#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 3.95 0.29 12.58 1.01 -1.26 -4.65 120.40 132.31 3iqf s VAL 3 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 3iqf s VAL 3 Cb 0.00 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 3iqf s VAL 3 CO 0.00 0.19 1.00 0.00 0.00 0.00 0.00 175.10 176.29 3iqf s ALA 4 N 1.52 3.31 -0.03 5.51 0.00 0.08 -4.90 121.76 127.25 3iqf s ALA 4 Ca 0.04 0.69 0.05 0.00 0.00 0.00 0.00 51.96 52.74 3iqf s ALA 4 Cb -0.16 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3iqf s ALA 4 CO 0.02 0.05 -0.18 0.15 0.00 0.00 0.00 175.76 175.79 3iqf s LYS 5 N -1.57 1.66 0.02 0.00 1.02 -1.26 -0.79 119.74 118.82 3iqf s LYS 5 Ca 0.46 -0.65 -0.07 0.00 0.02 0.00 0.00 55.97 55.72 3iqf s LYS 5 Cb -0.26 -1.53 -0.00 0.00 -0.52 0.00 0.00 37.83 35.52 3iqf s LYS 5 CO 0.33 0.34 0.14 0.00 -0.92 0.00 0.00 175.35 175.23 3iqf s ALA 6 N -0.23 -0.24 -0.11 5.17 0.00 -1.01 0.88 121.76 126.21 3iqf s ALA 6 Ca 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 3iqf s ALA 6 Cb -0.09 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3iqf s ALA 6 CO 0.01 -0.28 -0.08 0.42 0.00 0.00 0.00 175.76 175.83 3iqf s ILE 7 N -2.11 3.59 -0.16 0.00 1.01 -1.01 -1.85 121.20 120.67 3iqf s ILE 7 Ca -0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 3iqf s ILE 7 Cb -0.04 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 3iqf s ILE 7 CO -0.02 0.54 -0.05 -0.36 0.00 0.00 0.00 174.94 175.05 3iqf s PHE 8 N -0.11 2.97 -0.18 3.97 0.40 0.58 -0.29 117.98 125.33 3iqf s PHE 8 Ca 0.01 -0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 3iqf s PHE 8 Cb -0.13 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.44 3iqf s PHE 8 CO 0.03 -0.13 -0.10 0.42 0.70 0.00 0.00 175.22 176.14 3iqf s ILE 9 N 0.50 3.05 -0.26 0.64 1.01 0.23 -1.15 121.20 125.22 3iqf s ILE 9 Ca -0.04 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.01 3iqf s ILE 9 Cb -0.15 -2.34 0.06 0.00 0.01 0.00 0.00 42.46 40.05 3iqf s ILE 9 CO 0.03 0.48 -0.09 -0.54 0.00 0.00 0.00 174.94 174.82 3iqf s LYS 10 N 1.08 2.05 -0.15 2.79 1.02 -0.36 -0.37 119.74 125.81 3iqf s LYS 10 Ca 0.00 -1.30 -0.00 0.00 0.02 0.00 0.00 55.97 54.70 3iqf s LYS 10 Cb -0.15 -2.83 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 3iqf s LYS 10 CO -0.02 -0.60 -0.09 0.00 -0.92 0.00 0.00 175.35 173.72 3iqf n GLY 12 N 4.84 -2.22 2.83 0.00 0.00 0.10 -4.25 105.19 106.49 3iqf n GLY 12 Ca -0.14 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.30 0.11 0.10 1.61 2.47 -1.26 -4.60 114.94 110.06 3iqf s ASN 13 Ca 0.00 0.01 0.04 0.00 0.42 0.00 0.00 52.86 53.33 3iqf s ASN 13 Cb 0.00 -0.06 -0.04 0.00 -1.45 0.00 0.00 41.25 39.71 3iqf s ASN 13 CO 0.00 -0.06 -0.10 -0.22 -3.72 0.00 0.00 177.10 173.00 3iqf s LEU 14 N 0.57 2.41 0.22 3.21 2.96 -1.26 -4.55 118.68 122.23 3iqf s LEU 14 Ca -0.05 -0.81 -0.08 0.00 -0.22 0.00 0.00 54.13 52.96 3iqf s LEU 14 Cb -0.07 -0.31 0.27 0.00 0.50 0.00 0.00 46.19 46.58 3iqf s LEU 14 CO -0.01 -0.26 1.82 1.23 -1.32 0.00 0.00 176.35 177.80 3iqf h GLY 15 N 3.55 1.07 1.25 7.98 0.00 -1.94 -1.38 103.07 113.60 3iqf h GLY 15 Ca -0.37 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.52 3iqf h GLY 15 CO 0.53 0.18 -0.32 -0.84 0.00 0.00 0.00 176.54 176.09 3iqf h THR 16 N 0.76 1.28 0.00 4.70 2.02 -1.96 -2.94 112.91 116.76 3iqf h THR 16 Ca 0.32 -1.48 -0.14 0.00 0.77 0.00 0.00 66.41 65.88 3iqf h THR 16 Cb 0.18 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3iqf h THR 16 CO -0.18 0.49 -0.68 0.77 0.37 0.00 0.00 175.52 176.29 3iqf h SER 17 N 0.70 0.00 -0.76 4.18 4.64 -1.88 -0.55 113.55 119.88 3iqf h SER 17 Ca 0.07 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 3iqf h SER 17 Cb 0.88 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.92 3iqf h SER 17 CO 0.08 0.68 0.48 0.24 -0.87 0.00 0.00 176.83 177.44 3iqf h MET 18 N 0.00 0.92 0.00 4.77 2.86 -1.14 -3.30 114.93 119.04 3iqf h MET 18 Ca -0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3iqf h MET 18 Cb 1.33 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3iqf h MET 18 CO 0.09 0.61 -1.38 -1.33 1.06 0.00 0.00 176.91 175.96 3iqf n MET 19 N -4.61 0.54 -0.16 1.72 2.81 -1.10 -4.75 117.12 111.56 3iqf n MET 19 Ca 0.08 -0.08 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 3iqf n MET 19 Cb 0.08 -1.45 0.06 0.00 -0.71 0.00 0.00 33.22 31.20 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 0.11 -0.62 0.03 -0.00 -1.18 -0.23 114.93 113.05 3iqf h MET 20 Ca 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.70 59.60 3iqf h MET 20 Cb 0.67 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.23 3iqf h MET 20 CO 0.00 0.07 0.02 0.38 -0.00 0.00 0.00 176.91 177.38 3iqf h ASP 21 N 0.11 1.05 0.87 -0.10 2.03 -1.85 -3.17 116.42 115.36 3iqf h ASP 21 Ca 0.26 -0.30 -0.06 0.00 -0.73 0.00 0.00 57.03 56.20 3iqf h ASP 21 Cb 0.39 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 3iqf h ASP 21 CO -0.43 1.09 -0.27 0.24 -1.03 0.00 0.00 179.24 178.84 3iqf h MET 22 N 0.98 0.00 0.00 4.15 2.86 -1.39 -2.09 114.93 119.43 3iqf h MET 22 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3iqf h MET 22 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3iqf h MET 22 CO 0.03 0.27 0.00 -0.07 1.06 0.00 0.00 176.91 178.20 3iqf h LEU 23 N 0.00 0.00 0.00 1.22 3.38 -1.31 -2.69 115.31 115.91 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 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3iqf h LEU 23 CO 0.04 0.00 -0.91 0.18 0.09 0.00 0.00 178.44 177.84 3iqf n LEU 24 N -2.49 0.78 -2.91 1.67 4.77 -0.79 -4.65 117.00 113.39 3iqf n LEU 24 Ca -0.00 -0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 55.55 3iqf n LEU 24 Cb 0.13 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3iqf n LEU 24 CO 0.17 0.18 0.08 -0.67 -1.33 0.00 0.00 177.39 175.82 3iqf n ASP 25 N -1.58 -1.35 0.30 -1.43 2.03 -1.02 -4.98 116.55 108.52 3iqf n ASP 25 Ca 0.04 -3.31 0.18 0.00 0.52 0.00 0.00 54.79 52.22 3iqf n ASP 25 Cb 0.35 0.94 0.96 0.00 -0.72 0.00 0.00 41.12 42.66 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 -0.06 -0.67 9.09 -1.80 -0.80 114.58 123.70 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 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 3iqf h GLU 26 CO 0.31 0.03 0.00 0.54 0.05 0.00 0.00 179.01 179.94 3iqf n ARG 27 N -3.35 2.87 -2.20 1.06 1.74 -1.26 -5.00 116.66 110.51 3iqf n ARG 27 Ca -0.02 -1.57 -0.19 0.00 -0.77 0.00 0.00 57.85 55.30 3iqf n ARG 27 Cb 0.15 -1.05 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 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 -0.31 -0.56 0.10 7.54 0.00 -0.31 -4.88 120.51 122.10 3iqf n ALA 28 Ca 0.02 0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.71 3iqf n ALA 28 Cb 0.27 -2.04 0.10 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.79 2.43 -4.72 0.00 5.68 -1.26 -4.98 116.55 111.90 3iqf n ASP 29 Ca -0.22 -1.75 -0.42 0.00 -0.50 0.00 0.00 54.79 51.90 3iqf n ASP 29 Cb 0.67 -0.12 -0.03 0.00 -1.14 0.00 0.00 41.12 40.50 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 4.36 0.00 0.11 0.52 -1.26 -4.44 118.95 117.29 3iqf s ARG 30 Ca 0.18 2.04 0.22 0.00 -0.52 0.00 0.00 55.73 57.64 3iqf s ARG 30 Cb 0.10 -3.23 0.06 0.00 0.52 0.00 0.00 34.95 32.39 3iqf s ARG 30 CO 0.14 -0.35 1.09 0.39 0.02 0.00 0.00 175.30 176.60 3iqf n GLU 31 N 3.42 1.60 -0.27 3.54 1.02 0.11 -4.43 120.64 125.64 3iqf n GLU 31 Ca 0.09 -1.27 0.08 0.00 -0.02 0.00 0.00 57.16 56.04 3iqf n GLU 31 Cb 0.43 -1.43 0.22 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.42 3.39 -4.04 1.62 3.85 -1.26 -4.79 116.55 115.74 3iqf n ASP 32 Ca 0.10 -2.06 -0.10 0.00 -0.71 0.00 0.00 54.79 52.02 3iqf n ASP 32 Cb 0.48 -0.34 -0.11 0.00 -1.35 0.00 0.00 41.12 39.80 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 -1.11 0.34 -0.09 2.12 -7.23 -1.26 -0.74 120.40 112.42 3iqf s VAL 33 Ca 0.34 -1.20 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 3iqf s VAL 33 Cb 0.18 -0.70 0.05 0.00 0.56 0.00 0.00 36.38 36.47 3iqf s VAL 33 CO 0.22 -0.57 0.20 -0.70 -0.31 0.00 0.00 175.10 173.94 3iqf s GLU 34 N -2.08 0.14 0.14 4.82 2.12 0.03 -4.90 118.70 118.96 3iqf s GLU 34 Ca -0.08 0.50 0.10 0.00 0.36 0.00 0.00 54.97 55.85 3iqf s GLU 34 Cb -0.06 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 3iqf s GLU 34 CO -0.02 -0.19 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.22 3iqf s PHE 35 N 1.46 2.02 0.04 5.30 2.99 -1.26 -2.41 117.98 126.12 3iqf s PHE 35 Ca -0.07 -0.41 0.08 0.00 0.00 0.00 0.00 56.93 56.54 3iqf s PHE 35 Cb -0.11 -1.07 -0.03 0.00 0.00 0.00 0.00 43.02 41.82 3iqf s PHE 35 CO -0.07 0.32 -0.24 1.03 -0.00 0.00 0.00 175.22 176.26 3iqf s ARG 36 N -2.24 1.62 -0.09 0.44 1.81 -0.77 -5.00 118.95 114.71 3iqf s ARG 36 Ca 0.13 -1.02 0.01 0.00 -1.72 0.00 0.00 55.73 53.13 3iqf s ARG 36 Cb -0.09 -1.75 0.02 0.00 -0.45 0.00 0.00 34.95 32.68 3iqf s ARG 36 CO 0.06 0.45 -0.11 0.08 -0.68 0.00 0.00 175.30 175.10 3iqf s VAL 37 N -0.78 1.18 0.07 3.52 1.01 -1.26 -0.30 120.40 123.84 3iqf s VAL 37 Ca 0.10 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3iqf s VAL 37 Cb -0.09 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3iqf s VAL 37 CO 0.02 0.38 -0.07 0.68 0.00 0.00 0.00 175.10 176.11 3iqf s VAL 38 N 1.06 0.61 -0.22 2.92 -7.23 -0.30 -4.98 120.40 112.27 3iqf s VAL 38 Ca -0.07 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 3iqf s VAL 38 Cb -0.15 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.55 3iqf s VAL 38 CO -0.01 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.71 3iqf n GLY 39 N 0.57 -1.22 0.65 2.32 0.00 -1.26 -1.23 105.19 105.03 3iqf n GLY 39 Ca -0.17 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.02 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 