#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 3.63 0.19 1.08 1.01 -1.26 -4.60 120.40 120.45 3iqf s VAL 3 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 3iqf s VAL 3 Cb 0.00 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.55 3iqf s VAL 3 CO 0.00 0.28 0.88 0.00 0.00 0.00 0.00 175.10 176.26 3iqf s ALA 4 N 1.49 3.36 0.00 5.51 0.00 0.72 -4.91 121.76 127.93 3iqf s ALA 4 Ca 0.04 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.60 3iqf s ALA 4 Cb -0.16 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3iqf s ALA 4 CO -0.01 0.20 -0.25 0.15 0.00 0.00 0.00 175.76 175.85 3iqf s LYS 5 N -0.97 2.03 -0.00 0.00 1.02 -1.26 -0.92 119.74 119.64 3iqf s LYS 5 Ca 0.40 -0.98 -0.10 0.00 0.02 0.00 0.00 55.97 55.31 3iqf s LYS 5 Cb -0.24 -2.05 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 3iqf s LYS 5 CO 0.29 0.55 0.20 0.00 -0.92 0.00 0.00 175.35 175.47 3iqf s ALA 6 N -0.70 -0.49 -0.13 5.17 0.00 -1.06 -0.04 121.76 124.50 3iqf s ALA 6 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 3iqf s ALA 6 Cb -0.10 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3iqf s ALA 6 CO 0.00 -0.23 -0.09 0.42 0.00 0.00 0.00 175.76 175.87 3iqf s ILE 7 N -1.38 3.45 -0.17 0.00 1.01 -1.04 -1.82 121.20 121.25 3iqf s ILE 7 Ca -0.14 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3iqf s ILE 7 Cb -0.07 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3iqf s ILE 7 CO 0.03 0.52 0.03 -0.36 0.00 0.00 0.00 174.94 175.16 3iqf s PHE 8 N 0.24 3.19 -0.16 3.97 0.40 0.60 -0.93 117.98 125.29 3iqf s PHE 8 Ca -0.06 -0.02 -0.02 0.00 -0.60 0.00 0.00 56.93 56.23 3iqf s PHE 8 Cb -0.15 -2.04 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 3iqf s PHE 8 CO 0.04 0.11 -0.09 0.42 0.70 0.00 0.00 175.22 176.41 3iqf s ILE 9 N 0.33 3.32 -0.24 0.64 1.01 0.25 -0.74 121.20 125.77 3iqf s ILE 9 Ca 0.01 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3iqf s ILE 9 Cb -0.13 -2.44 0.06 0.00 0.01 0.00 0.00 42.46 39.96 3iqf s ILE 9 CO 0.01 0.49 -0.07 -0.54 0.00 0.00 0.00 174.94 174.83 3iqf s LYS 10 N 0.68 1.79 -0.09 2.79 1.02 -0.21 -0.39 119.74 125.34 3iqf s LYS 10 Ca -0.04 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 54.88 3iqf s LYS 10 Cb -0.15 -2.66 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 3iqf s LYS 10 CO 0.02 -0.59 -0.10 0.00 -0.92 0.00 0.00 175.35 173.76 3iqf n GLY 12 N 4.29 -2.02 2.82 0.00 0.00 -0.51 -4.16 105.19 105.62 3iqf n GLY 12 Ca -0.19 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.58 0.25 0.09 1.61 2.47 -1.26 -4.65 114.94 109.87 3iqf s ASN 13 Ca 0.00 -0.01 0.05 0.00 0.42 0.00 0.00 52.86 53.33 3iqf s ASN 13 Cb 0.00 -0.13 -0.03 0.00 -1.45 0.00 0.00 41.25 39.64 3iqf s ASN 13 CO 0.00 -0.08 -0.14 -0.76 -3.72 0.00 0.00 177.10 172.40 3iqf s LEU 14 N 0.78 2.33 0.25 3.21 1.02 -1.26 -4.53 118.68 120.48 3iqf s LEU 14 Ca -0.07 -0.69 -0.04 0.00 0.02 0.00 0.00 54.13 53.34 3iqf s LEU 14 Cb -0.10 -0.51 0.35 0.00 0.02 0.00 0.00 46.19 45.95 3iqf s LEU 14 CO -0.02 -0.11 1.87 1.23 0.02 0.00 0.00 176.35 179.34 3iqf h GLY 15 N 4.00 1.40 1.07 -3.19 0.00 -1.94 -1.41 103.07 103.00 3iqf h GLY 15 Ca -0.40 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.36 3iqf h GLY 15 CO 0.44 0.33 -0.23 -0.84 0.00 0.00 0.00 176.54 176.23 3iqf h THR 16 N 1.10 1.28 0.00 4.70 2.02 -1.97 -2.95 112.91 117.10 3iqf h THR 16 Ca 0.40 -1.39 -0.13 0.00 0.77 0.00 0.00 66.41 66.06 3iqf h THR 16 Cb 0.13 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3iqf h THR 16 CO -0.16 0.47 -0.60 0.77 0.37 0.00 0.00 175.52 176.37 3iqf h SER 17 N 0.73 0.00 -0.43 4.18 4.64 -1.85 -0.96 113.55 119.86 3iqf h SER 17 Ca 0.09 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 3iqf h SER 17 Cb 0.81 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3iqf h SER 17 CO 0.07 0.60 0.13 -0.03 -0.87 0.00 0.00 176.83 176.73 3iqf h MET 18 N 0.00 0.73 0.00 4.77 -1.53 -1.15 -3.27 114.93 114.48 3iqf h MET 18 Ca -0.01 -0.13 0.00 0.00 -3.44 0.00 0.00 59.70 56.12 3iqf h MET 18 Cb 1.08 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 32.01 3iqf h MET 18 CO 0.08 0.66 -0.66 -1.33 0.14 0.00 0.00 176.91 175.80 3iqf n MET 19 N -4.30 2.39 -0.18 0.39 2.81 -1.09 -4.76 117.12 112.39 3iqf n MET 19 Ca 0.03 -0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.91 3iqf n MET 19 Cb 0.21 -1.16 0.08 0.00 -0.71 0.00 0.00 33.22 31.64 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 0.36 -0.42 0.03 -0.00 -1.23 -1.50 114.93 112.16 3iqf h MET 20 Ca 0.00 -0.02 -0.15 0.00 -0.00 0.00 0.00 59.70 59.53 3iqf h MET 20 Cb 0.33 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 31.84 3iqf h MET 20 CO 0.00 0.24 -0.31 0.38 -0.00 0.00 0.00 176.91 177.21 3iqf h ASP 21 N 0.37 0.99 0.61 -0.10 2.03 -1.86 -3.19 116.42 115.27 3iqf h ASP 21 Ca 0.27 -0.42 -0.06 0.00 -0.73 0.00 0.00 57.03 56.09 3iqf h ASP 21 Cb 0.31 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.53 3iqf h ASP 21 CO -0.28 1.21 -0.28 0.24 -1.03 0.00 0.00 179.24 179.10 3iqf h MET 22 N 0.79 0.00 0.00 4.15 2.86 -1.63 -1.64 114.93 119.46 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 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3iqf h MET 22 CO 0.08 0.28 0.00 -0.07 1.06 0.00 0.00 176.91 178.26 3iqf h LEU 23 N 0.00 0.00 -0.28 1.22 3.38 -1.32 -2.80 115.31 115.50 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 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3iqf h LEU 23 CO 0.04 0.00 -0.47 0.18 0.09 0.00 0.00 178.44 178.27 3iqf n LEU 24 N -2.76 0.91 -2.77 1.67 4.77 -0.62 -4.58 117.00 113.62 3iqf n LEU 24 Ca -0.00 -0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 55.64 3iqf n LEU 24 Cb 0.17 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3iqf n LEU 24 CO 0.20 0.19 0.23 -0.67 -1.33 0.00 0.00 177.39 176.02 3iqf n ASP 25 N -1.04 -2.38 0.30 -1.43 2.03 -1.06 -4.98 116.55 107.99 3iqf n ASP 25 Ca 0.08 -3.47 0.19 0.00 0.52 0.00 0.00 54.79 52.11 3iqf n ASP 25 Cb 0.35 1.71 0.88 0.00 -0.72 0.00 0.00 41.12 43.34 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 3.47 0.00 -0.04 -0.67 9.09 -1.80 -1.49 114.58 123.14 3iqf h GLU 26 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.30 3iqf h GLU 26 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 3iqf h GLU 26 CO 0.24 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.84 3iqf n ARG 27 N -3.09 2.77 -2.03 1.06 1.74 -1.26 -4.99 116.66 110.86 3iqf n ARG 27 Ca -0.01 -1.71 -0.20 0.00 -0.77 0.00 0.00 57.85 55.16 3iqf n ARG 27 Cb 0.22 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 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 -0.52 -0.48 0.61 7.54 0.00 -0.56 -4.87 120.51 122.22 3iqf n ALA 28 Ca 0.03 0.24 0.08 0.00 0.00 0.00 0.00 53.44 53.79 3iqf n ALA 28 Cb 0.33 -2.09 0.07 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.68 2.31 -4.71 0.00 5.68 -1.26 -4.97 116.55 111.92 3iqf n ASP 29 Ca -0.22 -1.65 -0.42 0.00 -0.50 0.00 0.00 54.79 51.99 3iqf n ASP 29 Cb 0.68 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.62 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 -1.27 4.29 0.00 0.11 0.52 -1.26 -4.43 118.95 116.91 3iqf s ARG 30 Ca 0.18 2.12 0.24 0.00 -0.52 0.00 0.00 55.73 57.75 3iqf s ARG 30 Cb 0.13 -3.31 0.19 0.00 0.52 0.00 0.00 34.95 32.48 3iqf s ARG 30 CO 0.19 -0.50 1.21 0.39 0.02 0.00 0.00 175.30 176.61 3iqf n GLU 31 N 4.28 1.10 -0.26 3.54 1.02 0.28 -4.34 120.64 126.25 3iqf n GLU 31 Ca 0.12 -0.86 0.09 0.00 -0.02 0.00 0.00 57.16 56.50 3iqf n GLU 31 Cb 0.42 -1.48 0.23 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 -0.20 3.41 -4.03 1.62 3.85 -1.26 -4.76 116.55 115.17 3iqf n ASP 32 Ca 0.10 -1.98 -0.09 0.00 -0.71 0.00 0.00 54.79 52.11 3iqf n ASP 32 Cb 0.44 -0.34 -0.11 0.00 -1.35 0.00 0.00 41.12 39.76 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 0.25 -0.13 2.12 -7.23 -1.26 -0.20 120.40 112.91 3iqf s VAL 33 Ca 0.36 -1.23 -0.06 0.00 -1.81 0.00 0.00 61.98 59.23 3iqf s VAL 33 Cb 0.19 -0.73 0.05 0.00 0.56 0.00 0.00 36.38 36.45 3iqf s VAL 33 CO 0.25 -0.63 0.30 -0.70 -0.31 0.00 0.00 175.10 174.00 3iqf s GLU 34 N -2.26 0.25 0.16 4.82 2.12 -0.10 -4.89 118.70 118.80 3iqf s GLU 34 Ca -0.07 0.64 0.10 0.00 0.36 0.00 0.00 54.97 56.00 3iqf s GLU 34 Cb -0.04 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.23 3iqf s GLU 34 CO -0.03 -0.18 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.21 3iqf s PHE 35 N 1.49 2.15 0.00 5.30 2.99 -1.26 -2.57 117.98 126.08 3iqf s PHE 35 Ca -0.08 -0.39 0.08 0.00 0.00 0.00 0.00 56.93 56.54 3iqf s PHE 35 Cb -0.10 -1.11 -0.02 0.00 0.00 0.00 0.00 43.02 41.79 3iqf s PHE 35 CO -0.10 0.38 -0.23 1.03 -0.00 0.00 0.00 175.22 176.30 3iqf s ARG 36 N -2.41 1.80 -0.08 0.44 1.81 -0.75 -4.99 118.95 114.76 3iqf s ARG 36 Ca 0.16 -0.90 0.03 0.00 -1.72 0.00 0.00 55.73 53.30 3iqf s ARG 36 Cb -0.08 -1.80 0.01 0.00 -0.45 0.00 0.00 34.95 32.62 3iqf s ARG 36 CO 0.07 0.49 -0.16 0.08 -0.68 0.00 0.00 175.30 175.10 3iqf s VAL 37 N -0.63 1.44 0.07 3.52 1.01 -1.26 -0.29 120.40 124.25 3iqf s VAL 37 Ca 0.09 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3iqf s VAL 37 Cb -0.09 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3iqf s VAL 37 CO 0.00 0.42 -0.06 0.68 0.00 0.00 0.00 175.10 176.15 3iqf s VAL 38 N 0.60 0.51 -0.01 2.92 -7.23 0.08 -4.96 120.40 112.30 3iqf s VAL 38 Ca -0.15 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 58.37 3iqf s VAL 38 Cb -0.16 -1.25 0.02 0.00 0.56 0.00 0.00 36.38 35.54 3iqf s VAL 38 CO 0.05 -0.74 0.21 0.61 -0.31 0.00 0.00 175.10 174.92 3iqf n GLY 39 N 0.51 0.35 0.48 2.32 0.00 -1.26 -1.04 105.19 106.54 3iqf n GLY 39 Ca -0.16 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.15 