125 Cb -0.47 -2.28 0.12 0.00 -2.05 0.00 0.00 46.19 41.51 3iqf s LEU 125 CO 0.62 -2.28 1.88 0.61 -0.55 0.00 0.00 176.35 176.62 3iqf n GLY 126 N -3.33 4.13 2.80 -3.48 0.00 -1.26 -4.86 105.19 99.19 3iqf n GLY 126 Ca 0.14 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3iqf n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqf n ALA 127 N 5.40 5.43 -2.79 4.61 0.00 -1.26 -4.28 120.51 127.62 3iqf n ALA 127 Ca 0.44 -4.02 -0.31 0.00 0.00 0.00 0.00 53.44 49.55 3iqf n ALA 127 Cb 0.39 -3.36 -0.16 0.00 0.00 0.00 0.00 19.45 16.32 3iqf n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iqf s ARG 128 N 2.32 2.53 0.42 0.00 1.81 -1.26 -4.96 118.95 119.80 3iqf s ARG 128 Ca 0.45 -0.88 0.16 0.00 -1.72 0.00 0.00 55.73 53.73 3iqf s ARG 128 Cb 0.12 -2.12 1.04 0.00 -0.45 0.00 0.00 34.95 33.54 3iqf s ARG 128 CO -0.06 0.35 1.90 -0.09 -0.68 0.00 0.00 175.30 176.73 3iqf h ARG 129 N 6.13 0.43 0.00 3.54 2.43 -1.89 0.31 114.38 125.32 3iqf h ARG 129 Ca -0.31 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3iqf h ARG 129 Cb 1.18 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3iqf h ARG 129 CO 0.47 0.28 0.00 0.93 -1.51 0.00 0.00 179.97 180.14 3iqf h GLU 130 N 0.44 0.00 0.00 0.20 3.07 -1.96 -3.34 114.58 112.98 3iqf h GLU 130 Ca 0.40 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.16 3iqf h GLU 130 Cb 0.92 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 3iqf h GLU 130 CO -0.14 0.00 -1.35 0.34 -1.40 0.00 0.00 179.01 176.46 3iqf n PHE 131 N -2.91 0.00 -2.92 4.33 7.35 -0.54 -4.98 117.46 117.79 3iqf n PHE 131 Ca 0.01 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 3iqf n PHE 131 Cb 0.27 -0.23 -0.04 0.00 0.35 0.00 0.00 39.48 39.83 3iqf n PHE 131 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iqf s LEU 132 N -6.30 4.63 0.55 -2.13 2.96 0.97 -4.86 118.68 114.51 3iqf s LEU 132 Ca -0.09 -1.13 0.08 0.00 -0.22 0.00 0.00 54.13 52.78 3iqf s LEU 132 Cb 0.03 -2.39 0.06 0.00 0.50 0.00 0.00 46.19 44.40 3iqf s LEU 132 CO 0.11 -1.36 0.64 1.51 -1.32 0.00 0.00 176.35 175.93 3iqf s ASP 133 N 3.67 4.96 0.21 3.68 -4.77 -1.26 -4.68 116.67 118.48 3iqf s ASP 133 Ca 0.20 -0.96 -0.09 0.00 -3.30 0.00 0.00 52.55 48.39 3iqf s ASP 133 Cb -0.18 0.27 0.28 0.00 -1.09 0.00 0.00 42.92 42.20 3iqf s ASP 133 CO 0.09 -1.22 1.75 -0.65 0.70 0.00 0.00 175.17 175.84 3iqf h PRO 134 N 0.42 0.42 -0.33 2.11 0.11 -1.99 -1.25 132.00 131.49 3iqf h PRO 134 Ca -0.33 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.76 3iqf h PRO 134 Cb 1.29 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3iqf h PRO 134 CO 0.47 0.28 0.20 0.28 -0.21 0.00 0.00 178.00 179.02 3iqf h VAL 135 N 0.44 1.06 -0.71 3.15 2.07 -1.98 -0.85 116.25 119.43 3iqf h VAL 135 Ca 0.31 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 3iqf h VAL 135 Cb 0.36 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3iqf h VAL 135 CO -0.29 0.08 0.34 -0.08 0.02 0.00 0.00 177.57 177.63 3iqf h GLU 136 N 0.42 1.02 -0.77 1.57 4.57 -1.82 0.71 114.58 120.27 3iqf h GLU 136 Ca 0.13 -0.15 0.08 0.00 -1.18 0.00 0.00 59.36 58.23 3iqf h GLU 136 Cb -0.02 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.32 3iqf h GLU 136 CO -0.05 0.80 0.44 1.98 -1.18 0.00 0.00 179.01 181.01 3iqf h MET 137 N 0.99 0.75 -0.22 1.92 4.05 -0.93 -0.56 114.93 120.93 3iqf h MET 137 Ca 0.24 -0.04 -0.20 0.00 -0.28 0.00 0.00 59.70 59.42 3iqf h MET 137 Cb 0.12 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 3iqf h MET 137 CO -0.03 0.49 -0.62 0.00 0.23 0.00 0.00 176.91 176.98 3iqf h ALA 138 N 1.41 0.37 -0.53 0.39 0.00 -0.51 -2.11 119.26 118.30 3iqf h ALA 138 Ca 0.36 -0.54 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3iqf h ALA 138 Cb 0.28 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3iqf h ALA 138 CO -0.22 0.64 0.15 0.82 0.00 0.00 0.00 179.25 180.64 3iqf h ILE 139 N 0.57 0.75 -0.28 0.00 2.04 -0.66 0.13 117.51 120.06 3iqf h ILE 139 Ca -0.01 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3iqf h ILE 139 Cb 1.24 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3iqf h ILE 139 CO 0.13 0.06 0.14 0.22 0.00 0.00 0.00 178.15 178.70 3iqf h TYR 140 N 0.30 0.40 -0.65 1.37 3.20 -1.03 -1.88 116.97 118.69 3iqf h TYR 140 Ca 0.26 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.13 3iqf h TYR 140 Cb 0.34 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3iqf h TYR 140 CO -0.20 0.36 0.43 -0.91 -1.64 0.00 0.00 178.16 176.20 3iqf h ASN 141 N 0.32 0.72 -0.28 -2.11 2.35 -1.03 0.13 115.58 115.68 3iqf h ASN 141 Ca 0.10 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3iqf h ASN 141 Cb 0.11 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3iqf h ASN 141 CO -0.01 0.52 0.11 0.00 -1.65 0.00 0.00 177.43 176.39 3iqf h ALA 142 N 1.60 0.36 -0.43 -0.83 0.00 -0.40 -0.59 119.26 118.97 3iqf h ALA 142 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iqf h ALA 142 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3iqf h ALA 142 CO -0.06 -0.04 0.14 -0.44 0.00 0.00 0.00 179.25 178.85 3iqf h ASP 143 N 0.30 0.62 -0.72 0.00 3.32 -0.94 -1.97 116.42 117.03 3iqf h ASP 143 Ca 0.09 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3iqf h ASP 143 Cb 0.19 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3iqf h ASP 143 CO -0.01 0.66 0.44 0.25 -1.72 0.00 0.00 179.24 178.87 3iqf h LEU 144 N 0.55 0.86 -0.73 1.55 5.85 -0.93 -1.11 115.31 121.36 3iqf h LEU 144 Ca 0.14 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3iqf h LEU 144 Cb 0.