#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 3.51 0.18 1.08 1.01 -1.26 -4.68 120.40 120.23 3iqf s VAL 3 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3iqf s VAL 3 Cb 0.00 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 3iqf s VAL 3 CO 0.00 0.42 0.91 0.00 0.00 0.00 0.00 175.10 176.43 3iqf s ALA 4 N 1.43 3.33 -0.02 5.51 0.00 0.25 -4.90 121.76 127.36 3iqf s ALA 4 Ca 0.05 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.64 3iqf s ALA 4 Cb -0.14 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3iqf s ALA 4 CO -0.02 0.14 -0.25 0.15 0.00 0.00 0.00 175.76 175.78 3iqf s LYS 5 N -0.77 2.11 0.02 0.00 1.02 -1.26 -0.91 119.74 119.95 3iqf s LYS 5 Ca 0.42 -0.91 -0.11 0.00 0.02 0.00 0.00 55.97 55.38 3iqf s LYS 5 Cb -0.25 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 3iqf s LYS 5 CO 0.30 0.53 0.24 0.00 -0.92 0.00 0.00 175.35 175.50 3iqf s ALA 6 N -0.56 -0.53 -0.12 5.17 0.00 -1.01 0.60 121.76 125.31 3iqf s ALA 6 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 3iqf s ALA 6 Cb -0.10 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 3iqf s ALA 6 CO -0.01 -0.31 -0.09 0.42 0.00 0.00 0.00 175.76 175.77 3iqf s ILE 7 N -2.00 3.49 -0.15 0.00 1.01 -1.06 -1.81 121.20 120.68 3iqf s ILE 7 Ca -0.09 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 3iqf s ILE 7 Cb -0.03 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3iqf s ILE 7 CO -0.00 0.54 0.00 -0.36 0.00 0.00 0.00 174.94 175.12 3iqf s PHE 8 N -0.04 3.13 -0.17 3.97 0.40 0.29 -0.45 117.98 125.11 3iqf s PHE 8 Ca -0.01 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.22 3iqf s PHE 8 Cb -0.14 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 3iqf s PHE 8 CO 0.03 0.12 -0.11 0.42 0.70 0.00 0.00 175.22 176.39 3iqf s ILE 9 N 0.15 3.07 -0.22 0.64 1.01 0.19 -1.02 121.20 125.02 3iqf s ILE 9 Ca 0.01 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3iqf s ILE 9 Cb -0.13 -2.33 0.05 0.00 0.01 0.00 0.00 42.46 40.05 3iqf s ILE 9 CO 0.02 0.49 -0.13 -0.54 0.00 0.00 0.00 174.94 174.78 3iqf s LYS 10 N 0.84 2.38 -0.09 2.79 1.02 -0.24 -0.51 119.74 125.93 3iqf s LYS 10 Ca -0.03 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.87 3iqf s LYS 10 Cb -0.15 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 3iqf s LYS 10 CO 0.01 -0.44 -0.07 0.00 -0.92 0.00 0.00 175.35 173.92 3iqf n GLY 12 N 4.66 -2.21 2.84 0.00 0.00 0.12 -4.26 105.19 106.35 3iqf n GLY 12 Ca -0.15 -1.53 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.28 0.36 0.15 1.61 2.47 -1.26 -4.64 114.94 110.35 3iqf s ASN 13 Ca 0.00 -0.03 0.07 0.00 0.42 0.00 0.00 52.86 53.33 3iqf s ASN 13 Cb 0.00 -0.17 -0.04 0.00 -1.45 0.00 0.00 41.25 39.59 3iqf s ASN 13 CO 0.00 -0.07 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.38 3iqf s LEU 14 N 0.79 2.43 0.26 3.21 1.02 -1.26 -4.52 118.68 120.60 3iqf s LEU 14 Ca -0.08 -0.85 -0.02 0.00 0.02 0.00 0.00 54.13 53.20 3iqf s LEU 14 Cb -0.11 -0.71 0.47 0.00 0.02 0.00 0.00 46.19 45.86 3iqf s LEU 14 CO -0.01 -0.09 1.81 1.23 0.02 0.00 0.00 176.35 179.31 3iqf h GLY 15 N 3.33 1.41 1.15 -3.19 0.00 -1.94 -1.63 103.07 102.20 3iqf h GLY 15 Ca -0.41 -0.34 -0.18 0.00 0.00 0.00 0.00 47.33 46.40 3iqf h GLY 15 CO 0.51 0.11 -0.53 -0.84 0.00 0.00 0.00 176.54 175.79 3iqf h THR 16 N 0.82 1.27 -0.02 4.70 2.02 -1.96 -2.99 112.91 116.75 3iqf h THR 16 Ca 0.44 -1.71 -0.13 0.00 0.77 0.00 0.00 66.41 65.78 3iqf h THR 16 Cb 0.46 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3iqf h THR 16 CO -0.27 0.56 -0.60 0.77 0.37 0.00 0.00 175.52 176.35 3iqf h SER 17 N 0.69 0.06 -0.41 4.18 4.64 -1.87 -0.16 113.55 120.67 3iqf h SER 17 Ca 0.02 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 3iqf h SER 17 Cb 1.14 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3iqf h SER 17 CO 0.12 0.64 -0.02 -0.03 -0.87 0.00 0.00 176.83 176.67 3iqf h MET 18 N 0.04 0.82 0.00 4.77 -1.53 -1.24 -3.28 114.93 114.51 3iqf h MET 18 Ca -0.01 -0.24 0.00 0.00 -3.44 0.00 0.00 59.70 56.02 3iqf h MET 18 Cb 1.06 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 32.02 3iqf h MET 18 CO 0.08 0.84 -1.25 -1.33 0.14 0.00 0.00 176.91 175.39 3iqf n MET 19 N -4.20 0.56 -0.16 0.39 2.81 -1.11 -4.76 117.12 110.64 3iqf n MET 19 Ca 0.02 -0.06 -0.02 0.00 -1.81 0.00 0.00 57.70 55.83 3iqf n MET 19 Cb 0.32 -1.44 0.07 0.00 -0.71 0.00 0.00 33.22 31.45 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 0.18 -0.32 0.03 -0.00 -1.09 -0.57 114.93 113.16 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 0.61 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.16 3iqf h MET 20 CO 0.00 0.12 -0.19 0.38 -0.00 0.00 0.00 176.91 177.21 3iqf h ASP 21 N 0.18 0.58 1.06 -0.10 2.03 -1.86 -3.23 116.42 115.09 3iqf h ASP 21 Ca 0.26 -0.18 -0.10 0.00 -0.73 0.00 0.00 57.03 56.27 3iqf h ASP 21 Cb 0.37 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.69 3iqf h ASP 21 CO -0.37 0.78 -0.46 0.24 -1.03 0.00 0.00 179.24 178.40 3iqf h MET 22 N 0.52 0.00 0.00 4.15 2.86 -1.45 -2.36 114.93 118.65 3iqf h MET 22 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3iqf h MET 22 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3iqf h MET 22 CO 0.04 0.46 0.00 -0.07 1.06 0.00 0.00 176.91 178.41 3iqf h LEU 23 N 0.00 0.00 0.00 1.22 3.38 -1.40 -2.78 115.31 115.72 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 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3iqf h LEU 23 CO 0.06 0.00 -0.82 0.18 0.09 0.00 0.00 178.44 177.95 3iqf n LEU 24 N -2.54 0.66 -2.90 1.67 4.77 -0.89 -4.61 117.00 113.16 3iqf n LEU 24 Ca -0.01 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 3iqf n LEU 24 Cb 0.10 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3iqf n LEU 24 CO 0.16 0.12 0.09 -0.67 -1.33 0.00 0.00 177.39 175.75 3iqf n ASP 25 N -1.69 -1.50 0.30 -1.43 2.03 -1.05 -4.98 116.55 108.23 3iqf n ASP 25 Ca 0.04 -3.30 0.19 0.00 0.52 0.00 0.00 54.79 52.24 3iqf n ASP 25 Cb 0.38 1.01 0.94 0.00 -0.72 0.00 0.00 41.12 42.73 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 3.45 0.00 0.00 -0.67 9.09 -1.80 -1.32 114.58 123.33 3iqf h GLU 26 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 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 0.02 -0.00 0.54 0.05 0.00 0.00 179.01 179.92 3iqf n ARG 27 N -3.16 2.59 -2.32 1.06 1.74 -1.26 -4.99 116.66 110.31 3iqf n ARG 27 Ca -0.01 -1.65 -0.17 0.00 -0.77 0.00 0.00 57.85 55.24 3iqf n ARG 27 Cb 0.19 -1.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 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 -0.64 -0.64 0.20 7.54 0.00 -0.50 -4.86 120.51 121.60 3iqf n ALA 28 Ca 0.03 0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.68 3iqf n ALA 28 Cb 0.33 -1.89 0.09 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.83 2.30 -4.73 0.00 5.68 -1.26 -4.98 116.55 111.73 3iqf n ASP 29 Ca -0.20 -1.67 -0.42 0.00 -0.50 0.00 0.00 54.79 52.00 3iqf n ASP 29 Cb 0.65 -0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.51 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 4.39 0.00 0.11 0.52 -1.26 -4.44 118.95 117.33 3iqf s ARG 30 Ca 0.16 1.98 0.23 0.00 -0.52 0.00 0.00 55.73 57.58 3iqf s ARG 30 Cb 0.10 -3.25 0.01 0.00 0.52 0.00 0.00 34.95 32.33 3iqf s ARG 30 CO 0.14 -0.29 1.09 0.39 0.02 0.00 0.00 175.30 176.66 3iqf n GLU 31 N 3.30 0.94 -0.25 3.54 1.02 0.94 -4.40 120.64 125.73 3iqf n GLU 31 Ca 0.08 -0.77 0.08 0.00 -0.02 0.00 0.00 57.16 56.54 3iqf n GLU 31 Cb 0.44 -1.48 0.22 0.00 -0.02 0.00 0.00 31.44 30.59 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 -0.36 3.32 -4.04 1.62 3.85 -1.26 -4.80 116.55 114.88 3iqf n ASP 32 Ca 0.08 -1.98 -0.12 0.00 -0.71 0.00 0.00 54.79 52.07 3iqf n ASP 32 Cb 0.43 -0.32 -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 -1.03 0.42 -0.07 2.12 -7.23 -1.26 -0.59 120.40 112.77 3iqf s VAL 33 Ca 0.34 -1.08 -0.03 0.00 -1.81 0.00 0.00 61.98 59.40 3iqf s VAL 33 Cb 0.18 -0.57 0.04 0.00 0.56 0.00 0.00 36.38 36.59 3iqf s VAL 33 CO 0.23 -0.44 0.15 -0.70 -0.31 0.00 0.00 175.10 174.03 3iqf s GLU 34 N -1.67 0.09 0.11 4.82 2.12 -0.09 -4.89 118.70 119.19 3iqf s GLU 34 Ca -0.11 0.40 0.09 0.00 0.36 0.00 0.00 54.97 55.72 3iqf s GLU 34 Cb -0.09 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.08 3iqf s GLU 34 CO -0.00 -0.18 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.25 3iqf s PHE 35 N 1.28 1.99 0.04 5.30 2.99 -1.26 -2.42 117.98 125.90 3iqf s PHE 35 Ca -0.08 -0.40 0.08 0.00 0.00 0.00 0.00 56.93 56.53 3iqf s PHE 35 Cb -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 43.02 41.78 3iqf s PHE 35 CO -0.06 0.24 -0.24 1.03 -0.00 0.00 0.00 175.22 176.19 3iqf s ARG 36 N -1.89 1.91 -0.08 0.44 1.81 -0.75 -4.99 118.95 115.39 3iqf s ARG 36 Ca 0.09 -1.05 0.02 0.00 -1.72 0.00 0.00 55.73 53.07 3iqf s ARG 36 Cb -0.10 -2.05 0.01 0.00 -0.45 0.00 0.00 34.95 32.36 3iqf s ARG 36 CO 0.05 0.53 -0.14 0.08 -0.68 0.00 0.00 175.30 175.13 3iqf s VAL 37 N -0.82 1.33 0.08 3.52 1.01 -1.26 -0.54 120.40 123.71 3iqf s VAL 37 Ca 0.12 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3iqf s VAL 37 Cb -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3iqf s VAL 37 CO 0.03 0.40 -0.06 0.68 0.00 0.00 0.00 175.10 176.15 3iqf s VAL 38 N 0.75 0.58 -0.90 2.92 -7.23 -0.19 -4.97 120.40 111.35 3iqf s VAL 38 Ca -0.12 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 3iqf s VAL 38 Cb -0.16 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.35 3iqf s VAL 38 CO 0.03 -0.80 0.00 0.61 -0.31 0.00 0.00 175.10 174.63 3iqf n GLY 39 N 0.28 -1.39 0.58 2.32 0.00 -1.26 -1.08 105.19 104.65 3iqf n GLY 39 Ca -0.15 -1.03 0.05 0.00 0.00 0.00 0.00 46.02 44.90 