1.90 -3.96 2.61 -2.24 -1.15 -4.93 114.28 106.35 3iqf n THR 40 Ca 0.01 -2.69 0.00 0.00 -2.27 0.00 0.00 64.05 59.10 3iqf n THR 40 Cb 0.09 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.09 0.00 0.20 3.42 2.88 -1.26 -2.92 113.62 114.85 3iqf n SER 41 Ca 0.17 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.85 3iqf n SER 41 Cb 0.70 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.70 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 -3.17 2.46 -1.51 -1.91 -1.35 116.25 110.77 3iqf h VAL 42 Ca 0.00 -0.44 -0.55 0.00 -1.23 0.00 0.00 66.70 64.47 3iqf h VAL 42 Cb 0.00 1.34 -0.03 0.00 -2.13 0.00 0.00 31.29 30.47 3iqf h VAL 42 CO 0.00 0.00 0.64 -0.54 -1.23 0.00 0.00 177.57 176.44 3iqf s LYS 43 N -3.43 4.38 -0.05 5.19 1.02 -1.15 -3.06 119.74 122.65 3iqf s LYS 43 Ca 0.04 1.54 0.13 0.00 0.02 0.00 0.00 55.97 57.70 3iqf s LYS 43 Cb 0.09 -3.55 0.24 0.00 -0.52 0.00 0.00 37.83 34.09 3iqf s LYS 43 CO 0.50 -0.39 1.11 0.00 -0.92 0.00 0.00 175.35 175.65 3iqf n MET 44 N 5.11 0.46 -1.50 1.68 0.00 -1.26 -3.96 117.12 117.66 3iqf n MET 44 Ca 0.10 -1.91 -0.32 0.00 0.00 0.00 0.00 57.70 55.57 3iqf n MET 44 Cb 0.47 -0.70 0.07 0.00 0.00 0.00 0.00 33.22 33.07 3iqf n MET 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3iqf s ASP 45 N -1.96 4.84 0.26 3.17 1.01 -1.26 -3.81 116.67 118.93 3iqf s ASP 45 Ca 0.21 1.87 -0.04 0.00 0.71 0.00 0.00 52.55 55.30 3iqf s ASP 45 Cb 0.22 -2.53 0.53 0.00 1.01 0.00 0.00 42.92 42.14 3iqf s ASP 45 CO -0.05 -1.81 1.62 -0.65 0.21 0.00 0.00 175.17 174.49 3iqf h PRO 46 N -0.61 0.08 -0.72 8.23 0.11 -1.85 -1.72 132.00 135.52 3iqf h PRO 46 Ca -0.45 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3iqf h PRO 46 Cb 1.23 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3iqf h PRO 46 CO 0.53 0.06 0.21 0.93 -0.21 0.00 0.00 178.00 179.51 3iqf h GLU 47 N 0.09 1.13 -0.31 1.05 4.39 -1.95 -1.01 114.58 117.97 3iqf h GLU 47 Ca 0.47 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 3iqf h GLU 47 Cb 0.86 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 3iqf h GLU 47 CO -0.74 0.98 0.04 0.00 -1.16 0.00 0.00 179.01 178.13 3iqf h VAL 49 N 0.33 1.26 -0.01 0.00 2.07 -1.31 0.19 116.25 118.78 3iqf h VAL 49 Ca 0.09 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3iqf h VAL 49 Cb 0.37 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3iqf h VAL 49 CO 0.01 0.36 -0.06 -0.08 0.02 0.00 0.00 177.57 177.83 3iqf h GLU 50 N 1.05 -0.09 -0.70 1.57 4.81 -1.13 0.20 114.58 120.29 3iqf h GLU 50 Ca 0.22 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3iqf h GLU 50 Cb 0.35 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3iqf h GLU 50 CO 0.00 -0.06 0.46 0.00 -0.73 0.00 0.00 179.01 178.67 3iqf h ALA 51 N 0.90 1.49 -0.34 2.92 0.00 -0.96 0.80 119.26 124.07 3iqf h ALA 51 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3iqf h ALA 51 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3iqf h ALA 51 CO -0.06 0.47 -0.08 0.00 0.00 0.00 0.00 179.25 179.57 3iqf h ALA 52 N 1.55 0.47 -0.55 0.00 0.00 -0.40 -0.95 119.26 119.38 3iqf h ALA 52 Ca 0.25 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3iqf h ALA 52 Cb -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3iqf h ALA 52 CO -0.05 0.31 -0.11 0.28 0.00 0.00 0.00 179.25 179.67 3iqf h VAL 53 N 0.44 1.27 -0.76 0.00 2.07 -0.11 -2.27 116.25 116.89 3iqf h VAL 53 Ca 0.09 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.37 3iqf h VAL 53 Cb 0.58 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3iqf h VAL 53 CO 0.03 0.45 0.47 -0.33 0.02 0.00 0.00 177.57 178.21 3iqf h GLU 54 N 0.93 0.86 -0.42 1.57 5.08 -0.78 0.99 114.58 122.80 3iqf h GLU 54 Ca 0.14 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3iqf h GLU 54 Cb 0.69 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 3iqf h GLU 54 CO 0.05 0.57 0.09 0.52 -1.00 0.00 0.00 179.01 179.24 3iqf h MET 55 N 0.88 0.22 0.21 2.33 2.86 -0.70 0.96 114.93 121.69 3iqf h MET 55 Ca 0.32 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 3iqf h MET 55 Cb 0.10 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3iqf h MET 55 CO -0.15 0.14 -0.11 0.00 1.06 0.00 0.00 176.91 177.86 3iqf h ALA 56 N 1.31 -0.29 -0.62 6.32 0.00 -0.83 -1.92 119.26 123.23 3iqf h ALA 56 Ca 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 56 Cb 0.24 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3iqf h ALA 56 CO -0.26 -0.66 0.16 -0.07 0.00 0.00 0.00 179.25 178.42 3iqf h LEU 57 N -0.29 0.91 -0.06 0.00 3.38 -0.61 0.15 115.31 118.79 3iqf h LEU 57 Ca -0.03 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3iqf h LEU 57 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3iqf h LEU 57 CO 0.04 0.87 -0.06 0.44 0.09 0.00 0.00 178.44 179.82 3iqf h ASP 58 N 0.93 -0.20 -0.63 -0.43 5.19 -0.73 -2.27 116.42 118.28 3iqf h ASP 58 Ca 0.20 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3iqf h ASP 58 Cb 0.32 0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 3iqf h ASP 58 CO -0.00 -0.09 0.40 0.40 -3.12 0.00 0.00 179.24 176.82 3iqf h ILE 59 N -0.09 1.17 -0.83 0.35 2.04 -0.97 -3.16 117.51 116.03 3iqf h ILE 59 Ca 0.05 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3iqf h ILE 59 Cb 0.15 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 3iqf h ILE 59 CO -0.11 0.17 0.55 0.00 0.00 0.00 0.00 178.15 178.76 3iqf h ALA 60 N 1.57 1.52 -0.71 1.87 0.00 -0.12 0.01 119.26 123.40 3iqf h ALA 60 Ca 0.23 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.24 3iqf h ALA 60 Cb -0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 17.79 17.32 3iqf h ALA 60 CO -0.05 0.38 -0.27 0.93 0.00 0.00 0.00 179.25 180.25 3iqf h GLU 61 N 0.99 -0.06 0.05 0.00 4.39 -1.46 0.30 114.58 118.79 3iqf h GLU 61 Ca 0.34 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.72 3iqf h GLU 61 Cb 0.10 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 3iqf h GLU 61 CO -0.11 -0.04 -1.82 -0.25 -1.16 0.00 0.00 179.01 175.63 3iqf n ASP 62 N -5.47 1.34 0.06 1.42 8.00 -1.05 -4.41 116.55 116.43 3iqf n ASP 62 Ca 0.08 0.34 -0.10 0.00 0.71 0.00 0.00 54.79 55.82 3iqf n ASP 62 Cb 0.38 -0.36 0.02 0.00 -0.02 0.00 0.00 41.12 41.14 3iqf n ASP 62 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3iqf h PHE 63 N 0.03 0.53 -5.64 1.24 3.57 -0.67 -3.48 116.94 112.51 3iqf h PHE 63 Ca -0.34 -0.24 -0.29 0.00 3.53 0.00 0.00 57.97 60.63 3iqf h PHE 63 Cb 2.02 -0.08 0.17 0.00 2.79 0.00 0.00 35.95 40.85 3iqf h PHE 63 CO 0.03 1.00 -0.87 0.39 -2.23 0.00 0.00 178.31 176.63 3iqf n GLU 64 N -3.82 -1.98 -1.86 1.11 1.02 0.10 -4.96 120.64 110.26 3iqf n GLU 64 Ca -0.04 0.78 -0.35 0.00 -0.02 0.00 0.00 57.16 57.53 3iqf n GLU 64 Cb 0.72 -5.41 0.04 0.00 -0.02 0.00 0.00 31.44 26.77 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 -4.76 2.81 0.10 3.49 0.04 -1.26 -4.80 135.00 130.62 3iqf s PRO 65 Ca 0.46 1.64 0.02 0.00 0.04 0.00 0.00 61.00 63.16 3iqf s PRO 65 Cb -0.09 -1.93 -0.24 0.00 0.04 0.00 0.00 34.50 32.29 3iqf s PRO 65 CO 0.77 -1.29 1.22 -0.44 0.04 0.00 0.00 177.00 177.30 3iqf h ASP 66 N 0.44 0.19 -5.20 6.66 3.32 -0.83 -3.48 116.42 117.52 3iqf h ASP 66 Ca -0.49 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.29 3iqf h ASP 66 Cb 1.28 -0.06 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 3iqf h ASP 66 CO 0.54 1.16 -0.17 0.72 -1.72 0.00 0.00 179.24 179.76 3iqf s PHE 67 N -2.70 0.23 -0.02 4.55 -0.12 -1.18 -4.29 117.98 114.45 3iqf s PHE 67 Ca -0.01 -0.58 0.07 0.00 -0.05 0.00 0.00 56.93 56.35 3iqf s PHE 67 Cb 0.09 0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 3iqf s PHE 67 CO 0.85 -0.83 -0.23 0.42 -0.05 0.00 0.00 175.22 175.38 3iqf s ILE 68 N -3.95 1.78 -0.13 -4.49 1.01 0.09 -2.49 121.20 113.02 3iqf s ILE 68 Ca 0.16 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.86 3iqf s ILE 68 Cb 0.01 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 3iqf s ILE 68 CO 0.01 0.50 -0.19 -0.69 0.00 0.00 0.00 174.94 174.58 3iqf s VAL 69 N -0.50 2.46 -0.17 2.92 1.01 -0.10 -0.86 120.40 125.16 3iqf s VAL 69 Ca 0.08 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 3iqf s VAL 69 Cb -0.09 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3iqf s VAL 69 CO -0.01 0.54 -0.06 -0.47 0.00 0.00 0.00 175.10 175.10 3iqf s TYR 70 N 0.59 2.95 -0.06 5.22 6.14 -0.52 0.84 117.35 132.51 3iqf s TYR 70 Ca -0.11 -0.59 0.02 0.00 0.64 0.00 0.00 57.07 57.04 3iqf s TYR 70 Cb -0.16 -1.98 0.01 0.00 0.42 0.00 0.00 41.96 40.25 3iqf s TYR 70 CO 0.03 -0.25 -0.12 0.20 0.64 0.00 0.00 175.55 176.05 3iqf s GLY 71 N 0.74 0.78 0.00 8.97 0.00 0.48 -0.85 107.32 117.45 3iqf s GLY 71 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.27 3iqf s GLY 71 CO 0.02 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.80 3iqf n GLY 72 N 3.73 -1.57 3.69 0.20 0.00 -0.92 -2.52 105.19 107.79 3iqf n GLY 72 Ca -0.22 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.25 1.00 -3.47 1.61 -0.02 -1.26 -4.30 135.00 128.32 3iqf n PRO 73 Ca 0.00 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.50 3iqf n PRO 73 Cb 0.00 -2.41 0.04 0.00 -0.02 0.00 0.00 33.50 31.11 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 -1.59 -5.64 0.05 2.55 5.15 -1.26 -4.85 115.26 109.68 3iqf n ASN 74 Ca 0.15 -0.13 0.21 0.00 -0.60 0.00 0.00 54.58 54.21 3iqf n ASN 74 Cb 0.48 -1.87 0.63 0.00 -0.53 0.00 0.00 39.78 38.49 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 2.07 0.00 0.00 1.20 0.11 -1.88 -1.33 132.00 132.17 3iqf h PRO 75 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3iqf h PRO 75 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3iqf h PRO 75 CO 0.23 0.00 -0.34 0.00 -0.21 0.00 0.00 178.00 177.68 3iqf n ALA 76 N -2.20 2.63 -1.30 -0.75 0.00 -1.26 -3.52 120.51 114.11 3iqf n ALA 76 Ca 0.10 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 3iqf n ALA 76 Cb 0.87 -1.31 0.11 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.14 1.89 0.22 0.00 0.00 -0.50 -4.76 121.76 115.47 3iqf s ALA 77 Ca 0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 3iqf s ALA 77 Cb 0.13 -3.19 0.23 0.00 0.00 0.00 0.00 23.12 20.29 3iqf s ALA 77 CO 0.66 -2.05 1.85 -1.35 0.00 0.00 0.00 175.76 174.87 3iqf h PRO 78 N -1.33 0.86 0.58 0.00 0.11 -1.91 -0.28 132.00 130.03 3iqf h PRO 78 Ca -0.47 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3iqf h PRO 78 Cb 1.27 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 32.19 3iqf h PRO 78 CO 0.55 0.57 -0.28 0.78 -0.21 0.00 0.00 178.00 179.41 3iqf h GLY 79 N 0.89 -0.81 1.25 -0.55 0.00 -1.85 -2.58 103.07 99.42 3iqf h GLY 79 Ca 0.31 0.30 0.09 0.00 0.00 0.00 0.00 47.33 48.03 3iqf h GLY 79 CO -0.13 -0.29 0.30 -2.55 0.00 0.00 0.00 176.54 173.86 3iqf h PRO 80 N -1.02 0.18 -0.28 4.80 0.11 -1.74 -1.66 132.00 132.38 3iqf h PRO 80 Ca -0.08 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.94 3iqf h PRO 80 Cb 0.66 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 3iqf h PRO 80 CO 0.13 0.12 -0.17 0.77 -0.21 0.00 0.00 178.00 178.64 3iqf h SER 81 N 0.18 0.48 -0.58 -2.05 0.02 -0.90 -1.07 113.55 109.64 3iqf h SER 81 Ca 0.20 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 3iqf h SER 81 Cb 0.56 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3iqf h SER 81 CO -0.03 0.68 0.04 0.50 -1.14 0.00 0.00 176.83 176.88 3iqf h LYS 82 N 0.45 0.99 -0.40 3.45 1.63 -0.91 -1.53 116.57 120.25 3iqf h LYS 82 Ca 0.08 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 3iqf h LYS 82 Cb 0.56 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 3iqf h LYS 82 CO 0.04 0.96 0.26 0.00 -3.45 0.00 0.00 179.45 177.26 3iqf h ALA 83 N 0.99 0.50 -0.25 5.00 0.00 -1.03 -0.37 119.26 124.10 3iqf h ALA 83 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iqf h ALA 83 Cb 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iqf h ALA 83 CO 0.02 -0.04 0.16 0.00 0.00 0.00 0.00 179.25 179.39 3iqf h ARG 84 N 0.54 0.33 -0.11 0.00 3.08 -1.08 0.20 114.38 117.33 3iqf h ARG 84 Ca 0.15 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.19 3iqf h ARG 84 Cb -0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3iqf h ARG 84 CO -0.03 0.23 -0.03 1.49 -1.07 0.00 0.00 179.97 180.56 3iqf h GLU 85 N 0.32 -0.00 -0.28 0.04 4.81 -1.16 0.95 114.58 119.26 3iqf h GLU 85 Ca 0.09 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3iqf h GLU 85 Cb -0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3iqf h GLU 85 CO -0.02 -0.00 0.10 0.52 -0.73 0.00 0.00 179.01 178.88 3iqf h MET 86 N -0.00 0.42 -0.32 1.92 2.86 -0.80 -1.42 114.93 117.57 3iqf h MET 86 Ca 0.05 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3iqf h MET 86 Cb 0.09 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3iqf h MET 86 CO -0.12 0.45 -0.21 -0.07 1.06 0.00 0.00 176.91 178.03 3iqf h LEU 87 N 0.29 0.75 -0.92 1.22 3.38 -0.55 -2.01 115.31 117.47 3iqf h LEU 87 Ca 0.09 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3iqf h LEU 87 Cb 0.20 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3iqf h LEU 87 CO -0.01 1.02 0.60 0.00 0.09 0.00 0.00 178.44 180.15 3iqf h ALA 88 N 0.75 1.18 0.00 1.53 0.00 -0.75 -1.54 119.26 120.44 3iqf h ALA 88 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iqf h ALA 88 Cb 0.77 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iqf h ALA 88 CO 0.06 0.51 0.00 -0.44 0.00 0.00 0.00 179.25 179.38 3iqf h ASP 89 N 1.20 0.00 -4.54 0.00 3.32 -1.07 -3.45 116.42 111.88 3iqf h ASP 89 Ca 0.35 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.92 3iqf h ASP 89 Cb -0.08 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.57 3iqf h ASP 89 CO -0.09 0.00 0.40 -0.94 -1.72 0.00 0.00 179.24 176.88 3iqf s SER 90 N -4.51 4.60 0.00 6.45 1.04 -0.58 -4.97 113.70 115.73 3iqf s SER 90 Ca 0.06 0.89 0.30 0.00 0.48 0.00 0.00 55.95 57.69 3iqf s SER 90 Cb 0.10 -1.46 1.54 0.00 0.10 0.00 0.00 66.02 66.30 3iqf s SER 90 CO 0.48 -1.86 2.05 -1.84 0.98 0.00 0.00 173.24 173.05 3iqf n GLU 91 N -3.30 0.71 -3.42 4.02 0.28 -1.26 -4.85 120.64 112.81 3iqf n GLU 91 Ca 0.08 -0.10 -0.38 0.00 -0.16 0.00 0.00 57.16 56.61 3iqf n GLU 91 Cb 0.60 -1.50 -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 -2.36 3.43 0.30 -1.84 2.02 -1.26 -5.04 117.35 112.59 3iqf s TYR 92 Ca 0.35 0.66 -0.29 0.00 -0.37 0.00 0.00 57.07 57.42 3iqf s TYR 92 Cb 0.21 -2.47 -0.13 0.00 -0.40 0.00 0.00 41.96 39.16 3iqf s TYR 92 CO 0.43 0.10 1.24 -2.30 -1.57 0.00 0.00 175.55 173.46 3iqf n PRO 93 N 4.03 1.86 -3.90 -1.71 -0.02 -1.26 -4.79 135.00 129.22 3iqf n PRO 93 Ca -0.09 0.66 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 3iqf n PRO 93 Cb 0.51 -2.20 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 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 -0.79 -0.07 -0.07 3.55 0.00 -1.26 -0.73 121.76 122.39 3iqf s ALA 94 Ca 0.60 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.48 3iqf s ALA 94 Cb -0.63 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 3iqf s ALA 94 CO 0.58 -0.09 -0.22 0.08 0.00 0.00 0.00 175.76 176.12 3iqf s VAL 95 N -0.60 1.83 -0.28 0.00 1.01 -0.04 -0.92 120.40 121.39 3iqf s VAL 95 Ca -0.07 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 3iqf s VAL 95 Cb -0.04 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3iqf s VAL 95 CO -0.00 0.51 0.15 -0.63 0.00 0.00 0.00 175.10 175.13 3iqf s ILE 96 N 0.15 4.85 -0.23 2.22 -1.09 0.11 -1.44 121.20 125.77 3iqf s ILE 96 Ca -0.10 -0.09 -0.11 0.00 -2.23 0.00 0.00 60.65 58.11 3iqf s ILE 96 Cb -0.15 -3.35 -0.05 0.00 -1.58 0.00 0.00 42.46 37.34 3iqf s ILE 96 CO 0.05 0.22 0.20 -0.63 -1.23 0.00 0.00 174.94 173.56 3iqf s ILE 97 N 1.68 5.33 0.00 2.92 -1.09 -0.03 -1.01 121.20 129.00 3iqf s ILE 97 Ca 0.06 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 3iqf s ILE 97 Cb -0.16 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 3iqf s ILE 97 CO 0.08 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 3iqf n GLY 98 N 4.19 3.54 0.73 6.18 0.00 -0.44 -2.17 105.19 117.22 3iqf n GLY 98 Ca -0.14 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.28 2.12 -0.29 1.61 3.85 -1.26 -0.63 116.55 120.68 3iqf n ASP 99 Ca 0.00 -1.43 -0.02 0.00 -0.71 0.00 0.00 54.79 52.63 3iqf n ASP 99 Cb 0.00 0.06 0.10 0.00 -1.35 0.00 0.00 41.12 39.92 3iqf n ASP 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3iqf h ALA 100 N 1.00 1.04 -0.71 2.12 0.00 -1.81 -1.52 119.26 119.38 3iqf h ALA 100 Ca -0.08 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.00 3iqf h ALA 100 Cb 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3iqf h ALA 100 CO 0.13 0.31 0.54 -1.35 0.00 0.00 0.00 179.25 178.89 3iqf h PRO 101 N 0.98 0.00 -0.50 0.00 0.11 -1.96 -1.12 132.00 129.51 3iqf h PRO 101 Ca 0.32 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.57 3iqf h PRO 101 Cb 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3iqf h PRO 101 CO -0.11 0.00 0.48 0.78 -0.21 0.00 0.00 178.00 178.94 3iqf h GLY 102 N 0.00 0.00 1.18 -0.55 0.00 -1.62 -2.57 103.07 99.51 3iqf h GLY 102 Ca 0.33 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.78 3iqf h GLY 102 CO -0.00 0.00 0.30 1.41 0.00 0.00 0.00 176.54 178.25 3iqf h LEU 103 N 0.00 0.00 -1.99 3.11 3.38 -1.36 -0.86 115.31 117.59 3iqf h LEU 103 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3iqf h LEU 103 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3iqf h LEU 103 CO -0.00 0.00 -0.10 0.11 0.09 0.00 0.00 178.44 178.54 3iqf h LYS 104 N 0.00 0.00 -0.18 1.13 1.57 -1.68 -2.95 116.57 114.47 3iqf h LYS 104 Ca 0.18 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3iqf h LYS 104 Cb 0.79 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 3iqf h LYS 104 CO -0.00 0.10 -0.07 1.33 -0.57 0.00 0.00 179.45 180.24 3iqf n VAL 105 N -3.96 2.23 -0.06 0.50 0.24 -0.34 -4.78 118.33 112.16 3iqf n VAL 105 Ca -0.02 -2.33 -0.11 0.00 -2.04 0.00 0.00 64.34 59.84 3iqf n VAL 105 Cb 0.19 -0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 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 1.01 0.31 -0.51 7.34 3.64 -1.38 0.26 116.57 127.23 3iqf h LYS 106 Ca 0.05 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3iqf h LYS 106 Cb 1.32 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3iqf h LYS 106 CO 0.18 0.38 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.24 3iqf h ASP 107 N 0.18 0.89 -0.29 4.20 3.32 -1.86 -2.40 116.42 120.46 3iqf h ASP 107 Ca 0.07 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.88 3iqf h ASP 107 Cb 0.19 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3iqf h ASP 107 CO -0.01 0.98 0.14 -0.08 -1.72 0.00 0.00 179.24 178.56 3iqf h GLU 108 N 0.83 0.29 -0.96 3.56 4.81 -1.83 -0.53 114.58 120.74 3iqf h GLU 108 Ca 0.15 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 3iqf h GLU 108 Cb 0.56 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.81 3iqf h GLU 108 CO 0.03 0.19 0.61 0.52 -0.73 0.00 0.00 179.01 179.64 3iqf h MET 109 N 0.30 1.05 -0.55 1.92 2.86 -0.75 0.30 114.93 120.06 3iqf h MET 109 Ca 0.12 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3iqf h MET 109 Cb 0.04 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3iqf h MET 109 CO -0.09 0.70 0.03 0.93 1.06 0.00 0.00 176.91 179.54 3iqf h GLU 110 N 1.08 0.96 -0.10 1.72 5.08 -1.07 -1.13 114.58 121.12 3iqf h GLU 110 Ca 0.43 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 3iqf h GLU 110 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3iqf