#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 3.37 0.12 12.58 1.01 -1.26 -4.58 120.40 131.63 3iqf s VAL 3 Ca 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 3iqf s VAL 3 Cb 0.00 -2.51 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 3iqf s VAL 3 CO 0.00 0.44 0.77 0.00 0.00 0.00 0.00 175.10 176.32 3iqf s ALA 4 N 1.22 3.42 -0.03 5.51 0.00 0.39 -4.93 121.76 127.34 3iqf s ALA 4 Ca 0.03 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.38 3iqf s ALA 4 Cb -0.14 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 3iqf s ALA 4 CO -0.02 0.20 -0.22 0.15 0.00 0.00 0.00 175.76 175.88 3iqf s LYS 5 N -0.70 1.90 -0.01 0.00 1.02 -1.26 -1.29 119.74 119.40 3iqf s LYS 5 Ca 0.37 -0.78 -0.08 0.00 0.02 0.00 0.00 55.97 55.50 3iqf s LYS 5 Cb -0.22 -1.77 0.01 0.00 -0.52 0.00 0.00 37.83 35.32 3iqf s LYS 5 CO 0.25 0.43 0.17 0.00 -0.92 0.00 0.00 175.35 175.28 3iqf s ALA 6 N -0.39 -0.41 -0.14 5.17 0.00 -0.97 0.36 121.76 125.38 3iqf s ALA 6 Ca 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 3iqf s ALA 6 Cb -0.10 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3iqf s ALA 6 CO 0.00 -0.19 -0.05 0.42 0.00 0.00 0.00 175.76 175.94 3iqf s ILE 7 N -1.11 3.80 -0.16 0.00 1.01 -1.10 -1.85 121.20 121.78 3iqf s ILE 7 Ca -0.12 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 3iqf s ILE 7 Cb -0.06 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3iqf s ILE 7 CO 0.02 0.51 0.01 -0.36 0.00 0.00 0.00 174.94 175.11 3iqf s PHE 8 N 0.20 3.13 -0.15 3.97 0.40 0.18 -0.28 117.98 125.43 3iqf s PHE 8 Ca -0.03 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 3iqf s PHE 8 Cb -0.14 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.39 3iqf s PHE 8 CO 0.03 0.07 -0.18 0.42 0.70 0.00 0.00 175.22 176.26 3iqf s ILE 9 N 0.31 2.47 -0.21 0.64 1.01 0.17 -1.06 121.20 124.53 3iqf s ILE 9 Ca -0.01 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3iqf s ILE 9 Cb -0.13 -2.03 0.05 0.00 0.01 0.00 0.00 42.46 40.36 3iqf s ILE 9 CO 0.02 0.53 -0.09 -0.54 0.00 0.00 0.00 174.94 174.85 3iqf s LYS 10 N 0.78 1.94 -0.07 2.79 1.02 -0.73 -0.48 119.74 124.99 3iqf s LYS 10 Ca -0.07 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.06 3iqf s LYS 10 Cb -0.16 -2.44 0.02 0.00 -0.52 0.00 0.00 37.83 34.73 3iqf s LYS 10 CO 0.00 -0.46 -0.08 0.00 -0.92 0.00 0.00 175.35 173.89 3iqf n GLY 12 N 4.26 -2.19 2.85 0.00 0.00 -0.32 -4.33 105.19 105.46 3iqf n GLY 12 Ca -0.20 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.18 0.25 0.14 1.61 2.47 -1.26 -4.64 114.94 110.32 3iqf s ASN 13 Ca 0.00 -0.02 0.05 0.00 0.42 0.00 0.00 52.86 53.32 3iqf s ASN 13 Cb 0.00 -0.09 -0.04 0.00 -1.45 0.00 0.00 41.25 39.67 3iqf s ASN 13 CO 0.00 -0.04 -0.12 -0.76 -3.72 0.00 0.00 177.10 172.46 3iqf s LEU 14 N 0.47 2.48 0.25 3.21 1.02 -1.26 -4.57 118.68 120.28 3iqf s LEU 14 Ca -0.04 -0.92 -0.04 0.00 0.02 0.00 0.00 54.13 53.15 3iqf s LEU 14 Cb -0.07 -0.47 