0.24 1.89 -3.45 2.61 -2.24 -1.14 -4.94 114.28 107.24 3iqf n THR 40 Ca 0.00 -2.85 0.00 0.00 -2.27 0.00 0.00 64.05 58.93 3iqf n THR 40 Cb 0.00 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 -0.95 0.00 0.12 3.42 2.88 -1.26 -2.95 113.62 114.88 3iqf n SER 41 Ca 0.17 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.83 3iqf n SER 41 Cb 0.74 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.66 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 0.72 -2.71 2.46 0.24 -1.26 -0.72 118.33 117.07 3iqf n VAL 42 Ca 0.00 0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.90 3iqf n VAL 42 Cb 0.00 -0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 31.42 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 -3.22 4.50 -0.03 7.34 1.02 -1.15 -3.43 119.74 124.77 3iqf s LYS 43 Ca 0.07 1.40 0.24 0.00 0.02 0.00 0.00 55.97 57.70 3iqf s LYS 43 Cb 0.11 -3.49 0.43 0.00 -0.52 0.00 0.00 37.83 34.35 3iqf s LYS 43 CO 0.47 -0.16 1.17 0.00 -0.92 0.00 0.00 175.35 175.92 3iqf n MET 44 N 4.37 0.20 -1.55 1.68 0.00 -1.26 -3.88 117.12 116.68 3iqf n MET 44 Ca 0.07 -2.17 -0.33 0.00 0.00 0.00 0.00 57.70 55.27 3iqf n MET 44 Cb 0.50 -0.20 0.07 0.00 0.00 0.00 0.00 33.22 33.59 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 -2.16 4.60 0.32 3.17 -4.77 -1.26 -3.79 116.67 112.77 3iqf s ASP 45 Ca 0.34 2.14 0.09 0.00 -3.30 0.00 0.00 52.55 51.82 3iqf s ASP 45 Cb 0.39 -2.56 0.90 0.00 -1.09 0.00 0.00 42.92 40.55 3iqf s ASP 45 CO -0.16 -1.98 1.69 -0.65 0.70 0.00 0.00 175.17 174.78 3iqf h PRO 46 N -0.26 0.42 0.15 2.11 0.11 -1.85 -0.92 132.00 131.76 3iqf h PRO 46 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3iqf h PRO 46 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iqf h PRO 46 CO 0.52 0.28 -0.07 0.93 -0.21 0.00 0.00 178.00 179.44 3iqf h GLU 47 N 0.43 -0.20 -0.63 1.05 3.07 -1.95 -0.82 114.58 115.53 3iqf h GLU 47 Ca 0.65 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.51 3iqf h GLU 47 Cb 1.31 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.24 3iqf h GLU 47 CO -0.54 -0.01 0.38 0.00 -1.40 0.00 0.00 179.01 177.43 3iqf h VAL 49 N 0.86 1.26 -0.61 0.00 2.07 -1.09 0.28 116.25 119.02 3iqf h VAL 49 Ca 0.23 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3iqf h VAL 49 Cb -0.01 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3iqf h VAL 49 CO -0.04 0.37 0.38 -0.08 0.02 0.00 0.00 177.57 178.22 3iqf h GLU 50 N 0.82 0.82 -0.74 1.57 4.81 -1.03 -0.06 114.58 120.77 3iqf h GLU 50 Ca 0.16 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3iqf h GLU 50 Cb 0.47 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 3iqf h GLU 50 CO 0.02 0.58 0.46 0.00 -0.73 0.00 0.00 179.01 179.34 3iqf h ALA 51 N 1.19 0.99 -0.02 2.92 0.00 -0.94 -0.05 119.26 123.35 3iqf h ALA 51 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3iqf h ALA 51 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3iqf h ALA 51 CO -0.04 0.22 0.01 0.00 0.00 0.00 0.00 179.25 179.43 3iqf h ALA 52 N 1.33 0.03 -0.59 0.00 0.00 -0.36 -1.61 119.26 118.06 3iqf h ALA 52 Ca 0.31 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3iqf h ALA 52 Cb 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3iqf h ALA 52 CO -0.13 -0.36 0.17 0.28 0.00 0.00 0.00 179.25 179.20 3iqf h VAL 53 N -0.18 1.23 -0.63 0.00 2.07 -0.85 -1.91 116.25 115.98 3iqf h VAL 53 Ca 0.01 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 3iqf h VAL 53 Cb 0.22 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3iqf h VAL 53 CO -0.00 0.31 0.24 -0.33 0.02 0.00 0.00 177.57 177.80 3iqf h GLU 54 N 0.87 0.95 -0.51 1.57 5.08 -0.88 0.68 114.58 122.34 3iqf h GLU 54 Ca 0.19 -0.18 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3iqf h GLU 54 Cb 0.28 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 3iqf h GLU 54 CO -0.01 0.81 0.04 0.52 -1.00 0.00 0.00 179.01 179.38 3iqf h MET 55 N 0.89 0.15 0.16 2.33 2.86 -0.94 0.97 114.93 121.36 3iqf h MET 55 Ca 0.21 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3iqf h MET 55 Cb 0.23 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3iqf h MET 55 CO -0.01 0.10 -0.10 0.00 1.06 0.00 0.00 176.91 177.96 3iqf h ALA 56 N 1.43 -0.24 -0.16 6.32 0.00 -0.70 -1.24 119.26 124.67 3iqf h ALA 56 Ca 0.26 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3iqf h ALA 56 Cb 0.38 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3iqf h ALA 56 CO -0.39 -0.64 -0.32 -0.07 0.00 0.00 0.00 179.25 177.82 3iqf h LEU 57 N -0.26 0.33 -0.28 0.00 3.38 -0.65 0.25 115.31 118.09 3iqf h LEU 57 Ca -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3iqf h LEU 57 Cb 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3iqf h LEU 57 CO 0.02 0.65 0.08 0.44 0.09 0.00 0.00 178.44 179.72 3iqf h ASP 58 N 0.29 0.42 -0.73 -0.43 3.32 -0.72 -2.78 116.42 115.78 3iqf h ASP 58 Ca 0.04 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 3iqf h ASP 58 Cb 0.72 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 3iqf h ASP 58 CO 0.05 0.52 0.25 0.40 -1.72 0.00 0.00 179.24 178.74 3iqf h ILE 59 N 0.29 1.26 -0.67 0.35 2.04 -0.83 -3.12 117.51 116.83 3iqf h ILE 59 Ca 0.09 -0.86 0.13 0.00 1.00 0.00 0.00 64.86 65.21 3iqf h ILE 59 Cb 0.25 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3iqf h ILE 59 CO -0.00 0.34 0.45 0.00 0.00 0.00 0.00 178.15 178.94 3iqf h ALA 60 N 1.12 2.10 -0.40 1.87 0.00 -0.29 0.87 119.26 124.54 3iqf h ALA 60 Ca 0.24 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.22 3iqf h ALA 60 Cb 0.27 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 3iqf h ALA 60 CO -0.01 -0.27 -0.09 0.93 0.00 0.00 0.00 179.25 179.81 3iqf h GLU 61 N 0.38 0.01 0.02 0.00 5.08 -1.43 0.25 114.58 118.89 3iqf h GLU 61 Ca 0.32 -0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.38 3iqf h GLU 61 Cb 0.72 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 3iqf h GLU 61 CO -0.09 0.00 -1.72 -0.44 -1.00 0.00 0.00 179.01 175.76 3iqf h ASP 62 N 0.01 0.08 0.38 1.42 3.32 -1.62 -3.38 116.42 116.63 3iqf h ASP 62 Ca 0.19 -0.17 -0.22 0.00 0.02 0.00 0.00 57.03 56.85 3iqf h ASP 62 Cb 0.30 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3iqf h ASP 62 CO -0.41 1.15 -0.93 0.15 -1.72 0.00 0.00 179.24 177.48 3iqf h PHE 63 N 0.01 0.55 -5.73 4.55 3.57 -0.67 -3.49 116.94 115.74 3iqf h PHE 63 Ca -0.30 -0.30 -0.25 0.00 3.53 0.00 0.00 57.97 60.66 3iqf h PHE 63 Cb 2.01 -0.06 0.10 0.00 2.79 0.00 0.00 35.95 40.79 3iqf h PHE 63 CO 0.01 1.12 -0.66 0.39 -2.23 0.00 0.00 178.31 176.95 3iqf n GLU 64 N -3.73 -1.66 -2.44 1.11 1.02 0.86 -4.96 120.64 110.84 3iqf n GLU 64 Ca -0.06 0.93 -0.35 0.00 -0.02 0.00 0.00 57.16 57.66 3iqf n GLU 64 Cb 0.83 -5.09 -0.02 0.00 -0.02 0.00 0.00 31.44 27.13 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 -4.46 3.66 0.22 3.49 0.04 -1.26 -4.84 135.00 131.84 3iqf s PRO 65 Ca 0.30 1.47 0.11 0.00 0.04 0.00 0.00 61.00 62.91 3iqf s PRO 65 Cb -0.07 -2.09 0.10 0.00 0.04 0.00 0.00 34.50 32.49 3iqf s PRO 65 CO 0.79 -0.57 1.46 -0.44 0.04 0.00 0.00 177.00 178.27 3iqf h ASP 66 N 1.49 0.00 -5.08 6.66 5.19 0.12 -3.47 116.42 121.32 3iqf h ASP 66 Ca -0.50 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.89 3iqf h ASP 66 Cb 1.24 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.64 3iqf h ASP 66 CO 0.58 0.74 0.03 0.72 -3.12 0.00 0.00 179.24 178.19 3iqf s PHE 67 N -3.12 -0.14 -0.03 4.55 -0.12 -1.19 -4.31 117.98 113.63 3iqf s PHE 67 Ca 0.01 -0.20 0.05 0.00 -0.05 0.00 0.00 56.93 56.73 3iqf s PHE 67 Cb 0.11 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 3iqf s PHE 67 CO 0.78 -0.90 -0.16 0.42 -0.05 0.00 0.00 175.22 175.30 3iqf s ILE 68 N -3.86 1.33 -0.15 -4.49 1.01 -0.05 -2.41 121.20 112.57 3iqf s ILE 68 Ca 0.09 -0.69 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 3iqf s ILE 68 Cb -0.01 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 3iqf s ILE 68 CO -0.04 0.38 -0.13 -0.69 0.00 0.00 0.00 174.94 174.47 3iqf s VAL 69 N -0.18 2.94 -0.21 2.92 1.01 0.61 -1.40 120.40 126.09 3iqf s VAL 69 Ca 0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3iqf s VAL 69 Cb -0.09 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3iqf s VAL 69 CO 0.01 0.51 0.03 -0.47 0.00 0.00 0.00 175.10 175.17 3iqf s TYR 70 N 0.68 3.08 -0.02 5.22 6.14 -0.37 0.76 117.35 132.84 3iqf s TYR 70 Ca -0.06 -0.36 0.04 0.00 0.64 0.00 0.00 57.07 57.33 3iqf s TYR 70 Cb -0.15 -2.12 -0.01 0.00 0.42 0.00 0.00 41.96 40.10 3iqf s TYR 70 CO 0.02 -0.20 -0.16 0.20 0.64 0.00 0.00 175.55 176.06 3iqf s GLY 71 N 1.03 0.80 0.00 8.97 0.00 0.51 -0.32 107.32 118.31 3iqf s GLY 71 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3iqf s GLY 71 CO 0.02 -0.45 0.00 0.61 0.00 0.00 0.00 173.10 173.29 3iqf n GLY 72 N 2.90 -2.64 3.75 0.20 0.00 -0.88 -2.62 105.19 105.90 3iqf n GLY 72 Ca -0.16 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.98 2.97 -0.33 1.61 0.02 -1.26 -4.23 135.00 131.80 3iqf s PRO 73 Ca 0.00 2.07 -0.25 0.00 0.02 0.00 0.00 61.00 62.84 3iqf s PRO 73 Cb 0.00 -2.08 0.04 0.00 0.02 0.00 0.00 34.50 32.48 3iqf s PRO 73 CO 0.00 -1.27 0.47 -1.71 -0.33 0.00 0.00 177.00 174.16 3iqf n ASN 74 N -1.37 -6.19 0.20 2.53 2.85 -1.26 -4.85 115.26 107.17 3iqf n ASN 74 Ca 0.12 0.15 0.18 0.00 -0.11 0.00 0.00 54.58 54.92 3iqf n ASN 74 Cb 0.47 -2.29 0.75 0.00 1.24 0.00 0.00 39.78 39.94 3iqf n ASN 74 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iqf h PRO 75 N 2.49 0.00 0.00 1.20 0.11 -1.86 -1.50 132.00 132.43 3iqf h PRO 75 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3iqf h PRO 75 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3iqf h PRO 75 CO 0.16 0.00 -0.29 0.00 -0.21 0.00 0.00 178.00 177.67 3iqf n ALA 76 N -2.12 2.60 -1.24 -0.75 0.00 -1.26 -3.48 120.51 114.26 3iqf