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 0.17 2.20 -3.18 2.61 -2.24 -1.14 -4.95 114.28 107.74 3iqf n THR 40 Ca 0.00 -2.99 0.00 0.00 -2.27 0.00 0.00 64.05 58.79 3iqf n THR 40 Cb 0.00 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.16 0.00 0.16 3.42 2.88 -1.26 -2.77 113.62 114.89 3iqf n SER 41 Ca 0.20 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.87 3iqf n SER 41 Cb 0.73 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.69 3iqf n SER 41 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3iqf h VAL 42 N 0.00 0.00 -3.39 2.46 -1.51 -1.91 0.38 116.25 112.28 3iqf h VAL 42 Ca 0.00 -0.36 -0.54 0.00 -1.23 0.00 0.00 66.70 64.56 3iqf h VAL 42 Cb 0.00 1.20 -0.03 0.00 -2.13 0.00 0.00 31.29 30.34 3iqf h VAL 42 CO 0.00 0.00 0.35 -0.54 -1.23 0.00 0.00 177.57 176.15 3iqf s LYS 43 N -3.34 4.53 -0.01 5.19 1.02 -1.11 -3.37 119.74 122.64 3iqf s LYS 43 Ca 0.05 1.34 0.22 0.00 0.02 0.00 0.00 55.97 57.60 3iqf s LYS 43 Cb 0.10 -3.47 0.38 0.00 -0.52 0.00 0.00 37.83 34.32 3iqf s LYS 43 CO 0.47 -0.07 1.15 0.00 -0.92 0.00 0.00 175.35 175.99 3iqf n MET 44 N 4.01 0.09 -1.23 1.68 0.00 -1.26 -3.90 117.12 116.52 3iqf n MET 44 Ca 0.05 -1.97 -0.32 0.00 0.00 0.00 0.00 57.70 55.47 3iqf n MET 44 Cb 0.51 -0.15 0.10 0.00 0.00 0.00 0.00 33.22 33.68 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 -1.97 4.22 0.29 3.17 -4.77 -1.26 -3.77 116.67 112.57 3iqf s ASP 45 Ca 0.31 1.98 0.04 0.00 -3.30 0.00 0.00 52.55 51.58 3iqf s ASP 45 Cb 0.35 -2.54 0.69 0.00 -1.09 0.00 0.00 42.92 40.32 3iqf s ASP 45 CO -0.15 -2.23 1.75 -0.65 0.70 0.00 0.00 175.17 174.59 3iqf h PRO 46 N -1.03 0.59 -0.24 2.11 0.11 -1.86 -0.55 132.00 131.14 3iqf h PRO 46 Ca -0.44 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3iqf h PRO 46 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3iqf h PRO 46 CO 0.49 0.39 0.06 0.93 -0.21 0.00 0.00 178.00 179.66 3iqf h GLU 47 N 0.61 0.38 -0.51 1.05 3.07 -1.96 -0.14 114.58 117.09 3iqf h GLU 47 Ca 0.54 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 59.28 3iqf h GLU 47 Cb 0.90 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 3iqf h GLU 47 CO -0.42 0.49 0.21 0.00 -1.40 0.00 0.00 179.01 177.89 3iqf h VAL 49 N 0.68 1.24 -0.66 0.00 2.07 -0.98 0.06 116.25 118.66 3iqf h VAL 49 Ca 0.17 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3iqf h VAL 49 Cb 0.18 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3iqf h VAL 49 CO -0.02 0.31 0.35 -0.08 0.02 0.00 0.00 177.57 178.16 3iqf h GLU 50 N 0.86 0.93 -0.84 1.57 4.81 -0.89 0.15 114.58 121.18 3iqf h GLU 50 Ca 0.19 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3iqf h GLU 50 Cb 0.28 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3iqf h GLU 50 CO -0.01 0.71 0.50 0.00 -0.73 0.00 0.00 179.01 179.49 3iqf h ALA 51 N 1.17 1.07 0.08 2.92 0.00 -0.93 0.11 119.26 123.68 3iqf h ALA 51 Ca 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iqf h ALA 51 Cb 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3iqf h ALA 51 CO -0.04 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.71 3iqf h ALA 52 N 1.27 -0.10 -0.49 0.00 0.00 -0.27 -1.46 119.26 118.21 3iqf h ALA 52 Ca 0.30 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3iqf h ALA 52 Cb -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3iqf h ALA 52 CO -0.06 -0.52 0.07 0.28 0.00 0.00 0.00 179.25 179.02 3iqf h VAL 53 N -0.18 1.23 -0.54 0.00 2.07 -0.76 -2.12 116.25 115.95 3iqf h VAL 53 Ca -0.01 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3iqf h VAL 53 Cb 0.15 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3iqf h VAL 53 CO 0.02 0.31 0.29 -0.33 0.02 0.00 0.00 177.57 177.88 3iqf h GLU 54 N 0.73 0.75 -0.43 1.57 5.08 -0.87 0.07 114.58 121.47 3iqf h GLU 54 Ca 0.16 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 3iqf h GLU 54 Cb 0.35 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 3iqf h GLU 54 CO 0.01 0.58 0.05 0.52 -1.00 0.00 0.00 179.01 179.17 3iqf h MET 55 N 0.72 0.17 -0.12 2.33 2.86 -0.94 0.11 114.93 120.05 3iqf h MET 55 Ca 0.19 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3iqf h MET 55 Cb 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3iqf h MET 55 CO -0.03 0.11 0.04 0.00 1.06 0.00 0.00 176.91 178.09 3iqf h ALA 56 N 1.35 0.13 -0.20 6.32 0.00 -0.98 -0.94 119.26 124.95 3iqf h ALA 56 Ca 0.22 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 56 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3iqf h ALA 56 CO -0.31 -0.41 -0.48 -0.07 0.00 0.00 0.00 179.25 177.98 3iqf h LEU 57 N 0.10 0.56 0.09 0.00 3.38 -0.76 0.68 115.31 119.37 3iqf h LEU 57 Ca 0.05 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3iqf h LEU 57 Cb 0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3iqf h LEU 57 CO -0.06 0.95 -0.22 0.44 0.09 0.00 0.00 178.44 179.65 3iqf h ASP 58 N 0.41 -0.62 -0.99 -0.43 5.19 -0.65 -2.75 116.42 116.57 3iqf h ASP 58 Ca 0.02 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.52 3iqf h ASP 58 Cb 0.99 0.24 -0.05 0.00 0.18 0.00 0.00 39.33 40.69 3iqf h ASP 58 CO 0.09 -0.30 0.66 0.40 -3.12 0.00 0.00 179.24 176.96 3iqf h ILE 59 N -0.40 1.24 -0.68 0.35 2.04 -0.85 -2.95 117.51 116.25 3iqf h ILE 59 Ca 0.03 -0.45 0.12 0.00 1.00 0.00 0.00 64.86 65.56 3iqf h ILE 59 Cb 0.43 -0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 3iqf h ILE 59 CO -0.14 0.24 0.46 0.00 0.00 0.00 0.00 178.15 178.71 3iqf h ALA 60 N 1.39 2.02 -0.59 1.87 0.00 -0.61 0.88 119.26 124.22 3iqf h ALA 60 Ca 0.37 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.37 3iqf h ALA 60 Cb -0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 3iqf h ALA 60 CO -0.09 -0.18 0.19 0.93 0.00 0.00 0.00 179.25 180.10 3iqf h GLU 61 N 0.46 0.34 0.09 0.00 5.08 -1.31 0.11 114.58 119.34 3iqf h GLU 61 Ca 0.32 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.33 3iqf h GLU 61 Cb 0.64 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3iqf h GLU 61 CO -0.10 0.22 -1.82 -0.44 -1.00 0.00 0.00 179.01 175.87 3iqf h ASP 62 N 0.35 0.31 0.60 1.42 5.19 -1.62 -3.40 116.42 119.26 3iqf h ASP 62 Ca 0.30 -0.61 -0.21 0.00 -0.62 0.00 0.00 57.03 55.89 3iqf h ASP 62 Cb 0.39 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 3iqf h ASP 62 CO -0.33 1.54 -0.93 0.15 -3.12 0.00 0.00 179.24 176.55 3iqf h PHE 63 N 0.05 0.32 -5.61 4.55 3.57 -0.68 -3.48 116.94 115.66 3iqf h PHE 63 Ca -0.35 -0.19 -0.30 0.00 3.53 0.00 0.00 57.97 60.67 3iqf h PHE 63 Cb 2.03 -0.03 0.17 0.00 2.79 0.00 0.00 35.95 40.91 3iqf h PHE 63 CO 0.05 1.03 -0.85 0.39 -2.23 0.00 0.00 178.31 176.71 3iqf n GLU 64 N -3.63 -3.28 -1.91 1.11 1.02 0.35 -4.96 120.64 109.35 3iqf n GLU 64 Ca -0.04 0.81 -0.36 0.00 -0.02 0.00 0.00 57.16 57.55 3iqf n GLU 64 Cb 0.84 -5.63 0.04 0.00 -0.02 0.00 0.00 31.44 26.68 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 -4.86 2.83 0.18 3.49 0.04 -1.26 -4.86 135.00 130.56 3iqf s PRO 65 Ca 0.33 1.84 0.09 0.00 0.04 0.00 0.00 61.00 63.30 3iqf s PRO 65 Cb -0.05 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 3iqf s PRO 65 CO 0.75 -1.32 1.39 -0.44 0.04 0.00 0.00 177.00 177.42 3iqf h ASP 66 N 0.69 0.00 -5.23 6.66 3.32 -0.22 -3.48 116.42 118.18 3iqf h ASP 66 Ca -0.50 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 3iqf h ASP 66 Cb 1.30 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.76 3iqf h ASP 66 CO 0.54 0.83 -0.11 0.72 -1.72 0.00 0.00 179.24 179.49 3iqf s PHE 67 N -2.96 0.32 -0.03 4.55 -0.12 -1.18 -4.33 117.98 114.23 3iqf s PHE 67 Ca 0.01 -0.68 0.03 0.00 -0.05 0.00 0.00 56.93 56.24 3iqf s PHE 67 Cb 0.10 0.20 -0.00 0.00 -0.63 0.00 0.00 43.02 42.69 3iqf s PHE 67 CO 0.79 -0.97 -0.13 0.42 -0.05 0.00 0.00 175.22 175.28 3iqf s ILE 68 N -4.00 1.10 -0.15 -4.49 1.01 -0.32 -2.55 121.20 111.81 3iqf s ILE 68 Ca 0.21 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 3iqf s ILE 68 Cb -0.01 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 3iqf s ILE 68 CO 0.08 0.33 -0.10 -0.69 0.00 0.00 0.00 174.94 174.56 3iqf s VAL 69 N 0.08 3.33 -0.17 2.92 1.01 0.40 -1.35 120.40 126.62 3iqf s VAL 69 Ca -0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3iqf s VAL 69 Cb -0.10 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3iqf s VAL 69 CO 0.01 0.51 -0.02 -0.47 0.00 0.00 0.00 175.10 175.13 3iqf s TYR 70 N 0.45 3.05 -0.04 5.22 6.14 -0.29 0.57 117.35 132.44 3iqf s TYR 70 Ca -0.07 -0.30 0.02 0.00 0.64 0.00 0.00 57.07 57.36 3iqf s TYR 70 Cb -0.15 -2.00 0.01 0.00 0.42 0.00 0.00 41.96 40.24 3iqf s TYR 70 CO 0.04 -0.06 -0.09 0.20 0.64 0.00 0.00 175.55 176.27 3iqf s GLY 71 N 0.50 0.58 0.00 8.97 0.00 0.34 -0.06 107.32 117.66 3iqf s GLY 71 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.38 3iqf s GLY 71 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.75 3iqf n GLY 72 N 3.49 -0.29 3.74 0.20 0.00 -0.91 -2.62 105.19 108.80 3iqf n GLY 72 Ca -0.20 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 3iqf n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iqf n PRO 73 N -0.70 1.48 -3.37 1.61 -0.02 -1.26 -4.27 135.00 128.47 3iqf n PRO 73 Ca 0.00 0.56 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 3iqf n PRO 73 Cb 0.00 -2.57 0.03 0.00 -0.02 0.00 0.00 33.50 30.95 3iqf n PRO 73 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3iqf n ASN 74 N -1.35 -6.03 0.24 2.55 5.15 -1.26 -4.84 115.26 109.72 3iqf n ASN 74 Ca 0.12 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.26 3iqf n ASN 74 Cb 0.46 -2.42 0.68 0.00 -0.53 0.00 0.00 39.78 37.97 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 2.12 0.00 0.00 1.20 0.11 -1.86 -0.64 132.00 132.92 3iqf h PRO 75 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.22 