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3iqf h LEU 144 CO -0.01 0.67 0.07 -0.03 -0.34 0.00 0.00 178.44 178.80 3iqf h MET 145 N 0.99 1.04 -0.33 1.25 4.05 -0.98 0.72 114.93 121.66 3iqf h MET 145 Ca 0.26 -0.29 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3iqf h MET 145 Cb -0.05 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 3iqf h MET 145 CO -0.05 0.97 0.19 -0.22 0.23 0.00 0.00 176.91 178.04 3iqf h LYS 146 N 0.97 0.38 0.13 0.39 1.63 -1.05 0.22 116.57 119.24 3iqf h LYS 146 Ca 0.19 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 3iqf h LYS 146 Cb 0.46 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 3iqf h LYS 146 CO 0.02 0.25 -0.19 0.28 -3.45 0.00 0.00 179.45 176.36 3iqf h VAL 147 N 0.39 0.58 -0.24 2.00 2.07 -0.37 0.13 116.25 120.82 3iqf h VAL 147 Ca 0.13 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 3iqf h VAL 147 Cb 0.00 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3iqf h VAL 147 CO -0.06 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 177.31 3iqf h LEU 148 N -0.37 0.38 0.08 2.57 3.38 -0.79 -2.21 115.31 118.35 3iqf h LEU 148 Ca 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3iqf h LEU 148 Cb 0.38 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3iqf h LEU 148 CO -0.09 0.56 -0.04 0.00 0.09 0.00 0.00 178.44 178.97 3iqf h ALA 149 N 1.48 -0.10 0.00 1.53 0.00 -0.86 -1.19 119.26 120.12 3iqf h ALA 149 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iqf h ALA 149 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3iqf h ALA 149 CO 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.17 3iqf h ALA 150 N -0.65 1.00 0.00 0.00 0.00 -0.74 -1.96 119.26 116.91 3iqf h ALA 150 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iqf h ALA 150 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3iqf h ALA 150 CO 0.02 0.00 -0.43 0.25 0.00 0.00 0.00 179.25 179.09 3iqf n THR 151 N -2.47 0.37 -0.04 0.00 -2.24 -0.83 -4.74 114.28 104.33 3iqf n THR 151 Ca 0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3iqf n THR 151 Cb 0.30 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3iqf n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iqf n GLY 152 N 1.35 0.40 0.31 3.38 0.00 -0.74 -4.98 105.19 104.92 3iqf n GLY 152 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3iqf n GLY 152 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iqf h VAL 153 N 0.00 1.22 0.00 1.61 2.07 -1.59 -1.68 116.25 117.88 3iqf h VAL 153 Ca 0.00 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3iqf h VAL 153 Cb 0.00 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3iqf h VAL 153 CO 0.00 0.22 -0.16 -0.26 0.02 0.00 0.00 177.57 177.39 3iqf h PHE 154 N 1.07 0.00 -0.08 1.57 0.05 -1.50 -1.78 116.94 116.26 3iqf h PHE 154 Ca 0.28 0.00 -0.17 0.00 3.82 0.00 0.00 57.97 61.90 3iqf h PHE 154 Cb -0.06 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.88 3iqf h PHE 154 CO -0.01 0.16 -0.68 -0.09 -0.18 0.00 0.00 178.31 177.51 3iqf h ARG 155 N 0.00 0.34 -0.43 1.51 2.43 -1.60 0.12 114.38 116.76 3iqf h ARG 155 Ca -0.00 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 58.93 3iqf h ARG 155 Cb 0.34 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3iqf h ARG 155 CO 0.02 0.90 0.23 0.28 -1.51 0.00 0.00 179.97 179.88 3iqf h VAL 156 N 0.24 1.00 -0.35 0.20 2.07 -0.93 -1.43 116.25 117.05 3iqf h VAL 156 Ca -0.02 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 3iqf h VAL 156 Cb 1.23 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3iqf h VAL 156 CO 0.11 0.08 -0.17 0.58 0.02 0.00 0.00 177.57 178.20 3iqf h VAL 157 N 0.46 1.29 -0.06 2.57 2.07 -1.21 -2.23 116.25 119.13 3iqf h VAL 157 Ca 0.18 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.44 3iqf h VAL 157 Cb 0.06 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3iqf h VAL 157 CO -0.11 0.42 -0.15 -0.61 0.02 0.00 0.00 177.57 177.15 3iqf h GLN 158 N 0.52 -0.21 -0.99 1.57 4.15 -0.70 -2.23 115.11 117.22 3iqf h GLN 158 Ca 0.08 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.52 3iqf h GLN 158 Cb 0.71 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.40 3iqf h GLN 158 CO 0.05 -0.14 0.65 0.93 -1.93 0.00 0.00 178.83 178.40 3iqf h GLU 159 N -0.22 1.29 -0.44 1.69 5.08 -1.17 -0.41 114.58 120.41 3iqf h GLU 159 Ca 0.07 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3iqf h GLU 159 Cb 0.31 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3iqf h GLU 159 CO -0.19 0.86 0.19 0.00 -1.00 0.00 0.00 179.01 178.87 3iqf h ALA 160 N 1.36 0.57 -0.09 3.43 0.00 -1.12 -1.17 119.26 122.24 3iqf h ALA 160 Ca 0.36 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 3iqf h ALA 160 Cb -0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3iqf h ALA 160 CO -0.08 0.16 -0.68 0.74 0.00 0.00 0.00 179.25 179.39 3iqf h PHE 161 N 0.56 0.54 -0.56 0.00 -1.00 -1.13 -2.19 116.94 113.16 3iqf h PHE 161 Ca 0.15 -0.22 -0.07 0.00 2.81 0.00 0.00 57.97 60.63 3iqf h PHE 161 Cb 0.17 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 3iqf h PHE 161 CO -0.00 0.96 0.06 -0.44 -1.61 0.00 0.00 178.31 177.28 3iqf h ASP 162 N 0.29 0.87 -0.45 2.17 3.45 -0.97 0.26 116.42 122.04 3iqf h ASP 162 Ca -0.02 -0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.21 3iqf h ASP 162 Cb 1.24 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.76 3iqf h ASP 162 CO 0.12 0.90 0.19 -0.33 -1.57 0.00 0.00 179.24 178.55 3iqf h GLU 163 N 0.86 0.66 -0.59 3.56 5.08 -1.14 -2.13 114.58 120.88 3iqf h GLU 163 Ca 0.17 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3iqf h GLU 163 Cb 0.43 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3iqf h GLU 163 CO 0.01 0.59 0.27 1.25 -1.00 0.00 0.00 179.01 180.13 3iqf h LEU 164 N 0.58 0.78 -0.58 1.33 5.85 -0.89 -2.44 115.31 119.93 3iqf h LEU 164 Ca 0.15 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3iqf h LEU 164 Cb 0.17 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3iqf h LEU 164 CO -0.01 0.71 0.34 0.40 -0.34 0.00 0.00 178.44 179.53 3iqf h ILE 165 N 0.80 1.02 -0.77 4.05 2.04 -0.42 0.54 117.51 124.77 3iqf h ILE 165 Ca 0.20 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3iqf h ILE 165 Cb 0.15 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 3iqf h ILE 165 CO -0.02 0.12 0.43 -0.33 0.00 0.00 0.00 178.15 178.35 3iqf h GLU 166 N 0.65 1.06 -0.59 2.37 4.39 -1.10 -1.35 114.58 120.01 3iqf h GLU 166 Ca 0.25 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 3iqf h GLU 166 Cb 0.08 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3iqf h GLU 166 CO -0.13 0.77 0.10 0.87 -1.16 0.00 0.00 179.01 179.46 3iqf h LYS 167 N 1.07 0.97 -0.82 2.33 1.79 -0.91 -2.57 116.57 118.43 3iqf h LYS 167 Ca 0.27 -0.25 0.11 0.00 -2.18 0.00 0.00 60.65 58.60 3iqf h LYS 167 Cb 0.01 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 30.48 3iqf h LYS 167 CO -0.05 0.91 0.53 0.00 -1.08 0.00 0.00 179.45 179.77 3iqf h ALA 168 N 1.01 1.77 0.00 3.86 0.00 -0.17 -1.68 119.26 124.06 3iqf h ALA 168 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iqf h ALA 168 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3iqf h ALA 168 CO 0.01 0.05 0.00 0.87 0.00 0.00 0.00 179.25 180.18 3iqf h LYS 169 N 0.73 0.00 -3.28 0.00 1.57 -0.85 -3.34 116.57 111.40 3iqf h LYS 169 Ca 0.38 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.52 3iqf h LYS 169 Cb 0.50 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.41 3iqf h LYS 169 CO -0.15 0.00 -0.52 -1.83 -0.57 0.00 0.00 179.45 176.37 3iqf s GLU 170 N -3.34 2.37 0.00 3.15 1.03 -0.63 -4.93 118.70 116.35 3iqf s GLU 170 Ca 0.04 -2.96 0.00 0.00 0.03 0.00 0.00 54.97 52.08 3iqf s GLU 170 Cb 0.09 -3.47 0.00 0.00 -0.80 0.00 0.00 34.13 29.95 3iqf s GLU 170 CO 0.41 -1.20 0.26 -0.25 -1.33 0.00 0.00 175.26 173.15 3iqf n ASP 171 N 2.63 0.00 -4.56 0.83 10.43 -1.26 -4.70 116.55 119.92 3iqf n ASP 171 Ca 0.13 0.26 -0.41 0.00 2.57 0.00 0.00 54.79 57.34 3iqf n ASP 171 Cb 0.34 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.27 3iqf n ASP 171 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3iqf s GLU 172 N -0.52 3.55 -0.21 -1.24 8.01 -1.26 -4.21 118.70 122.82 3iqf s GLU 172 Ca 0.00 -1.06 -0.25 0.00 0.01 0.00 0.00 54.97 53.67 3iqf s GLU 172 Cb 0.00 -5.29 -0.11 0.00 -4.31 0.00 0.00 34.13 24.42 3iqf s GLU 172 CO 0.00 -2.23 0.82 -0.89 0.01 0.00 0.00 175.26 172.97 3iqf n ILE 173 N 6.88 0.00 -3.58 -1.63 5.41 -1.26 -4.96 119.36 120.21 3iqf n ILE 173 Ca 0.32 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.86 3iqf n ILE 173 Cb 0.51 -0.21 -0.02 0.00 -0.71 0.00 0.00 39.64 39.20 3iqf n ILE 173 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3iqf s SER 174 N 1.27 5.42 0.42 4.38 1.04 -1.26 -4.94 113.70 120.02 3iqf s SER 174 Ca 0.57 -0.48 0.16 0.00 0.48 0.00 0.00 55.95 56.68 3iqf s SER 174 Cb -0.81 -0.90 1.05 0.00 0.10 0.00 0.00 66.02 65.47 3iqf s SER 174 CO 0.42 -0.49 1.88 -0.33 0.98 0.00 0.00 173.24 175.70 3iqf h GLU 175 N 1.05 0.42 0.00 4.02 5.08 -1.93 -1.14 114.58 122.08 3iqf h GLU 175 Ca -0.44 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3iqf h GLU 175 Cb 1.26 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3iqf h GLU 175 CO 0.55 0.28 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.84 3iqf h ASN 176 N 0.43 0.00 1.20 1.42 2.35 -1.97 -2.84 115.58 116.17 3iqf h ASN 176 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 3iqf h ASN 176 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3iqf h ASN 176 CO -0.16 0.09 -0.26 0.47 -1.65 0.00 0.00 177.43 175.93 3iqf n ASP 177 N -3.37 0.73 -4.73 5.81 10.43 -0.43 -4.90 116.55 120.09 3iqf n ASP 177 Ca -0.01 0.37 -0.41 0.00 2.57 0.00 0.00 54.79 57.31 3iqf n ASP 177 Cb 0.27 -0.39 -0.03 0.00 1.84 0.00 0.00 41.12 42.81 3iqf n ASP 177 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iqf s LEU 178 N -4.32 4.42 0.46 0.64 1.43 -1.07 -4.82 118.68 115.42 3iqf s LEU 178 Ca 0.09 2.24 -0.24 0.00 -1.03 0.00 0.00 54.13 55.19 3iqf s LEU 178 Cb 0.13 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.67 3iqf s LEU 178 CO 0.65 -0.46 1.31 -2.65 0.23 0.00 0.00 176.35 175.43 3iqf n PRO 179 N 2.96 1.91 -3.46 1.29 -0.02 -1.26 -4.86 135.00 131.56 3iqf n PRO 179 Ca 0.06 0.69 -0.27 0.00 -2.02 0.00 0.00 63.50 61.96 3iqf n PRO 179 Cb 0.44 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 3iqf n PRO 179 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3iqf n LYS 180 N -0.26 0.62 -4.84 -0.52 5.02 -1.22 -0.68 118.16 116.28 3iqf n LYS 180 Ca 0.07 -3.47 -0.31 0.00 -2.02 0.00 0.00 58.31 52.58 3iqf n LYS 180 Cb 0.41 -1.75 -0.14 0.00 -0.02 0.00 0.00 35.03 33.54 3iqf n LYS 180 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iqf s LEU 181 N -0.44 2.48 -0.15 -0.35 1.43 -0.11 -4.98 118.68 116.56 3iqf s LEU 181 Ca 0.32 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3iqf s LEU 181 Cb 0.04 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.83 3iqf s LEU 181 CO -0.18 0.28 -0.12 -0.69 0.23 0.00 0.00 176.35 175.88 3iqf s VAL 182 N -0.82 1.44 -0.13 -1.59 1.01 -1.26 -0.79 120.40 118.26 3iqf s VAL 182 Ca 0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3iqf s VAL 182 Cb -0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3iqf s VAL 182 CO 0.03 0.38 -0.03 -0.63 0.00 0.00 0.00 175.10 174.85 3iqf s ILE 183 N 1.53 4.02 0.10 2.22 1.01 0.13 -4.93 121.20 125.28 3iqf s ILE 183 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 3iqf s ILE 183 Cb -0.13 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.61 3iqf s ILE 183 CO -0.10 0.53 0.18 -0.90 0.00 0.00 0.00 174.94 174.65 3iqf n ASP 184 N 3.08 -0.52 -0.31 3.58 5.68 -1.26 -0.85 116.55 125.95 3iqf n ASP 184 Ca -0.18 -1.49 0.03 0.00 -0.50 0.00 0.00 54.79 52.66 3iqf n ASP 184 Cb 0.53 0.90 0.11 0.00 -1.14 0.00 0.00 41.12 41.51 3iqf n ASP 184 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3iqf h ARG 185 N 0.00 -0.01 0.00 0.11 2.43 -1.88 -1.22 114.38 113.81 3iqf h ARG 185 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3iqf h ARG 185 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3iqf h ARG 185 CO 0.11 -0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.66 3iqf n ASN 186 N -5.55 0.42 -0.21 -3.80 3.02 -1.26 -2.53 115.26 105.35 3iqf n ASN 186 Ca 0.13 0.60 0.12 0.00 -0.03 0.00 0.00 54.58 55.39 3iqf n ASN 186 Cb 0.44 -0.69 0.41 0.00 -0.61 0.00 0.00 39.78 39.33 3iqf n ASN 186 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3iqf h THR 187 N 0.00 0.87 0.00 3.41 2.02 -1.57 -1.53 112.91 116.10 3iqf h THR 187 Ca 0.00 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3iqf h THR 187 Cb 0.33 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3iqf h THR 187 CO 0.00 0.11 -0.13 -0.07 0.37 0.00 0.00 175.52 175.80 3iqf h LEU 188 N 0.62 0.00 -2.24 2.58 3.38 -1.66 -2.44 115.31 115.55 3iqf h LEU 188 Ca 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 3iqf h LEU 188 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3iqf h LEU 188 CO -0.15 0.13 -0.04 -0.07 0.09 0.00 0.00 178.44 178.40 3iqf h LEU 189 N 0.00 0.00 -2.34 1.67 3.38 -1.49 -2.09 115.31 114.45 3iqf h LEU 189 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqf h LEU 189 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3iqf h LEU 189 CO 0.02 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 3iqf n GLU 190 N -3.32 2.41 -4.32 1.13 1.02 -0.92 -4.97 120.64 111.67 3iqf n GLU 190 Ca -0.02 -2.22 -0.27 0.00 -0.02 0.00 0.00 57.16 54.64 3iqf n GLU 190 Cb 0.18 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 3iqf n GLU 190 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3iqf s ARG 191 N -1.39 2.16 -0.30 3.49 0.52 -0.79 -5.04 118.95 117.60 3iqf s ARG 191 Ca 0.36 -2.02 0.08 0.00 -0.52 0.00 0.00 55.73 53.63 3iqf s ARG 191 Cb 0.21 -1.84 0.46 0.00 0.52 0.00 0.00 34.95 34.30 3iqf s ARG 191 CO 0.29 -0.21 1.17 0.39 0.02 0.00 0.00 175.30 176.97 3iqf n GLU 192 N -1.25 3.40 -0.04 3.54 1.02 -1.26 -4.85 120.64 121.21 3iqf n GLU 192 Ca -0.05 -4.14 -0.10 0.00 -0.02 0.00 0.00 57.16 52.85 3iqf n GLU 192 Cb 0.65 -2.20 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 3iqf n GLU 192 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3iqf h GLU 193 N 2.27 0.23 -5.28 3.49 4.57 -1.96 -3.43 114.58 114.47 3iqf h GLU 193 Ca 0.31 -0.01 -0.63 0.00 -1.18 0.00 0.00 59.36 57.85 3iqf h GLU 193 Cb 1.45 -0.05 -0.19 0.00 -0.16 0.00 0.00 28.75 29.80 3iqf h GLU 193 CO 0.71 0.15 -0.61 -0.06 -1.18 0.00 0.00 179.01 178.03 3iqf s PHE 194 N -6.18 3.14 0.22 0.92 0.08 -1.26 -4.60 117.98 110.31 3iqf s PHE 194 Ca -0.13 -0.11 -0.01 0.00 0.12 0.00 0.00 56.93 56.80 3iqf s PHE 194 Cb 0.08 -2.03 0.20 0.00 -0.57 0.00 0.00 43.02 40.70 3iqf s PHE 194 CO 0.69 0.05 1.57 1.49 -0.10 0.00 0.00 175.22 178.92 3iqf h GLU 195 N 6.74 0.54 -5.31 0.44 4.22 -1.84 -3.44 114.58 115.94 3iqf h GLU 195 Ca -0.34 -0.29 -0.60 0.00 0.08 0.00 0.00 59.36 58.20 3iqf h GLU 195 Cb 1.18 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 3iqf h GLU 195 CO 0.67 0.88 -0.36 1.21 -2.18 0.00 0.00 179.01 179.23 3iqf s ASN 196 N -6.87 6.30 0.44 1.04 2.47 -1.26 -4.99 114.94 112.07 3iqf s ASN 196 Ca -0.07 0.35 0.14 0.00 0.42 0.00 0.00 52.86 53.69 3iqf s ASN 196 Cb 0.12 -2.16 0.97 0.00 -1.45 0.00 0.00 41.25 38.72 3iqf s ASN 196 CO 0.83 0.03 1.98 1.55 -3.72 0.00 0.00 177.10 177.77 3iqf h PRO 197 N 7.20 0.03 -0.03 0.43 0.13 -2.00 -2.42 132.00 135.34 3iqf h PRO 197 Ca -0.38 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.59 3iqf h PRO 197 Cb 1.16 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3iqf h PRO 197 CO 0.71 0.21 -0.67 1.88 -0.23 0.00 0.00 178.00 179.90 3iqf h TYR 198 N 0.03 0.18 -0.63 1.56 0.05 -1.98 -1.61 116.97 114.58 3iqf h TYR 198 Ca 0.01 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 3iqf h TYR 198 Cb 0.33 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 3iqf h TYR 198 CO 0.00 0.76 0.33 0.00 -1.05 0.00 0.00 178.16 178.20 3iqf h ALA 199 N 1.21 0.81 -0.66 3.88 0.00 -1.74 0.26 119.26 123.02 3iqf h ALA 199 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3iqf h ALA 199 Cb 1.20 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3iqf h ALA 199 CO 0.10 0.34 0.18 1.98 0.00 0.00 0.00 179.25 181.85 3iqf h MET 200 N 0.86 1.05 -0.03 0.00 1.85 -1.17 -0.78 114.93 116.71 3iqf h MET 200 Ca 0.22 -0.24 -0.19 0.00 -0.61 0.00 0.00 59.70 58.88 3iqf h MET 200 Cb 0.08 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 31.96 3iqf h MET 200 CO -0.03 0.93 -0.79 -0.39 -0.40 0.00 0.00 176.91 176.23 3iqf h VAL 201 N 0.98 1.43 -0.65 -5.77 -1.51 -1.09 -0.20 116.25 109.44 3iqf h VAL 201 Ca 0.21 -2.33 -0.05 0.00 -1.23 0.00 0.00 66.70 63.30 3iqf h VAL 201 Cb 0.34 2.27 -0.03 0.00 -2.13 0.00 0.00 31.29 31.73 3iqf h VAL 201 CO -0.00 0.69 0.23 0.11 -1.23 0.00 0.00 177.57 177.37 3iqf h LYS 202 N 0.19 1.00 -0.69 5.19 1.57 -0.86 0.07 116.57 123.03 3iqf h LYS 202 Ca -0.04 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 3iqf h LYS 202 Cb 1.38 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 3iqf h LYS 202 CO 0.13 0.86 0.28 0.00 -0.57 0.00 0.00 179.45 180.14 3iqf h ALA 203 N 1.09 1.19 -0.59 3.86 0.00 -0.96 -0.65 119.26 123.20 3iqf h ALA 203 Ca 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3iqf h ALA 203 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3iqf h ALA 203 CO -0.01 0.59 0.17 0.52 0.00 0.00 0.00 179.25 180.52 3iqf h MET 204 N 1.00 0.93 -0.73 0.00 2.86 -0.73 -1.67 114.93 116.59 3iqf h MET 204 Ca 0.23 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3iqf h MET 204 Cb 0.18 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3iqf h MET 204 CO -0.02 0.85 0.39 0.00 1.06 0.00 0.00 176.91 179.18 3iqf h ALA 205 N 1.05 0.94 -0.61 6.32 0.00 -0.68 -0.41 119.26 125.87 3iqf h ALA 205 Ca 0.19 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3iqf h ALA 205 Cb 0.31 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3iqf h ALA 205 CO -0.00 0.47 0.36 0.00 0.00 0.00 0.00 179.25 180.08 3iqf h ALA 206 N 1.19 0.79 -0.28 0.00 0.00 -0.87 -0.89 119.26 119.21 3iqf h ALA 206 Ca 0.26 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3iqf h ALA 206 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3iqf h ALA 206 CO -0.04 0.09 -0.37 -0.07 0.00 0.00 0.00 179.25 178.86 3iqf h LEU 207 N 0.71 0.66 -0.14 0.00 3.38 -1.01 -0.55 115.31 118.36 3iqf h LEU 207 Ca 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3iqf h LEU 207 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3iqf h LEU 207 CO -0.12 0.97 0.05 -0.08 0.09 0.00 0.00 178.44 179.36 3iqf h GLU 208 N 0.52 0.21 -0.17 1.13 4.57 -0.88 -1.20 114.58 118.76 3iqf h GLU 208 Ca 0.05 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3iqf h GLU 208 Cb 0.88 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 3iqf h GLU 208 CO 0.08 0.31 0.11 0.82 -1.18 0.00 0.00 179.01 179.15 3iqf h ILE 209 N 0.06 1.04 -0.55 2.32 2.04 -1.03 -0.09 117.51 121.30 3iqf h ILE 209 Ca 0.05 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.91 3iqf h ILE 209 Cb 0.18 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 3iqf h ILE 209 CO -0.00 0.04 0.18 0.00 0.00 0.00 0.00 178.15 178.37 3iqf h ALA 210 N 1.06 0.68 -0.80 1.87 0.00 -1.07 -0.46 119.26 120.54 3iqf h ALA 210 Ca 0.06 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3iqf h ALA 210 Cb -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3iqf h ALA 210 CO -0.02 -0.22 0.35 1.49 0.00 0.00 0.00 179.25 180.85 3iqf h GLU 211 N 0.35 1.18 0.00 0.00 4.81 -0.96 -2.47 114.58 117.50 3iqf h GLU 211 Ca 0.27 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3iqf h GLU 211 Cb 0.33 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 3iqf h GLU 211 CO -0.29 0.93 -0.15 -0.91 -0.73 0.00 0.00 179.01 177.86 3iqf h ASN 212 N 1.15 0.00 -0.98 1.04 2.35 -0.16 -2.73 115.58 116.26 3iqf h ASN 212 Ca 0.27 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.16 3iqf h ASN 212 Cb 0.17 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.45 3iqf h ASN 212 CO -0.03 0.15 0.60 0.58 -1.65 0.00 0.00 177.43 177.08 3iqf h VAL 213 N 0.00 0.84 -0.95 2.81 2.07 -0.61 -2.64 116.25 117.77 3iqf h VAL 213 Ca -0.00 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.28 3iqf h VAL 213 Cb 0.28 -0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 29.86 3iqf h VAL 213 CO 0.02 0.16 0.60 0.00 0.02 0.00 0.00 177.57 178.37 3iqf h ALA 214 N 1.56 1.32 -0.10 1.67 0.00 -1.57 -0.87 119.26 121.29 3iqf h ALA 214 Ca 0.51 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.29 3iqf h ALA 214 Cb 0.61 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3iqf h ALA 214 CO -0.31 0.36 -0.44 -0.44 0.00 0.00 0.00 179.25 178.43 3iqf h ASP 215 N 1.09 0.24 -0.13 0.00 3.45 -1.62 -0.44 116.42 119.01 3iqf h ASP 215 Ca 0.42 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.70 3iqf h ASP 215 Cb 0.19 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3iqf h ASP 215 CO -0.18 0.66 -0.21 0.58 -1.57 0.00 0.00 179.24 178.51 3iqf h VAL 216 N 0.19 1.37 -0.22 -1.35 2.07 -1.24 -1.26 116.25 115.81 3iqf h VAL 216 Ca 0.01 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.11 3iqf h VAL 216 Cb 0.85 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 3iqf h VAL 216 CO 0.07 0.43 0.01 0.28 0.02 0.00 0.00 177.57 178.38 3iqf h SER 217 N -0.04 -0.06 -0.31 0.57 0.02 -1.10 0.30 113.55 112.94 3iqf h SER 217 Ca 0.01 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3iqf h SER 217 Cb 0.79 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 3iqf h SER 217 CO 0.05 0.00 0.15 0.58 -1.14 0.00 0.00 176.83 176.47 3iqf h VAL 218 N 0.09 0.99 -0.23 2.27 2.07 -1.07 0.29 116.25 120.66 3iqf h VAL 218 Ca 0.10 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3iqf h VAL 218 Cb 0.12 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3iqf h VAL 218 CO -0.16 0.06 -0.08 -0.08 0.02 0.00 0.00 177.57 177.33 3iqf h GLU 219 N 0.32 -0.03 0.00 1.57 4.81 -0.96 0.11 114.58 120.41 3iqf h GLU 219 Ca 0.13 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 3iqf h GLU 219 Cb 0.04 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3iqf h GLU 219 CO -0.09 -0.02 -0.40 0.78 -0.73 0.00 0.00 179.01 178.55 3iqf h GLY 220 N -0.03 0.00 0.64 1.92 0.00 -0.36 -0.35 103.07 104.89 3iqf h GLY 220 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.10 3iqf h GLY 220 CO -0.25 0.00 -1.97 0.00 0.00 0.00 0.00 176.54 174.32 3iqf n PHE 222 N -3.31 0.00 -0.01 0.00 3.72 0.37 -4.89 117.46 113.34 3iqf n PHE 222 Ca -0.29 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.06 3iqf n PHE 222 Cb 1.05 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 39.46 3iqf n PHE 222 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3iqf n VAL 223 N -1.60 1.24 -2.07 -4.37 0.31 -0.88 -4.97 118.33 105.99 3iqf n VAL 223 Ca -0.01 0.24 -0.42 0.00 -0.01 0.00 0.00 64.34 64.14 3iqf n VAL 223 Cb 0.14 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.19 3iqf n VAL 223 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3iqf s GLU 224 N -2.34 4.25 -0.01 5.55 2.56 -0.19 -4.92 118.70 123.60 3iqf s GLU 224 Ca -0.12 2.17 0.13 0.00 0.00 0.00 0.00 54.97 57.14 