0.37 0.00 0.02 0.00 0.00 46.19 46.04 3iqf s LEU 14 CO -0.01 -0.23 1.86 1.23 0.02 0.00 0.00 176.35 179.22 3iqf h GLY 15 N 3.08 1.39 1.53 -3.19 0.00 -1.94 -1.22 103.07 102.74 3iqf h GLY 15 Ca -0.38 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 46.33 3iqf h GLY 15 CO 0.58 0.27 -0.82 -0.84 0.00 0.00 0.00 176.54 175.73 3iqf h THR 16 N 1.03 1.38 0.00 4.70 2.02 -1.97 -2.92 112.91 117.15 3iqf h THR 16 Ca 0.40 -2.26 -0.11 0.00 0.77 0.00 0.00 66.41 65.21 3iqf h THR 16 Cb 0.20 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 3iqf h THR 16 CO -0.18 0.68 -0.55 0.77 0.37 0.00 0.00 175.52 176.61 3iqf h SER 17 N 0.28 0.00 -0.44 4.18 4.64 -1.85 -0.19 113.55 120.17 3iqf h SER 17 Ca -0.05 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.14 3iqf h SER 17 Cb 1.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 3iqf h SER 17 CO 0.14 0.55 -0.22 -0.03 -0.87 0.00 0.00 176.83 176.40 3iqf h MET 18 N 0.00 0.95 0.00 4.77 -1.53 -1.09 -3.31 114.93 114.72 3iqf h MET 18 Ca -0.01 -0.40 0.00 0.00 -3.44 0.00 0.00 59.70 55.85 3iqf h MET 18 Cb 1.13 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 32.15 3iqf h MET 18 CO 0.07 1.07 -1.17 -1.33 0.14 0.00 0.00 176.91 175.69 3iqf n MET 19 N -4.11 0.22 -0.22 0.39 2.81 -1.08 -4.72 117.12 110.41 3iqf n MET 19 Ca 0.00 -0.04 0.01 0.00 -1.81 0.00 0.00 57.70 55.86 3iqf n MET 19 Cb 0.46 -1.53 0.12 0.00 -0.71 0.00 0.00 33.22 31.56 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 0.46 -0.21 0.03 -0.00 -1.12 0.18 114.93 114.28 3iqf h MET 20 Ca 0.00 -0.03 -0.15 0.00 -0.00 0.00 0.00 59.70 59.52 3iqf h MET 20 Cb 0.67 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 32.16 3iqf h MET 20 CO 0.00 0.31 -0.50 0.38 -0.00 0.00 0.00 176.91 177.10 3iqf h ASP 21 N 0.48 0.62 0.62 -0.10 2.03 -1.84 -3.21 116.42 115.01 3iqf h ASP 21 Ca 0.33 -0.31 -0.13 0.00 -0.73 0.00 0.00 57.03 56.18 3iqf h ASP 21 Cb 0.39 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.69 3iqf h ASP 21 CO -0.30 1.01 -0.62 0.24 -1.03 0.00 0.00 179.24 178.54 3iqf h MET 22 N 0.45 0.00 0.00 4.15 2.86 -1.32 -2.18 114.93 118.90 3iqf h MET 22 Ca 0.02 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3iqf h MET 22 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3iqf h MET 22 CO 0.09 0.62 0.00 -0.07 1.06 0.00 0.00 176.91 178.62 3iqf h LEU 23 N 0.00 0.00 -0.35 1.22 3.38 -1.30 -2.48 115.31 115.78 3iqf h LEU 23 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iqf h LEU 23 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3iqf h LEU 23 CO 0.08 0.00 -0.64 0.18 0.09 0.00 0.00 178.44 178.15 3iqf n LEU 24 N -2.76 1.19 -2.86 1.67 4.77 -0.82 -4.62 117.00 113.57 3iqf n LEU 24 Ca -0.02 -0.44 -0.12 0.00 -0.03 0.00 0.00 56.01 55.40 3iqf n LEU 24 Cb 0.07 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3iqf n LEU 24 CO 0.16 0.25 0.13 -0.67 -1.33 0.00 0.00 177.39 175.94 3iqf n ASP 25 N -0.96 -1.72 0.28 -1.43 2.03 -0.94 -4.98 116.55 108.83 3iqf n ASP 25 Ca 0.07 -3.35 0.16 0.00 0.52 0.00 0.00 54.79 52.18 3iqf n ASP 25 Cb 0.37 1.19 0.84 0.00 -0.72 0.00 0.00 41.12 42.81 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 3.43 0.00 -0.08 -0.67 9.09 -1.80 -1.49 114.58 123.06 3iqf h GLU 26 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 3iqf h GLU 26 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3iqf h GLU 26 CO 0.29 0.07 0.00 0.54 0.05 0.00 0.00 179.01 179.96 3iqf n ARG 27 N -3.46 2.47 -2.49 1.06 1.74 -1.26 -5.00 116.66 109.72 3iqf n ARG 27 Ca -0.02 -2.04 -0.18 0.00 -0.77 0.00 0.00 57.85 54.84 3iqf n ARG 27 Cb 0.20 -1.28 -0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 -0.62 -0.71 0.05 7.54 0.00 -0.56 -4.87 120.51 121.34 3iqf n ALA 28 Ca 0.09 0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.71 3iqf n ALA 28 Cb 0.46 -2.14 0.05 0.00 0.00 0.00 0.00 19.45 17.82 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 -2.00 2.02 -4.68 0.00 5.75 -1.26 -4.96 116.55 111.42 3iqf n ASP 29 Ca -0.20 -1.67 -0.42 0.00 -0.01 0.00 0.00 54.79 52.49 3iqf n ASP 29 Cb 0.66 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.65 3iqf n ASP 29 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3iqf s ARG 30 N -0.76 4.26 0.00 0.11 0.52 -1.26 -4.39 118.95 117.43 3iqf s ARG 30 Ca 0.09 1.94 0.26 0.00 -0.52 0.00 0.00 55.73 57.50 3iqf s ARG 30 Cb 0.05 -3.66 0.73 0.00 0.52 0.00 0.00 34.95 32.58 3iqf s ARG 30 CO 0.07 -0.63 1.55 0.39 0.02 0.00 0.00 175.30 176.70 3iqf n GLU 31 N 5.82 1.04 -0.22 3.54 1.02 0.93 -4.31 120.64 128.46 3iqf n GLU 31 Ca 0.14 -0.65 0.06 0.00 -0.02 0.00 0.00 57.16 56.69 3iqf n GLU 31 Cb 0.44 -1.49 0.18 0.00 -0.02 0.00 0.00 31.44 30.55 3iqf n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3iqf n ASP 32 N -0.42 3.10 -4.11 1.62 3.85 -1.26 -4.80 116.55 114.54 3iqf n ASP 32 Ca 0.13 -2.07 -0.11 0.00 -0.71 0.00 0.00 54.79 52.02 3iqf n ASP 32 Cb 0.37 -0.28 -0.11 0.00 -1.35 0.00 0.00 41.12 39.75 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 -1.13 0.57 -0.15 2.12 -7.23 -1.26 -0.46 120.40 112.85 3iqf s VAL 33 Ca 0.27 -1.53 -0.08 0.00 -1.81 0.00 0.00 61.98 58.84 3iqf s VAL 33 Cb 0.15 -1.16 0.06 0.00 0.56 0.00 0.00 36.38 35.98 3iqf s VAL 33 CO 0.17 -0.66 0.35 -0.70 -0.31 0.00 0.00 175.10 173.95 3iqf s GLU 34 N -2.80 0.31 0.16 4.82 2.12 -0.41 -4.90 118.70 118.00 3iqf s GLU 34 Ca 0.01 0.73 0.09 0.00 0.36 0.00 0.00 54.97 56.16 3iqf s GLU 34 Cb -0.02 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.31 3iqf s GLU 34 CO -0.03 -0.18 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.26 3iqf s PHE 35 N 1.54 1.92 0.03 5.30 2.99 -1.26 -2.30 117.98 126.19 3iqf s PHE 35 Ca -0.08 -0.44 0.07 0.00 0.00 0.00 0.00 56.93 56.48 3iqf s PHE 35 Cb -0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 43.02 41.93 3iqf s PHE 35 CO -0.11 0.34 -0.20 1.03 -0.00 0.00 0.00 175.22 176.28 3iqf