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 177.69 3iqf n ALA 76 N -1.98 2.90 -1.55 -0.75 0.00 -1.26 -3.45 120.51 114.41 3iqf n ALA 76 Ca 0.02 -0.22 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 3iqf n ALA 76 Cb 0.58 -1.28 0.06 0.00 0.00 0.00 0.00 19.45 18.81 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 -3.05 2.63 0.21 0.00 0.00 -0.25 -4.77 121.76 116.53 3iqf s ALA 77 Ca 0.11 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 3iqf s ALA 77 Cb 0.16 -3.18 0.28 0.00 0.00 0.00 0.00 23.12 20.39 3iqf s ALA 77 CO 0.64 -1.29 1.78 -1.35 0.00 0.00 0.00 175.76 175.54 3iqf h PRO 78 N -0.77 0.54 0.76 0.00 0.11 -1.91 0.08 132.00 130.82 3iqf h PRO 78 Ca -0.44 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3iqf h PRO 78 Cb 1.22 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.21 3iqf h PRO 78 CO 0.57 0.36 -0.36 0.78 -0.21 0.00 0.00 178.00 179.13 3iqf h GLY 79 N 0.56 -1.06 0.71 -0.55 0.00 -1.84 -2.49 103.07 98.40 3iqf h GLY 79 Ca 0.31 0.39 0.15 0.00 0.00 0.00 0.00 47.33 48.19 3iqf h GLY 79 CO -0.25 -0.39 0.49 -2.55 0.00 0.00 0.00 176.54 173.85 3iqf h PRO 80 N -1.23 0.35 -0.59 4.80 0.11 -1.74 -1.57 132.00 132.14 3iqf h PRO 80 Ca -0.10 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 3iqf h PRO 80 Cb 0.79 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 3iqf h PRO 80 CO 0.17 0.23 0.20 0.77 -0.21 0.00 0.00 178.00 179.16 3iqf h SER 81 N 0.36 0.80 -0.33 -2.05 0.02 -0.86 -0.85 113.55 110.64 3iqf h SER 81 Ca 0.36 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3iqf h SER 81 Cb 0.88 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3iqf h SER 81 CO -0.10 0.75 0.04 0.50 -1.14 0.00 0.00 176.83 176.87 3iqf h LYS 82 N 0.85 0.56 -0.59 3.45 1.63 -0.83 -2.21 116.57 119.42 3iqf h LYS 82 Ca 0.20 -0.16 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 3iqf h LYS 82 Cb 0.23 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 3iqf h LYS 82 CO -0.01 0.66 0.36 0.00 -3.45 0.00 0.00 179.45 177.00 3iqf h ALA 83 N 0.88 0.77 -0.18 5.00 0.00 -0.99 -0.86 119.26 123.89 3iqf h ALA 83 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3iqf h ALA 83 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3iqf h ALA 83 CO 0.01 0.09 0.06 0.00 0.00 0.00 0.00 179.25 179.40 3iqf h ARG 84 N 0.70 0.14 -0.10 0.00 3.08 -0.97 0.28 114.38 117.50 3iqf h ARG 84 Ca 0.24 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 3iqf h ARG 84 Cb 0.04 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3iqf h ARG 84 CO -0.11 0.09 0.02 1.49 -1.07 0.00 0.00 179.97 180.39 3iqf h GLU 85 N 0.14 0.17 -0.58 0.04 4.57 -1.23 0.43 114.58 118.12 3iqf h GLU 85 Ca 0.08 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 3iqf h GLU 85 Cb 0.05 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3iqf h GLU 85 CO -0.08 0.36 0.33 0.52 -1.18 0.00 0.00 179.01 178.95 3iqf h MET 86 N -0.05 0.62 -0.44 1.92 2.86 -0.88 0.20 114.93 119.16 3iqf h MET 86 Ca 0.03 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3iqf h MET 86 Cb 0.27 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3iqf h MET 86 CO 0.00 0.41 0.01 -0.07 1.06 0.00 0.00 176.91 178.32 3iqf h LEU 87 N 0.64 0.75 -1.73 1.22 3.38 -0.32 -2.23 115.31 117.01 3iqf h LEU 87 Ca 0.24 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3iqf h LEU 87 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3iqf h LEU 87 CO -0.13 0.87 0.12 0.00 0.09 0.00 0.00 178.44 179.38 3iqf h ALA 88 N 0.91 1.80 0.00 1.53 0.00 0.39 -2.40 119.26 121.48 3iqf h ALA 88 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 88 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iqf h ALA 88 CO 0.02 0.18 -0.42 -0.25 0.00 0.00 0.00 179.25 178.78 3iqf n ASP 89 N -4.47 0.61 -4.63 0.00 8.00 0.01 -4.88 116.55 111.19 3iqf n ASP 89 Ca 0.00 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.39 3iqf n ASP 89 Cb 0.10 -0.07 0.15 0.00 -0.02 0.00 0.00 41.12 41.28 3iqf n ASP 89 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3iqf s SER 90 N -3.92 3.32 0.00 -2.24 1.04 -0.85 -4.95 113.70 106.09 3iqf s SER 90 Ca 0.09 0.83 0.30 0.00 0.48 0.00 0.00 55.95 57.64 3iqf s SER 90 Cb 0.15 -1.30 1.39 0.00 0.10 0.00 0.00 66.02 66.36 3iqf s SER 90 CO 0.67 -2.65 1.95 -1.84 0.98 0.00 0.00 173.24 172.35 3iqf n GLU 91 N -3.81 0.95 -3.57 4.02 0.28 -1.26 -4.85 120.64 112.40 3iqf n GLU 91 Ca 0.08 -0.30 -0.37 0.00 -0.16 0.00 0.00 57.16 56.42 3iqf n GLU 91 Cb 0.59 -1.49 -0.07 0.00 1.43 0.00 0.00 31.44 31.90 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 -2.26 3.51 0.34 -1.84 2.02 -1.26 -5.06 117.35 112.80 3iqf s TYR 92 Ca 0.36 0.64 -0.28 0.00 -0.37 0.00 0.00 57.07 57.41 3iqf s TYR 92 Cb 0.21 -2.29 -0.12 0.00 -0.40 0.00 0.00 41.96 39.35 3iqf s TYR 92 CO 0.42 0.34 1.35 -2.30 -1.57 0.00 0.00 175.55 173.78 3iqf n PRO 93 N 3.20 2.25 -3.98 -1.71 -0.02 -1.26 -4.84 135.00 128.64 3iqf n PRO 93 Ca -0.13 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 3iqf n PRO 93 Cb 0.52 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.02 0.17 -0.05 3.55 0.00 -1.26 -1.18 121.76 121.98 3iqf s ALA 94 Ca 0.56 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.05 3iqf s ALA 94 Cb -0.55 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3iqf s ALA 94 CO 0.62 -0.11 -0.21 0.08 0.00 0.00 0.00 175.76 176.13 3iqf s VAL 95 N -1.22 1.73 -0.27 0.00 1.01 -0.45 -1.14 120.40 120.06 3iqf s VAL 95 Ca -0.13 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 3iqf s VAL 95 Cb -0.08 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3iqf s VAL 95 CO -0.01 0.49 0.11 -0.63 0.00 0.00 0.00 175.10 175.06 3iqf s ILE 96 N -0.09 4.50 -0.20 2.22 -1.09 0.39 -1.14 121.20 125.80 3iqf s ILE 96 Ca -0.03 -0.23 -0.17 0.00 -2.23 0.00 0.00 60.65 57.99 3iqf s ILE 96 Cb -0.12 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 3iqf s ILE 96 CO 0.03 0.23 0.44 -0.63 -1.23 0.00 0.00 174.94 173.78 3iqf s ILE 97 N 1.63 5.17 0.00 2.92 -1.09 0.92 -0.92 121.20 129.82 3iqf s ILE 97 Ca 0.06 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 3iqf s ILE 97 Cb -0.16 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 3iqf s ILE 97 CO 0.05 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 3iqf n GLY 98 N 3.91 3.28 0.37 6.18 0.00 -0.50 -2.13 105.19 116.30 3iqf n GLY 98 Ca -0.07 -1.15 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.96 1.99 -0.25 1.61 3.85 -1.26 -0.93 116.55 120.60 3iqf n ASP 99 Ca 0.00 -1.23 0.00 0.00 -0.71 0.00 0.00 54.79 52.85 3iqf n ASP 99 Cb 0.00 0.05 0.13 0.00 -1.35 0.00 0.00 41.12 39.94 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 1.00 -0.40 2.12 0.00 -1.80 -1.49 119.26 119.72 3iqf h ALA 100 Ca -0.04 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3iqf h ALA 100 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3iqf h ALA 100 CO 0.07 0.06 0.45 -1.35 0.00 0.00 0.00 179.25 178.48 3iqf h PRO 101 N 0.72 0.00 0.00 0.00 0.11 -1.96 -1.02 132.00 129.84 3iqf h PRO 101 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3iqf h PRO 101 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3iqf h PRO 101 CO -0.21 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.36 3iqf h GLY 102 N 0.00 0.00 1.89 -0.55 0.00 -1.62 -2.96 103.07 99.82 3iqf h GLY 102 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 3iqf h GLY 102 CO -0.00 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.90 3iqf h LEU 103 N 0.00 0.13 -2.42 3.11 3.38 -1.34 -2.07 115.31 116.11 3iqf h LEU 103 Ca 0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3iqf h LEU 103 Cb 0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3iqf h LEU 103 CO 0.00 0.21 0.14 0.11 0.09 0.00 0.00 178.44 178.98 3iqf h LYS 104 N 0.15 0.00 0.00 1.13 1.57 -1.74 -2.50 116.57 115.18 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 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3iqf h LYS 104 CO 0.01 0.00 -0.13 1.33 -0.57 0.00 0.00 179.45 180.09 3iqf n VAL 105 N -3.51 1.96 -0.02 0.50 0.24 -0.79 -4.77 118.33 111.93 3iqf n VAL 105 Ca -0.01 -2.50 -0.11 0.00 -2.04 0.00 0.00 64.34 59.68 3iqf n VAL 105 Cb 0.23 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.31 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 0.25 0.19 -0.58 7.34 3.64 -1.31 0.11 116.57 126.21 3iqf h LYS 106 Ca -0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3iqf h LYS 106 Cb 1.