n ALA 76 Ca 0.03 -0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 3iqf n ALA 76 Cb 0.55 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 2.22 0.18 0.00 0.00 -0.57 -4.73 121.76 115.74 3iqf s ALA 77 Ca 0.09 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 3iqf s ALA 77 Cb 0.13 -3.29 0.17 0.00 0.00 0.00 0.00 23.12 20.13 3iqf s ALA 77 CO 0.65 -1.80 1.66 -1.35 0.00 0.00 0.00 175.76 174.93 3iqf h PRO 78 N -1.10 0.04 0.43 0.00 0.11 -1.91 -0.33 132.00 129.24 3iqf h PRO 78 Ca -0.44 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 3iqf h PRO 78 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iqf h PRO 78 CO 0.51 0.03 -0.20 0.78 -0.21 0.00 0.00 178.00 178.90 3iqf h GLY 79 N 0.04 -0.60 1.84 -0.55 0.00 -1.84 -2.46 103.07 99.51 3iqf h GLY 79 Ca 0.24 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.79 3iqf h GLY 79 CO -0.47 -0.22 0.09 -2.55 0.00 0.00 0.00 176.54 173.39 3iqf h PRO 80 N -0.72 0.21 -0.39 4.80 0.11 -1.75 -2.20 132.00 132.06 3iqf h PRO 80 Ca -0.06 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 3iqf h PRO 80 Cb 0.52 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3iqf h PRO 80 CO 0.10 0.16 -0.01 0.77 -0.21 0.00 0.00 178.00 178.81 3iqf h SER 81 N 0.22 0.59 -0.37 -2.05 0.02 -0.87 -0.57 113.55 110.51 3iqf h SER 81 Ca 0.06 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 3iqf h SER 81 Cb 0.01 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3iqf h SER 81 CO -0.01 0.67 -0.13 0.50 -1.14 0.00 0.00 176.83 176.72 3iqf h LYS 82 N 0.59 0.75 -0.83 3.45 1.63 -0.94 -1.73 116.57 119.48 3iqf h LYS 82 Ca 0.12 -0.30 -0.03 0.00 -0.85 0.00 0.00 60.65 59.59 3iqf h LYS 82 Cb 0.39 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.95 3iqf h LYS 82 CO 0.02 0.91 0.42 0.00 -3.45 0.00 0.00 179.45 177.34 3iqf h ALA 83 N 0.82 1.16 -0.53 5.00 0.00 -0.85 -0.54 119.26 124.31 3iqf h ALA 83 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3iqf h ALA 83 Cb 0.66 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3iqf h ALA 83 CO 0.04 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.21 3iqf h ARG 84 N 1.18 0.75 0.26 0.00 3.08 -1.03 -0.17 114.38 118.46 3iqf h ARG 84 Ca 0.29 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3iqf h ARG 84 Cb 0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3iqf h ARG 84 CO -0.04 0.61 -0.18 1.49 -1.07 0.00 0.00 179.97 180.78 3iqf h GLU 85 N 0.71 -0.42 -0.51 0.04 4.81 -0.93 0.23 114.58 118.51 3iqf h GLU 85 Ca 0.18 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3iqf h GLU 85 Cb 0.09 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3iqf h GLU 85 CO -0.03 -0.28 0.33 0.52 -0.73 0.00 0.00 179.01 178.83 3iqf h MET 86 N -0.43 0.67 -0.24 1.92 2.86 -1.02 -1.80 114.93 116.89 3iqf h MET 86 Ca -0.02 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.40 3iqf h MET 86 Cb 0.37 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3iqf h MET 86 CO 0.01 0.44 -0.56 -0.07 1.06 0.00 0.00 176.91 177.80 3iqf h LEU 87 N 0.68 0.81 -1.09 1.22 3.38 -0.90 -2.15 115.31 117.26 3iqf h LEU 87 Ca 0.18 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3iqf h LEU 87 Cb -0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3iqf h LEU 87 CO -0.04 1.19 0.09 0.00 0.09 0.00 0.00 178.44 179.78 3iqf h ALA 88 N 0.82 1.26 0.00 1.53 0.00 -0.44 -2.64 119.26 119.79 3iqf h ALA 88 Ca 0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3iqf h ALA 88 Cb 1.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3iqf h ALA 88 CO 0.11 0.51 -0.41 -0.44 0.00 0.00 0.00 179.25 179.03 3iqf h ASP 89 N 0.71 0.00 -4.14 0.00 3.32 -1.18 -3.46 116.42 111.67 3iqf h ASP 89 Ca 0.16 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.75 3iqf h ASP 89 Cb 0.30 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.99 3iqf h ASP 89 CO 0.00 0.41 0.27 -0.94 -1.72 0.00 0.00 179.24 177.27 3iqf s SER 90 N -6.84 3.24 0.12 6.45 1.04 -0.82 -4.96 113.70 111.92 3iqf s SER 90 Ca -0.02 0.98 0.26 0.00 0.48 0.00 0.00 55.95 57.65 3iqf s SER 90 Cb 0.14 -1.56 0.98 0.00 0.10 0.00 0.00 66.02 65.68 3iqf s SER 90 CO 0.72 -2.72 1.81 -1.84 0.98 0.00 0.00 173.24 172.19 3iqf n GLU 91 N -3.88 0.14 -3.36 4.02 0.28 -1.26 -4.86 120.64 111.71 3iqf n GLU 91 Ca 0.06 0.15 -0.38 0.00 -0.16 0.00 0.00 57.16 56.84 3iqf n GLU 91 Cb 0.59 -1.67 -0.06 0.00 1.43 0.00 0.00 31.44 31.73 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 -3.07 3.59 0.33 -1.84 2.02 -1.26 -5.04 117.35 112.07 3iqf s TYR 92 Ca 0.11 0.94 -0.29 0.00 -0.37 0.00 0.00 57.07 57.46 3iqf s TYR 92 Cb 0.14 -2.48 -0.12 0.00 -0.40 0.00 0.00 41.96 39.10 3iqf s TYR 92 CO 0.53 0.32 1.39 -2.30 -1.57 0.00 0.00 175.55 173.92 3iqf n PRO 93 N 3.07 2.33 -3.97 -1.71 -0.02 -1.26 -4.83 135.00 128.61 3iqf n PRO 93 Ca -0.09 0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 62.12 3iqf n PRO 93 Cb 0.52 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 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 -0.83 0.11 -0.05 3.55 0.00 -1.26 -0.87 121.76 122.40 3iqf s ALA 94 Ca 0.57 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.05 3iqf s ALA 94 Cb -0.55 0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.71 3iqf s ALA 94 CO 0.59 -0.14 -0.15 0.08 0.00 0.00 0.00 175.76 176.14 3iqf s VAL 95 N -1.29 1.33 -0.29 0.00 1.01 -0.49 -0.92 120.40 119.75 3iqf s VAL 95 Ca -0.14 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 3iqf s VAL 95 Cb -0.09 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3iqf s VAL 95 CO -0.01 0.39 0.16 -0.63 0.00 0.00 0.00 175.10 175.02 3iqf s ILE 96 N 0.30 4.98 -0.23 2.22 -1.09 0.12 -1.23 121.20 126.27 3iqf s ILE 96 Ca -0.09 -0.04 -0.13 0.00 -2.23 0.00 0.00 60.65 58.16 3iqf s ILE 96 Cb -0.13 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 3iqf s ILE 96 CO 0.03 0.21 0.26 -0.63 -1.23 0.00 0.00 174.94 173.58 3iqf s ILE 97 N 1.70 5.29 0.00 2.92 -1.09 0.57 -0.85 121.20 129.75 3iqf s ILE 97 Ca 0.06 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 3iqf s ILE 97 Cb -0.16 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 3iqf s ILE 97 CO 0.09 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 3iqf n GLY 98 N 4.15 3.70 0.31 6.18 0.00 -0.57 -2.08 105.19 116.88 3iqf n GLY 98 Ca -0.12 -1.07 -0.03 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.31 1.82 -0.25 1.61 3.85 -1.26 -1.03 116.55 120.97 3iqf n ASP 99 Ca 0.00 -1.19 -0.04 0.00 -0.71 0.00 0.00 54.79 52.84 3iqf n ASP 99 Cb 0.00 0.05 0.06 0.00 -1.35 0.00 0.00 41.12 39.88 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 1.03 0.91 -0.33 2.12 0.00 -1.79 -1.39 119.26 119.81 3iqf h ALA 100 Ca -0.03 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3iqf h ALA 100 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3iqf h ALA 100 CO 0.06 0.29 0.48 -1.35 0.00 0.00 0.00 179.25 178.73 3iqf h PRO 101 N 0.93 0.00 0.00 0.00 0.10 -1.96 -0.58 132.00 130.50 3iqf h PRO 101 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.37 3iqf h PRO 101 Cb -0.08 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.02 3iqf h PRO 101 CO -0.07 0.00 0.00 0.78 0.10 0.00 0.00 178.00 178.81 3iqf h GLY 102 N 0.00 0.00 1.55 -0.55 0.00 -1.60 -2.78 103.07 99.68 3iqf h GLY 102 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.51 3iqf h GLY 102 CO -0.00 0.00 0.24 1.41 0.00 0.00 0.00 176.54 178.19 3iqf h LEU 103 N 0.00 0.33 -2.17 3.11 3.38 -1.26 -2.18 115.31 116.52 3iqf h LEU 103 Ca 0.00 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3iqf h LEU 103 Cb 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3iqf h LEU 103 CO 0.00 0.23 0.13 0.11 0.09 0.00 0.00 178.44 179.00 3iqf h LYS 104 N 0.39 0.00 -0.16 1.13 1.57 -1.71 -2.77 116.57 115.01 3iqf h LYS 104 Ca 0.15 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3iqf h LYS 104 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3iqf h LYS 104 CO -0.03 0.00 -0.10 1.33 -0.57 0.00 0.00 179.45 180.07 3iqf n VAL 105 N -4.14 2.22 -0.06 0.50 0.24 -0.83 -4.74 118.33 111.53 3iqf n VAL 105 Ca 0.01 -2.45 -0.11 0.00 -2.04 0.00 0.00 64.34 59.74 3iqf n VAL 105 Cb 0.25 -0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.30 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 0.92 0.30 -0.42 7.34 3.64 -1.42 0.03 116.57 126.95 3iqf h LYS 106 Ca 0.06 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 3iqf h LYS 106 Cb 1.29 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 3iqf h LYS 106 CO 0.16 0.47 -0.22 -0.44 -2.27 0.00 0.00 179.45 177.15 3iqf h ASP 107 N 0.08 0.85 -0.23 4.20 5.19 -1.85 -1.92 116.42 122.74 3iqf h ASP 107 Ca 0.05 -0.31 0.02 0.00 -0.62 0.00 0.00 57.03 56.18 3iqf h ASP 107 Cb 0.32 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 3iqf h ASP 107 CO 0.00 1.04 0.09 -0.08 -3.12 0.00 0.00 179.24 177.17 3iqf h GLU 108 N 0.73 0.19 -0.83 3.56 4.81 -1.86 -1.02 114.58 120.16 3iqf h GLU 108 Ca 0.10 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3iqf h GLU 108 Cb 0.74 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 3iqf h GLU 108 CO 0.06 0.13 0.53 0.52 -0.73 0.00 0.00 179.01 179.52 3iqf h MET 109 N 0.20 1.00 -0.60 1.92 2.86 -0.80 0.14 114.93 119.64 3iqf h MET 109 Ca 0.10 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3iqf h MET 109 Cb 0.06 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 3iqf h MET 109 CO -0.10 0.66 0.28 0.93 1.06 0.00 0.00 176.91 179.74 3iqf h GLU 110 N 1.03 0.87 -0.53 1.72 5.08 -1.06 -1.40 114.58 120.29 3iqf h GLU 110 Ca 0.33 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3iqf h GLU 110 Cb 0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3iqf h GLU 110 CO -0.12 0.72 0.09 1.49 -1.00 0.00 0.00 179.01 180.19 3iqf h GLU 111 N 0.82 0.83 0.00 2.33 