3iqf s GLU 224 Cb 0.02 -3.50 -0.16 0.00 2.00 0.00 0.00 34.13 32.49 3iqf s GLU 224 CO 0.17 -0.62 0.43 1.04 -0.56 0.00 0.00 175.26 175.72 3iqf n GLN 225 N 5.13 1.82 -3.14 4.30 1.13 -1.26 -4.75 117.38 120.61 3iqf n GLN 225 Ca 0.14 -0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 3iqf n GLN 225 Cb 0.42 -1.18 -0.07 0.00 0.11 0.00 0.00 30.24 29.51 3iqf n GLN 225 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3iqf s ASP 226 N -2.73 6.39 0.55 1.08 3.68 -1.26 -4.96 116.67 119.43 3iqf s ASP 226 Ca 0.01 0.07 0.23 0.00 2.13 0.00 0.00 52.55 54.99 3iqf s ASP 226 Cb 0.09 -2.31 1.50 0.00 -1.45 0.00 0.00 42.92 40.75 3iqf s ASP 226 CO 0.53 -0.58 2.16 0.07 0.13 0.00 0.00 175.17 177.48 3iqf h LYS 227 N 8.49 0.00 0.00 4.34 2.10 -1.97 0.28 116.57 129.81 3iqf h LYS 227 Ca -0.27 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.38 3iqf h LYS 227 Cb 1.11 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3iqf h LYS 227 CO 0.82 0.00 -0.02 0.93 -2.00 0.00 0.00 179.45 179.18 3iqf h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -2.24 114.58 115.47 3iqf h GLU 228 Ca 0.04 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.99 3iqf h GLU 228 Cb 0.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 3iqf h GLU 228 CO -0.00 0.02 -2.44 0.54 -1.00 0.00 0.00 179.01 176.13 3iqf n ARG 229 N -3.24 0.58 0.14 2.33 1.74 0.72 -4.59 116.66 114.34 3iqf n ARG 229 Ca -0.02 0.20 -0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3iqf n ARG 229 Cb 0.17 -1.46 0.18 0.00 -1.02 0.00 0.00 32.46 30.32 3iqf n ARG 229 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3iqf h TYR 230 N -0.52 0.00 0.09 -1.55 -0.00 -0.69 -2.12 116.97 112.18 3iqf h TYR 230 Ca -0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.11 3iqf h TYR 230 Cb 1.70 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.44 3iqf h TYR 230 CO -0.03 0.60 -0.04 0.28 -0.00 0.00 0.00 178.16 178.96 3iqf h VAL 231 N 0.00 1.06 -0.94 -0.90 2.07 -1.66 -0.92 116.25 114.95 3iqf h VAL 231 Ca -0.01 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 67.06 3iqf h VAL 231 Cb 1.12 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 3iqf h VAL 231 CO 0.08 0.13 0.59 -0.65 0.02 0.00 0.00 177.57 177.74 3iqf h PRO 232 N -0.37 0.98 0.27 1.57 0.11 -1.79 -1.71 132.00 131.07 3iqf h PRO 232 Ca -0.01 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3iqf h PRO 232 Cb 0.31 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3iqf h PRO 232 CO 0.02 0.65 -0.15 0.82 -0.21 0.00 0.00 178.00 179.13 3iqf h ILE 233 N 1.01 0.69 -0.69 4.15 2.04 -1.08 -0.55 117.51 123.08 3iqf h ILE 233 Ca 0.43 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.24 3iqf h ILE 233 Cb 0.30 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3iqf h ILE 233 CO -0.21 0.00 0.23 -0.37 0.00 0.00 0.00 178.15 177.80 3iqf h VAL 234 N -0.39 1.25 -0.44 1.67 -1.51 -1.09 -2.12 116.25 113.62 3iqf h VAL 234 Ca -0.03 -0.83 -0.02 0.00 -1.23 0.00 0.00 66.70 64.58 3iqf h VAL 234 Cb 0.32 0.47 -0.02 0.00 -2.13 0.00 0.00 31.29 29.92 3iqf h VAL 234 CO 0.04 0.33 0.17 0.00 -1.23 0.00 0.00 177.57 176.88 3iqf h ALA 235 N 1.24 1.48 -0.21 5.19 0.00 -1.22 -2.44 119.26 123.29 3iqf h ALA 235 Ca 0.23 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3iqf h ALA 235 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3iqf h ALA 235 CO -0.01 0.40 -0.20 0.66 0.00 0.00 0.00 179.25 180.09 3iqf h SER 236 N 0.62 0.37 -0.82 0.00 4.64 -0.43 -1.96 113.55 115.96 3iqf h SER 236 Ca 0.15 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3iqf h SER 236 Cb 0.13 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 3iqf h SER 236 CO -0.01 0.59 0.48 0.00 -0.87 0.00 0.00 176.83 177.01 3iqf h ALA 237 N 1.45 1.28 -0.20 5.18 0.00 -1.06 -1.29 119.26 124.62 3iqf h ALA 237 Ca 0.06 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 3iqf h ALA 237 Cb 0.56 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iqf h ALA 237 CO 0.04 0.60 -0.57 0.45 0.00 0.00 0.00 179.25 179.77 3iqf h HIS 238 N 1.15 0.80 -0.89 0.00 3.86 -1.26 -1.70 115.15 117.12 3iqf h HIS 238 Ca 0.30 -0.29 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3iqf h HIS 238 Cb -0.01 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.26 3iqf h HIS 238 CO 0.01 1.05 0.50 0.93 0.86 0.00 0.00 177.93 181.28 3iqf h GLU 239 N 0.48 1.23 -0.34 2.45 4.39 -1.05 -1.41 114.58 120.33 3iqf h GLU 239 Ca 0.01 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.61 3iqf h GLU 239 Cb 1.13 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 3iqf h GLU 239 CO 0.11 0.89 0.13 0.52 -1.16 0.00 0.00 179.01 179.50 3iqf h MET 240 N 1.23 0.28 -0.81 2.33 2.86 -0.99 -2.60 114.93 117.23 3iqf h MET 240 Ca 0.31 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.91 3iqf h MET 240 Cb 0.01 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 3iqf h MET 240 CO -0.05 0.19 0.40 1.98 1.06 0.00 0.00 176.91 180.48 3iqf h MET 241 N 0.29 1.16 -0.67 1.72 1.85 -1.11 -0.15 114.93 118.02 3iqf h MET 241 Ca 0.15 -0.16 0.05 0.00 -0.61 0.00 0.00 59.70 59.13 3iqf h MET 241 Cb 0.11 -0.21 -0.05 0.00 0.43 0.00 0.00 31.60 31.88 3iqf h MET 241 CO -0.14 0.88 0.39 -0.09 -0.40 0.00 0.00 176.91 177.55 3iqf h ARG 242 N 1.16 0.72 -0.01 0.39 2.43 -1.11 -1.79 114.38 116.17 3iqf h ARG 242 Ca 0.28 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.25 3iqf h ARG 242 Cb 0.10 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3iqf h ARG 242 CO -0.04 0.48 -0.73 0.87 -1.51 0.00 0.00 179.97 179.04 3iqf h LYS 243 N 0.74 0.06 -0.96 0.20 1.79 -1.00 -2.35 116.57 115.05 3iqf h LYS 243 Ca 0.29 -0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.76 3iqf h LYS 243 Cb 0.12 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.72 3iqf h LYS 243 CO -0.15 0.77 0.62 0.00 -1.08 0.00 0.00 179.45 179.60 3iqf h ALA 244 N 1.22 1.33 -0.57 3.86 0.00 -0.67 -1.39 119.26 123.03 3iqf h ALA 244 Ca -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3iqf h ALA 244 Cb 1.