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3iqf h LYS 106 CO 0.00 0.22 0.08 -0.44 -2.27 0.00 0.00 179.45 177.04 3iqf h ASP 107 N 0.11 0.91 -0.39 4.20 5.19 -1.86 -1.84 116.42 122.73 3iqf h ASP 107 Ca 0.05 -0.21 0.01 0.00 -0.62 0.00 0.00 57.03 56.26 3iqf h ASP 107 Cb 0.09 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 3iqf h ASP 107 CO -0.01 0.92 0.26 -0.08 -3.12 0.00 0.00 179.24 177.21 3iqf h GLU 108 N 0.89 0.51 -0.93 3.56 4.81 -1.82 -1.04 114.58 120.56 3iqf h GLU 108 Ca 0.18 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3iqf h GLU 108 Cb 0.41 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 3iqf h GLU 108 CO 0.01 0.33 0.61 0.52 -0.73 0.00 0.00 179.01 179.75 3iqf h MET 109 N 0.52 1.22 -0.79 1.92 2.86 -0.42 0.14 114.93 120.38 3iqf h MET 109 Ca 0.15 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3iqf h MET 109 Cb -0.05 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 31.30 3iqf h MET 109 CO -0.04 0.82 0.35 0.93 1.06 0.00 0.00 176.91 180.02 3iqf h GLU 110 N 1.26 1.17 -0.25 1.72 5.08 -1.04 -1.41 114.58 121.11 3iqf h GLU 110 Ca 0.34 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3iqf h GLU 110 Cb -0.13 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 3iqf h GLU 110 CO -0.07 0.93 -0.25 1.49 -1.00 0.00 0.00 179.01 180.11 3iqf h GLU 111 N 1.14 0.48 0.00 2.33 4.81 -0.56 -2.00 114.58 120.78 3iqf h GLU 111 Ca 0.27 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3iqf h GLU 111 Cb 0.17 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3iqf h GLU 111 CO -0.03 0.69 0.00 1.04 -0.73 0.00 0.00 179.01 179.99 3iqf n GLN 112 N -4.12 0.05 -1.64 1.92 6.02 0.45 -4.89 117.38 115.17 3iqf n GLN 112 Ca -0.00 0.16 -0.04 0.00 -0.01 0.00 0.00 57.00 57.11 3iqf n GLN 112 Cb 0.40 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.15 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 0.44 0.42 3.88 1.08 0.00 -0.75 -4.76 105.19 105.50 3iqf n GLY 113 Ca 0.05 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.01 4.32 0.68 0.99 1.43 -0.58 -4.76 118.68 119.75 3iqf s LEU 114 Ca 0.00 0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 3iqf s LEU 114 Cb 0.00 -3.05 0.01 0.00 0.03 0.00 0.00 46.19 43.18 3iqf s LEU 114 CO 0.00 0.14 1.07 -0.83 0.23 0.00 0.00 176.35 176.96 3iqf s GLY 115 N -2.04 1.63 0.01 -3.19 0.00 -0.29 -4.41 107.32 99.02 3iqf s GLY 115 Ca 0.35 -0.38 -0.19 0.00 0.00 0.00 0.00 44.72 44.50 3iqf s GLY 115 CO 0.21 -0.03 0.42 -2.52 0.00 0.00 0.00 173.10 171.18 3iqf s TYR 116 N -3.30 -0.29 -0.21 1.90 1.13 0.37 -0.46 117.35 116.49 3iqf s TYR 116 Ca 0.57 0.38 -0.02 0.00 -1.41 0.00 0.00 57.07 56.59 3iqf s TYR 116 Cb -0.11 0.20 0.06 0.00 -1.10 0.00 0.00 41.96 41.02 3iqf s TYR 116 CO 0.51 -0.51 0.01 0.42 -2.51 0.00 0.00 175.55 173.46 3iqf s ILE 117 N -1.88 0.87 -0.26 -3.49 1.01 -0.10 -0.77 121.20 116.57 3iqf s ILE 117 Ca -0.09 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 3iqf s ILE 117 Cb -0.02 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 3iqf s ILE 117 CO 0.02 -0.19 0.08 -0.76 0.00 0.00 0.00 174.94 174.09 3iqf s LEU 118 N 1.69 3.58 -0.48 2.97 1.43 0.27 -1.42 118.68 126.73 3iqf s LEU 118 Ca -0.02 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 3iqf s LEU 118 Cb -0.18 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 44.23 3iqf s LEU 118 CO -0.08 -0.07 0.33 -0.69 0.23 0.00 0.00 176.35 176.07 3iqf s VAL 119 N 1.61 4.03 0.22 -1.59 1.01 -0.10 -0.10 120.40 125.48 3iqf s VAL 119 Ca 0.06 -1.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.04 3iqf s VAL 119 Cb -0.16 -3.67 0.15 0.00 0.00 0.00 0.00 36.38 32.70 3iqf s VAL 119 CO 0.04 -0.77 1.77 0.11 0.00 0.00 0.00 175.10 176.25 3iqf h LYS 120 N 8.27 1.12 0.00 2.72 1.57 -1.44 -2.05 116.57 126.76 3iqf h LYS 120 Ca -0.17 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 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 0.82 0.94 0.00 -2.30 -0.57 0.00 0.00 179.45 178.34 3iqf n PRO 121 N -4.26 0.18 -1.84 3.15 -0.02 -1.26 -4.35 135.00 126.59 3iqf n PRO 121 Ca 0.06 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 3iqf n PRO 121 Cb 0.21 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 -1.30 3.99 -4.80 2.55 -0.08 -0.77 -4.37 116.55 111.78 3iqf n ASP 122 Ca 0.06 -2.85 -0.37 0.00 -1.51 0.00 0.00 54.79 50.12 3iqf n ASP 122 Cb 0.11 -1.66 -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 3.42 3.39 0.38 -1.67 0.00 -1.26 -4.76 121.76 121.26 3iqf s ALA 123 Ca 0.48 0.27 -0.28 0.00 0.00 0.00 0.00 51.96 52.44 3iqf s ALA 123 Cb 0.13 -2.91 -0.11 0.00 0.00 0.00 0.00 23.12 20.23 3iqf s ALA 123 CO -0.06 0.29 1.46 1.41 0.00 0.00 0.00 175.76 178.86 3iqf s MET 124 N -1.76 4.11 0.83 0.00 1.75 -1.26 -4.91 119.30 118.05 3iqf s MET 124 Ca 0.42 2.52 -0.06 0.00 -1.25 0.00 0.00 55.69 57.31 3iqf s MET 124 Cb -0.19 -2.96 0.18 0.00 2.84 0.00 0.00 34.83 34.70 3iqf s MET 124 CO 0.23 -0.51 1.13 1.47 -0.65 0.00 0.00 175.02 176.69 3iqf n LEU 125 N 0.45 0.00 -4.10 4.11 -0.00 -1.26 -4.47 117.00 111.72 3iqf n LEU 125 Ca 0.01 -1.90 -0.43 0.00 -0.00 0.00 0.00 56.01 53.69 3iqf n LEU 125 Cb 0.40 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 3iqf n LEU 125 CO 0.63 -1.16 1.86 0.61 -0.00 0.00 0.00 177.39 179.33 3iqf n GLY 126 N -3.15 4.09 2.78 1.47 0.00 -1.26 -4.85 105.19 104.27 3iqf n GLY 126 Ca 0.17 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 5.08 5.54 -2.74 4.61 0.00 -1.26 -4.29 120.51 127.45 3iqf n ALA 127 Ca 0.41 -4.08 -0.30 0.00 0.00 0.00 0.00 53.44 49.47 3iqf n ALA 127 Cb 0.39 -3.26 -0.16 0.00 0.00 0.00 0.00 19.45 16.42 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 1.76 2.30 0.48 0.00 1.81 -1.26 -4.94 118.95 119.10 3iqf s ARG 128 Ca 0.44 -0.83 0.21 0.00 -1.72 0.00 0.00 55.73 53.83 3iqf s ARG 128 Cb 0.12 -1.98 1.24 0.00 -0.45 0.00 0.00 34.95 33.88 3iqf s ARG 128 CO -0.04 0.36 1.96 -0.09 -0.68 0.00 0.00 175.30 176.80 3iqf h ARG 129 N 6.06 0.19 0.00 3.54 2.43 -1.90 0.24 114.38 124.94 3iqf h ARG 129 Ca -0.33 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3iqf h ARG 129 Cb 1.17 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3iqf h ARG 129 CO 0.47 0.12 -0.00 0.93 -1.51 0.00 0.00 179.97 179.98 3iqf h GLU 130 N 0.19 0.00 0.00 0.20 3.07 -1.96 -3.35 114.58 112.73 3iqf h GLU 130 Ca 0.31 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.08 3iqf h GLU 130 Cb 0.97 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 3iqf h GLU 130 CO -0.06 0.00 -1.31 0.34 -1.40 0.00 0.00 179.01 176.59 3iqf n PHE 131 N -3.09 0.00 -2.91 4.33 7.35 -0.36 -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 0.32 -0.20 -0.04 0.00 0.35 0.00 0.00 39.48 39.91 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 -6.26 4.63 0.00 -2.13 2.96 0.71 -4.86 118.68 113.73 3iqf s LEU 132 Ca -0.08 -1.15 0.09 0.00 -0.22 0.00 0.00 54.13 52.77 3iqf s LEU 132 Cb 0.03 -2.39 0.09 0.00 0.50 0.00 0.00 46.19 44.41 3iqf s LEU 132 CO 0.10 -1.35 0.71 -0.90 -1.32 0.00 0.00 176.35 173.59 3iqf n ASP 133 N 7.36 1.99 -0.24 3.68 5.75 -1.26 -4.68 116.55 129.16 3iqf n ASP 133 Ca -0.03 -2.44 -0.01 0.00 -0.01 0.00 0.00 54.79 52.29 3iqf n ASP 133 Cb 0.45 -0.37 0.10 0.00 -1.03 0.00 0.00 41.12 40.27 3iqf n ASP 133 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3iqf h PRO 134 N 0.00 0.70 -0.38 0.11 0.11 -1.99 -0.97 132.00 129.58 3iqf h PRO 134 Ca -0.25 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 3iqf h PRO 134 Cb 1.15 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3iqf h PRO 134 CO 0.37 0.47 0.23 0.28 -0.21 0.00 0.00 178.00 179.13 3iqf h VAL 135 N 0.72 1.12 -0.72 3.15 2.07 -1.98 -0.58 116.25 120.03 3iqf h VAL 135 Ca 0.30 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3iqf h VAL 135 Cb 0.17 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3iqf h VAL 135 CO -0.18 0.13 0.30 -0.08 0.02 0.00 0.00 177.57 177.76 3iqf h GLU 136 N 0.50 1.07 -0.61 1.57 4.57 -1.84 0.90 114.58 120.74 3iqf h GLU 136 Ca 0.14 -0.19 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 3iqf h GLU 136 Cb 0.00 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.37 3iqf h GLU 136 CO -0.03 0.87 0.34 1.98 -1.18 0.00 0.00 179.01 180.99 3iqf h MET 137 N 1.03 0.62 -0.30 1.92 4.05 -0.81 0.16 114.93 121.59 3iqf h MET 137 Ca 0.24 -0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 59.46 3iqf h MET 137 Cb 0.20 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3iqf h MET 137 CO -0.02 0.41 -0.45 0.00 0.23 0.00 0.00 176.91 177.08 3iqf h ALA 138 N 1.32 0.64 -0.21 0.39 0.00 -0.56 -1.97 119.26 118.87 3iqf h ALA 138 Ca 0.27 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3iqf h ALA 138 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3iqf h ALA 138 CO -0.17 0.67 0.12 0.82 0.00 0.00 0.00 179.25 180.70 3iqf h ILE 139 N 0.63 1.10 -0.44 0.00 2.04 -0.59 0.13 117.51 120.38 3iqf h ILE 139 Ca 0.04 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.68 3iqf h ILE 139 Cb 1.01 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 3iqf h ILE 139 CO 0.10 0.10 0.21 0.22 0.00 0.00 0.00 178.15 178.77 3iqf h TYR 140 N 0.24 0.38 -0.61 1.37 3.20 -0.92 -1.75 116.97 118.88 3iqf h TYR 140 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3iqf h TYR 140 Cb 0.05 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3iqf h TYR 140 CO -0.04 0.18 0.36 -0.91 -1.64 0.00 0.00 178.16 176.11 3iqf h ASN 141 N 0.42 0.73 -0.08 -2.11 2.35 -1.03 -0.21 115.58 115.64 3iqf h ASN 141 Ca 0.19 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3iqf h ASN 141 Cb 0.12 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3iqf h ASN 141 CO -0.15 0.57 0.04 0.00 -1.65 0.00 0.00 177.43 176.25 3iqf h ALA 142 N 1.55 0.10 -0.48 -0.83 0.00 -0.36 0.54 119.26 119.77 3iqf h ALA 142 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iqf h ALA 142 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3iqf h ALA 142 CO -0.04 -0.38 0.30 -0.44 0.00 0.00 0.00 179.25 178.69 3iqf h ASP 143 N 0.06 0.56 -0.55 0.00 3.32 -0.97 -1.86 116.42 116.97 3iqf h ASP 143 Ca 0.03 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3iqf h ASP 143 Cb 0.04 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3iqf h ASP 143 CO -0.00 0.43 0.21 0.25 -1.72 0.00 0.00 179.24 178.41 3iqf h LEU 144 N 0.64 0.77 -0.87 1.55 5.85 -0.94 -1.00 115.31 121.31 3iqf h LEU 144 Ca 0.17 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3iqf h LEU 144 Cb -0.04 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3iqf h LEU 144 CO -0.04 0.73 0.50 -0.03 -0.34 0.00 0.00 178.44 179.27 3iqf h MET 145 N 0.75 1.19 -0.36 1.25 4.05 -0.76 0.44 114.93 121.50 3iqf h MET 145 Ca 0.18 -0.12 0.02 0.00 -0.28 0.00 0.00 59.70 59.49 3iqf h MET 145 Cb 0.21 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 3iqf h MET 145 CO -0.01 0.86 0.21 -0.22 0.23 0.00 0.00 176.91 177.97 3iqf h LYS 146 N 1.20 0.41 0.16 0.39 