4.81 -0.63 -1.48 114.58 121.26 3iqf h GLU 111 Ca 0.21 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3iqf h GLU 111 Cb 0.14 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3iqf h GLU 111 CO -0.02 0.77 0.00 1.04 -0.73 0.00 0.00 179.01 180.07 3iqf n GLN 112 N -4.26 0.14 -1.69 1.92 6.02 0.42 -4.88 117.38 115.07 3iqf n GLN 112 Ca 0.04 0.17 -0.05 0.00 -0.01 0.00 0.00 57.00 57.15 3iqf n GLN 112 Cb 0.25 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 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 0.07 0.42 3.86 1.08 0.00 -0.56 -4.74 105.19 105.31 3iqf n GLY 113 Ca 0.06 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.26 4.16 0.65 0.99 1.43 -0.57 -4.75 118.68 119.34 3iqf s LEU 114 Ca 0.00 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 3iqf s LEU 114 Cb 0.00 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.66 3iqf s LEU 114 CO 0.00 0.24 1.01 -0.83 0.23 0.00 0.00 176.35 176.99 3iqf s GLY 115 N -2.05 1.62 -0.06 -3.19 0.00 -0.10 -4.38 107.32 99.16 3iqf s GLY 115 Ca 0.28 -0.51 -0.18 0.00 0.00 0.00 0.00 44.72 44.31 3iqf s GLY 115 CO 0.20 -0.18 0.41 -2.52 0.00 0.00 0.00 173.10 171.01 3iqf s TYR 116 N -3.19 -0.35 -0.21 1.90 1.13 0.20 0.15 117.35 116.98 3iqf s TYR 116 Ca 0.56 0.65 -0.02 0.00 -1.41 0.00 0.00 57.07 56.85 3iqf s TYR 116 Cb -0.11 0.18 0.07 0.00 -1.10 0.00 0.00 41.96 40.99 3iqf s TYR 116 CO 0.49 -0.40 0.03 0.42 -2.51 0.00 0.00 175.55 173.58 3iqf s ILE 117 N -0.94 0.68 -0.27 -3.49 1.01 -0.03 -0.97 121.20 117.19 3iqf s ILE 117 Ca -0.10 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 3iqf s ILE 117 Cb -0.04 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3iqf s ILE 117 CO 0.05 -0.26 0.09 -0.76 0.00 0.00 0.00 174.94 174.06 3iqf s LEU 118 N 1.78 3.69 -0.53 2.97 1.43 0.01 -1.51 118.68 126.51 3iqf s LEU 118 Ca -0.00 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.67 3iqf s LEU 118 Cb -0.17 -1.94 0.14 0.00 0.03 0.00 0.00 46.19 44.25 3iqf s LEU 118 CO -0.10 -0.10 0.37 -0.69 0.23 0.00 0.00 176.35 176.06 3iqf s VAL 119 N 1.60 3.93 0.22 -1.59 1.01 -0.20 -0.14 120.40 125.23 3iqf s VAL 119 Ca 0.05 -2.26 -0.09 0.00 0.00 0.00 0.00 61.98 59.68 3iqf s VAL 119 Cb -0.16 -3.59 0.16 0.00 0.00 0.00 0.00 36.38 32.79 3iqf s VAL 119 CO 0.04 -0.80 1.83 0.11 0.00 0.00 0.00 175.10 176.28 3iqf h LYS 120 N 7.87 0.78 0.00 2.72 1.57 -1.41 -1.54 116.57 126.56 3iqf h LYS 120 Ca -0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3iqf h LYS 120 Cb 1.03 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3iqf h LYS 120 CO 0.76 0.52 0.00 -2.30 -0.57 0.00 0.00 179.45 177.86 3iqf n PRO 121 N -4.71 0.05 -1.64 3.15 -0.02 -1.26 -4.34 135.00 126.23 3iqf n PRO 121 Ca 0.09 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 3iqf n PRO 121 Cb 0.15 -1.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.71 3.56 -4.75 2.55 -0.08 -0.58 -4.33 116.55 111.20 3iqf n ASP 122 Ca 0.02 -2.80 -0.40 0.00 -1.51 0.00 0.00 54.79 50.10 3iqf n ASP 122 Cb 0.11 -1.52 -0.06 0.00 2.34 0.00 0.00 41.12 41.99 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 3.91 3.34 0.34 -1.67 0.00 -1.26 -4.78 121.76 121.64 3iqf s ALA 123 Ca 0.51 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3iqf s ALA 123 Cb 0.13 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.92 3iqf s ALA 123 CO -0.02 0.19 1.43 -0.12 0.00 0.00 0.00 175.76 177.24 3iqf n MET 124 N 1.56 2.43 -2.38 0.00 1.56 -1.26 -4.90 117.12 114.12 3iqf n MET 124 Ca -0.02 0.85 -0.26 0.00 -0.27 0.00 0.00 57.70 58.01 3iqf n MET 124 Cb 0.47 -2.53 0.15 0.00 2.15 0.00 0.00 33.22 33.46 3iqf n MET 124 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 3iqf n LEU 125 N 0.97 0.00 -3.99 -0.89 -0.00 -1.26 -4.45 117.00 107.37 3iqf n LEU 125 Ca 0.04 -1.93 -0.43 0.00 -0.00 0.00 0.00 56.01 53.69 3iqf n LEU 125 Cb 0.37 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 3iqf n LEU 125 CO 0.63 -1.16 1.88 0.61 -0.00 0.00 0.00 177.39 179.35 3iqf n GLY 126 N -3.21 4.42 2.82 1.47 0.00 -1.26 -4.85 105.19 104.58 3iqf n GLY 126 Ca 0.17 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 4.42 5.37 -3.11 4.61 0.00 -1.26 -4.25 120.51 126.29 3iqf n ALA 127 Ca 0.40 -4.02 -0.31 0.00 0.00 0.00 0.00 53.44 49.51 3iqf n ALA 127 Cb 0.38 -3.36 -0.17 0.00 0.00 0.00 0.00 19.45 16.30 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 2.34 2.68 0.50 0.00 1.81 -1.26 -4.95 118.95 120.07 3iqf s ARG 128 Ca 0.45 -0.81 0.23 0.00 -1.72 0.00 0.00 55.73 53.87 3iqf s ARG 128 Cb 0.12 -2.10 1.29 0.00 -0.45 0.00 0.00 34.95 33.81 3iqf s ARG 128 CO -0.05 0.21 1.97 -0.09 -0.68 0.00 0.00 175.30 176.66 3iqf h ARG 129 N 6.55 0.13 0.00 3.54 2.43 -1.90 0.25 114.38 125.39 3iqf h ARG 129 Ca -0.24 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 3iqf h ARG 129 Cb 1.21 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3iqf h ARG 129 CO 0.47 0.09 -0.07 0.93 -1.51 0.00 0.00 179.97 179.88 3iqf h GLU 130 N 0.13 0.00 0.00 0.20 3.07 -1.96 -3.35 114.58 112.67 3iqf h GLU 130 Ca 0.30 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.09 3iqf h GLU 130 Cb 1.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 3iqf h GLU 130 CO -0.04 0.07 -1.18 0.34 -1.40 0.00 0.00 179.01 176.80 3iqf n PHE 131 N -3.23 0.00 -2.77 4.33 7.35 -0.35 -4.97 117.46 117.83 3iqf n PHE 131 Ca -0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.26 3iqf n PHE 131 Cb 0.31 -0.15 -0.03 0.00 0.35 0.00 0.00 39.48 39.95 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 -6.29 4.15 0.55 -2.13 2.96 0.75 -4.86 118.68 113.80 3iqf s LEU 132 Ca -0.06 -1.16 0.07 0.00 -0.22 0.00 0.00 54.13 52.75 3iqf s LEU 132 Cb 0.02 -2.46 0.07 0.00 0.50 0.00 0.00 46.19 44.31 3iqf s LEU 132 CO 0.08 -1.45 0.76 1.51 -1.32 0.00 0.00 176.35 175.92 3iqf s ASP 133 N 3.87 5.16 0.24 3.68 -4.77 -1.26 -4.69 116.67 118.90 3iqf s ASP 133 Ca 0.30 -0.56 -0.04 0.00 -3.30 0.00 0.00 52.55 48.95 3iqf s ASP 133 Cb -0.10 -0.15 0.43 0.00 -1.09 0.00 0.00 42.92 42.00 3iqf s ASP 133 CO 0.04 -1.24 1.77 -0.65 0.70 0.00 0.00 175.17 175.80 3iqf h PRO 134 N 0.19 0.61 -0.46 2.11 0.11 -1.99 -0.69 132.00 131.87 3iqf h PRO 134 Ca -0.35 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3iqf h PRO 134 Cb 1.28 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3iqf h PRO 134 CO 0.43 0.40 0.23 0.28 -0.21 0.00 0.00 178.00 179.13 3iqf h VAL 135 N 0.63 1.18 -0.58 3.15 2.07 -1.98 -1.31 116.25 119.41 3iqf h VAL 135 Ca 0.40 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3iqf h VAL 135 Cb 0.49 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3iqf h VAL 135 CO -0.31 0.20 0.27 -0.08 0.02 0.00 0.00 177.57 177.67 3iqf h GLU 136 N 0.60 0.84 -0.68 1.57 4.57 -1.78 0.59 114.58 120.29 3iqf h GLU 136 Ca 0.16 -0.13 0.10 0.00 -1.18 0.00 0.00 59.36 58.31 3iqf h GLU 136 Cb 0.11 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.48 3iqf h GLU 136 CO -0.02 0.69 0.31 1.98 -1.18 0.00 0.00 179.01 180.79 3iqf h MET 137 N 0.79 0.52 -0.43 1.92 4.05 -0.96 -0.61 114.93 120.21 3iqf h MET 137 Ca 0.20 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.45 3iqf h MET 137 Cb 0.14 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 3iqf h MET 137 CO -0.02 0.34 -0.26 0.00 0.23 0.00 0.00 176.91 177.20 3iqf h ALA 138 N 1.43 0.61 -0.18 0.39 0.00 -0.87 -1.74 119.26 118.91 3iqf h ALA 138 Ca 0.34 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3iqf h ALA 138 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3iqf h ALA 138 CO -0.29 0.62 -0.01 0.82 0.00 0.00 0.00 179.25 180.40 3iqf h ILE 139 N 0.76 0.87 -0.61 0.00 2.04 -0.46 -0.73 117.51 119.38 3iqf h ILE 139 Ca 0.09 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.96 3iqf h ILE 139 Cb 0.84 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3iqf h ILE 139 CO 0.07 0.01 0.37 0.22 0.00 0.00 0.00 178.15 178.83 3iqf h TYR 140 N 0.05 0.70 -0.54 1.37 3.20 -1.04 -1.25 116.97 119.45 3iqf h TYR 140 Ca 0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3iqf h TYR 140 Cb 0.11 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3iqf h TYR 140 CO -0.17 0.40 0.23 -0.91 -1.64 0.00 0.00 178.16 176.07 3iqf h ASN 141 N 0.74 0.70 -0.20 -2.11 2.35 -1.03 0.31 115.58 116.33 3iqf h ASN 141 Ca 0.25 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3iqf h ASN 141 Cb 0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3iqf h ASN 141 CO -0.10 0.62 0.08 0.00 -1.65 0.00 0.00 177.43 176.38 3iqf h ALA 142 N 1.49 0.26 -0.36 -0.83 0.00 -0.30 0.14 119.26 119.65 3iqf h ALA 142 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iqf h ALA 142 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3iqf h ALA 142 CO -0.02 -0.14 0.21 -0.44 0.00 0.00 0.00 179.25 178.86 3iqf h ASP 143 N 0.17 0.44 -0.68 0.00 3.32 -0.95 -2.27 116.42 116.45 3iqf h ASP 143 Ca 0.07 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3iqf h ASP 143 Cb 0.18 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3iqf h ASP 143 CO -0.01 0.38 0.22 0.25 -1.72 0.00 0.00 179.24 178.36 3iqf h LEU 144 N 0.47 0.98 -0.74 1.55 5.85 -0.81 -1.71 115.31 120.90 3iqf h LEU 144 Ca 0.13 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3iqf h LEU 144 Cb 0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3iqf h LEU 144 CO -0.02 0.92 0.16 -0.03 -0.34 0.00 0.00 178.44 179.13 3iqf h MET 145 N 0.99 1.12 -0.21 1.25 4.05 -0.91 -0.35 114.93 120.85 3iqf h MET 145 Ca 0.22 -0.27 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3iqf h MET 145 Cb 0.29 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 3iqf h MET 145 CO -0.01 0.99 0.04 -0.22 0.23 0.00 0.00 176.91 177.94 3iqf h LYS 146 N 1.06 0.12 0.32 0.39 1.63 -1.17 -0.78 116.57 118.13 3iqf h LYS 146 Ca 0.22 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 3iqf h LYS 146 Cb 0.38 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 3iqf h LYS 146 CO 0.00 0.08 -0.24 0.28 -3.45 0.00 0.00 179.45 176.12 3iqf h VAL 147 N 0.12 0.50 -0.06 2.00 2.07 -0.74 0.82 116.25 120.96 3iqf h VAL 147 Ca 0.10 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 3iqf h VAL 147 Cb 0.10 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3iqf h VAL 147 CO -0.13 0.00 -0.29 -0.07 0.02 0.00 0.00 177.57 177.10 3iqf h LEU 148 N -0.56 0.10 0.23 2.57 3.38 -1.02 -1.77 115.31 118.25 3iqf h LEU 148 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3iqf h LEU 148 Cb 0.