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3iqf h ALA 244 CO 0.10 0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.70 3iqf h ALA 245 N 1.43 0.78 -0.54 0.00 0.00 -1.06 -1.46 119.26 118.40 3iqf h ALA 245 Ca 0.41 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3iqf h ALA 245 Cb 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3iqf h ALA 245 CO -0.17 0.66 0.14 0.93 0.00 0.00 0.00 179.25 180.82 3iqf h GLU 246 N 0.94 0.83 -0.37 0.00 5.08 -1.02 -0.02 114.58 120.02 3iqf h GLU 246 Ca 0.16 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3iqf h GLU 246 Cb 0.62 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3iqf h GLU 246 CO 0.04 0.73 0.02 -0.07 -1.00 0.00 0.00 179.01 178.74 3iqf h LEU 247 N 0.80 0.61 -0.58 1.33 3.38 -0.92 0.23 115.31 120.16 3iqf h LEU 247 Ca 0.18 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3iqf h LEU 247 Cb 0.27 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3iqf h LEU 247 CO -0.00 0.75 0.31 0.00 0.09 0.00 0.00 178.44 179.59 3iqf h ALA 248 N 0.88 0.76 -0.74 1.53 0.00 -1.11 -0.64 119.26 119.95 3iqf h ALA 248 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iqf h ALA 248 Cb 0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3iqf h ALA 248 CO 0.01 -0.02 0.41 0.22 0.00 0.00 0.00 179.25 179.88 3iqf h ASP 249 N 0.59 0.91 -0.67 0.00 3.58 -0.79 -2.10 116.42 117.95 3iqf h ASP 249 Ca 0.25 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 3iqf h ASP 249 Cb 0.14 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 3iqf h ASP 249 CO -0.16 0.74 0.38 -0.33 -2.88 0.00 0.00 179.24 176.99 3iqf h GLU 250 N 1.01 0.93 -0.30 0.28 5.08 -0.43 -0.66 114.58 120.49 3iqf h GLU 250 Ca 0.26 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3iqf h GLU 250 Cb 0.03 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3iqf h GLU 250 CO -0.04 0.69 0.04 0.00 -1.00 0.00 0.00 179.01 178.69 3iqf h ALA 251 N 1.19 0.29 -0.63 3.43 0.00 -0.92 -1.64 119.26 120.98 3iqf h ALA 251 Ca 0.24 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3iqf h ALA 251 Cb 0.02 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3iqf h ALA 251 CO -0.04 -0.38 0.04 -0.09 0.00 0.00 0.00 179.25 178.78 3iqf h ARG 252 N 0.14 1.08 -0.42 0.00 2.43 -0.93 -2.27 114.38 114.41 3iqf h ARG 252 Ca 0.14 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.95 3iqf h ARG 252 Cb 0.17 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3iqf h ARG 252 CO -0.21 1.03 0.10 0.93 -1.51 0.00 0.00 179.97 180.31 3iqf h GLU 253 N 1.00 0.63 -0.42 0.20 4.39 -0.91 -1.60 114.58 117.86 3iqf h GLU 253 Ca 0.18 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.80 3iqf h GLU 253 Cb 0.52 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 3iqf h GLU 253 CO 0.02 0.58 0.24 -0.07 -1.16 0.00 0.00 179.01 178.62 3iqf h LEU 254 N 0.61 0.37 -0.72 1.33 3.38 -0.74 -0.85 115.31 118.69 3iqf h LEU 254 Ca 0.14 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3iqf h LEU 254 Cb 0.23 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3iqf h LEU 254 CO -0.00 0.27 0.47 -0.33 0.09 0.00 0.00 178.44 178.94 3iqf h GLU 255 N 0.48 0.92 -0.86 1.13 4.39 -0.99 -2.01 114.58 117.64 3iqf h GLU 255 Ca 0.17 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.88 3iqf h GLU 255 Cb 0.03 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.41 3iqf h GLU 255 CO -0.09 0.61 0.53 0.87 -1.16 0.00 0.00 179.01 179.76 3iqf h LYS 256 N 0.95 0.92 0.00 2.33 1.57 -0.94 -0.71 116.57 120.69 3iqf h LYS 256 Ca 0.28 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3iqf h LYS 256 Cb -0.06 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 3iqf h LYS 256 CO -0.08 0.61 -0.05 0.66 -0.57 0.00 0.00 179.45 180.03 3iqf h SER 257 N 0.95 0.00 -0.44 0.86 4.64 -0.40 -0.06 113.55 119.10 3iqf h SER 257 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3iqf h SER 257 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3iqf h SER 257 CO -0.18 0.05 0.00 0.59 -0.87 0.00 0.00 176.83 176.42 3iqf n ASN 258 N -3.59 3.25 -3.87 4.97 5.03 -0.93 -4.97 115.26 115.15 3iqf n ASN 258 Ca -0.02 -1.94 -0.26 0.00 0.87 0.00 0.00 54.58 53.23 3iqf n ASN 258 Cb 0.15 -0.29 -0.00 0.00 -1.02 0.00 0.00 39.78 38.62 3iqf n ASN 258 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3iqf n ASP 259 N 1.09 -1.27 -0.72 6.41 2.03 -0.04 -4.90 116.55 119.15 3iqf n ASP 259 Ca 0.17 -0.98 0.04 0.00 0.52 0.00 0.00 54.79 54.53 3iqf n ASP 259 Cb 0.51 -3.26 0.05 0.00 -0.72 0.00 0.00 41.12 37.71 3iqf n ASP 259 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iqf n ALA 260 N -4.35 2.34 -2.06 -1.67 0.00 -0.33 -3.96 120.51 110.48 3iqf n ALA 260 Ca -0.27 -1.93 -0.43 0.00 0.00 0.00 0.00 53.44 50.80 3iqf n ALA 260 Cb 0.67 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 3iqf n ALA 260 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iqf s VAL 261 N -0.88 3.61 0.06 0.00 1.01 -1.17 -4.61 120.40 118.43 3iqf s VAL 261 Ca 0.20 0.68 -0.31 0.00 0.00 0.00 0.00 61.98 62.55 3iqf s VAL 261 Cb 0.20 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 3iqf s VAL 261 CO -0.05 -0.29 1.57 -0.22 0.00 0.00 0.00 175.10 176.10 3iqf s LEU 262 N 5.52 4.35 -0.05 3.92 2.96 -1.26 -4.27 118.68 129.86 3iqf s LEU 262 Ca 0.74 2.40 0.04 0.00 -0.22 0.00 0.00 54.13 57.09 3iqf s LEU 262 Cb -0.25 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.87 3iqf s LEU 262 CO 0.31 -0.83 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.21 