1.63 -1.01 -0.10 116.57 119.25 3iqf h LYS 146 Ca 0.31 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 3iqf h LYS 146 Cb -0.01 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 3iqf h LYS 146 CO -0.05 0.27 -0.16 0.28 -3.45 0.00 0.00 179.45 176.34 3iqf h VAL 147 N 0.43 0.64 0.00 2.00 2.07 -0.66 0.50 116.25 121.23 3iqf h VAL 147 Ca 0.14 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.59 3iqf h VAL 147 Cb 0.01 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3iqf h VAL 147 CO -0.07 0.00 -0.34 -0.07 0.02 0.00 0.00 177.57 177.11 3iqf h LEU 148 N -0.35 0.00 0.06 2.57 3.38 -0.75 -2.02 115.31 118.20 3iqf h LEU 148 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqf h LEU 148 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iqf h LEU 148 CO -0.04 0.34 -0.03 0.00 0.09 0.00 0.00 178.44 178.80 3iqf h ALA 149 N 1.66 -0.09 0.00 1.53 0.00 -0.89 -0.53 119.26 120.94 3iqf h ALA 149 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iqf h ALA 149 Cb 0.65 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3iqf h ALA 149 CO 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.20 3iqf h ALA 150 N -0.75 1.00 0.00 0.00 0.00 -0.91 -2.29 119.26 116.31 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 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3iqf h ALA 150 CO 0.01 0.00 -0.26 0.25 0.00 0.00 0.00 179.25 179.25 3iqf n THR 151 N -2.61 0.37 -0.21 0.00 -2.24 -0.76 -4.74 114.28 104.08 3iqf n THR 151 Ca 0.03 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3iqf n THR 151 Cb 0.35 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 1.36 0.62 0.27 3.38 0.00 -0.86 -4.97 105.19 104.99 3iqf n GLY 152 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 1.05 0.00 1.61 2.07 -1.59 -2.02 116.25 117.37 3iqf h VAL 153 Ca 0.00 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3iqf h VAL 153 Cb 0.00 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3iqf h VAL 153 CO 0.00 0.15 -0.17 -0.26 0.02 0.00 0.00 177.57 177.31 3iqf h PHE 154 N 0.80 0.00 -0.12 1.57 0.05 -1.38 -1.65 116.94 116.21 3iqf h PHE 154 Ca 0.29 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.95 3iqf h PHE 154 Cb 0.08 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.02 3iqf h PHE 154 CO -0.05 0.17 -0.50 -0.09 -0.18 0.00 0.00 178.31 177.66 3iqf h ARG 155 N 0.00 0.32 -0.61 1.51 2.43 -1.65 -0.04 114.38 116.33 3iqf h ARG 155 Ca -0.00 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 3iqf h ARG 155 Cb 0.34 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3iqf h ARG 155 CO 0.02 0.75 0.26 0.28 -1.51 0.00 0.00 179.97 179.77 3iqf h VAL 156 N 0.25 1.23 -0.17 0.20 2.07 -1.03 -0.82 116.25 117.98 3iqf h VAL 156 Ca 0.01 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3iqf h VAL 156 Cb 0.97 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3iqf h VAL 156 CO 0.08 0.27 -0.04 0.58 0.02 0.00 0.00 177.57 178.48 3iqf h VAL 157 N 0.85 1.29 -0.32 2.57 2.07 -1.24 -2.22 116.25 119.25 3iqf h VAL 157 Ca 0.21 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.79 3iqf h VAL 157 Cb 0.18 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 3iqf h VAL 157 CO -0.02 0.30 -0.14 -0.61 0.02 0.00 0.00 177.57 177.12 3iqf h GLN 158 N 0.05 -0.08 -1.00 1.57 4.15 -0.86 -2.09 115.11 116.84 3iqf h GLN 158 Ca 0.04 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.48 3iqf h GLN 158 Cb 0.48 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.14 3iqf h GLN 158 CO 0.02 -0.06 0.65 0.93 -1.93 0.00 0.00 178.83 178.44 3iqf h GLU 159 N -0.09 1.32 -0.50 1.69 5.08 -1.08 0.31 114.58 121.31 3iqf h GLU 159 Ca 0.16 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3iqf h GLU 159 Cb 0.33 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3iqf h GLU 159 CO -0.38 0.88 0.22 0.00 -1.00 0.00 0.00 179.01 178.73 3iqf h ALA 160 N 1.36 0.65 -0.13 3.43 0.00 -0.88 -1.53 119.26 122.16 3iqf h ALA 160 Ca 0.36 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 3iqf h ALA 160 Cb -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3iqf h ALA 160 CO -0.08 0.24 -0.71 0.74 0.00 0.00 0.00 179.25 179.44 3iqf h PHE 161 N 0.67 0.77 -0.70 0.00 -1.00 -1.19 -2.26 116.94 113.23 3iqf h PHE 161 Ca 0.17 -0.33 -0.04 0.00 2.81 0.00 0.00 57.97 60.58 3iqf h PHE 161 Cb 0.17 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.57 3iqf h PHE 161 CO 0.00 1.11 0.28 -0.44 -1.61 0.00 0.00 178.31 177.65 3iqf h ASP 162 N 0.40 0.94 -0.60 2.17 3.45 -0.81 0.22 116.42 122.18 3iqf h ASP 162 Ca -0.03 -0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.26 3iqf h ASP 162 Cb 1.30 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 39.80 3iqf h ASP 162 CO 0.13 0.84 0.24 -0.33 -1.57 0.00 0.00 179.24 178.55 3iqf h GLU 163 N 1.01 0.90 -0.69 3.56 5.08 -1.20 -1.80 114.58 121.45 3iqf h GLU 163 Ca 0.24 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3iqf h GLU 163 Cb 0.19 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3iqf h GLU 163 CO -0.02 0.77 0.12 1.25 -1.00 0.00 0.00 179.01 180.13 3iqf h LEU 164 N 0.84 1.08 -0.63 1.33 5.85 -0.84 -2.53 115.31 120.41 3iqf h LEU 164 Ca 0.20 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3iqf h LEU 164 Cb 0.20 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3iqf h LEU 164 CO -0.02 1.06 0.36 0.40 -0.34 0.00 0.00 178.44 179.91 3iqf h ILE 165 N 1.06 1.19 -0.83 4.05 2.04 -0.43 0.02 117.51 124.61 3iqf h ILE 165 Ca 0.21 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.63 3iqf h ILE 165 Cb 0.43 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 3iqf h ILE 165 CO 0.01 0.21 0.54 -0.33 0.00 0.00 0.00 178.15 178.58 3iqf h GLU 166 N 0.86 1.05 -0.66 2.37 4.39 -1.19 -1.53 114.58 119.87 3iqf h GLU 166 Ca 0.22 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 3iqf h GLU 166 Cb 0.01 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.39 3iqf h GLU 166 CO -0.04 0.70 0.29 0.87 -1.16 0.00 0.00 179.01 179.66 3iqf h LYS 167 N 1.08 0.96 -0.70 2.33 1.79 -1.05 -2.45 116.57 118.54 3iqf h LYS 167 Ca 0.32 -0.16 0.08 0.00 -2.18 0.00 0.00 60.65 58.71 3iqf h LYS 167 Cb -0.07 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.38 3iqf h LYS 167 CO -0.09 0.79 0.46 0.00 -1.08 0.00 0.00 179.45 179.53 3iqf h ALA 168 N 1.13 1.82 0.00 3.86 0.00 -0.31 0.29 119.26 126.05 3iqf h ALA 168 Ca 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3iqf h ALA 168 Cb 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3iqf h ALA 168 CO -0.02 0.05 -0.13 0.87 0.00 0.00 0.00 179.25 180.02 3iqf h LYS 169 N 0.63 0.00 -0.24 0.00 1.57 -0.81 -1.99 116.57 115.73 3iqf h LYS 169 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3iqf h LYS 169 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3iqf h LYS 169 CO -0.10 0.13 0.00 0.39 -0.57 0.00 0.00 179.45 179.30 3iqf n GLU 170 N -3.26 2.76 0.00 3.15 -0.58 -0.84 -4.97 120.64 116.90 3iqf n GLU 170 Ca 0.01 -2.37 0.00 0.00 -0.42 0.00 0.00 57.16 54.38 3iqf n GLU 170 Cb 0.40 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 3iqf n GLU 170 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3iqf n ASP 171 N -0.19 0.00 -2.62 1.62 4.64 0.96 -4.82 116.55 116.15 3iqf n ASP 171 Ca 0.15 0.00 -0.22 0.00 -1.38 0.00 0.00 54.79 53.33 3iqf n ASP 171 Cb 0.62 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.60 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 2.55 -1.52 -0.67 4.71 -1.26 -4.74 120.64 119.71 3iqf n GLU 172 Ca 0.00 -1.44 -0.49 0.00 -0.01 0.00 0.00 57.16 55.22 3iqf n GLU 172 Cb 0.00 -2.31 -0.06 0.00 -1.01 0.00 0.00 31.44 28.06 3iqf n GLU 172 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3iqf n ILE 173 N 3.08 0.28 -3.38 -3.67 5.41 -1.26 -4.93 119.36 114.89 3iqf n ILE 173 Ca 0.54 -0.27 -0.19 0.00 1.00 0.00 0.00 62.75 63.84 3iqf n ILE 173 Cb 0.55 -1.83 -0.01 0.00 -0.71 0.00 0.00 39.64 37.64 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 6.86 5.40 0.39 4.38 1.04 -1.26 -4.94 113.70 125.57 3iqf s SER 174 Ca 1.05 -0.54 0.14 0.00 0.48 0.00 0.00 55.95 57.09 3iqf s SER 174 Cb -0.75 -0.72 0.99 0.00 0.10 0.00 0.00 66.02 65.64 3iqf s SER 174 CO 0.48 -0.63 1.85 -0.33 0.98 0.00 0.00 173.24 175.59 3iqf h GLU 175 N 0.90 0.49 0.00 4.02 5.08 -1.91 -1.13 114.58 122.03 3iqf h GLU 175 Ca -0.42 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3iqf h GLU 175 Cb 1.27 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 3iqf h GLU 175 CO 0.52 0.33 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.86 3iqf h ASN 176 N 0.51 0.00 1.61 1.42 2.35 -1.97 -2.52 115.58 116.98 3iqf h ASN 176 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 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 -0.20 0.09 -0.15 0.44 -1.65 0.00 0.00 177.43 175.96 3iqf h ASP 177 N 0.00 0.00 -3.61 5.81 3.45 -1.59 -3.47 116.42 117.02 3iqf h ASP 177 Ca -0.00 -0.02 -0.52 0.00 0.43 0.00 0.00 57.03 56.92 3iqf h ASP 177 Cb 0.28 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.07 3iqf h ASP 177 CO 0.01 0.01 0.54 -0.76 -1.57 0.00 0.00 179.24 177.47 3iqf s LEU 178 N -5.35 4.48 0.53 1.55 1.43 -0.95 -4.84 118.68 115.52 3iqf s LEU 178 Ca 0.07 2.27 -0.22 0.00 -1.03 0.00 0.00 54.13 55.22 3iqf s LEU 178 Cb 0.09 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 3iqf s LEU 178 CO 0.66 -0.31 1.30 -2.84 0.23 0.00 0.00 176.35 175.40 3iqf s PRO 179 N -0.69 3.28 -0.41 1.29 0.02 -1.26 -4.85 135.00 132.38 3iqf s PRO 179 Ca 0.50 2.10 0.05 0.00 0.02 0.00 0.00 61.00 63.67 3iqf s PRO 179 Cb -0.33 -2.28 0.19 0.00 0.02 0.00 0.00 34.50 32.10 3iqf s PRO 179 CO 0.39 -1.03 0.39 1.63 -0.33 0.00 0.00 177.00 178.04 3iqf n LYS 180 N -0.92 