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3iqf h LEU 148 CO -0.00 0.39 -0.11 0.00 0.09 0.00 0.00 178.44 178.81 3iqf h ALA 149 N 1.62 -0.31 0.00 1.53 0.00 -1.00 -1.48 119.26 119.62 3iqf h ALA 149 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iqf h ALA 149 Cb 0.56 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3iqf h ALA 149 CO 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 178.98 3iqf h ALA 150 N -0.92 1.00 0.00 0.00 0.00 -0.80 -2.29 119.26 116.25 3iqf h ALA 150 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iqf h ALA 150 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3iqf h ALA 150 CO 0.05 0.00 -0.33 0.25 0.00 0.00 0.00 179.25 179.22 3iqf n THR 151 N -2.69 0.23 -0.06 0.00 -2.24 -0.67 -4.74 114.28 104.11 3iqf n THR 151 Ca 0.02 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3iqf n THR 151 Cb 0.32 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.41 0.48 0.15 3.38 0.00 -0.86 -4.97 105.19 104.77 3iqf n GLY 152 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 1.00 0.00 1.61 2.07 -1.57 -2.00 116.25 117.36 3iqf h VAL 153 Ca 0.00 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3iqf h VAL 153 Cb 0.00 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3iqf h VAL 153 CO 0.00 0.06 -0.18 -0.26 0.02 0.00 0.00 177.57 177.22 3iqf h PHE 154 N 0.35 0.00 -0.37 1.57 0.05 -1.56 -1.24 116.94 115.74 3iqf h PHE 154 Ca 0.13 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.83 3iqf h PHE 154 Cb 0.04 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 37.97 3iqf h PHE 154 CO -0.09 0.18 -0.14 -0.09 -0.18 0.00 0.00 178.31 177.98 3iqf h ARG 155 N 0.00 0.68 -0.62 1.51 2.43 -1.66 0.53 114.38 117.25 3iqf h ARG 155 Ca -0.00 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 3iqf h ARG 155 Cb 0.36 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3iqf h ARG 155 CO 0.02 0.79 0.23 0.28 -1.51 0.00 0.00 179.97 179.79 3iqf h VAL 156 N 0.61 1.24 -0.34 0.20 2.07 -0.89 -0.98 116.25 118.15 3iqf h VAL 156 Ca 0.10 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 3iqf h VAL 156 Cb 0.60 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3iqf h VAL 156 CO 0.04 0.29 -0.03 0.58 0.02 0.00 0.00 177.57 178.48 3iqf h VAL 157 N 0.87 1.27 -0.09 2.57 2.07 -1.20 -2.00 116.25 119.74 3iqf h VAL 157 Ca 0.21 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3iqf h VAL 157 Cb 0.23 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3iqf h VAL 157 CO -0.01 0.34 -0.14 -0.61 0.02 0.00 0.00 177.57 177.17 3iqf h GLN 158 N 0.42 -0.18 -0.83 1.57 4.15 -0.75 -2.14 115.11 117.34 3iqf h GLN 158 Ca 0.09 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.58 3iqf h GLN 158 Cb 0.50 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.17 3iqf h GLN 158 CO 0.02 -0.12 0.52 0.93 -1.93 0.00 0.00 178.83 178.25 3iqf h GLU 159 N -0.19 0.93 -0.42 1.69 5.08 -1.07 -0.27 114.58 120.32 3iqf h GLU 159 Ca 0.08 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3iqf h GLU 159 Cb 0.30 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3iqf h GLU 159 CO -0.20 0.61 0.16 0.00 -1.00 0.00 0.00 179.01 178.58 3iqf h ALA 160 N 1.39 0.55 -0.24 3.43 0.00 -0.95 -1.61 119.26 121.83 3iqf h ALA 160 Ca 0.36 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 3iqf h ALA 160 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3iqf h ALA 160 CO -0.16 0.17 -0.59 0.74 0.00 0.00 0.00 179.25 179.41 3iqf h PHE 161 N 0.54 0.98 -0.97 0.00 -1.00 -1.22 -2.24 116.94 113.04 3iqf h PHE 161 Ca 0.14 -0.37 0.02 0.00 2.81 0.00 0.00 57.97 60.58 3iqf h PHE 161 Cb 0.22 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 39.54 3iqf h PHE 161 CO 0.00 1.17 0.64 -0.44 -1.61 0.00 0.00 178.31 178.08 3iqf h ASP 162 N 0.58 1.09 -0.47 2.17 3.45 -0.95 0.30 116.42 122.59 3iqf h ASP 162 Ca 0.00 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.40 3iqf h ASP 162 Cb 1.18 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.67 3iqf h ASP 162 CO 0.12 0.77 0.12 -0.33 -1.57 0.00 0.00 179.24 178.35 3iqf h GLU 163 N 1.27 0.75 -0.63 3.56 5.08 -1.22 -1.71 114.58 121.68 3iqf h GLU 163 Ca 0.37 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3iqf h GLU 163 Cb -0.07 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3iqf h GLU 163 CO -0.10 0.74 0.27 1.25 -1.00 0.00 0.00 179.01 180.17 3iqf h LEU 164 N 0.64 0.86 -0.66 1.33 5.85 -0.76 -2.29 115.31 120.27 3iqf h LEU 164 Ca 0.15 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3iqf h LEU 164 Cb 0.32 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3iqf h LEU 164 CO 0.00 0.78 0.42 0.40 -0.34 0.00 0.00 178.44 179.70 3iqf h ILE 165 N 0.88 1.12 -0.75 4.05 2.04 -0.33 -0.18 117.51 124.35 3iqf h ILE 165 Ca 0.21 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3iqf h ILE 165 Cb 0.17 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 3iqf h ILE 165 CO -0.02 0.15 0.42 -0.33 0.00 0.00 0.00 178.15 178.37 3iqf h GLU 166 N 0.85 1.04 -0.39 2.37 4.39 -1.04 -1.41 114.58 120.38 3iqf h GLU 166 Ca 0.26 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.73 3iqf h GLU 166 Cb -0.03 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 3iqf h GLU 166 CO -0.08 0.76 -0.23 0.87 -1.16 0.00 0.00 179.01 179.16 3iqf h LYS 167 N 1.05 0.78 -0.72 2.33 1.79 -0.89 -2.51 116.57 118.39 3iqf h LYS 167 Ca 0.27 -0.32 0.06 0.00 -2.18 0.00 0.00 60.65 58.48 3iqf h LYS 167 Cb 0.02 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 3iqf h LYS 167 CO -0.04 0.93 0.48 0.00 -1.08 0.00 0.00 179.45 179.73 3iqf h ALA 168 N 1.06 1.70 0.00 3.86 0.00 -0.45 -2.16 119.26 123.28 3iqf h ALA 168 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iqf h ALA 168 Cb 0.74 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3iqf h ALA 168 CO 0.06 0.19 0.00 1.63 0.00 0.00 0.00 179.25 181.13 3iqf n LYS 169 N -4.48 0.22 -1.68 0.00 5.02 -0.59 -1.93 118.16 114.72 3iqf n LYS 169 Ca 0.11 0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 56.47 3iqf n LYS 169 Cb 0.22 -1.86 0.05 0.00 -0.02 0.00 0.00 35.03 33.42 3iqf n LYS 169 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3iqf n GLU 170 N -2.27 3.16 0.00 1.97 0.00 -0.82 -4.92 120.64 117.76 3iqf n GLU 170 Ca 0.03 -3.75 0.00 0.00 0.00 0.00 0.00 57.16 53.45 3iqf n GLU 170 Cb 0.29 -2.28 0.00 0.00 0.00 0.00 0.00 31.44 29.45 3iqf n GLU 170 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3iqf n ASP 171 N -0.81 0.00 -3.51 -1.84 4.64 -0.81 -4.75 116.55 109.46 3iqf n ASP 171 Ca 0.53 0.00 -0.40 0.00 -1.38 0.00 0.00 54.79 53.54 3iqf n ASP 171 Cb 0.83 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.89 3iqf n ASP 171 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3iqf n GLU 172 N 0.00 3.22 -1.97 -0.67 4.71 -1.26 -4.85 120.64 119.83 3iqf n GLU 172 Ca 0.00 -2.37 -0.43 0.00 -0.01 0.00 0.00 57.16 54.36 3iqf n GLU 172 Cb 0.00 -3.03 -0.03 0.00 -1.01 0.00 0.00 31.44 27.38 3iqf n GLU 172 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3iqf s ILE 173 N 2.74 3.44 0.37 -3.67 1.01 -1.26 -4.94 121.20 118.89 3iqf s ILE 173 Ca 0.58 0.44 0.07 0.00 0.00 0.00 0.00 60.65 61.75 3iqf s ILE 173 Cb 0.16 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 3iqf s ILE 173 CO -0.07 -0.39 0.46 -0.94 0.00 0.00 0.00 174.94 174.01 3iqf s SER 174 N 6.28 5.69 0.51 3.58 1.04 -1.26 -4.94 113.70 124.59 3iqf s SER 174 Ca 0.81 -0.36 0.22 0.00 0.48 0.00 0.00 55.95 57.10 3iqf s SER 174 Cb -0.23 -0.95 1.31 0.00 0.10 0.00 0.00 66.02 66.25 3iqf s SER 174 CO 0.34 -0.54 2.01 -0.33 0.98 0.00 0.00 173.24 175.70 3iqf h GLU 175 N 0.88 0.07 0.00 4.02 5.08 -1.93 -0.45 114.58 122.26 3iqf h GLU 175 Ca -0.43 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3iqf h GLU 175 Cb 1.26 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3iqf h GLU 175 CO 0.52 0.05 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.59 3iqf h ASN 176 N 0.08 0.00 1.41 1.42 2.35 -1.98 -2.91 115.58 115.95 3iqf h ASN 176 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3iqf h ASN 176 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3iqf h ASN 176 CO -0.02 0.08 -0.35 0.44 -1.65 0.00 0.00 177.43 175.93 3iqf h ASP 177 N 0.00 0.00 -3.66 5.81 3.45 -1.45 -3.47 116.42 117.11 3iqf h ASP 177 Ca -0.00 -0.05 -0.52 0.00 0.43 0.00 0.00 57.03 56.90 3iqf h ASP 177 Cb 0.43 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.23 3iqf h ASP 177 CO 0.01 0.02 0.55 -0.76 -1.57 0.00 0.00 179.24 177.49 3iqf s LEU 178 N -5.17 4.48 0.54 1.55 1.43 -1.10 -4.84 118.68 115.57 3iqf s LEU 178 Ca 0.06 2.34 -0.21 0.00 -1.03 0.00 0.00 54.13 55.29 3iqf s LEU 178 Cb 0.10 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 3iqf s LEU 178 CO 0.69 -0.33 1.29 -2.16 0.23 0.00 0.00 176.35 176.07 3iqf s PRO 179 N -0.92 3.23 -0.44 1.29 0.04 -1.26 -4.88 135.00 132.06 3iqf s PRO 179 Ca 0.50 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.65 3iqf s PRO 179 Cb -0.34 -2.23 0.18 0.00 0.04 0.00 0.00 34.50 32.15 3iqf s PRO 179 CO 0.41 -1.06 0.39 1.63 0.04 0.00 0.00 177.00 178.41 3iqf n LYS 180 N -1.02 0.48 -4.86 