3iqf s ARG 263 N 2.34 1.85 -0.52 1.98 0.52 -0.40 -5.01 118.95 119.71 3iqf s ARG 263 Ca 0.70 -0.61 0.07 0.00 -0.52 0.00 0.00 55.73 55.37 3iqf s ARG 263 Cb -0.38 -1.59 0.23 0.00 0.52 0.00 0.00 34.95 33.74 3iqf s ARG 263 CO 0.31 0.23 0.59 0.25 0.02 0.00 0.00 175.30 176.69 3iqf n THR 264 N 3.20 0.63 -2.00 0.02 -2.24 -1.26 -0.63 114.28 112.01 3iqf n THR 264 Ca -0.18 -4.49 -0.32 0.00 -2.27 0.00 0.00 64.05 56.79 3iqf n THR 264 Cb 0.53 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 3iqf n THR 264 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iqf s PRO 265 N -1.57 3.57 0.15 -0.78 0.04 -1.24 -4.63 135.00 130.53 3iqf s PRO 265 Ca 0.36 0.89 -0.22 0.00 0.04 0.00 0.00 61.00 62.07 3iqf s PRO 265 Cb 0.13 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 3iqf s PRO 265 CO -0.09 -0.59 0.70 -1.01 0.04 0.00 0.00 177.00 176.05 3iqf s HIS 266 N -2.92 3.81 0.71 0.56 3.76 -1.26 0.28 115.29 120.23 3iqf s HIS 266 Ca 0.58 1.46 -0.11 0.00 -0.15 0.00 0.00 55.06 56.83 3iqf s HIS 266 Cb -0.12 -2.64 0.02 0.00 1.11 0.00 0.00 32.58 30.95 3iqf s HIS 266 CO 0.46 0.50 1.10 0.00 -0.85 0.00 0.00 174.74 175.94 3iqf s ALA 267 N -1.23 2.87 0.55 -1.40 0.00 0.33 -4.92 121.76 117.96 3iqf s ALA 267 Ca 0.35 -0.33 0.24 0.00 0.00 0.00 0.00 51.96 52.23 3iqf s ALA 267 Cb -0.20 -3.03 1.49 0.00 0.00 0.00 0.00 23.12 21.38 3iqf s ALA 267 CO 0.23 -1.15 2.10 -1.35 0.00 0.00 0.00 175.76 175.59 3iqf h PRO 268 N -0.67 0.00 -0.10 0.00 0.11 -1.90 1.00 132.00 130.45 3iqf h PRO 268 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iqf h PRO 268 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3iqf h PRO 268 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3iqf n ASP 269 N -4.17 1.01 0.00 -2.05 5.68 -1.26 -0.03 116.55 115.73 3iqf n ASP 269 Ca 0.02 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 3iqf n ASP 269 Cb 0.31 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3iqf n ASP 269 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iqf n GLY 270 N 1.00 1.94 3.68 6.12 0.00 0.35 -4.76 105.19 113.52 3iqf n GLY 270 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 3iqf n GLY 270 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iqf n LYS 271 N -2.00 2.24 -2.89 1.61 4.81 -1.26 -4.59 118.16 116.08 3iqf n LYS 271 Ca 0.00 0.80 -0.42 0.00 -0.87 0.00 0.00 58.31 57.83 3iqf n LYS 271 Cb 0.00 -2.55 -0.04 0.00 0.02 0.00 0.00 35.03 32.46 3iqf n LYS 271 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3iqf s VAL 272 N 0.55 4.83 0.63 3.15 1.01 -1.26 -0.51 120.40 128.80 3iqf s VAL 272 Ca 0.74 1.58 0.03 0.00 0.00 0.00 0.00 61.98 64.33 3iqf s VAL 272 Cb -0.63 -4.12 0.09 0.00 0.00 0.00 0.00 36.38 31.72 3iqf s VAL 272 CO 0.42 -0.08 0.87 -0.76 0.00 0.00 0.00 175.10 175.55 3iqf s LEU 273 N 2.85 3.11 -0.04 3.92 1.43 0.14 -4.97 118.68 125.13 3iqf s LEU 273 Ca 0.35 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 3iqf s LEU 273 Cb -0.15 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.01 3iqf s LEU 273 CO 0.07 -1.51 0.23 -0.55 0.23 0.00 0.00 176.35 174.82 3iqf s SER 274 N -4.64 -0.16 0.18 2.29 0.15 -1.26 -3.63 113.70 106.63 3iqf s SER 274 Ca 0.63 0.18 -0.20 0.00 0.70 0.00 0.00 55.95 57.26 3iqf s SER 274 Cb -0.07 0.37 0.05 0.00 -1.71 0.00 0.00 66.02 64.66 3iqf s SER 274 CO 0.41 -0.27 0.56 -1.59 1.20 0.00 0.00 173.24 173.55 3iqf s LYS 275 N -0.71 1.32 0.00 5.44 -2.85 0.20 -1.61 119.74 121.54 3iqf s LYS 275 Ca -0.08 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.22 3iqf s LYS 275 Cb -0.04 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 3iqf s LYS 275 CO 0.02 -0.57 0.00 0.54 0.10 0.00 0.00 175.35 175.44 3iqf n ARG 276 N -0.35 0.00 -2.69 1.78 1.74 -1.26 -1.28 116.66 114.61 3iqf n ARG 276 Ca -0.14 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.56 3iqf n ARG 276 Cb 0.63 -0.88 -0.06 0.00 -1.02 0.00 0.00 32.46 31.14 3iqf n ARG 276 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3iqf s LYS 277 N -1.77 4.65 0.17 5.56 -0.14 -1.25 -3.03 119.74 123.93 3iqf s LYS 277 Ca 0.00 1.49 -0.15 0.00 -1.36 0.00 0.00 55.97 55.95 3iqf s LYS 277 Cb 0.00 -3.01 0.13 0.00 -1.68 0.00 0.00 37.83 33.27 3iqf s LYS 277 CO 0.00 0.31 1.70 0.35 -0.76 0.00 0.00 175.35 176.95 3iqf h PHE 278 N 3.57 0.04 -0.11 3.18 3.04 -1.91 -2.37 116.94 122.38 3iqf h PHE 278 Ca -0.46 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.52 3iqf h PHE 278 Cb 1.20 0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.76 3iqf h PHE 278 CO 0.60 -0.05 0.00 -1.33 -2.02 0.00 0.00 178.31 175.51 3iqf n MET 279 N -5.17 1.80 -2.44 1.11 2.81 -1.26 -4.88 117.12 109.10 3iqf n MET 279 Ca 0.04 -1.18 -0.42 0.00 -1.81 0.00 0.00 57.70 54.32 3iqf n MET 279 Cb 0.22 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.25 3iqf n MET 279 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3iqf s GLU 280 N -1.88 4.45 0.26 0.03 2.12 -0.89 -5.02 118.70 117.77 3iqf s GLU 280 Ca 0.35 1.76 -0.30 0.00 0.36 0.00 0.00 54.97 57.14 3iqf s GLU 280 Cb 0.20 -3.34 -0.10 0.00 0.26 0.00 0.00 34.13 31.14 3iqf s GLU 280 CO 0.30 -0.23 1.34 -0.51 -0.54 0.00 0.00 175.26 175.62 3iqf s ASP 281 N 0.97 6.80 0.21 -1.70 1.01 -1.26 -4.85 116.67 117.84 3iqf s ASP 281 Ca 0.58 2.57 -0.30 0.00 0.71 0.00 0.00 52.55 56.11 3iqf s ASP 281 Cb -0.29 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 40.92 3iqf s ASP 281 CO 0.30 -0.56 1.24 -2.16 0.21 0.00 0.00 175.17 174.19 3iqf s PRO 282 N -0.81 4.46 0.00 8.23 0.04 -1.26 -4.83 135.00 140.82 3iqf s PRO 282 Ca 0.54 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3iqf s PRO 282 Cb -0.39 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 30.94 3iqf s PRO 282 CO 0.45 -0.13 0.00 0.39 0.04 0.00 0.00 177.00 177.75