h GLU 110 CO -0.19 0.95 -0.38 1.49 -1.00 0.00 0.00 179.01 179.88 3iqf h GLU 111 N 0.85 0.22 0.00 2.33 4.81 -0.39 -2.38 114.58 120.01 3iqf h GLU 111 Ca 0.16 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3iqf h GLU 111 Cb 0.50 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3iqf h GLU 111 CO 0.02 0.57 0.00 1.04 -0.73 0.00 0.00 179.01 179.92 3iqf n GLN 112 N -4.05 0.24 -1.19 1.92 6.02 0.99 -4.90 117.38 116.40 3iqf n GLN 112 Ca -0.01 0.10 -0.02 0.00 -0.01 0.00 0.00 57.00 57.05 3iqf n GLN 112 Cb 0.45 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 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 0.56 0.53 3.90 1.08 0.00 -0.90 -4.74 105.19 105.62 3iqf n GLY 113 Ca 0.09 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.56 4.37 0.60 0.99 1.43 -0.47 -4.73 118.68 120.31 3iqf s LEU 114 Ca 0.00 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 3iqf s LEU 114 Cb 0.00 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 3iqf s LEU 114 CO 0.00 0.28 0.95 -0.83 0.23 0.00 0.00 176.35 176.98 3iqf s GLY 115 N -1.79 1.60 0.01 -3.19 0.00 -0.10 -4.39 107.32 99.46 3iqf s GLY 115 Ca 0.26 -0.40 -0.20 0.00 0.00 0.00 0.00 44.72 44.38 3iqf s GLY 115 CO 0.16 -0.13 0.44 -2.52 0.00 0.00 0.00 173.10 171.05 3iqf s TYR 116 N -3.06 -0.33 -0.21 1.90 1.13 0.05 0.05 117.35 116.89 3iqf s TYR 116 Ca 0.53 0.42 -0.03 0.00 -1.41 0.00 0.00 57.07 56.58 3iqf s TYR 116 Cb -0.11 0.23 0.07 0.00 -1.10 0.00 0.00 41.96 41.05 3iqf s TYR 116 CO 0.49 -0.54 0.06 0.42 -2.51 0.00 0.00 175.55 173.48 3iqf s ILE 117 N -1.94 0.34 -0.26 -3.49 1.01 -0.18 -1.36 121.20 115.32 3iqf s ILE 117 Ca -0.09 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 59.92 3iqf s ILE 117 Cb -0.02 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3iqf s ILE 117 CO 0.02 -0.32 0.12 -0.76 0.00 0.00 0.00 174.94 173.99 3iqf s LEU 118 N 1.93 3.67 -0.51 2.97 1.43 0.27 -1.32 118.68 127.11 3iqf s LEU 118 Ca 0.02 -0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 3iqf s LEU 118 Cb -0.17 -2.00 0.13 0.00 0.03 0.00 0.00 46.19 44.19 3iqf s LEU 118 CO -0.13 -0.04 0.36 -0.69 0.23 0.00 0.00 176.35 176.08 3iqf s VAL 119 N 1.66 3.93 0.29 -1.59 1.01 0.20 -0.59 120.40 125.31 3iqf s VAL 119 Ca 0.07 -2.18 -0.02 0.00 0.00 0.00 0.00 61.98 59.84 3iqf s VAL 119 Cb -0.15 -3.59 0.23 0.00 0.00 0.00 0.00 36.38 32.86 3iqf s VAL 119 CO 0.06 -0.79 1.92 0.11 0.00 0.00 0.00 175.10 176.40 3iqf h LYS 120 N 7.96 1.03 0.00 2.72 1.57 -1.49 -1.49 116.57 126.87 3iqf h LYS 120 Ca -0.12 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3iqf h LYS 120 Cb 1.04 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3iqf h LYS 120 CO 0.77 0.75 0.00 -2.30 -0.57 0.00 0.00 179.45 178.10 3iqf n PRO 121 N -4.36 0.48 -2.41 3.15 -0.02 -1.26 -4.36 135.00 126.23 3iqf n PRO 121 Ca 0.08 0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 61.15 3iqf n PRO 121 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 -1.05 4.77 -4.81 2.55 -0.08 -0.56 -4.34 116.55 113.02 3iqf n ASP 122 Ca 0.12 -2.95 -0.37 0.00 -1.51 0.00 0.00 54.79 50.08 3iqf n ASP 122 Cb 0.07 -1.64 -0.06 0.00 2.34 0.00 0.00 41.12 41.83 3iqf n ASP 122 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iqf s ALA 123 N 2.67 3.51 0.29 -1.67 0.00 -1.26 -4.73 121.76 120.57 3iqf s ALA 123 Ca 0.47 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 3iqf s ALA 123 Cb 0.06 -2.72 -0.13 0.00 0.00 0.00 0.00 23.12 20.33 3iqf s ALA 123 CO 0.01 0.37 1.37 -0.12 0.00 0.00 0.00 175.76 177.39 3iqf n MET 124 N 1.25 2.13 -2.20 0.00 1.56 -1.26 -4.91 117.12 113.70 3iqf n MET 124 Ca -0.06 0.75 -0.27 0.00 -0.27 0.00 0.00 57.70 57.85 3iqf n MET 124 Cb 0.51 -2.39 0.17 0.00 2.15 0.00 0.00 33.22 33.66 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 1.58 0.00 -4.06 -0.89 -0.00 -1.26 -4.49 117.00 107.87 3iqf n LEU 125 Ca 0.08 -1.75 -0.43 0.00 -0.00 0.00 0.00 56.01 53.91 3iqf n LEU 125 Cb 0.34 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 3iqf n LEU 125 CO 0.63 -1.24 1.91 0.61 -0.00 0.00 0.00 177.39 179.29 3iqf n GLY 126 N -3.25 4.19 2.57 1.47 0.00 -1.26 -4.84 105.19 104.06 3iqf n GLY 126 Ca 0.17 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 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 4.99 6.40 -3.06 4.61 0.00 -1.26 -4.25 120.51 127.94 3iqf n ALA 127 Ca 0.41 -3.85 -0.32 0.00 0.00 0.00 0.00 53.44 49.68 3iqf n ALA 127 Cb 0.39 -3.30 -0.16 0.00 0.00 0.00 0.00 19.45 16.38 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 1.87 3.07 0.45 0.00 1.81 -1.26 -4.97 118.95 119.93 3iqf s ARG 128 Ca 0.55 -0.80 0.21 0.00 -1.72 0.00 0.00 55.73 53.97 3iqf s ARG 128 Cb 0.15 -2.41 1.20 0.00 -0.45 0.00 0.00 34.95 33.44 3iqf s ARG 128 CO -0.07 0.25 1.87 -0.09 -0.68 0.00 0.00 175.30 176.58 3iqf h ARG 129 N 6.54 0.28 0.00 3.54 2.43 -1.89 0.25 114.38 125.52 3iqf h ARG 129 Ca -0.25 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3iqf h ARG 129 Cb 1.22 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3iqf h ARG 129 CO 0.50 0.18 0.00 0.93 -1.51 0.00 0.00 179.97 180.08 3iqf h GLU 130 N 0.29 0.00 0.00 0.20 3.07 -1.96 -3.36 114.58 112.82 3iqf h GLU 130 Ca 0.45 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.29 3iqf h GLU 130 Cb 1.28 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3iqf h GLU 130 CO -0.13 0.00 -1.07 0.34 -1.40 0.00 0.00 179.01 176.75 3iqf n PHE 131 N -2.45 0.00 -3.01 4.33 7.35 -0.31 -4.99 117.46 118.38 3iqf n PHE 131 Ca 0.02 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.27 3iqf n PHE 131 Cb 0.25 -0.05 -0.04 0.00 0.35 0.00 0.00 39.48 39.99 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 -5.84 5.00 0.56 -2.13 2.96 0.72 -4.86 118.68 115.09 3iqf s LEU 132 Ca -0.02 -1.26 0.08 0.00 -0.22 0.00 0.00 54.13 52.71 3iqf s LEU 132 Cb 0.01 -2.35 0.07 0.00 0.50 0.00 0.00 46.19 44.42 3iqf s LEU 132 CO 0.02 -1.25 0.65 1.51 -1.32 0.00 0.00 176.35 175.97 3iqf s ASP 133 N 3.65 4.95 0.21 3.68 -4.77 -1.26 -4.68 116.67 118.45 3iqf s ASP 133 Ca 0.16 -0.98 -0.09 0.00 -3.30 0.00 0.00 52.55 48.34 3iqf s ASP 133 Cb -0.21 0.32 0.28 0.00 -1.09 0.00 0.00 42.92 42.21 3iqf s ASP 133 CO 0.08 -1.25 1.78 -0.65 0.70 0.00 0.00 175.17 175.83 3iqf h PRO 134 N 0.39 0.55 0.07 2.11 0.11 -1.99 -0.73 132.00 132.51 3iqf h PRO 134 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3iqf h PRO 134 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3iqf h PRO 134 CO 0.47 0.36 -0.08 0.28 -0.21 0.00 0.00 178.00 178.82 3iqf h VAL 135 N 0.57 0.81 -0.56 3.15 2.07 -1.99 -0.49 116.25 119.82 3iqf h VAL 135 Ca 0.31 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.80 3iqf h VAL 135 Cb 0.30 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3iqf h VAL 135 CO -0.24 0.00 0.22 -0.08 0.02 0.00 0.00 177.57 177.48 3iqf h GLU 136 N -0.17 0.81 -0.36 1.57 4.57 -1.81 0.12 114.58 119.30 3iqf h GLU 136 Ca 0.01 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3iqf h GLU 136 Cb 0.17 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3iqf h GLU 136 CO -0.03 0.67 0.24 1.98 -1.18 0.00 0.00 179.01 180.69 3iqf h MET 137 N 0.80 0.48 -0.66 1.92 4.05 -0.86 -1.13 114.93 119.52 3iqf h MET 137 Ca 0.19 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 3iqf h MET 137 Cb 0.17 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 3iqf h MET 137 CO -0.02 0.32 0.31 0.00 0.23 0.00 0.00 176.91 177.76 3iqf h ALA 138 N 1.13 0.86 -0.58 0.39 0.00 -0.45 -2.29 119.26 118.31 3iqf h ALA 138 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3iqf h ALA 138 Cb -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3iqf h ALA 138 CO -0.03 0.43 0.28 0.82 0.00 0.00 0.00 179.25 180.75 3iqf h ILE 139 N 0.92 1.21 -0.42 0.00 2.04 -0.79 -0.12 117.51 120.35 3iqf h ILE 139 Ca 0.23 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3iqf h ILE 139 Cb 0.13 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3iqf h ILE 139 CO -0.03 0.24 0.26 0.22 0.00 0.00 0.00 178.15 178.84 3iqf h TYR 140 N 0.79 0.49 -0.32 1.37 3.20 -1.15 -1.75 116.97 119.59 3iqf h TYR 140 Ca 0.20 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3iqf h TYR 140 Cb 0.12 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3iqf h TYR 140 CO -0.00 0.29 0.03 -0.91 -1.64 0.00 0.00 178.16 175.93 3iqf h ASN 141 N 0.52 0.44 -0.25 -2.11 2.35 -0.89 0.98 115.58 116.62 3iqf h ASN 141 Ca 0.16 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3iqf h ASN 141 Cb -0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3iqf h ASN 141 CO -0.06 0.49 0.02 0.00 -1.65 0.00 0.00 177.43 176.23 3iqf h ALA 142 N 1.57 0.34 -0.33 -0.83 0.00 -0.40 0.11 119.26 119.73 3iqf h ALA 142 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3iqf h ALA 142 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3iqf h ALA 142 CO 0.00 0.05 0.13 -0.44 0.00 0.00 0.00 179.25 178.99 3iqf h ASP 143 N 0.23 0.45 -0.75 0.00 3.32 -0.94 -1.84 116.42 116.89 3iqf h ASP 143 Ca 0.07 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3iqf h ASP 143 Cb 0.37 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3iqf h ASP 143 CO 0.01 0.50 0.35 0.25 -1.72 0.00 0.00 179.24 178.62 3iqf h LEU 144 N 0.38 0.99 -0.84 1.55 5.85 -0.69 -0.84 115.31 121.71 3iqf h LEU 144 Ca 0.11 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3iqf h LEU 144 Cb 0.19 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3iqf h LEU 144 CO -0.01 0.86 0.31 -0.03 -0.34 0.00 0.00 178.44 179.23 3iqf h MET 145 N 1.06 1.17 -0.58 1.25 4.05 -0.65 -0.31 114.93 120.93 3iqf h MET 145 Ca 0.26 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3iqf h MET 145 Cb 0.14 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 