4.56 5.02 -1.22 -0.63 118.16 120.49 3iqf n LYS 180 Ca 0.10 -3.35 -0.32 0.00 -2.02 0.00 0.00 58.31 52.72 3iqf n LYS 180 Cb 0.46 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 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 -0.33 2.64 -0.18 -0.35 1.43 -0.14 -4.99 118.68 116.76 3iqf s LEU 181 Ca 0.33 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3iqf s LEU 181 Cb 0.05 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.76 3iqf s LEU 181 CO -0.18 0.32 -0.16 -0.69 0.23 0.00 0.00 176.35 175.86 3iqf s VAL 182 N -0.78 1.86 -0.15 -1.59 1.01 -1.26 -0.81 120.40 118.67 3iqf s VAL 182 Ca 0.12 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 3iqf s VAL 182 Cb -0.11 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3iqf s VAL 182 CO 0.02 0.42 -0.02 -0.63 0.00 0.00 0.00 175.10 174.89 3iqf s ILE 183 N 1.35 4.09 0.09 2.22 1.01 0.80 -4.93 121.20 125.83 3iqf s ILE 183 Ca 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 3iqf s ILE 183 Cb -0.14 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.54 3iqf s ILE 183 CO -0.11 0.50 0.15 -0.90 0.00 0.00 0.00 174.94 174.58 3iqf n ASP 184 N 3.41 -0.43 -0.33 3.58 5.68 -1.26 -1.09 116.55 126.10 3iqf n ASP 184 Ca -0.17 -1.43 0.03 0.00 -0.50 0.00 0.00 54.79 52.72 3iqf n ASP 184 Cb 0.52 0.76 0.11 0.00 -1.14 0.00 0.00 41.12 41.37 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 -0.21 114.38 114.83 3iqf h ARG 185 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3iqf h ARG 185 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3iqf h ARG 185 CO 0.10 -0.01 0.00 0.09 -1.51 0.00 0.00 179.97 178.64 3iqf n ASN 186 N -5.56 0.00 -0.07 -3.80 3.02 -1.26 -2.40 115.26 105.18 3iqf n ASN 186 Ca 0.13 0.45 0.06 0.00 -0.03 0.00 0.00 54.58 55.20 3iqf n ASN 186 Cb 0.45 -0.48 0.42 0.00 -0.61 0.00 0.00 39.78 39.56 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 1.04 0.00 3.41 2.02 -1.38 -2.16 112.91 115.83 3iqf h THR 187 Ca 0.00 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3iqf h THR 187 Cb 0.28 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3iqf h THR 187 CO 0.00 0.11 -0.09 -0.07 0.37 0.00 0.00 175.52 175.84 3iqf h LEU 188 N 0.58 0.00 -1.79 2.58 3.38 -1.63 -2.30 115.31 116.14 3iqf h LEU 188 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3iqf h LEU 188 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3iqf h LEU 188 CO -0.06 0.09 0.00 -0.07 0.09 0.00 0.00 178.44 178.49 3iqf h LEU 189 N 0.00 0.00 -2.18 1.67 3.38 -1.60 -2.45 115.31 114.12 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 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3iqf h LEU 189 CO 0.01 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 3iqf n GLU 190 N -3.06 2.45 -4.19 1.13 1.02 -0.86 -4.98 120.64 112.15 3iqf n GLU 190 Ca -0.00 -2.16 -0.27 0.00 -0.02 0.00 0.00 57.16 54.71 3iqf n GLU 190 Cb 0.25 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 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 -1.67 2.23 -0.33 3.49 0.52 -0.92 -5.05 118.95 117.21 3iqf s ARG 191 Ca 0.35 -2.00 0.10 0.00 -0.52 0.00 0.00 55.73 53.66 3iqf s ARG 191 Cb 0.22 -1.92 0.46 0.00 0.52 0.00 0.00 34.95 34.22 3iqf s ARG 191 CO 0.31 -0.30 1.13 0.39 0.02 0.00 0.00 175.30 176.86 3iqf n GLU 192 N -1.38 3.05 -0.10 3.54 1.02 -1.26 -4.87 120.64 120.63 3iqf n GLU 192 Ca -0.05 -4.07 -0.09 0.00 -0.02 0.00 0.00 57.16 52.93 3iqf n GLU 192 Cb 0.65 -2.07 -0.01 0.00 -0.02 0.00 0.00 31.44 29.98 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 2.43 0.45 -5.18 3.49 4.57 -1.97 -3.43 114.58 114.93 3iqf h GLU 193 Ca 0.23 -0.04 -0.64 0.00 -1.18 0.00 0.00 59.36 57.72 3iqf h GLU 193 Cb 1.30 -0.09 -0.23 0.00 -0.16 0.00 0.00 28.75 29.57 3iqf h GLU 193 CO 0.67 0.35 -0.67 -0.06 -1.18 0.00 0.00 179.01 178.12 3iqf s PHE 194 N -5.97 3.03 0.23 0.92 0.08 -1.26 -4.62 117.98 110.38 3iqf s PHE 194 Ca -0.13 -0.43 -0.03 0.00 0.12 0.00 0.00 56.93 56.46 3iqf s PHE 194 Cb 0.10 -2.03 0.22 0.00 -0.57 0.00 0.00 43.02 40.73 3iqf s PHE 194 CO 0.72 -0.18 1.65 1.49 -0.10 0.00 0.00 175.22 178.80 3iqf h GLU 195 N 7.22 0.74 -5.34 0.44 4.22 -1.84 -3.44 114.58 116.58 3iqf h GLU 195 Ca -0.34 -0.29 -0.60 0.00 0.08 0.00 0.00 59.36 58.21 3iqf h GLU 195 Cb 1.18 -0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.28 3iqf h GLU 195 CO 0.62 0.89 -0.38 1.21 -2.18 0.00 0.00 179.01 179.16 3iqf s ASN 196 N -6.75 6.32 0.47 1.04 2.47 -1.26 -4.98 114.94 112.24 3iqf s ASN 196 Ca -0.09 0.36 0.25 0.00 0.42 0.00 0.00 52.86 53.80 3iqf s ASN 196 Cb 0.13 -2.15 1.14 0.00 -1.45 0.00 0.00 41.25 38.92 3iqf s ASN 196 CO 0.83 0.08 1.93 1.55 -3.72 0.00 0.00 177.10 177.77 3iqf h PRO 197 N 6.96 0.00 -0.02 0.43 0.13 -2.00 -2.53 132.00 134.97 3iqf h PRO 197 Ca -0.40 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.55 3iqf h PRO 197 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3iqf h PRO 197 CO 0.73 0.20 -0.79 1.88 -0.23 0.00 0.00 178.00 179.79 3iqf h TYR 198 N 0.00 0.29 -0.75 1.56 0.05 -1.98 -2.02 116.97 114.12 3iqf h TYR 198 Ca -0.00 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.63 3iqf h TYR 198 Cb 0.56 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.23 3iqf h TYR 198 CO 0.00 0.91 0.46 0.00 -1.05 0.00 0.00 178.16 178.48 3iqf h ALA 199 N 1.05 0.96 -0.30 3.88 0.00 -1.76 0.61 119.26 123.70 3iqf h ALA 199 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3iqf h ALA 199 Cb 1.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3iqf h ALA 199 CO 0.12 0.42 0.13 1.98 0.00 0.00 0.00 179.25 181.91 3iqf h MET 200 N 1.03 0.43 -0.01 0.00 1.85 -1.31 0.14 114.93 117.07 3iqf h MET 200 Ca 0.27 -0.07 -0.16 0.00 -0.61 0.00 0.00 59.70 59.13 3iqf h MET 200 Cb -0.04 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 31.89 3iqf h MET 200 CO -0.05 0.43 -0.75 -0.39 -0.40 0.00 0.00 176.91 175.75 3iqf h VAL 201 N 0.34 1.49 -0.45 -5.77 -1.51 -1.14 0.81 116.25 110.02 3iqf h VAL 201 Ca 0.10 -2.44 0.00 0.00 -1.23 0.00 0.00 66.70 63.14 3iqf h VAL 201 Cb 0.14 2.32 -0.02 0.00 -2.13 0.00 0.00 31.29 31.60 3iqf h VAL 201 CO -0.01 0.70 0.29 0.11 -1.23 0.00 0.00 177.57 177.44 3iqf h LYS 202 N 0.06 0.60 -0.59 5.19 1.57 -0.79 -1.32 116.57 121.29 3iqf h LYS 202 Ca -0.02 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3iqf h LYS 202 Cb 1.31 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 3iqf h LYS 202 CO 0.11 0.42 0.24 0.00 -0.57 0.00 0.00 179.45 179.64 3iqf h ALA 203 N 1.15 1.32 -0.54 3.86 0.00 -0.51 -0.81 119.26 123.74 3iqf h ALA 203 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3iqf h ALA 203 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3iqf h ALA 203 CO -0.03 0.51 0.18 0.52 0.00 0.00 0.00 179.25 180.42 3iqf h MET 204 N 0.84 0.83 -0.81 0.00 2.86 -0.70 -2.01 114.93 115.94 3iqf h MET 204 Ca 0.20 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3iqf h MET 204 Cb 0.15 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 3iqf h MET 204 CO -0.02 0.75 0.48 0.00 1.06 0.00 0.00 176.91 179.18 3iqf h ALA 205 N 1.04 1.04 -0.55 6.32 0.00 -0.87 0.61 119.26 126.84 3iqf h ALA 205 Ca 0.17 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3iqf h ALA 205 Cb 0.26 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3iqf h ALA 205 CO -0.01 0.52 0.31 0.00 0.00 0.00 0.00 179.25 180.07 3iqf h ALA 206 N 1.25 0.71 -0.27 0.00 0.00 -0.90 -0.46 119.26 119.59 3iqf h ALA 206 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3iqf h ALA 206 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iqf h ALA 206 CO -0.05 0.01 -0.41 -0.07 0.00 0.00 0.00 179.25 178.73 3iqf h LEU 207 N 0.61 0.69 -0.22 0.00 3.38 -0.89 -0.36 115.31 118.52 3iqf h LEU 207 Ca 0.23 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3iqf h LEU 207 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3iqf h LEU 207 CO -0.12 1.01 0.08 -0.08 0.09 0.00 0.00 178.44 179.42 3iqf h GLU 208 N 0.53 0.33 -0.26 1.13 4.57 -0.70 -0.82 114.58 119.36 3iqf h GLU 208 Ca 0.04 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3iqf h GLU 208 Cb 0.93 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 3iqf h GLU 208 CO 0.08 0.40 0.11 0.82 -1.18 0.00 0.00 179.01 179.24 3iqf h ILE 209 N 0.20 1.16 -0.78 2.32 2.04 -0.94 -1.09 117.51 120.42 3iqf h ILE 209 Ca 0.07 -0.48 0.06 0.00 1.00 0.00 0.00 64.86 65.52 3iqf h ILE 209 Cb 0.19 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 3iqf h ILE 209 CO -0.01 0.16 0.46 0.00 0.00 0.00 0.00 178.15 178.77 3iqf h ALA 210 N 0.96 1.06 -0.62 1.87 0.00 -0.99 -0.01 119.26 121.54 3iqf h ALA 210 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 210 Cb 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3iqf h ALA 210 CO -0.01 0.16 0.32 1.49 0.00 0.00 0.00 179.25 181.21 3iqf h GLU 211 N 0.83 0.87 0.00 0.00 4.81 -0.88 -2.47 114.58 117.74 3iqf h GLU 211 Ca 0.35 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3iqf h GLU 211 Cb 0.20 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3iqf h GLU 211 CO -0.19 0.68 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.66 3iqf h ASN 212 N 0.84 0.00 -1.00 1.04 2.35 -0.38 -2.64 115.58 115.79 3iqf h ASN 212 Ca 0.21 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 56.14 3iqf h ASN 212 Cb 0.08 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.35 3iqf h ASN 212 CO -0.03 0.21 0.62 0.58 -1.65 0.00 0.00 177.43 177.15 3iqf h VAL 213 N 0.00 0.75 -0.80 2.81 2.07 -0.53 -2.69 116.25 117.86 3iqf h VAL 213 Ca -0.00 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3iqf h VAL 213 Cb 0.41 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 3iqf h VAL 213 CO 0.03 0.15 0.49 0.00 0.02 0.00 0.00 177.57 178.25 3iqf h ALA 214 N 1.62 1.10 -0.39 1.67 0.00 -1.55 -1.10 119.26 