0.31 -5.11 5.54 5.02 -1.20 -0.47 118.16 121.31 3iqf n LYS 180 Ca 0.10 -3.16 -0.32 0.00 -2.02 0.00 0.00 58.31 52.91 3iqf n LYS 180 Cb 0.46 -1.56 -0.15 0.00 -0.02 0.00 0.00 35.03 33.76 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 -0.22 2.36 -0.21 -0.35 1.43 0.05 -4.98 118.68 116.76 3iqf s LEU 181 Ca 0.33 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3iqf s LEU 181 Cb 0.07 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.89 3iqf s LEU 181 CO -0.18 0.32 -0.16 -0.69 0.23 0.00 0.00 176.35 175.88 3iqf s VAL 182 N -0.62 2.10 -0.18 -1.59 1.01 -1.26 -0.56 120.40 119.30 3iqf s VAL 182 Ca 0.10 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 3iqf s VAL 182 Cb -0.11 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3iqf s VAL 182 CO 0.00 0.29 0.05 -0.63 0.00 0.00 0.00 175.10 174.81 3iqf s ILE 183 N 1.21 4.65 0.06 2.22 1.01 0.86 -4.93 121.20 126.29 3iqf s ILE 183 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 3iqf s ILE 183 Cb -0.16 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3iqf s ILE 183 CO -0.10 0.47 0.09 -0.90 0.00 0.00 0.00 174.94 174.50 3iqf n ASP 184 N 3.52 -0.25 -0.36 3.58 5.68 -1.26 -1.17 116.55 126.29 3iqf n ASP 184 Ca -0.17 -1.33 0.05 0.00 -0.50 0.00 0.00 54.79 52.84 3iqf n ASP 184 Cb 0.52 0.45 0.12 0.00 -1.14 0.00 0.00 41.12 41.08 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 -0.00 0.00 0.11 2.43 -1.87 -0.80 114.38 114.25 3iqf h ARG 185 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3iqf h ARG 185 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3iqf h ARG 185 CO 0.06 -0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.61 3iqf n ASN 186 N -5.60 0.72 -0.20 -3.80 3.02 -1.26 -2.46 115.26 105.69 3iqf n ASN 186 Ca 0.15 0.67 0.14 0.00 -0.03 0.00 0.00 54.58 55.50 3iqf n ASN 186 Cb 0.48 -0.83 0.45 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.82 0.00 3.41 2.02 -1.50 -1.62 112.91 116.04 3iqf h THR 187 Ca 0.00 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3iqf h THR 187 Cb 0.40 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3iqf h THR 187 CO 0.00 0.10 -0.11 -0.07 0.37 0.00 0.00 175.52 175.81 3iqf h LEU 188 N 0.53 0.00 -1.94 2.58 3.38 -1.65 -2.08 115.31 116.13 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 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3iqf h LEU 188 CO -0.15 0.11 -0.04 -0.07 0.09 0.00 0.00 178.44 178.39 3iqf h LEU 189 N 0.00 0.00 -2.69 1.67 3.38 -1.50 -2.45 115.31 113.71 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 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3iqf h LEU 189 CO 0.01 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 3iqf n GLU 190 N -3.20 2.67 -4.30 1.13 1.02 -0.78 -4.98 120.64 112.20 3iqf n GLU 190 Ca -0.01 -2.39 -0.28 0.00 -0.02 0.00 0.00 57.16 54.46 3iqf n GLU 190 Cb 0.24 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.06 2.20 -0.26 3.49 0.52 -0.92 -5.05 118.95 117.86 3iqf s ARG 191 Ca 0.39 -2.09 0.11 0.00 -0.52 0.00 0.00 55.73 53.62 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 0.27 -0.33 1.18 -1.91 0.02 0.00 0.00 175.30 174.54 3iqf n GLU 192 N -1.37 2.87 -0.03 3.54 4.07 -1.26 -4.86 120.64 123.60 3iqf n GLU 192 Ca -0.07 -3.86 -0.10 0.00 -0.06 0.00 0.00 57.16 53.07 3iqf n GLU 192 Cb 0.65 -1.99 -0.04 0.00 -0.06 0.00 0.00 31.44 30.01 3iqf n GLU 192 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3iqf h GLU 193 N 2.08 0.23 -5.17 5.31 4.57 -1.97 -3.43 114.58 116.21 3iqf h GLU 193 Ca 0.20 -0.02 -0.64 0.00 -1.18 0.00 0.00 59.36 57.73 3iqf h GLU 193 Cb 1.43 -0.05 -0.22 0.00 -0.16 0.00 0.00 28.75 29.76 3iqf h GLU 193 CO 0.53 0.16 -0.65 -0.06 -1.18 0.00 0.00 179.01 177.82 3iqf s PHE 194 N -6.13 3.06 0.23 0.92 0.08 -1.26 -4.58 117.98 110.31 3iqf s PHE 194 Ca -0.13 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.55 3iqf s PHE 194 Cb 0.08 -2.07 0.25 0.00 -0.57 0.00 0.00 43.02 40.72 3iqf s PHE 194 CO 0.69 -0.16 1.63 1.49 -0.10 0.00 0.00 175.22 178.77 3iqf h GLU 195 N 7.28 0.59 -5.50 0.44 4.22 -1.83 -3.44 114.58 116.34 3iqf h GLU 195 Ca -0.35 -0.27 -0.59 0.00 0.08 0.00 0.00 59.36 58.23 3iqf h GLU 195 Cb 1.18 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.31 3iqf h GLU 195 CO 0.62 0.84 -0.27 1.21 -2.18 0.00 0.00 179.01 179.23 3iqf s ASN 196 N -6.82 6.46 0.40 1.04 2.47 -1.26 -4.99 114.94 112.25 3iqf s ASN 196 Ca -0.08 0.54 0.17 0.00 0.42 0.00 0.00 52.86 53.91 3iqf s ASN 196 Cb 0.13 -2.21 0.85 0.00 -1.45 0.00 0.00 41.25 38.57 3iqf s ASN 196 CO 0.82 0.04 1.85 1.55 -3.72 0.00 0.00 177.10 177.64 3iqf h PRO 197 N 6.89 0.00 -0.04 0.43 0.13 -2.00 -2.47 132.00 134.94 3iqf h PRO 197 Ca -0.40 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 3iqf h PRO 197 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3iqf h PRO 197 CO 0.74 0.33 -0.59 1.88 -0.23 0.00 0.00 178.00 180.14 3iqf h TYR 198 N 0.00 0.15 -0.44 1.56 0.05 -1.98 -1.47 116.97 114.85 3iqf h TYR 198 Ca -0.00 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.72 3iqf h TYR 198 Cb 0.66 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 3iqf h TYR 198 CO 0.00 0.68 0.29 0.00 -1.05 0.00 0.00 178.16 178.07 3iqf h ALA 199 N 1.31 0.55 -0.49 3.88 0.00 -1.75 -0.25 119.26 122.51 3iqf h ALA 199 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iqf h ALA 199 Cb 1.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3iqf h ALA 199 CO 0.08 0.00 0.22 1.98 0.00 0.00 0.00 179.25 181.54 3iqf h MET 200 N 0.59 0.72 0.00 0.00 1.85 -1.10 -0.69 114.93 116.29 3iqf h MET 200 Ca 0.16 -0.12 -0.13 0.00 -0.61 0.00 0.00 59.70 59.01 3iqf h MET 200 Cb -0.06 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 31.82 3iqf h MET 200 CO -0.04 0.62 -0.60 -0.39 -0.40 0.00 0.00 176.91 176.10 3iqf h VAL 201 N 0.65 1.38 -0.27 -5.77 -1.51 -1.08 0.14 116.25 109.80 3iqf h VAL 201 Ca 0.17 -2.08 -0.02 0.00 -1.23 0.00 0.00 66.70 63.54 3iqf h VAL 201 Cb 0.15 2.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 3iqf h VAL 201 CO -0.02 0.59 0.08 0.11 -1.23 0.00 0.00 177.57 177.10 3iqf h LYS 202 N 0.00 0.41 -0.89 5.19 1.57 -0.91 -0.87 116.57 121.07 3iqf h LYS 202 Ca -0.01 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3iqf h LYS 202 Cb 1.09 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 3iqf h LYS 202 CO 0.08 0.48 0.56 0.00 -0.57 0.00 0.00 179.45 179.99 3iqf h ALA 203 N 0.91 1.14 -0.73 3.86 0.00 -0.79 -0.93 119.26 122.72 3iqf h ALA 203 Ca 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3iqf h ALA 203 Cb 0.24 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3iqf h ALA 203 CO -0.00 0.58 0.35 0.52 0.00 0.00 0.00 179.25 180.70 3iqf h MET 204 N 1.22 1.05 -0.79 0.00 2.86 -0.86 -1.88 114.93 116.54 3iqf h MET 204 Ca 0.32 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3iqf h MET 204 Cb -0.08 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.35 3iqf h MET 204 CO -0.06 0.82 0.41 0.00 1.06 0.00 0.00 176.91 179.14 3iqf h ALA 205 N 1.18 1.01 -0.62 6.32 0.00 -0.87 0.01 119.26 126.29 3iqf h ALA 205 Ca 0.25 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3iqf h ALA 205 Cb 0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3iqf h ALA 205 CO -0.03 0.54 0.41 0.00 0.00 0.00 0.00 179.25 180.17 3iqf h ALA 206 N 1.21 0.79 -0.25 0.00 0.00 -0.86 -0.84 119.26 119.31 3iqf h ALA 206 Ca 0.27 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3iqf h ALA 206 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3iqf h ALA 206 CO -0.04 0.22 -0.38 -0.07 0.00 0.00 0.00 179.25 178.98 3iqf h LEU 207 N 0.84 0.61 -0.32 0.00 3.38 -0.95 -1.02 115.31 117.86 3iqf h LEU 207 Ca 0.23 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3iqf h LEU 207 Cb -0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3iqf h LEU 207 CO -0.05 0.93 0.06 -0.08 0.09 0.00 0.00 178.44 179.39 3iqf h GLU 208 N 0.48 0.52 -0.11 1.13 4.57 -0.83 0.03 114.58 120.38 3iqf h GLU 208 Ca 0.05 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3iqf h GLU 208 Cb 0.88 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3iqf h GLU 208 CO 0.08 0.61 0.05 0.82 -1.18 0.00 0.00 179.01 179.39 3iqf h ILE 209 N 0.36 1.12 -0.50 2.32 2.04 -1.00 -1.14 117.51 120.70 3iqf h ILE 209 Ca 0.10 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.70 3iqf h ILE 209 Cb 0.34 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 3iqf h ILE 209 CO 0.01 0.10 0.10 0.00 0.00 0.00 0.00 178.15 178.36 3iqf h ALA 210 N 0.92 0.57 -0.93 1.87 0.00 -1.16 -0.62 119.26 119.90 3iqf h ALA 210 Ca 0.04 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3iqf h ALA 210 Cb 0.12 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3iqf h ALA 210 CO -0.00 -0.30 0.62 1.49 0.00 0.00 0.00 179.25 181.05 3iqf h GLU 211 N 0.24 1.21 0.00 0.00 4.81 -0.70 -2.26 114.58 117.89 3iqf h GLU 211 Ca 0.25 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3iqf h GLU 211 Cb 0.33 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3iqf h GLU 211 CO -0.32 0.80 -0.23 -0.91 -0.73 0.00 0.00 179.01 177.62 3iqf h ASN 212 N 1.25 0.00 -0.83 1.04 2.35 -0.27 -2.88 115.58 116.23 3iqf h ASN 212 Ca 0.34 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 56.27 3iqf h ASN 212 Cb -0.13 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.13 3iqf h ASN 212 CO -0.08 0.23 0.35 0.58 -1.65 0.00 0.00 177.43 176.87 3iqf h VAL 213 N 0.00 0.58 -0.83 2.81 2.07 -0.52 -2.78 116.25 117.58 3iqf h VAL 213 Ca -0.00 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3iqf h VAL 213 Cb 0.58 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 3iqf h VAL 213 CO 0.03 0.08 0.49 0.00 0.02 0.00 0.00 177.57 178.20 