3iqf h MET 145 CO -0.03 0.94 0.37 -0.22 0.23 0.00 0.00 176.91 178.21 3iqf h LYS 146 N 1.14 0.76 0.03 0.39 1.63 -0.93 -0.99 116.57 118.60 3iqf h LYS 146 Ca 0.26 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 3iqf h LYS 146 Cb 0.21 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3iqf h LYS 146 CO -0.02 0.51 -0.01 0.28 -3.45 0.00 0.00 179.45 176.76 3iqf h VAL 147 N 0.78 1.04 -0.07 2.00 2.07 -0.57 0.11 116.25 121.62 3iqf h VAL 147 Ca 0.21 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3iqf h VAL 147 Cb -0.08 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3iqf h VAL 147 CO -0.04 0.06 -0.30 -0.07 0.02 0.00 0.00 177.57 177.23 3iqf h LEU 148 N -0.14 0.12 0.01 2.57 3.38 -0.94 -2.17 115.31 118.14 3iqf h LEU 148 Ca -0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iqf h LEU 148 Cb 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3iqf h LEU 148 CO 0.01 0.43 -0.01 0.00 0.09 0.00 0.00 178.44 178.96 3iqf h ALA 149 N 1.58 -0.01 0.00 1.53 0.00 -1.04 -0.77 119.26 120.55 3iqf h ALA 149 Ca 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3iqf h ALA 149 Cb 0.60 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3iqf h ALA 149 CO 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 179.25 179.19 3iqf h ALA 150 N -0.78 1.03 -0.00 0.00 0.00 -0.82 -2.06 119.26 116.64 3iqf h ALA 150 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iqf h ALA 150 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iqf h ALA 150 CO 0.00 0.11 -0.06 0.25 0.00 0.00 0.00 179.25 179.55 3iqf n THR 151 N -3.24 0.00 -0.33 0.00 -2.24 -0.82 -4.74 114.28 102.90 3iqf n THR 151 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3iqf n THR 151 Cb 0.33 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 1.50 0.69 0.23 3.38 0.00 -0.78 -4.97 105.19 105.24 3iqf n GLY 152 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 0.91 0.00 1.61 2.07 -1.58 -1.56 116.25 117.70 3iqf h VAL 153 Ca 0.00 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 3iqf h VAL 153 Cb 0.00 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3iqf h VAL 153 CO 0.00 0.10 -0.17 -0.26 0.02 0.00 0.00 177.57 177.25 3iqf h PHE 154 N 0.53 0.00 -0.68 1.57 0.05 -1.42 -1.78 116.94 115.20 3iqf h PHE 154 Ca 0.27 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 61.98 3iqf h PHE 154 Cb 0.21 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.13 3iqf h PHE 154 CO -0.11 0.17 0.15 -0.09 -0.18 0.00 0.00 178.31 178.25 3iqf h ARG 155 N 0.00 1.10 -0.45 1.51 2.43 -1.58 0.61 114.38 118.00 3iqf h ARG 155 Ca -0.00 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 58.94 3iqf h ARG 155 Cb 0.33 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3iqf h ARG 155 CO 0.02 0.98 0.22 0.28 -1.51 0.00 0.00 179.97 179.97 3iqf h VAL 156 N 1.04 0.95 -0.29 0.20 2.07 -0.91 0.17 116.25 119.48 3iqf h VAL 156 Ca 0.21 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 3iqf h VAL 156 Cb 0.39 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3iqf h VAL 156 CO 0.01 0.08 -0.13 0.58 0.02 0.00 0.00 177.57 178.12 3iqf h VAL 157 N 0.44 1.29 -0.55 2.57 2.07 -1.31 -1.83 116.25 118.93 3iqf h VAL 157 Ca 0.20 -1.22 0.10 0.00 0.82 0.00 0.00 66.70 66.60 3iqf h VAL 157 Cb 0.12 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 3iqf h VAL 157 CO -0.15 0.39 0.10 -0.61 0.02 0.00 0.00 177.57 177.33 3iqf h GLN 158 N 0.35 0.23 -0.45 1.57 4.15 -0.65 -1.98 115.11 118.32 3iqf h GLN 158 Ca 0.07 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 3iqf h GLN 158 Cb 0.65 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 3iqf h GLN 158 CO 0.04 0.15 -0.15 0.93 -1.93 0.00 0.00 178.83 177.88 3iqf h GLU 159 N 0.24 0.85 -0.02 1.69 5.08 -0.73 -1.26 114.58 120.44 3iqf h GLU 159 Ca 0.28 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3iqf h GLU 159 Cb 0.40 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3iqf h GLU 159 CO -0.37 0.94 0.00 0.00 -1.00 0.00 0.00 179.01 178.59 3iqf h ALA 160 N 1.07 0.02 -0.61 3.43 0.00 -0.89 -1.72 119.26 120.57 3iqf h ALA 160 Ca 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3iqf h ALA 160 Cb 0.66 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3iqf h ALA 160 CO 0.05 -0.36 0.17 0.74 0.00 0.00 0.00 179.25 179.85 3iqf h PHE 161 N -0.20 0.96 -0.44 0.00 -1.00 -1.33 -1.71 116.94 113.21 3iqf h PHE 161 Ca 0.01 -0.09 -0.08 0.00 2.81 0.00 0.00 57.97 60.62 3iqf h PHE 161 Cb 0.23 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 3iqf h PHE 161 CO 0.00 0.78 -0.05 -0.44 -1.61 0.00 0.00 178.31 176.99 3iqf h ASP 162 N 0.90 0.72 -0.19 2.17 3.45 -1.09 0.12 116.42 122.50 3iqf h ASP 162 Ca 0.20 -0.19 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 3iqf h ASP 162 Cb 0.28 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 3iqf h ASP 162 CO -0.01 0.82 0.11 -0.33 -1.57 0.00 0.00 179.24 178.27 3iqf h GLU 163 N 0.69 0.27 -0.75 3.56 5.08 -1.01 -1.57 114.58 120.85 3iqf h GLU 163 Ca 0.13 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3iqf h GLU 163 Cb 0.50 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3iqf h GLU 163 CO 0.03 0.25 0.47 1.25 -1.00 0.00 0.00 179.01 180.01 3iqf h LEU 164 N 0.21 0.76 -0.65 1.33 5.85 -0.89 -2.22 115.31 119.71 3iqf h LEU 164 Ca 0.07 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3iqf h LEU 164 Cb 0.06 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3iqf h LEU 164 CO -0.01 0.52 0.26 0.40 -0.34 0.00 0.00 178.44 179.27 3iqf h ILE 165 N 0.90 1.24 -0.51 4.05 2.04 -0.52 0.12 117.51 124.82 3iqf h ILE 165 Ca 0.30 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.47 3iqf h ILE 165 Cb 0.04 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 3iqf h ILE 165 CO -0.12 0.29 0.28 -0.33 0.00 0.00 0.00 178.15 178.27 3iqf h GLU 166 N 0.91 0.54 -0.74 2.37 4.39 -0.84 -2.16 114.58 119.04 3iqf h GLU 166 Ca 0.22 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 3iqf h GLU 166 Cb 0.20 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 3iqf h GLU 166 CO -0.02 0.36 0.37 0.87 -1.16 0.00 0.00 179.01 179.42 3iqf h LYS 167 N 0.55 1.06 0.00 2.33 1.79 -0.87 -1.63 116.57 119.79 3iqf h LYS 167 Ca 0.22 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 3iqf h LYS 167 Cb 0.09 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 3iqf h LYS 167 CO -0.13 0.81 -0.09 0.00 -1.08 0.00 0.00 179.45 178.96 3iqf h ALA 168 N 1.35 1.59 0.00 3.86 0.00 -0.45 -2.57 119.26 123.04 3iqf h ALA 168 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iqf h ALA 168 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iqf h ALA 168 CO -0.03 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.96 3iqf n LYS 169 N -4.05 0.04 -3.53 0.00 5.02 -0.62 -2.82 118.16 112.21 3iqf n LYS 169 Ca -0.03 0.15 -0.27 0.00 -2.02 0.00 0.00 58.31 56.14 3iqf n LYS 169 Cb 0.18 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.47 2.40 0.00 1.97 0.00 -0.97 -4.69 120.64 117.88 3iqf n GLU 170 Ca 0.05 -4.64 0.00 0.00 0.00 0.00 0.00 57.16 52.58 3iqf n GLU 170 Cb 0.22 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.40 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 1.10 0.00 -3.38 -1.84 4.64 -1.13 -4.53 116.55 111.41 3iqf n ASP 171 Ca 0.28 0.00 -0.37 0.00 -1.38 0.00 0.00 54.79 53.32 3iqf n ASP 171 Cb 0.40 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.45 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 3.21 -2.33 -0.67 4.71 -1.26 -4.81 120.64 119.50 3iqf n GLU 172 Ca 0.00 -2.15 -0.41 0.00 -0.01 0.00 0.00 57.16 54.59 3iqf n GLU 172 Cb 0.00 -2.84 -0.03 0.00 -1.01 0.00 0.00 31.44 27.56 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 2.67 3.67 0.46 -3.67 1.01 -1.26 -4.85 121.20 119.23 3iqf s ILE 173 Ca 0.61 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.79 3iqf s ILE 173 Cb 0.16 -4.38 0.01 0.00 0.01 0.00 0.00 42.46 38.25 3iqf s ILE 173 CO -0.05 -1.21 0.66 -0.94 0.00 0.00 0.00 174.94 173.40 3iqf s SER 174 N 5.17 5.68 0.34 3.58 1.04 -1.26 -4.92 113.70 123.33 3iqf s SER 174 Ca 0.54 0.08 0.06 0.00 0.48 0.00 0.00 55.95 57.10 3iqf s SER 174 Cb -0.11 -1.23 0.71 0.00 0.10 0.00 0.00 66.02 65.49 3iqf s SER 174 CO 0.23 -0.79 1.91 -0.33 0.98 0.00 0.00 173.24 175.23 3iqf h GLU 175 N 0.40 0.78 0.00 4.02 5.08 -1.94 -1.19 114.58 121.73 3iqf h GLU 175 Ca -0.44 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3iqf h GLU 175 Cb 1.27 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3iqf h GLU 175 CO 0.54 0.52 0.00 0.09 -1.00 0.00 0.00 179.01 179.16 3iqf n ASN 176 N -4.52 0.66 0.01 1.42 3.02 -1.26 -1.84 115.26 112.75 3iqf n ASN 176 Ca 0.14 0.70 0.12 0.00 -0.03 0.00 0.00 54.58 55.50 3iqf n ASN 176 Cb 0.31 -0.82 0.18 0.00 -0.61 0.00 0.00 39.78 38.84 3iqf n ASN 176 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3iqf n ASP 177 N -2.27 0.58 -4.74 6.41 10.43 -0.46 -4.93 116.55 121.58 3iqf n ASP 177 Ca 0.01 -0.31 -0.41 0.00 2.57 0.00 0.00 54.79 56.65 3iqf n ASP 177 Cb 0.18 0.38 -0.03 0.00 1.84 0.00 0.00 41.12 43.49 3iqf n ASP 177 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iqf s LEU 178 N -3.16 4.46 0.50 0.64 1.43 -0.77 -4.80 118.68 116.98 3iqf s LEU 178 Ca 0.10 2.27 -0.22 0.00 -1.03 0.00 0.00 54.13 55.24 3iqf s LEU 178 Cb 0.17 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 3iqf s LEU 178 CO 0.73 -0.35 1.25 -2.16 0.23 0.00 0.00 176.35 176.05 3iqf s PRO 179 N -0.48 3.48 -0.49 1.29 0.04 -1.26 -4.86 135.00 132.73 3iqf s PRO 179 Ca 0.52 1.98 0.05 0.00 0.04 0.00 0.00 61.00 63.59 3iqf s PRO 179 Cb -0.33 -2.34 0.19 0.00 0.04 0.00 0.00 34.50 32.06 3iqf s PRO 179 CO 0.38 -0.84 0.44 1.63 0.04 0.00 0.00 177.00 178.65 3iqf n LYS 180 N -0.72 0.80 -4.76 4.56 5.02 -1.23 -0.77 118.16 121.06 3iqf n LYS 180 Ca 0.09 -3.57 -0.33 0.00 -2.02 0.00 0.00 58.31 52.48 3iqf n LYS 180 Cb 0.47 -1.77 -0.12 0.00 -0.02 0.00 0.00 35.03 33.59 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 -0.67 2.85 -0.15 -0.35 1.43 -0.46 -4.99 118.68 116.34 3iqf s LEU 181 Ca 0.32 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3iqf s LEU 181 Cb 0.05 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.69 3iqf s LEU 181 CO -0.16 0.33 -0.13 -0.69 0.23 0.00 0.00 176.35 175.93 3iqf s VAL 182 N -0.81 1.49 -0.17 -1.59 1.01 -1.26 -0.56 120.40 118.51 3iqf s VAL 182 Ca 0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3iqf s VAL 182 Cb -0.11 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3iqf s VAL 182 CO 0.02 0.41 -0.05 -0.63 0.00 0.00 0.00 175.10 174.85 3iqf s ILE 183 N 1.51 3.62 0.03 2.22 1.01 0.25 -4.92 121.20 124.93 3iqf s ILE 183 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 3iqf s ILE 183 Cb -0.13 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.75 3iqf s ILE 183 CO -0.10 0.48 0.05 -0.90 0.00 0.00 0.00 174.94 174.47 3iqf n ASP 184 N 3.88 -0.14 -0.26 3.58 5.68 -1.26 -1.30 116.55 126.72 3iqf n ASP 184 Ca -0.18 -1.18 0.07 0.00 -0.50 0.00 0.00 54.79 53.01 3iqf n ASP 184 Cb 0.52 0.26 0.20 0.00 -1.14 0.00 0.00 41.12 40.96 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 0.20 0.00 0.11 2.43 -1.88 -0.92 114.38 114.32 3iqf h ARG 185 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3iqf h ARG 185 Cb 0.11 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3iqf h ARG 185 CO 0.04 0.13 0.00 -0.91 -1.51 0.00 0.00 179.97 177.72 3iqf h ASN 186 N 0.21 0.00 -0.58 -3.80 2.35 -1.96 -2.90 115.58 108.89 3iqf h ASN 186 Ca 0.45 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 56.31 3iqf h ASN 186 Cb 0.81 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 3iqf h ASN 186 CO -0.59 0.00 0.40 0.74 -1.65 0.00 0.00 177.43 176.33 3iqf h THR 187 N 0.00 0.84 0.00 2.81 2.02 -1.52 -1.18 112.91 115.89 3iqf h THR 187 Ca 0.00 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3iqf h THR 187 Cb 0.35 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3iqf h THR 187 CO 0.00 0.05 -0.16 -0.07 0.37 0.00 0.00 175.52 175.71 3iqf h LEU 188 N 0.29 0.00 -1.52 2.58 3.38 -1.67 -2.33 115.31 116.02 3iqf h LEU 188 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3iqf h LEU 188 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3iqf h LEU 188 CO -0.06 0.16 0.00 -0.07 0.09 0.00 0.00 178.44 178.56 3iqf h LEU 189 N 0.00 0.00 -2.72 1.67 3.38 -1.42 -2.34 115.31 113.88 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 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3iqf h LEU 189 CO 0.02 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 3iqf n GLU 190 N -2.74 2.71 -4.49 1.13 1.02 -0.88 -4.98 120.64 112.42 3iqf n GLU 190 Ca 0.00 -2.44 -0.30 0.00 -0.02 0.00 0.00 57.16 54.41 3iqf n GLU 190 Cb 0.21 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.04 2.16 -0.25 3.49 0.52 -0.88 -5.06 118.95 117.89 3iqf s ARG 191 Ca 0.40 -2.19 0.14 0.00 -0.52 0.00 0.00 55.73 53.56 3iqf s ARG 191 Cb 0.21 -1.72 0.47 0.00 0.52 0.00 0.00 34.95 34.43 3iqf s ARG 191 CO 0.28 -0.30 1.17 -1.91 0.02 0.00 0.00 175.30 174.56 3iqf n GLU 192 N -1.28 2.52 -0.10 3.54 2.13 -1.26 -4.88 120.64 121.30 3iqf n GLU 192 Ca -0.11 -3.69 -0.09 0.00 0.66 0.00 0.00 57.16 53.93 3iqf n GLU 192 Cb 0.66 -1.82 -0.02 0.00 0.27 0.00 0.00 31.44 30.54 3iqf n GLU 192 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3iqf h GLU 193 N 2.05 0.46 -5.11 5.31 4.57 -1.97 -3.43 114.58 116.46 3iqf h GLU 193 Ca 0.13 -0.05 -0.64 0.00 -1.18 0.00 0.00 59.36 57.62 3iqf h GLU 193 Cb 1.42 -0.09 -0.21 0.00 -0.16 0.00 0.00 28.75 29.71 3iqf h GLU 193 CO 0.44 0.38 -0.62 -0.06 -1.18 0.00 0.00 179.01 177.97 3iqf s PHE 194 N -5.88 3.11 0.24 0.92 0.08 -1.26 -4.61 117.98 110.58 3iqf s PHE 194 Ca -0.13 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.62 3iqf s PHE 194 Cb 0.09 -2.13 0.26 0.00 -0.57 0.00 0.00 43.02 40.67 3iqf s PHE 194 CO 0.72 -0.16 1.67 1.49 -0.10 0.00 0.00 175.22 178.85 3iqf h GLU 195 N 7.50 0.71 -5.40 0.44 4.22 -1.83 -3.43 114.58 116.79 3iqf h GLU 195 Ca -0.36 -0.27 -0.60 0.00 0.08 0.00 0.00 59.36 58.21 3iqf h GLU 195 Cb 1.18 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 3iqf h GLU 195 CO 0.62 0.85 -0.32 1.21 -2.18 0.00 0.00 179.01 179.19 3iqf s ASN 196 N -6.75 6.37 0.31 1.04 2.47 -1.26 -5.00 114.94 112.13 3iqf s ASN 196 Ca -0.09 0.43 0.04 0.00 0.42 0.00 0.00 52.86 53.67 3iqf s ASN 196 Cb 0.13 -2.18 0.52 0.00 -1.45 0.00 0.00 41.25 38.27 3iqf s ASN 196 CO 0.82 0.04 1.79 1.55 -3.72 0.00 0.00 177.10 177.59 3iqf h PRO 197 N 7.02 0.45 -0.21 0.43 0.13 -2.00 -2.20 132.00 135.62 3iqf h PRO 197 Ca -0.39 -0.14 -0.10 0.00 -0.87 0.00 0.00 66.00 64.50 3iqf h PRO 197 Cb 1.16 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3iqf h PRO 197 CO 0.73 0.61 -0.30 1.88 -0.23 0.00 0.00 178.00 180.69 3iqf h TYR 198 N 0.41 0.48 -0.52 1.56 0.05 -1.98 -0.78 116.97 116.19 3iqf h TYR 198 Ca 0.07 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.77 3iqf h TYR 198 Cb 0.54 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.13 3iqf h TYR 198 CO 0.02 0.68 0.29 0.00 -1.05 0.00 0.00 178.16 178.10 3iqf h ALA 199 N 1.32 0.66 -0.27 3.88 0.00 -1.77 -0.27 119.26 122.81 3iqf h ALA 199 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iqf h ALA 199 Cb 0.72 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3iqf h ALA 199 CO 0.05 -0.02 0.14 1.98 0.00 0.00 0.00 179.25 181.41 3iqf h MET 200 N 0.58 0.38 0.00 0.00 1.85 -1.01 -1.42 114.93 115.31 3iqf h MET 200 Ca 0.22 -0.05 -0.11 0.00 -0.61 0.00 0.00 59.70 59.14 3iqf h MET 200 Cb 0.06 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.00 3iqf h MET 200 CO -0.12 0.35 -0.54 -0.39 -0.40 0.00 0.00 176.91 175.81 3iqf h VAL 201 N 0.32 1.38 -0.60 -5.77 -1.51 -0.90 -0.00 116.25 109.16 3iqf h VAL 201 Ca 0.10 -1.87 -0.05 0.00 -1.23 0.00 0.00 66.70 63.64 3iqf h VAL 201 Cb 0.08 2.01 -0.03 0.00 -2.13 0.00 0.00 31.29 31.23 3iqf h VAL 201 CO -0.01 0.53 0.18 0.11 -1.23 0.00 0.00 177.57 177.15 3iqf h LYS 202 N 0.00 0.94 -0.55 5.19 1.57 -0.97 -0.90 116.57 121.85 3iqf h LYS 202 Ca -0.01 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 3iqf h LYS 202 Cb 0.97 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 3iqf h LYS 202 CO 0.07 0.84 -0.00 0.00 -0.57 0.00 0.00 179.45 179.79 3iqf h ALA 203 N 1.06 0.95 -0.44 3.86 0.00 -0.98 -0.39 119.26 123.32 3iqf h ALA 203 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iqf h ALA 203 Cb 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3iqf h ALA 203 CO -0.01 0.63 0.26 0.52 0.00 0.00 0.00 179.25 180.66 3iqf h MET 204 N 0.87 0.60 -0.56 0.00 2.86 -0.85 -0.97 114.93 116.88 3iqf h MET 204 Ca 0.16 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3iqf h MET 204 Cb 0.52 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 3iqf h MET 204 CO 0.03 0.45 0.30 0.00 1.06 0.00 0.00 176.91 178.75 3iqf h ALA 205 N 1.12 0.73 -0.72 6.32 0.00 -0.89 0.32 119.26 126.14 3iqf h ALA 205 Ca 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3iqf h ALA 205 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3iqf h ALA 205 CO -0.03 -0.02 0.45 0.00 0.00 0.00 0.00 179.25 179.65 3iqf h ALA 206 N 1.29 0.92 -0.08 0.00 0.00 -0.77 -0.99 119.26 119.63 3iqf h ALA 206 Ca 0.25 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3iqf h ALA 206 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3iqf h ALA 206 CO -0.15 0.38 -0.43 -0.07 0.00 0.00 0.00 179.25 178.97 3iqf h LEU 207 N 0.98 0.20 -0.13 0.00 3.38 -0.59 -1.11 115.31 118.03 3iqf h LEU 207 Ca 0.26 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3iqf h LEU 207 Cb -0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3iqf h LEU 207 CO -0.05 0.61 -0.10 -0.08 0.09 0.00 0.00 178.44 178.91 3iqf h GLU 208 N 0.16 0.30 -0.40 1.13 4.57 -0.70 -0.56 114.58 119.08 3iqf h GLU 208 Ca 0.01 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3iqf h GLU 208 Cb 0.83 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 3iqf h GLU 208 CO 0.06 0.67 0.23 0.82 -1.18 0.00 0.00 179.01 179.61 3iqf h ILE 209 N -0.07 1.14 -0.70 2.32 2.04 -1.08 0.11 117.51 121.28 3iqf h ILE 209 Ca 0.03 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3iqf h ILE 209 Cb 0.59 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3iqf h ILE 209 CO 0.03 0.14 0.46 0.00 0.00 0.00 0.00 178.15 178.78 3iqf h ALA 210 N 1.10 0.89 -0.97 1.87 0.00 -1.18 -0.63 119.26 120.33 3iqf h ALA 210 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iqf h ALA 210 Cb 0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 3iqf h ALA 210 CO -0.03 0.30 0.62 1.49 0.00 0.00 0.00 179.25 181.64 3iqf h GLU 211 N 0.94 1.30 0.00 0.00 4.81 -0.82 -2.74 114.58 118.06 3iqf h GLU 211 Ca 0.26 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3iqf h GLU 211 Cb -0.10 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 28.99 3iqf h GLU 211 CO -0.06 0.88 -0.26 -0.91 -0.73 0.00 0.00 179.01 177.92 3iqf h ASN 212 N 1.33 0.00 -1.00 1.04 2.35 0.34 -3.00 115.58 116.64 3iqf h ASN 212 Ca 0.35 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 56.26 3iqf h ASN 212 Cb -0.12 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.16 3iqf h ASN 212 CO -0.07 0.26 0.62 0.58 -1.65 0.00 0.00 177.43 177.17 3iqf h VAL 213 N 0.00 0.80 -0.43 2.81 2.07 -0.85 -2.66 116.25 117.99 3iqf h VAL 213 Ca -0.00 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.30 3iqf h VAL 213 Cb 0.56 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 