120.61 3iqf h ALA 214 Ca 0.56 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.39 3iqf h ALA 214 Cb 0.81 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3iqf h ALA 214 CO -0.35 0.21 -0.08 -0.44 0.00 0.00 0.00 179.25 178.59 3iqf h ASP 215 N 0.89 0.65 -0.12 0.00 3.45 -1.63 -0.12 116.42 119.54 3iqf h ASP 215 Ca 0.35 -0.17 -0.04 0.00 0.43 0.00 0.00 57.03 57.60 3iqf h ASP 215 Cb 0.17 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3iqf h ASP 215 CO -0.17 0.77 -0.09 0.58 -1.57 0.00 0.00 179.24 178.75 3iqf h VAL 216 N 0.62 1.34 -0.44 -1.35 2.07 -1.34 -0.96 116.25 116.18 3iqf h VAL 216 Ca 0.11 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.48 3iqf h VAL 216 Cb 0.50 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 3iqf h VAL 216 CO 0.03 0.35 0.19 0.28 0.02 0.00 0.00 177.57 178.43 3iqf h SER 217 N -0.10 0.24 -0.14 0.57 0.02 -1.09 0.17 113.55 113.23 3iqf h SER 217 Ca 0.02 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3iqf h SER 217 Cb 0.59 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 3iqf h SER 217 CO 0.02 0.18 0.08 0.58 -1.14 0.00 0.00 176.83 176.56 3iqf h VAL 218 N 0.38 1.06 -0.29 2.27 2.07 -0.96 0.19 116.25 120.98 3iqf h VAL 218 Ca 0.20 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.64 3iqf h VAL 218 Cb 0.15 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3iqf h VAL 218 CO -0.17 0.05 -0.01 -0.08 0.02 0.00 0.00 177.57 177.38 3iqf h GLU 219 N 0.16 0.07 -0.01 1.57 4.81 -0.85 0.03 114.58 120.36 3iqf h GLU 219 Ca 0.05 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 3iqf h GLU 219 Cb 0.01 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3iqf h GLU 219 CO -0.01 0.04 -0.45 0.78 -0.73 0.00 0.00 179.01 178.65 3iqf h GLY 220 N 0.07 0.01 0.73 1.92 0.00 -0.51 -0.43 103.07 104.85 3iqf h GLY 220 Ca 0.14 -0.01 -0.33 0.00 0.00 0.00 0.00 47.33 47.13 3iqf h GLY 220 CO -0.24 0.01 -1.90 0.00 0.00 0.00 0.00 176.54 174.41 3iqf n PHE 222 N -3.15 0.00 -0.02 0.00 3.72 -0.02 -4.90 117.46 113.09 3iqf n PHE 222 Ca -0.24 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.09 3iqf n PHE 222 Cb 1.06 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.58 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 -1.36 1.03 -2.16 -4.37 0.31 -0.91 -4.97 118.33 105.90 3iqf n VAL 223 Ca 0.00 0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 64.03 3iqf n VAL 223 Cb 0.00 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.12 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 -2.28 4.26 -0.01 5.55 2.56 -0.22 -4.91 118.70 123.66 3iqf s GLU 224 Ca -0.13 2.05 0.13 0.00 0.00 0.00 0.00 54.97 57.02 3iqf s GLU 224 Cb 0.03 -3.57 -0.17 0.00 2.00 0.00 0.00 34.13 32.42 3iqf s GLU 224 CO 0.17 -0.61 0.44 1.04 -0.56 0.00 0.00 175.26 175.75 3iqf n GLN 225 N 5.38 1.73 -3.02 4.30 1.13 -1.26 -4.75 117.38 120.90 3iqf n GLN 225 Ca 0.14 -0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.72 3iqf n GLN 225 Cb 0.43 -1.20 -0.06 0.00 0.11 0.00 0.00 30.24 29.52 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 -2.78 6.47 0.53 1.08 3.68 -1.26 -4.96 116.67 119.42 3iqf s ASP 226 Ca 0.01 0.17 0.22 0.00 2.13 0.00 0.00 52.55 55.08 3iqf s ASP 226 Cb 0.09 -2.36 1.35 0.00 -1.45 0.00 0.00 42.92 40.55 3iqf s ASP 226 CO 0.55 -0.71 2.04 0.07 0.13 0.00 0.00 175.17 177.24 3iqf h LYS 227 N 8.57 0.01 0.00 4.34 2.10 -1.97 0.22 116.57 129.84 3iqf h LYS 227 Ca -0.25 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3iqf h LYS 227 Cb 1.10 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3iqf h LYS 227 CO 0.89 0.01 -0.02 0.93 -2.00 0.00 0.00 179.45 179.26 3iqf h GLU 228 N 0.01 0.00 0.00 0.07 5.08 -2.01 -2.27 114.58 115.46 3iqf h GLU 228 Ca 0.19 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.10 3iqf h GLU 228 Cb 0.73 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 3iqf h GLU 228 CO -0.00 0.02 -2.43 0.54 -1.00 0.00 0.00 179.01 176.14 3iqf n ARG 229 N -3.48 0.59 0.18 2.33 1.74 0.51 -4.55 116.66 113.98 3iqf n ARG 229 Ca -0.03 0.29 0.05 0.00 -0.77 0.00 0.00 57.85 57.39 3iqf n ARG 229 Cb 0.11 -1.52 0.30 0.00 -1.02 0.00 0.00 32.46 30.34 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 -0.96 0.00 0.16 -1.55 -0.00 -0.75 -1.90 116.97 111.97 3iqf h TYR 230 Ca -0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.05 3iqf h TYR 230 Cb 1.60 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.33 3iqf h TYR 230 CO -0.07 0.41 -0.08 0.28 -0.00 0.00 0.00 178.16 178.70 3iqf h VAL 231 N 0.00 0.97 -0.83 -0.90 2.07 -1.65 -1.60 116.25 114.30 3iqf h VAL 231 Ca -0.00 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 66.92 3iqf h VAL 231 Cb 0.95 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.03 3iqf h VAL 231 CO 0.05 0.16 0.47 -0.65 0.02 0.00 0.00 177.57 177.62 3iqf h PRO 232 N -0.56 0.74 0.18 1.57 0.11 -1.78 -1.95 132.00 130.30 3iqf h PRO 232 Ca -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3iqf h PRO 232 Cb 0.43 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3iqf h PRO 232 CO 0.04 0.49 -0.11 0.82 -0.21 0.00 0.00 178.00 179.03 3iqf h ILE 233 N 0.76 0.77 -0.26 4.15 2.04 -1.18 -0.88 117.51 122.92 3iqf h ILE 233 Ca 0.41 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.24 3iqf h ILE 233 Cb 0.43 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3iqf h ILE 233 CO -0.27 0.00 0.00 -0.37 0.00 0.00 0.00 178.15 177.51 3iqf h VAL 234 N -0.27 1.16 -0.49 1.67 -1.51 -1.16 -2.11 116.25 113.53 3iqf h VAL 234 Ca -0.02 -0.61 -0.07 0.00 -1.23 0.00 0.00 66.70 64.77 3iqf h VAL 234 Cb 0.23 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.33 3iqf h VAL 234 CO 0.02 0.21 0.02 0.00 -1.23 0.00 0.00 177.57 176.59 3iqf h ALA 235 N 1.64 1.11 -0.12 5.19 0.00 -1.10 -2.68 119.26 123.30 3iqf h ALA 235 Ca 0.08 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3iqf h ALA 235 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3iqf h ALA 235 CO 0.01 0.57 -0.37 0.66 0.00 0.00 0.00 179.25 180.11 3iqf h SER 236 N 0.76 0.25 -0.79 0.00 4.64 -0.50 -1.26 113.55 116.65 3iqf h SER 236 Ca 0.15 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3iqf h SER 236 Cb 0.43 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 3iqf h SER 236 CO 0.02 0.61 0.41 0.00 -0.87 0.00 0.00 176.83 177.00 3iqf h ALA 237 N 1.41 1.21 -0.37 5.18 0.00 -1.12 -1.68 119.26 123.89 3iqf h ALA 237 Ca 0.02 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3iqf h ALA 237 Cb 0.76 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3iqf h ALA 237 CO 0.06 0.62 -0.39 0.45 0.00 0.00 0.00 179.25 179.99 3iqf h HIS 238 N 1.13 1.06 -1.00 0.00 3.86 -1.23 -2.03 115.15 116.94 3iqf h HIS 238 Ca 0.28 -0.32 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3iqf h HIS 238 Cb 0.07 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.26 3iqf h HIS 238 CO 0.01 1.13 0.66 0.93 0.86 0.00 0.00 177.93 181.51 3iqf h GLU 239 N 0.72 1.22 -0.44 2.45 4.39 -1.01 -1.67 114.58 120.24 3iqf h GLU 239 Ca 0.06 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3iqf h GLU 239 Cb 0.97 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3iqf h GLU 239 CO 0.09 0.81 0.22 0.52 -1.16 0.00 0.00 179.01 179.49 3iqf h MET 240 N 1.26 0.63 -0.80 2.33 2.86 -1.06 -2.51 114.93 117.64 3iqf h MET 240 Ca 0.40 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 3iqf h MET 240 Cb 0.02 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 3iqf h MET 240 CO -0.13 0.53 0.41 1.98 1.06 0.00 0.00 176.91 180.76 3iqf h MET 241 N 0.57 1.13 -0.95 1.72 1.85 -1.12 0.59 114.93 118.72 3iqf h MET 241 Ca 0.15 -0.15 0.06 0.00 -0.61 0.00 0.00 59.70 59.16 3iqf h MET 241 Cb 0.10 -0.21 -0.06 0.00 0.43 0.00 0.00 31.60 31.85 3iqf h MET 241 CO -0.02 0.85 0.60 -0.09 -0.40 0.00 0.00 176.91 177.85 3iqf h ARG 242 N 1.13 1.07 0.01 0.39 2.43 -1.12 -1.32 114.38 116.96 3iqf h ARG 242 Ca 0.28 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.19 3iqf h ARG 242 Cb 0.07 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 3iqf h ARG 242 CO -0.04 0.71 -0.88 0.87 -1.51 0.00 0.00 179.97 179.12 3iqf h LYS 243 N 1.10 0.10 -0.97 0.20 1.79 -0.87 -2.34 116.57 115.59 3iqf h LYS 243 Ca 0.41 -0.12 0.02 0.00 -2.18 0.00 0.00 60.65 58.78 3iqf h LYS 243 Cb 0.16 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.79 3iqf h LYS 243 CO -0.17 0.92 0.64 0.00 -1.08 0.00 0.00 179.45 179.75 3iqf h ALA 244 N 1.04 1.26 -0.58 3.86 0.00 -0.61 -1.35 119.26 122.88 3iqf h ALA 244 Ca -0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3iqf h ALA 244 Cb 1.53 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3iqf h ALA 244 CO 0.13 0.56 0.02 0.00 0.00 0.00 0.00 179.25 179.96 3iqf h ALA 245 N 1.38 0.94 -0.54 0.00 0.00 -1.10 -1.35 119.26 118.58 3iqf h ALA 245 Ca 0.37 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3iqf h ALA 245 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3iqf h ALA 245 CO -0.10 0.64 0.36 0.93 0.00 0.00 0.00 179.25 181.08 3iqf h GLU 246 N 0.92 0.72 -0.66 0.00 5.08 -1.05 -0.17 114.58 119.41 3iqf h GLU 246 Ca 0.17 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3iqf h GLU 246 Cb 0.50 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3iqf h GLU 246 CO 0.02 0.47 0.40 -0.07 -1.00 0.00 0.00 179.01 178.84 3iqf h LEU 247 N 0.74 0.65 -0.66 1.33 3.38 -0.97 0.12 115.31 119.90 3iqf h LEU 247 Ca 0.20 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3iqf h LEU 247 Cb -0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3iqf h LEU 247 CO -0.04 0.45 0.18 0.00 0.09 0.00 0.00 178.44 179.11 3iqf h ALA 248 N 1.29 0.87 -0.41 1.53 0.00 -0.95 -0.63 119.26 120.96 3iqf h ALA 248 Ca 0.27 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3iqf h ALA 248 