3iqf h ALA 214 N 1.62 1.15 -0.18 1.67 0.00 -1.58 -0.49 119.26 121.45 3iqf h ALA 214 Ca 0.49 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.31 3iqf h ALA 214 Cb 0.82 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3iqf h ALA 214 CO -0.46 0.19 -0.29 -0.44 0.00 0.00 0.00 179.25 178.25 3iqf h ASP 215 N 0.87 0.34 -0.03 0.00 3.45 -1.66 0.89 116.42 120.29 3iqf h ASP 215 Ca 0.38 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.71 3iqf h ASP 215 Cb 0.24 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3iqf h ASP 215 CO -0.20 0.63 -0.02 0.58 -1.57 0.00 0.00 179.24 178.65 3iqf h VAL 216 N 0.30 1.38 -0.51 -1.35 2.07 -1.22 -1.42 116.25 115.50 3iqf h VAL 216 Ca 0.04 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.45 3iqf h VAL 216 Cb 0.66 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 3iqf h VAL 216 CO 0.05 0.31 0.23 0.28 0.02 0.00 0.00 177.57 178.46 3iqf h SER 217 N -0.40 0.30 -0.41 0.57 0.02 -0.98 0.57 113.55 113.22 3iqf h SER 217 Ca 0.00 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3iqf h SER 217 Cb 0.52 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3iqf h SER 217 CO 0.01 0.21 0.27 0.58 -1.14 0.00 0.00 176.83 176.75 3iqf h VAL 218 N 0.45 1.10 -0.43 2.27 2.07 -0.81 0.24 116.25 121.13 3iqf h VAL 218 Ca 0.23 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3iqf h VAL 218 Cb 0.19 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3iqf h VAL 218 CO -0.19 0.10 0.28 -0.08 0.02 0.00 0.00 177.57 177.70 3iqf h GLU 219 N 0.55 0.55 -0.21 1.57 4.81 -0.85 0.36 114.58 121.37 3iqf h GLU 219 Ca 0.15 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 3iqf h GLU 219 Cb -0.06 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3iqf h GLU 219 CO -0.04 0.37 -0.41 0.78 -0.73 0.00 0.00 179.01 178.98 3iqf h GLY 220 N 0.57 0.53 0.81 1.92 0.00 -0.45 -0.25 103.07 106.21 3iqf h GLY 220 Ca 0.16 -0.53 -0.30 0.00 0.00 0.00 0.00 47.33 46.67 3iqf h GLY 220 CO -0.05 0.48 -1.81 0.00 0.00 0.00 0.00 176.54 175.16 3iqf n PHE 222 N -2.98 0.00 0.00 0.00 3.72 0.10 -4.91 117.46 113.39 3iqf n PHE 222 Ca -0.19 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.17 3iqf n PHE 222 Cb 1.06 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.59 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 -1.17 1.08 -2.21 -4.37 0.31 -0.93 -4.98 118.33 106.06 3iqf n VAL 223 Ca 0.00 0.24 -0.42 0.00 -0.01 0.00 0.00 64.34 64.15 3iqf n VAL 223 Cb 0.00 -1.73 -0.03 0.00 -0.91 0.00 0.00 33.84 31.17 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 -2.20 4.34 -0.00 5.55 2.56 -0.15 -4.92 118.70 123.88 3iqf s GLU 224 Ca -0.08 2.03 0.08 0.00 0.00 0.00 0.00 54.97 57.00 3iqf s GLU 224 Cb 0.02 -3.26 -0.09 0.00 2.00 0.00 0.00 34.13 32.80 3iqf s GLU 224 CO 0.11 -0.40 0.35 1.04 -0.56 0.00 0.00 175.26 175.80 3iqf n GLN 225 N 3.87 4.17 -3.22 4.30 1.13 -1.26 -4.75 117.38 121.61 3iqf n GLN 225 Ca 0.11 -0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.76 3iqf n GLN 225 Cb 0.43 -0.90 -0.08 0.00 0.11 0.00 0.00 30.24 29.80 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 -1.81 6.39 0.52 1.08 3.68 -1.26 -4.97 116.67 120.30 3iqf s ASP 226 Ca 0.03 0.31 0.16 0.00 2.13 0.00 0.00 52.55 55.19 3iqf s ASP 226 Cb 0.06 -2.28 1.28 0.00 -1.45 0.00 0.00 42.92 40.53 3iqf s ASP 226 CO 0.34 -0.38 2.14 0.07 0.13 0.00 0.00 175.17 177.48 3iqf h LYS 227 N 8.20 0.00 0.00 4.34 2.10 -1.97 0.26 116.57 129.50 3iqf h LYS 227 Ca -0.28 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 3iqf h LYS 227 Cb 1.13 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3iqf h LYS 227 CO 0.74 0.01 -0.03 0.93 -2.00 0.00 0.00 179.45 179.11 3iqf h GLU 228 N 0.00 0.00 0.01 0.07 5.08 -2.01 -1.83 114.58 115.90 3iqf h GLU 228 Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 3iqf h GLU 228 Cb 0.02 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 3iqf h GLU 228 CO 0.00 0.03 -2.36 0.54 -1.00 0.00 0.00 179.01 176.22 3iqf n ARG 229 N -3.23 0.63 0.16 2.33 1.74 0.28 -4.58 116.66 113.98 3iqf n ARG 229 Ca -0.02 0.24 0.02 0.00 -0.77 0.00 0.00 57.85 57.33 3iqf n ARG 229 Cb 0.18 -1.55 0.21 0.00 -1.02 0.00 0.00 32.46 30.28 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 -0.49 0.00 0.07 -1.55 -0.00 -0.47 -2.31 116.97 112.21 3iqf h TYR 230 Ca -0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.13 3iqf h TYR 230 Cb 1.75 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.48 3iqf h TYR 230 CO -0.01 0.51 -0.03 0.28 -0.00 0.00 0.00 178.16 178.91 3iqf h VAL 231 N 0.00 1.14 -1.00 -0.90 2.07 -1.58 -1.17 116.25 114.80 3iqf h VAL 231 Ca -0.01 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 66.88 3iqf h VAL 231 Cb 1.10 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 3iqf h VAL 231 CO 0.07 0.18 0.64 -0.65 0.02 0.00 0.00 177.57 177.83 3iqf h PRO 232 N -0.41 1.07 0.30 1.57 0.11 -1.78 -1.43 132.00 131.44 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 0.36 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 3iqf h PRO 232 CO 0.01 0.71 -0.18 0.82 -0.21 0.00 0.00 178.00 179.16 3iqf h ILE 233 N 1.11 0.63 -0.62 4.15 2.04 -1.23 -0.92 117.51 122.66 3iqf h ILE 233 Ca 0.46 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.27 3iqf h ILE 233 Cb 0.29 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3iqf h ILE 233 CO -0.20 0.00 0.20 -0.37 0.00 0.00 0.00 178.15 177.78 3iqf h VAL 234 N -0.46 1.23 -0.69 1.67 -1.51 -1.06 -2.28 116.25 113.15 3iqf h VAL 234 Ca -0.03 -0.79 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 3iqf h VAL 234 Cb 0.37 0.54 -0.03 0.00 -2.13 0.00 0.00 31.29 30.04 3iqf h VAL 234 CO 0.04 0.31 0.38 0.00 -1.23 0.00 0.00 177.57 177.06 3iqf h ALA 235 N 1.31 1.37 -0.08 5.19 0.00 -1.10 -2.36 119.26 123.58 3iqf h ALA 235 Ca 0.21 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3iqf h ALA 235 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3iqf h ALA 235 CO -0.01 0.52 -0.25 0.66 0.00 0.00 0.00 179.25 180.17 3iqf h SER 236 N 0.96 0.13 -0.73 0.00 4.64 -0.60 -1.82 113.55 116.13 3iqf h SER 236 Ca 0.24 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 3iqf h SER 236 Cb 0.02 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 3iqf h SER 236 CO -0.04 0.39 0.32 0.00 -0.87 0.00 0.00 176.83 176.63 3iqf h ALA 237 N 1.62 0.95 -0.40 5.18 0.00 -1.09 -1.38 119.26 124.14 3iqf h ALA 237 Ca 0.02 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3iqf h ALA 237 Cb 0.52 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iqf h ALA 237 CO 0.04 0.54 -0.25 0.45 0.00 0.00 0.00 179.25 180.02 3iqf h HIS 238 N 1.04 0.96 -0.56 0.00 3.86 -1.21 -1.75 115.15 117.48 3iqf h HIS 238 Ca 0.25 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 3iqf h HIS 238 Cb 0.16 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3iqf h HIS 238 CO 0.01 0.99 0.21 0.93 0.86 0.00 0.00 177.93 180.94 3iqf h GLU 239 N 0.72 0.82 -0.40 2.45 4.39 -1.07 -1.68 114.58 119.81 3iqf h GLU 239 Ca 0.09 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 3iqf h GLU 239 Cb 0.79 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 3iqf h GLU 239 CO 0.07 0.69 0.13 0.52 -1.16 0.00 0.00 179.01 179.25 3iqf h MET 240 N 0.81 0.62 -0.66 2.33 2.86 -1.00 -2.47 114.93 117.43 3iqf h MET 240 Ca 0.19 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 3iqf h MET 240 Cb 0.18 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3iqf h MET 240 CO -0.02 0.62 0.16 1.98 1.06 0.00 0.00 176.91 180.72 3iqf h MET 241 N 0.50 1.04 -0.90 1.72 1.85 -1.00 -0.56 114.93 117.58 3iqf h MET 241 Ca 0.13 -0.24 0.06 0.00 -0.61 0.00 0.00 59.70 59.04 3iqf h MET 241 Cb 0.26 -0.14 -0.06 0.00 0.43 0.00 0.00 31.60 32.08 3iqf h MET 241 CO -0.00 0.92 0.57 -0.09 -0.40 0.00 0.00 176.91 177.90 3iqf h ARG 242 N 0.99 1.01 0.00 0.39 2.43 -1.14 -0.92 114.38 117.13 3iqf h ARG 242 Ca 0.21 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.14 3iqf h ARG 242 Cb 0.35 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3iqf h ARG 242 CO 0.00 0.67 -0.82 0.87 -1.51 0.00 0.00 179.97 179.18 3iqf h LYS 243 N 1.04 0.06 -0.77 0.20 1.79 -0.94 -2.09 116.57 115.85 3iqf h LYS 243 Ca 0.39 -0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.85 3iqf h LYS 243 Cb 0.16 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 3iqf h LYS 243 CO -0.17 0.85 0.46 0.00 -1.08 0.00 0.00 179.45 179.51 3iqf h ALA 244 N 1.13 1.06 -0.53 3.86 0.00 -0.60 -1.84 119.26 122.34 3iqf h ALA 244 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3iqf h ALA 244 Cb 1.44 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3iqf h ALA 244 CO 0.11 0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 3iqf h ALA 245 N 1.38 0.94 -0.81 0.00 0.00 -0.94 -1.15 119.26 118.68 3iqf h ALA 245 Ca 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3iqf h ALA 245 Cb 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3iqf h ALA 245 CO -0.18 0.63 0.43 0.93 0.00 0.00 0.00 179.25 181.06 3iqf h GLU 246 N 0.85 1.13 -0.50 0.00 5.08 -1.08 0.29 114.58 120.36 3iqf h GLU 246 Ca 0.15 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3iqf h GLU 246 Cb 0.55 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3iqf h GLU 246 CO 0.03 0.84 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.72 3iqf h LEU 247 N 1.12 0.90 -0.58 1.33 3.38 -1.02 -0.59 115.31 119.86 3iqf h LEU 247 Ca 0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3iqf h LEU 247 Cb 0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3iqf h LEU 247 CO -0.04 1.02 0.29 0.00 0.09 0.00 0.00 178.44 179.79 3iqf h ALA 248 N 1.06 0.75 -0.67 1.53 0.00 -0.92 -1.52 119.26 119.49 3iqf h ALA 248 