3iqf h VAL 213 CO 0.03 0.15 0.04 0.00 0.02 0.00 0.00 177.57 177.82 3iqf h ALA 214 N 1.60 0.44 -0.26 1.67 0.00 -1.61 0.37 119.26 121.46 3iqf h ALA 214 Ca 0.53 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.47 3iqf h ALA 214 Cb 0.73 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3iqf h ALA 214 CO -0.32 -0.35 -0.19 -0.44 0.00 0.00 0.00 179.25 177.95 3iqf h ASP 215 N 0.16 0.45 -0.19 0.00 3.45 -1.65 0.32 116.42 118.97 3iqf h ASP 215 Ca 0.21 -0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.46 3iqf h ASP 215 Cb 0.29 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3iqf h ASP 215 CO -0.32 0.66 -0.19 0.58 -1.57 0.00 0.00 179.24 178.40 3iqf h VAL 216 N 0.42 1.33 -0.50 -1.35 2.07 -1.25 -1.71 116.25 115.26 3iqf h VAL 216 Ca 0.07 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.27 3iqf h VAL 216 Cb 0.57 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 3iqf h VAL 216 CO 0.04 0.41 0.30 0.28 0.02 0.00 0.00 177.57 178.61 3iqf h SER 217 N 0.14 0.48 -0.46 0.57 0.02 -0.59 -0.38 113.55 113.33 3iqf h SER 217 Ca 0.03 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3iqf h SER 217 Cb 0.73 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 3iqf h SER 217 CO 0.05 0.34 0.29 0.58 -1.14 0.00 0.00 176.83 176.94 3iqf h VAL 218 N 0.59 1.08 -0.15 2.27 2.07 -0.94 0.28 116.25 121.45 3iqf h VAL 218 Ca 0.20 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3iqf h VAL 218 Cb 0.02 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3iqf h VAL 218 CO -0.09 0.11 0.07 -0.08 0.02 0.00 0.00 177.57 177.60 3iqf h GLU 219 N 0.59 0.15 -0.18 1.57 4.81 -0.96 0.20 114.58 120.76 3iqf h GLU 219 Ca 0.18 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3iqf h GLU 219 Cb -0.03 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3iqf h GLU 219 CO -0.06 0.10 -0.30 0.78 -0.73 0.00 0.00 179.01 178.80 3iqf h GLY 220 N 0.16 0.38 1.02 1.92 0.00 -0.68 0.12 103.07 105.98 3iqf h GLY 220 Ca 0.06 -0.32 -0.32 0.00 0.00 0.00 0.00 47.33 46.75 3iqf h GLY 220 CO -0.04 0.29 -1.69 0.00 0.00 0.00 0.00 176.54 175.10 3iqf n PHE 222 N -3.36 0.00 -0.03 0.00 3.72 0.68 -4.90 117.46 113.57 3iqf n PHE 222 Ca -0.20 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.12 3iqf n PHE 222 Cb 1.05 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.56 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 -1.14 0.95 -2.29 -4.37 0.31 -0.82 -4.98 118.33 105.98 3iqf n VAL 223 Ca 0.00 0.08 -0.42 0.00 -0.01 0.00 0.00 64.34 64.00 3iqf n VAL 223 Cb 0.00 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.14 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 -2.26 4.39 -0.00 5.55 2.56 -0.03 -4.91 118.70 123.99 3iqf s GLU 224 Ca -0.13 1.93 0.08 0.00 0.00 0.00 0.00 54.97 56.86 3iqf s GLU 224 Cb 0.04 -3.28 -0.10 0.00 2.00 0.00 0.00 34.13 32.79 3iqf s GLU 224 CO 0.17 -0.31 0.29 1.04 -0.56 0.00 0.00 175.26 175.89 3iqf n GLN 225 N 3.67 3.17 -3.23 4.30 1.13 -1.26 -4.74 117.38 120.43 3iqf n GLN 225 Ca 0.09 -0.02 -0.40 0.00 -1.94 0.00 0.00 57.00 54.73 3iqf n GLN 225 Cb 0.44 -0.97 -0.08 0.00 0.11 0.00 0.00 30.24 29.75 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 -2.10 6.40 0.48 1.08 3.68 -1.26 -4.95 116.67 120.00 3iqf s ASP 226 Ca 0.01 0.34 0.15 0.00 2.13 0.00 0.00 52.55 55.18 3iqf s ASP 226 Cb 0.06 -2.28 1.12 0.00 -1.45 0.00 0.00 42.92 40.37 3iqf s ASP 226 CO 0.33 -0.37 2.07 0.07 0.13 0.00 0.00 175.17 177.40 3iqf h LYS 227 N 8.18 0.02 0.00 4.34 2.10 -1.97 0.28 116.57 129.52 3iqf h LYS 227 Ca -0.28 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.35 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 0.10 -0.05 0.93 -2.00 0.00 0.00 179.45 179.17 3iqf h GLU 228 N 0.02 0.00 0.00 0.07 5.08 -2.01 -2.05 114.58 115.69 3iqf h GLU 228 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 3iqf h GLU 228 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3iqf h GLU 228 CO 0.01 0.05 -2.35 0.54 -1.00 0.00 0.00 179.01 176.27 3iqf n ARG 229 N -3.47 0.60 0.15 2.33 1.74 0.05 -4.58 116.66 113.48 3iqf n ARG 229 Ca -0.02 0.29 0.02 0.00 -0.77 0.00 0.00 57.85 57.37 3iqf n ARG 229 Cb 0.17 -1.54 0.35 0.00 -1.02 0.00 0.00 32.46 30.42 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 -0.86 0.13 0.30 -1.55 -0.00 -0.46 -1.68 116.97 112.85 3iqf h TYR 230 Ca -0.64 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 58.06 3iqf h TYR 230 Cb 1.62 -0.03 0.00 0.00 -0.00 0.00 0.00 36.73 38.32 3iqf h TYR 230 CO -0.04 0.41 -0.14 0.28 -0.00 0.00 0.00 178.16 178.66 3iqf h VAL 231 N 0.11 0.72 -0.80 -0.90 2.07 -1.62 -0.78 116.25 115.05 3iqf h VAL 231 Ca 0.01 -0.52 0.14 0.00 0.82 0.00 0.00 66.70 67.15 3iqf h VAL 231 Cb 0.59 1.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.26 3iqf h VAL 231 CO 0.04 0.10 0.37 -0.65 0.02 0.00 0.00 177.57 177.45 3iqf h PRO 232 N -0.69 0.51 0.21 1.57 0.11 -1.77 -1.46 132.00 130.47 3iqf h PRO 232 Ca -0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3iqf h PRO 232 Cb 0.48 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3iqf h PRO 232 CO 0.07 0.34 -0.22 0.82 -0.21 0.00 0.00 178.00 178.79 3iqf h ILE 233 N 0.53 0.51 -0.34 4.15 2.04 -1.04 -0.08 117.51 123.28 3iqf h ILE 233 Ca 0.44 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.24 3iqf h ILE 233 Cb 0.64 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3iqf h ILE 233 CO -0.38 0.00 -0.01 -0.37 0.00 0.00 0.00 178.15 177.39 3iqf h VAL 234 N -0.47 1.20 -0.47 1.67 -1.51 -0.99 -2.23 116.25 113.46 3iqf h VAL 234 Ca 0.00 -0.81 -0.09 0.00 -1.23 0.00 0.00 66.70 64.57 3iqf h VAL 234 Cb 0.45 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.55 3iqf h VAL 234 CO -0.06 0.27 -0.09 0.00 -1.23 0.00 0.00 177.57 176.47 3iqf h ALA 235 N 1.49 0.97 -0.70 5.19 0.00 -0.91 -2.52 119.26 122.78 3iqf h ALA 235 Ca 0.11 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3iqf h ALA 235 Cb 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3iqf h ALA 235 CO 0.01 0.61 0.46 0.66 0.00 0.00 0.00 179.25 181.00 3iqf h SER 236 N 0.76 0.78 -1.00 0.00 4.64 -0.44 -1.82 113.55 116.47 3iqf h SER 236 Ca 0.13 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 3iqf h SER 236 Cb 0.58 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 62.42 3iqf h SER 236 CO 0.04 0.56 0.66 0.00 -0.87 0.00 0.00 176.83 177.21 3iqf h ALA 237 N 1.57 1.33 -0.10 5.18 0.00 -1.01 -1.58 119.26 124.66 3iqf h ALA 237 Ca 0.26 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3iqf h ALA 237 Cb -0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3iqf h ALA 237 CO -0.06 0.58 -0.64 0.45 0.00 0.00 0.00 179.25 179.58 3iqf h HIS 238 N 1.29 0.47 -0.42 0.00 3.86 -1.19 -2.28 115.15 116.88 3iqf h HIS 238 Ca 0.39 -0.19 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 3iqf h HIS 238 Cb -0.03 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3iqf h HIS 238 CO -0.00 0.89 -0.06 0.93 0.86 0.00 0.00 177.93 180.55 3iqf h GLU 239 N 0.26 0.71 -0.32 2.45 4.39 -0.90 -1.56 114.58 119.61 3iqf h GLU 239 Ca -0.01 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 3iqf h GLU 239 Cb 1.17 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 3iqf h GLU 239 CO 0.11 0.76 0.19 0.52 -1.16 0.00 0.00 179.01 179.43 3iqf h MET 240 N 0.65 0.44 -0.85 2.33 2.86 -1.11 -2.50 114.93 116.75 3iqf h MET 240 Ca 0.12 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3iqf h MET 240 Cb 0.50 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 3iqf h MET 240 CO 0.03 0.35 0.44 1.98 1.06 0.00 0.00 176.91 180.76 3iqf h MET 241 N 0.41 1.20 -0.76 1.72 1.85 -1.12 0.82 114.93 119.06 3iqf h MET 241 Ca 0.11 -0.15 0.08 0.00 -0.61 0.00 0.00 59.70 59.13 3iqf h MET 241 Cb 0.03 -0.23 -0.07 0.00 0.43 0.00 0.00 31.60 31.76 3iqf h MET 241 CO -0.02 0.90 0.42 -0.09 -0.40 0.00 0.00 176.91 177.72 3iqf h ARG 242 N 1.20 0.71 -0.06 0.39 2.43 -1.05 -1.46 114.38 116.55 3iqf h ARG 242 Ca 0.30 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.24 3iqf h ARG 242 Cb 0.07 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3iqf h ARG 242 CO -0.04 0.47 -0.76 0.87 -1.51 0.00 0.00 179.97 179.00 3iqf h LYS 243 N 0.73 0.36 -0.73 0.20 1.79 -0.92 -2.27 116.57 115.73 3iqf h LYS 243 Ca 0.36 -0.31 0.10 0.00 -2.18 0.00 0.00 60.65 58.61 3iqf h LYS 243 Cb 0.31 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.95 3iqf h LYS 243 CO -0.23 0.96 0.37 0.00 -1.08 0.00 0.00 179.45 179.47 3iqf h ALA 244 N 0.94 1.01 -0.70 3.86 0.00 -0.51 -0.65 119.26 123.21 3iqf h ALA 244 Ca -0.04 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3iqf h ALA 244 Cb 1.34 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3iqf h ALA 244 CO 0.13 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.56 3iqf h ALA 245 N 1.44 1.06 -0.66 0.00 0.00 -1.10 -1.20 119.26 118.80 3iqf h ALA 245 Ca 0.36 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3iqf h ALA 245 Cb 0.38 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3iqf h ALA 245 CO -0.27 0.64 0.15 0.93 0.00 0.00 0.00 179.25 180.69 3iqf h GLU 246 N 1.04 1.05 -0.26 0.00 5.08 -0.91 -1.07 114.58 119.51 3iqf h GLU 246 Ca 0.23 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3iqf h GLU 246 Cb 0.29 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3iqf h GLU 246 CO -0.01 0.94 0.12 -0.07 -1.00 0.00 0.00 179.01 178.99 3iqf h LEU 247 N 0.99 0.34 -0.94 1.33 3.38 -0.67 -0.53 115.31 119.22 3iqf h LEU 247 Ca 0.21 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3iqf h LEU 247 Cb 0.37 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 3iqf h LEU 247 CO 0.00 0.38 0.59 0.00 0.09 0.00 0.00 178.44 179.51 3iqf h ALA 248 N 0.97 1.30 -0.38 1.53 0.00 -0.99 -0.90 119.26 120.79 3iqf h ALA 248 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3iqf h ALA 248 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3iqf h ALA 248 CO -0.01 0.36 0.22 0.22 0.00 0.00 0.00 179.25 180.04 3iqf h ASP 249 N 1.07 0.47 -0.53 0.00 3.58 -0.96 -1.45 116.42 118.60 3iqf h ASP 249 Ca 0.41 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.83 3iqf h ASP 249 Cb 0.18 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.07 3iqf h ASP 249 CO -0.18 0.41 0.26 -0.08 -2.88 0.00 0.00 179.24 176.78 3iqf h GLU 250 N 0.49 0.49 -0.28 0.28 4.81 -0.59 0.87 114.58 120.65 3iqf h GLU 250 Ca 0.14 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3iqf h GLU 250 Cb 0.04 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3iqf h GLU 250 CO -0.02 0.33 0.15 0.00 -0.73 0.00 0.00 179.01 178.73 3iqf h ALA 251 N 1.30 0.34 -0.79 2.92 0.00 -0.93 -2.04 119.26 120.06 3iqf h ALA 251 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3iqf h ALA 251 Cb 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3iqf h ALA 251 CO -0.18 -0.23 0.35 -0.09 0.00 0.00 0.00 179.25 179.11 3iqf h ARG 252 N 0.32 1.16 -0.31 0.00 2.43 -0.77 -2.23 114.38 114.97 3iqf h ARG 252 Ca 0.11 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3iqf h ARG 252 Cb 0.01 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 3iqf h ARG 252 CO -0.06 0.91 -0.08 0.93 -1.51 0.00 0.00 179.97 180.16 3iqf h GLU 253 N 1.14 0.52 -0.74 0.20 4.39 -0.63 -1.30 114.58 118.16 3iqf h GLU 253 Ca 0.27 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.86 3iqf h GLU 253 Cb 0.16 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 3iqf h GLU 253 CO -0.03 0.60 0.47 -0.07 -1.16 0.00 0.00 179.01 178.83 3iqf h LEU 254 N 0.48 0.79 -0.90 1.33 3.38 -0.81 -1.22 115.31 118.35 3iqf h LEU 254 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3iqf h LEU 254 Cb 0.44 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3iqf h LEU 254 CO 0.02 0.55 0.41 -0.33 0.09 0.00 0.00 178.44 179.18 3iqf h GLU 255 N 0.93 1.19 -0.93 1.13 4.39 -0.83 -2.17 114.58 118.29 3iqf h GLU 255 Ca 0.29 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.83 3iqf h GLU 255 Cb -0.01 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.38 3iqf h GLU 255 CO -0.10 0.91 0.60 0.87 -1.16 0.00 0.00 179.01 180.14 3iqf h LYS 256 N 1.19 1.24 0.00 2.33 1.57 -0.93 -0.75 116.57 121.22 3iqf h LYS 256 Ca 0.29 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3iqf h LYS 256 Cb 0.11 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3iqf h LYS 256 CO -0.04 0.83 -0.10 0.66 -0.57 0.00 0.00 179.45 180.24 3iqf h SER 257 N 1.27 0.00 -0.36 0.86 4.64 -0.58 -1.02 113.55 118.37 3iqf h SER 257 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3iqf h SER 257 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3iqf h SER 257 CO -0.07 0.10 0.00 0.59 -0.87 0.00 0.00 176.83 176.58 3iqf n ASN 258 N -4.18 3.12 -3.89 4.97 3.02 -1.03 -4.98 115.26 112.29 3iqf n ASN 258 Ca -0.03 -1.95 -0.26 0.00 -0.03 0.00 0.00 54.58 52.32 3iqf n ASN 258 Cb 0.18 -0.23 -0.01 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 1.27 -0.99 -1.07 6.41 2.03 -0.39 -4.89 116.55 118.93 3iqf n ASP 259 Ca 0.19 -0.98 0.03 0.00 0.52 0.00 0.00 54.79 54.54 3iqf n ASP 259 Cb 0.55 -3.22 0.03 0.00 -0.72 0.00 0.00 41.12 37.77 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 -4.36 2.34 -2.26 -1.67 0.00 -0.34 -3.93 120.51 110.28 3iqf n ALA 260 Ca -0.29 -2.01 -0.43 0.00 0.00 0.00 0.00 53.44 50.71 3iqf n ALA 260 Cb 0.67 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.35 3.93 0.15 0.00 1.01 -1.16 -4.64 120.40 119.34 3iqf s VAL 261 Ca 0.24 1.07 -0.31 0.00 0.00 0.00 0.00 61.98 62.97 3iqf s VAL 261 Cb 0.26 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 3iqf s VAL 261 CO -0.10 -0.32 1.61 -0.22 0.00 0.00 0.00 175.10 176.06 3iqf s LEU 262 N 4.59 4.37 -0.05 3.92 2.96 -1.26 -4.22 118.68 128.99 3iqf s LEU 262 Ca 0.64 2.61 0.02 0.00 -0.22 0.00 0.00 54.13 57.18 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 0.25 -0.85 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.20 3iqf s ARG 263 N 1.52 1.30 -0.51 1.98 0.52 -0.54 -5.01 118.95 118.22 3iqf s ARG 263 Ca 0.72 -0.33 0.06 0.00 -0.52 0.00 0.00 55.73 55.66 3iqf s ARG 263 Cb -0.43 -1.14 0.23 0.00 0.52 0.00 0.00 34.95 34.12 3iqf s ARG 263 CO 0.32 0.05 0.57 0.25 0.02 0.00 0.00 175.30 176.50 3iqf n THR 264 N 3.66 0.47 -1.64 0.02 -2.24 -1.26 -1.14 114.28 112.14 3iqf n THR 264 Ca -0.22 -4.41 -0.31 0.00 -2.27 0.00 0.00 64.05 56.84 3iqf n THR 264 Cb 0.52 -1.99 0.04 0.00 -2.10 0.00 0.00 70.33 66.81 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 -1.46 3.10 0.12 -0.78 0.04 -1.24 -4.62 135.00 130.15 3iqf s PRO 265 Ca 0.35 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.08 3iqf s PRO 265 Cb 0.12 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 3iqf s PRO 265 CO -0.10 -0.97 0.65 -1.01 0.04 0.00 0.00 177.00 175.62 3iqf s HIS 266 N -3.08 3.84 0.77 0.56 3.76 -1.26 -0.04 115.29 119.84 3iqf s HIS 266 Ca 0.57 1.41 -0.12 0.00 -0.15 0.00 0.00 55.06 56.78 3iqf s HIS 266 Cb -0.13 -2.60 0.06 0.00 1.11 0.00 0.00 32.58 31.01 3iqf s HIS 266 CO 0.55 0.55 1.11 0.00 -0.85 0.00 0.00 174.74 176.10 3iqf s ALA 267 N -1.15 2.52 0.53 -1.40 0.00 0.33 -4.92 121.76 117.66 3iqf s ALA 267 Ca 0.32 -0.35 0.21 0.00 0.00 0.00 0.00 51.96 52.14 3iqf s ALA 267 Cb -0.21 -3.05 1.34 0.00 0.00 0.00 0.00 23.12 21.21 3iqf s ALA 267 CO 0.22 -1.54 2.06 -1.35 0.00 0.00 0.00 175.76 175.15 3iqf h PRO 268 N -0.95 0.00 -0.10 0.00 0.11 -1.89 0.73 132.00 129.90 3iqf h PRO 268 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 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 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3iqf n ASP 269 N -4.45 1.00 0.00 -2.05 5.68 -1.26 -0.56 116.55 114.92 3iqf n ASP 269 Ca 0.04 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 3iqf n ASP 269 Cb 0.39 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3iqf n ASP 269 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iqf n GLY 270 N 0.99 2.75 3.70 6.12 0.00 0.25 -4.73 105.19 114.27 3iqf n GLY 270 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 2.22 -3.17 1.61 4.81 -1.26 -4.60 118.16 115.77 3iqf n LYS 271 Ca 0.00 0.78 -0.41 0.00 -0.87 0.00 0.00 58.31 57.82 3iqf n LYS 271 Cb 0.00 -2.42 -0.07 0.00 0.02 0.00 0.00 35.03 32.56 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 -0.67 5.00 0.63 3.15 1.01 -1.26 -0.52 120.40 127.74 3iqf s VAL 272 Ca 0.60 0.85 0.02 0.00 0.00 0.00 0.00 61.98 63.45 3iqf s VAL 272 Cb -0.57 -3.92 0.08 0.00 0.00 0.00 0.00 36.38 31.97 3iqf s VAL 272 CO 0.57 -0.04 0.87 -0.76 0.00 0.00 0.00 175.10 175.74 3iqf s LEU 273 N 2.47 3.12 0.01 3.92 1.43 0.94 -4.99 118.68 125.58 3iqf s LEU 273 Ca 0.23 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 3iqf s LEU 273 Cb -0.15 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.81 3iqf s LEU 273 CO 0.10 -1.50 0.22 -0.55 0.23 0.00 0.00 176.35 174.85 3iqf s SER 274 N -4.60 -0.05 0.21 2.29 0.15 -1.26 -3.62 113.70 106.81 3iqf s SER 274 Ca 0.62 -0.16 -0.22 0.00 0.70 0.00 0.00 55.95 56.90 3iqf s SER 274 Cb -0.07 0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.55 3iqf s SER 274 CO 0.41 -0.46 0.65 -1.59 1.20 0.00 0.00 173.24 173.45 3iqf s LYS 275 N -1.77 1.50 0.00 5.44 -2.85 -0.29 -1.44 119.74 120.34 3iqf s LYS 275 Ca -0.11 -0.71 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 3iqf s LYS 275 Cb -0.05 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 3iqf s LYS 275 CO 0.01 -0.67 0.00 0.54 0.10 0.00 0.00 175.35 175.32 3iqf n ARG 276 N -0.41 0.00 -2.49 1.78 5.12 -1.26 -1.46 116.66 117.93 3iqf n ARG 276 Ca -0.11 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.40 3iqf n ARG 276 Cb 0.62 -0.62 -0.04 0.00 -1.16 0.00 0.00 32.46 31.27 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 -1.78 4.58 0.23 5.56 1.02 -1.25 -2.98 119.74 125.12 3iqf s LYS 277 Ca 0.00 1.74 -0.06 0.00 0.02 0.00 0.00 55.97 57.68 3iqf s LYS 277 Cb 0.00 -3.27 0.39 0.00 -0.52 0.00 0.00 37.83 34.43 3iqf s LYS 277 CO 0.00 0.06 1.75 0.35 -0.92 0.00 0.00 175.35 176.59 3iqf h PHE 278 N 5.07 0.57 -0.17 3.18 3.04 -1.91 -1.46 116.94 125.26 3iqf h PHE 278 Ca -0.44 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.54 3iqf h PHE 278 Cb 1.21 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.58 3iqf h PHE 278 CO 0.62 0.14 0.00 -1.33 -2.02 0.00 0.00 178.31 175.73 3iqf n MET 279 N -4.93 1.79 -3.04 1.11 2.81 -1.26 -4.88 117.12 108.72 3iqf n MET 279 Ca 0.13 -1.18 -0.39 0.00 -1.81 0.00 0.00 57.70 54.44 3iqf n MET 279 Cb 0.34 -1.41 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 3iqf n MET 279 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3iqf s GLU 280 N -1.79 4.47 0.36 0.03 -1.05 -0.55 -5.04 118.70 115.12 3iqf s GLU 280 Ca 0.33 1.02 -0.28 0.00 -0.15 0.00 0.00 54.97 55.90 3iqf s GLU 280 Cb 0.18 -3.32 -0.10 0.00 -0.44 0.00 0.00 34.13 30.45 3iqf s GLU 280 CO 0.27 0.41 1.34 -0.51 0.95 0.00 0.00 175.26 177.73 3iqf s ASP 281 N -0.50 6.57 0.37 0.83 1.01 -1.26 -4.88 116.67 118.81 3iqf s ASP 281 Ca 0.36 2.76 -0.26 0.00 0.71 0.00 0.00 52.55 56.11 3iqf s ASP 281 Cb -0.21 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 40.98 3iqf s ASP 281 CO 0.23 -0.68 1.17 -2.16 0.21 0.00 0.00 175.17 173.94 3iqf s PRO 282 N -1.96 4.21 0.00 8.23 0.04 -1.26 -4.82 135.00 139.45 3iqf s PRO 282 Ca 0.51 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3iqf s PRO 282 Cb -0.41 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3iqf s PRO 282 CO 0.54 -0.19 0.03 0.39 0.04 0.00 0.00 177.00 177.81