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3iqf h ALA 248 CO -0.12 0.58 0.21 0.22 0.00 0.00 0.00 179.25 180.14 3iqf h ASP 249 N 0.98 0.32 -0.66 0.00 3.58 -0.65 -1.83 116.42 118.17 3iqf h ASP 249 Ca 0.21 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.69 3iqf h ASP 249 Cb 0.34 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 3iqf h ASP 249 CO -0.00 0.23 0.43 -0.08 -2.88 0.00 0.00 179.24 176.94 3iqf h GLU 250 N 0.43 0.84 -0.31 0.28 4.81 -0.30 -0.85 114.58 119.49 3iqf h GLU 250 Ca 0.17 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3iqf h GLU 250 Cb 0.07 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3iqf h GLU 250 CO -0.11 0.55 0.18 0.00 -0.73 0.00 0.00 179.01 178.90 3iqf h ALA 251 N 1.25 0.38 -0.59 2.92 0.00 -0.87 -1.49 119.26 120.87 3iqf h ALA 251 Ca 0.25 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 251 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3iqf h ALA 251 CO -0.07 -0.18 0.04 -0.09 0.00 0.00 0.00 179.25 178.95 3iqf h ARG 252 N 0.37 1.00 -0.50 0.00 2.43 -0.81 -2.46 114.38 114.40 3iqf h ARG 252 Ca 0.12 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3iqf h ARG 252 Cb -0.00 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3iqf h ARG 252 CO -0.05 0.96 0.18 0.93 -1.51 0.00 0.00 179.97 180.47 3iqf h GLU 253 N 0.92 0.74 -0.35 0.20 4.39 -0.92 -0.88 114.58 118.68 3iqf h GLU 253 Ca 0.18 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.78 3iqf h GLU 253 Cb 0.48 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 3iqf h GLU 253 CO 0.02 0.63 0.18 -0.07 -1.16 0.00 0.00 179.01 178.61 3iqf h LEU 254 N 0.72 0.27 -0.69 1.33 3.38 -0.84 -1.03 115.31 118.46 3iqf h LEU 254 Ca 0.17 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3iqf h LEU 254 Cb 0.18 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3iqf h LEU 254 CO -0.01 0.20 0.41 -0.33 0.09 0.00 0.00 178.44 178.80 3iqf h GLU 255 N 0.37 0.75 -0.90 1.13 4.39 -0.98 -2.06 114.58 117.28 3iqf h GLU 255 Ca 0.15 -0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.93 3iqf h GLU 255 Cb 0.05 -0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 28.44 3iqf h GLU 255 CO -0.10 0.50 0.52 0.87 -1.16 0.00 0.00 179.01 179.64 3iqf h LYS 256 N 0.77 0.78 0.00 2.33 1.57 -0.91 -1.18 116.57 119.93 3iqf h LYS 256 Ca 0.29 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3iqf h LYS 256 Cb 0.11 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3iqf h LYS 256 CO -0.15 0.52 -0.08 0.66 -0.57 0.00 0.00 179.45 179.82 3iqf h SER 257 N 0.80 0.00 -0.49 0.86 4.64 -0.46 -1.08 113.55 117.83 3iqf h SER 257 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3iqf h SER 257 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3iqf h SER 257 CO -0.30 0.08 0.00 0.59 -0.87 0.00 0.00 176.83 176.34 3iqf n ASN 258 N -3.37 3.34 -3.78 4.97 4.13 -0.91 -4.98 115.26 114.66 3iqf n ASN 258 Ca -0.01 -2.03 -0.24 0.00 1.68 0.00 0.00 54.58 53.98 3iqf n ASN 258 Cb 0.26 -0.33 0.02 0.00 -1.54 0.00 0.00 39.78 38.18 3iqf n ASN 258 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3iqf n ASP 259 N 0.91 -1.67 -1.09 6.41 2.03 -0.41 -4.90 116.55 117.83 3iqf n ASP 259 Ca 0.17 -0.92 0.03 0.00 0.52 0.00 0.00 54.79 54.59 3iqf n ASP 259 Cb 0.51 -3.60 0.03 0.00 -0.72 0.00 0.00 41.12 37.35 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 -4.28 2.33 -2.24 -1.67 0.00 -0.52 -4.10 120.51 110.04 3iqf n ALA 260 Ca -0.26 -2.01 -0.43 0.00 0.00 0.00 0.00 53.44 50.73 3iqf n ALA 260 Cb 0.67 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.31 3.91 0.10 0.00 1.01 -1.14 -4.61 120.40 119.36 3iqf s VAL 261 Ca 0.24 1.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.96 3iqf s VAL 261 Cb 0.27 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3iqf s VAL 261 CO -0.10 -0.27 1.57 -0.22 0.00 0.00 0.00 175.10 176.07 3iqf s LEU 262 N 4.48 4.36 -0.05 3.92 2.96 -1.26 -4.28 118.68 128.81 3iqf s LEU 262 Ca 0.65 2.48 0.03 0.00 -0.22 0.00 0.00 54.13 57.07 3iqf s LEU 262 Cb -0.23 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.88 3iqf s LEU 262 CO 0.25 -0.82 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.19 3iqf s ARG 263 N 1.87 1.63 -0.55 1.98 0.52 0.01 -5.01 118.95 119.41 3iqf s ARG 263 Ca 0.70 -0.48 0.07 0.00 -0.52 0.00 0.00 55.73 55.50 3iqf s ARG 263 Cb -0.40 -1.39 0.24 0.00 0.52 0.00 0.00 34.95 33.92 3iqf s ARG 263 CO 0.31 0.12 0.64 0.25 0.02 0.00 0.00 175.30 176.65 3iqf n THR 264 N 3.48 1.16 -1.76 0.02 -2.24 -1.26 -1.22 114.28 112.46 3iqf n THR 264 Ca -0.20 -4.73 -0.31 0.00 -2.27 0.00 0.00 64.05 56.54 3iqf n THR 264 Cb 0.53 -2.04 0.03 0.00 -2.10 0.00 0.00 70.33 66.74 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 -1.90 3.25 0.09 -0.78 0.04 -1.24 -4.61 135.00 129.85 3iqf s PRO 265 Ca 0.37 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 61.99 3iqf s PRO 265 Cb 0.14 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 3iqf s PRO 265 CO -0.06 -0.83 0.66 -1.01 0.04 0.00 0.00 177.00 175.80 3iqf s HIS 266 N -3.15 3.82 0.80 0.56 3.76 -1.26 -0.07 115.29 119.75 3iqf s HIS 266 Ca 0.57 1.41 -0.12 0.00 -0.15 0.00 0.00 55.06 56.77 3iqf s HIS 266 Cb -0.12 -2.63 0.07 0.00 1.11 0.00 0.00 32.58 31.01 3iqf s HIS 266 CO 0.54 0.50 1.11 0.00 -0.85 0.00 0.00 174.74 176.05 3iqf s ALA 267 N -0.91 2.33 0.56 -1.40 0.00 0.45 -4.91 121.76 117.89 3iqf s ALA 267 Ca 0.32 -0.33 0.28 0.00 0.00 0.00 0.00 51.96 52.24 3iqf s ALA 267 Cb -0.21 -3.06 1.72 0.00 0.00 0.00 0.00 23.12 21.57 3iqf s ALA 267 CO 0.22 -1.70 2.22 -1.35 0.00 0.00 0.00 175.76 175.14 3iqf h PRO 268 N -1.07 0.00 -0.14 0.00 0.11 -1.90 0.46 132.00 129.46 3iqf h PRO 268 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3iqf h PRO 268 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3iqf h PRO 268 CO 0.61 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3iqf n ASP 269 N -3.88 1.38 0.00 -2.05 5.75 -1.26 0.10 116.55 116.59 3iqf n ASP 269 Ca -0.03 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 3iqf n ASP 269 Cb 0.11 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3iqf n ASP 269 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iqf n GLY 270 N 1.07 1.38 3.75 6.12 0.00 0.15 -4.74 105.19 112.92 3iqf n GLY 270 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 2.56 -3.12 1.61 4.81 -1.26 -4.60 118.16 116.17 3iqf n LYS 271 Ca 0.00 0.90 -0.41 0.00 -0.87 0.00 0.00 58.31 57.93 3iqf n LYS 271 Cb 0.00 -2.61 -0.06 0.00 0.02 0.00 0.00 35.03 32.37 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 -0.84 4.95 0.70 3.15 1.01 -1.26 -0.41 120.40 127.70 3iqf s VAL 272 Ca 0.56 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 3iqf s VAL 272 Cb -0.50 -3.98 0.10 0.00 0.00 0.00 0.00 36.38 32.00 3iqf s VAL 272 CO 0.60 -0.10 0.97 -0.76 0.00 0.00 0.00 175.10 175.81 3iqf s LEU 273 N 2.58 3.01 -0.07 3.92 1.43 0.90 -4.98 118.68 125.47 3iqf s LEU 273 Ca 0.25 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 3iqf s LEU 273 Cb -0.15 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.81 3iqf s LEU 273 CO 0.11 -1.73 0.30 -0.55 0.23 0.00 0.00 176.35 174.71 3iqf s SER 274 N -4.66 -0.25 0.16 2.29 0.15 -1.26 -3.64 113.70 106.50 3iqf s SER 274 Ca 0.64 0.35 -0.22 0.00 0.70 0.00 0.00 55.95 57.42 3iqf s SER 274 Cb -0.07 0.48 0.06 0.00 -1.71 0.00 0.00 66.02 64.78 3iqf s SER 274 CO 0.44 -0.27 0.57 -1.59 1.20 0.00 0.00 173.24 173.59 3iqf s LYS 275 N -0.56 1.26 0.00 5.44 -2.85 -0.36 -1.56 119.74 121.12 3iqf s LYS 275 Ca -0.07 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 3iqf s LYS 275 Cb -0.04 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 3iqf s LYS 275 CO 0.02 -0.55 0.00 0.54 0.10 0.00 0.00 175.35 175.46 3iqf n ARG 276 N -0.36 0.00 -2.99 1.78 5.12 -1.26 -0.81 116.66 118.14 3iqf n ARG 276 Ca -0.16 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.36 3iqf n ARG 276 Cb 0.65 -0.95 -0.06 0.00 -1.16 0.00 0.00 32.46 30.94 3iqf n ARG 276 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3iqf s LYS 277 N -1.98 4.53 0.22 5.56 1.02 -1.26 -2.87 119.74 124.96 3iqf s LYS 277 Ca 0.00 1.11 -0.08 0.00 0.02 0.00 0.00 55.97 57.02 3iqf s LYS 277 Cb 0.00 -3.29 0.35 0.00 -0.52 0.00 0.00 37.83 34.37 3iqf s LYS 277 CO 0.00 0.49 1.71 0.35 -0.92 0.00 0.00 175.35 176.98 3iqf h PHE 278 N 4.71 0.27 -0.01 3.18 3.04 -1.91 -1.38 116.94 124.84 3iqf h PHE 278 Ca -0.46 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.52 3iqf h PHE 278 Cb 1.21 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.70 3iqf h PHE 278 CO 0.65 -0.02 -0.04 -1.33 -2.02 0.00 0.00 178.31 175.55 3iqf n MET 279 N -5.11 1.54 -2.49 1.11 2.81 -1.26 -4.89 117.12 108.83 3iqf n MET 279 Ca 0.11 -0.89 -0.42 0.00 -1.81 0.00 0.00 57.70 54.69 3iqf n MET 279 Cb 0.36 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 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 -2.07 4.50 0.29 0.03 2.12 -0.52 -5.01 118.70 118.04 3iqf s GLU 280 Ca 0.36 1.72 -0.29 0.00 0.36 0.00 0.00 54.97 57.11 3iqf s GLU 280 Cb 0.21 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 31.16 3iqf s GLU 280 CO 0.36 -0.11 1.45 -0.51 -0.54 0.00 0.00 175.26 175.91 3iqf s ASP 281 N 0.61 6.59 0.29 -1.70 1.01 -1.26 -4.85 116.67 117.35 3iqf s ASP 281 Ca 0.54 2.77 -0.29 0.00 0.71 0.00 0.00 52.55 56.28 3iqf s ASP 281 Cb -0.29 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 40.91 3iqf s ASP 281 CO 0.31 -0.73 1.18 -2.16 0.21 0.00 0.00 175.17 173.98 3iqf s PRO 282 N -0.92 4.54 0.00 8.23 0.04 -1.26 -4.81 135.00 140.82 3iqf s PRO 282 Ca 0.57 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3iqf s PRO 282 Cb -0.43 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 30.96 3iqf s PRO 282 CO 0.49 0.06 0.00 0.39 0.04 0.00 0.00 177.00 177.98