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iqf h ALA 248 Cb 0.62 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3iqf h ALA 248 CO 0.04 0.30 0.41 0.22 0.00 0.00 0.00 179.25 180.22 3iqf h ASP 249 N 0.79 0.80 -0.68 0.00 3.58 -0.70 -2.05 116.42 118.16 3iqf h ASP 249 Ca 0.20 -0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.61 3iqf h ASP 249 Cb 0.11 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 3iqf h ASP 249 CO -0.03 0.62 0.44 -0.08 -2.88 0.00 0.00 179.24 177.32 3iqf h GLU 250 N 0.91 0.87 -0.31 0.28 4.81 -0.82 -1.14 114.58 119.18 3iqf h GLU 250 Ca 0.24 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3iqf h GLU 250 Cb -0.04 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 3iqf h GLU 250 CO -0.05 0.58 0.19 0.00 -0.73 0.00 0.00 179.01 179.00 3iqf h ALA 251 N 1.26 0.39 -0.77 2.92 0.00 -1.03 -1.97 119.26 120.07 3iqf h ALA 251 Ca 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3iqf h ALA 251 Cb -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3iqf h ALA 251 CO -0.07 -0.17 0.33 -0.09 0.00 0.00 0.00 179.25 179.25 3iqf h ARG 252 N 0.38 1.13 -0.25 0.00 2.43 -0.87 -2.40 114.38 114.80 3iqf h ARG 252 Ca 0.12 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3iqf h ARG 252 Cb -0.01 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3iqf h ARG 252 CO -0.05 0.90 -0.16 0.93 -1.51 0.00 0.00 179.97 180.08 3iqf h GLU 253 N 1.11 0.42 -0.33 0.20 4.39 -1.00 -1.09 114.58 118.28 3iqf h GLU 253 Ca 0.26 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.84 3iqf h GLU 253 Cb 0.17 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3iqf h GLU 253 CO -0.03 0.58 0.21 -0.07 -1.16 0.00 0.00 179.01 178.55 3iqf h LEU 254 N 0.39 0.36 -0.89 1.33 3.38 -0.95 -0.05 115.31 118.88 3iqf h LEU 254 Ca 0.07 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3iqf h LEU 254 Cb 0.52 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3iqf h LEU 254 CO 0.03 0.26 0.58 -0.33 0.09 0.00 0.00 178.44 179.08 3iqf h GLU 255 N 0.43 1.18 -0.81 1.13 4.39 -0.93 -1.56 114.58 118.42 3iqf h GLU 255 Ca 0.12 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.82 3iqf h GLU 255 Cb -0.04 -0.26 -0.06 0.00 -0.10 0.00 0.00 28.75 28.29 3iqf h GLU 255 CO -0.04 0.79 0.49 0.87 -1.16 0.00 0.00 179.01 179.96 3iqf h LYS 256 N 1.21 0.85 0.00 2.33 1.57 -0.81 -0.15 116.57 121.57 3iqf h LYS 256 Ca 0.33 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3iqf h LYS 256 Cb -0.13 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 31.99 3iqf h LYS 256 CO -0.07 0.56 -0.03 0.66 -0.57 0.00 0.00 179.45 180.00 3iqf h SER 257 N 0.87 0.00 -0.42 0.86 4.64 0.04 -0.55 113.55 118.98 3iqf h SER 257 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3iqf h SER 257 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3iqf h SER 257 CO -0.19 0.03 0.00 0.59 -0.87 0.00 0.00 176.83 176.39 3iqf n ASN 258 N -3.19 3.32 -3.84 4.97 3.02 -1.01 -4.97 115.26 113.56 3iqf n ASN 258 Ca -0.01 -1.94 -0.25 0.00 -0.03 0.00 0.00 54.58 52.35 3iqf n ASN 258 Cb 0.21 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3iqf n ASN 258 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iqf n ASP 259 N 1.24 -1.17 -0.86 6.41 2.03 -0.21 -4.91 116.55 119.08 3iqf n ASP 259 Ca 0.18 -0.95 0.04 0.00 0.52 0.00 0.00 54.79 54.58 3iqf n ASP 259 Cb 0.54 -3.42 0.07 0.00 -0.72 0.00 0.00 41.12 37.59 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 -4.33 2.48 -2.34 -1.67 0.00 -0.11 -4.04 120.51 110.50 3iqf n ALA 260 Ca -0.28 -2.17 -0.43 0.00 0.00 0.00 0.00 53.44 50.56 3iqf n ALA 260 Cb 0.67 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.98 4.11 0.12 0.00 1.01 -1.12 -4.62 120.40 118.93 3iqf s VAL 261 Ca 0.25 1.32 -0.31 0.00 0.00 0.00 0.00 61.98 63.23 3iqf s VAL 261 Cb 0.26 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 3iqf s VAL 261 CO -0.08 -0.22 1.42 -0.22 0.00 0.00 0.00 175.10 176.00 3iqf s LEU 262 N 3.93 4.37 -0.05 3.92 2.96 -1.26 -4.34 118.68 128.21 3iqf s LEU 262 Ca 0.59 2.37 0.02 0.00 -0.22 0.00 0.00 54.13 56.89 3iqf s LEU 262 Cb -0.22 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.89 3iqf s LEU 262 CO 0.20 -0.68 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.31 3iqf s ARG 263 N 1.10 1.36 -0.50 1.98 0.52 -0.55 -5.02 118.95 117.84 3iqf s ARG 263 Ca 0.65 -0.35 0.07 0.00 -0.52 0.00 0.00 55.73 55.58 3iqf s ARG 263 Cb -0.38 -1.19 0.24 0.00 0.52 0.00 0.00 34.95 34.15 3iqf s ARG 263 CO 0.30 0.06 0.60 0.25 0.02 0.00 0.00 175.30 176.53 3iqf n THR 264 N 3.63 0.54 -1.62 0.02 -2.24 -1.26 -1.31 114.28 112.04 3iqf n THR 264 Ca -0.22 -4.48 -0.31 0.00 -2.27 0.00 0.00 64.05 56.77 3iqf n THR 264 Cb 0.52 -2.01 0.04 0.00 -2.10 0.00 0.00 70.33 66.79 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 -1.64 3.04 0.12 -0.78 0.04 -1.23 -4.59 135.00 129.96 3iqf s PRO 265 Ca 0.37 0.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 3iqf s PRO 265 Cb 0.15 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 3iqf s PRO 265 CO -0.08 -1.01 0.60 -1.01 0.04 0.00 0.00 177.00 175.54 3iqf s HIS 266 N -3.07 3.74 0.71 0.56 3.76 -1.26 -0.02 115.29 119.70 3iqf s HIS 266 Ca 0.58 1.25 -0.11 0.00 -0.15 0.00 0.00 55.06 56.63 3iqf s HIS 266 Cb -0.13 -2.50 0.02 0.00 1.11 0.00 0.00 32.58 31.07 3iqf s HIS 266 CO 0.55 0.51 1.08 0.00 -0.85 0.00 0.00 174.74 176.02 3iqf s ALA 267 N -1.27 2.75 0.52 -1.40 0.00 0.25 -4.92 121.76 117.70 3iqf s ALA 267 Ca 0.34 -0.20 0.21 0.00 0.00 0.00 0.00 51.96 52.31 3iqf s ALA 267 Cb -0.18 -3.08 1.32 0.00 0.00 0.00 0.00 23.12 21.18 3iqf s ALA 267 CO 0.20 -1.20 2.07 -1.35 0.00 0.00 0.00 175.76 175.47 3iqf h PRO 268 N -0.70 0.02 -0.04 0.00 0.11 -1.90 0.24 132.00 129.73 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 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iqf h PRO 268 CO 0.61 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3iqf n ASP 269 N -4.46 0.67 0.00 -2.05 5.75 -1.26 -0.04 116.55 115.16 3iqf n ASP 269 Ca 0.04 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 3iqf n ASP 269 Cb 0.36 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 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 1.00 0.97 3.71 6.12 0.00 0.85 -4.73 105.19 113.11 3iqf n GLY 270 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 2.39 -2.97 1.61 4.81 -1.26 -4.63 118.16 116.12 3iqf n LYS 271 Ca 0.00 0.85 -0.41 0.00 -0.87 0.00 0.00 58.31 57.88 3iqf n LYS 271 Cb 0.00 -2.57 -0.05 0.00 0.02 0.00 0.00 35.03 32.43 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 -0.09 4.91 0.55 3.15 1.01 -1.26 -0.58 120.40 128.08 3iqf s VAL 272 Ca 0.65 1.45 0.06 0.00 0.00 0.00 0.00 61.98 64.14 3iqf s VAL 272 Cb -0.56 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 31.82 3iqf s VAL 272 CO 0.50 0.00 0.76 -0.76 0.00 0.00 0.00 175.10 175.60 3iqf s LEU 273 N 2.42 3.27 -0.09 3.92 1.43 0.97 -4.97 118.68 125.63 3iqf s LEU 273 Ca 0.33 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3iqf s LEU 273 Cb -0.16 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.88 3iqf s LEU 273 CO 0.09 -1.23 0.29 -0.55 0.23 0.00 0.00 176.35 175.18 3iqf s SER 274 N -4.55 -0.28 0.15 2.29 0.15 -1.26 -3.54 113.70 106.66 3iqf s SER 274 Ca 0.60 0.50 -0.19 0.00 0.70 0.00 0.00 55.95 57.56 3iqf s SER 274 Cb -0.08 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.83 3iqf s SER 274 CO 0.38 -0.16 0.49 -1.59 1.20 0.00 0.00 173.24 173.56 3iqf s LYS 275 N -0.10 1.20 0.00 5.44 -2.85 -0.42 -1.80 119.74 121.20 3iqf s LYS 275 Ca -0.02 -0.66 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 3iqf s LYS 275 Cb -0.03 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 3iqf s LYS 275 CO 0.01 -0.50 0.00 0.54 0.10 0.00 0.00 175.35 175.50 3iqf n ARG 276 N -0.30 0.00 -2.78 1.78 5.12 -1.26 -1.48 116.66 117.74 3iqf n ARG 276 Ca -0.15 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.37 3iqf n ARG 276 Cb 0.64 -0.82 -0.06 0.00 -1.16 0.00 0.00 32.46 31.05 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 -1.96 4.77 0.19 5.56 1.02 -1.26 -2.77 119.74 125.29 3iqf s LYS 277 Ca 0.00 1.42 -0.13 0.00 0.02 0.00 0.00 55.97 57.28 3iqf s LYS 277 Cb 0.00 -3.19 0.19 0.00 -0.52 0.00 0.00 37.83 34.31 3iqf s LYS 277 CO 0.00 0.48 1.71 0.35 -0.92 0.00 0.00 175.35 176.97 3iqf h PHE 278 N 3.98 0.09 -0.09 3.18 3.04 -1.91 -1.68 116.94 123.55 3iqf h PHE 278 Ca -0.46 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.53 3iqf h PHE 278 Cb 1.20 0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.74 3iqf h PHE 278 CO 0.61 -0.04 0.00 -1.33 -2.02 0.00 0.00 178.31 175.53 3iqf n MET 279 N -5.15 1.60 -2.48 1.11 2.81 -1.26 -4.88 117.12 108.87 3iqf n MET 279 Ca 0.05 -0.90 -0.41 0.00 -1.81 0.00 0.00 57.70 54.63 3iqf n MET 279 Cb 0.25 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.89 4.52 0.28 0.03 2.12 -0.63 -5.02 118.70 118.12 3iqf s GLU 280 Ca 0.35 1.73 -0.29 0.00 0.36 0.00 0.00 54.97 57.11 3iqf s GLU 280 Cb 0.18 -3.31 -0.10 0.00 0.26 0.00 0.00 34.13 31.16 3iqf s GLU 280 CO 0.29 -0.07 1.39 -0.51 -0.54 0.00 0.00 175.26 175.82 3iqf s ASP 281 N 0.39 6.69 0.26 -1.70 1.11 -1.26 -4.89 116.67 117.28 3iqf s ASP 281 Ca 0.53 2.68 -0.29 0.00 0.18 0.00 0.00 52.55 55.65 3iqf s ASP 281 Cb -0.29 -2.63 -0.09 0.00 1.07 0.00 0.00 42.92 40.97 3iqf s ASP 281 CO 0.33 -0.64 1.20 -2.16 1.18 0.00 0.00 175.17 175.08 3iqf s PRO 282 N -0.98 4.50 0.00 8.23 0.04 -1.26 -4.82 135.00 140.72 3iqf s PRO 282 Ca 0.55 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3iqf s PRO 282 Cb -0.41 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3iqf s PRO 282 CO 0.48 -0.02 0.00 0.39 0.04 0.00 0.00 177.00 177.89