s ARG 36 N -2.62 1.39 -0.08 0.44 1.81 -0.77 -4.99 118.95 114.13 3iqf s ARG 36 Ca 0.15 -0.88 0.02 0.00 -1.72 0.00 0.00 55.73 53.30 3iqf s ARG 36 Cb -0.07 -1.47 0.02 0.00 -0.45 0.00 0.00 34.95 32.98 3iqf s ARG 36 CO 0.07 0.38 -0.12 0.08 -0.68 0.00 0.00 175.30 175.03 3iqf s VAL 37 N -0.73 1.17 0.12 3.52 1.01 -1.26 -0.65 120.40 123.58 3iqf s VAL 37 Ca 0.07 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3iqf s VAL 37 Cb -0.08 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3iqf s VAL 37 CO 0.01 0.37 -0.06 0.68 0.00 0.00 0.00 175.10 176.10 3iqf s VAL 38 N 0.94 0.78 0.00 2.92 -7.23 -0.23 -4.97 120.40 112.61 3iqf s VAL 38 Ca -0.09 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 3iqf s VAL 38 Cb -0.15 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.00 3iqf s VAL 38 CO 0.00 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 174.62 3iqf n GLY 39 N -0.11 -0.77 0.58 2.32 0.00 -1.26 -1.77 105.19 104.18 3iqf n GLY 39 Ca -0.11 -1.05 0.06 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.22 1.83 -2.86 2.61 -2.24 -1.13 -4.94 114.28 107.32 3iqf n THR 40 Ca 0.00 -2.69 0.00 0.00 -2.27 0.00 0.00 64.05 59.09 3iqf n THR 40 Cb 0.00 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3iqf n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iqf n SER 41 N -0.97 0.00 0.07 3.42 2.88 -1.26 -2.79 113.62 114.97 3iqf n SER 41 Ca 0.16 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.82 3iqf n SER 41 Cb 0.73 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.64 3iqf n SER 41 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3iqf n VAL 42 N 0.00 0.67 -2.85 2.46 0.24 -1.26 -1.18 118.33 116.40 3iqf n VAL 42 Ca 0.00 0.06 -0.41 0.00 -2.04 0.00 0.00 64.34 61.95 3iqf n VAL 42 Cb 0.00 -0.87 -0.04 0.00 -1.47 0.00 0.00 33.84 31.47 3iqf n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3iqf s LYS 43 N -3.14 4.42 -0.06 7.34 1.02 -1.12 -3.33 119.74 124.88 3iqf s LYS 43 Ca 0.08 1.15 0.17 0.00 0.02 0.00 0.00 55.97 57.39 3iqf s LYS 43 Cb 0.12 -3.50 0.33 0.00 -0.52 0.00 0.00 37.83 34.26 3iqf s LYS 43 CO 0.44 -0.15 1.15 0.00 -0.92 0.00 0.00 175.35 175.87 3iqf n MET 44 N 4.45 0.49 -1.63 1.68 0.00 -1.26 -3.94 117.12 116.92 3iqf n MET 44 Ca 0.04 -2.17 -0.32 0.00 0.00 0.00 0.00 57.70 55.24 3iqf n MET 44 Cb 0.50 -0.61 0.06 0.00 0.00 0.00 0.00 33.22 33.16 3iqf n MET 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3iqf s ASP 45 N -2.18 4.98 0.27 3.17 -4.77 -1.26 -3.88 116.67 112.99 3iqf s ASP 45 Ca 0.28 1.93 0.00 0.00 -3.30 0.00 0.00 52.55 51.47 3iqf s ASP 45 Cb 0.30 -2.54 0.60 0.00 -1.09 0.00 0.00 42.92 40.20 3iqf s ASP 45 CO -0.10 -1.71 1.72 -0.65 0.70 0.00 0.00 175.17 175.13 3iqf h PRO 46 N -0.29 0.45 -0.10 2.11 0.11 -1.87 0.43 132.00 132.85 3iqf h PRO 46 Ca -0.46 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3iqf h PRO 46 Cb 1.24 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3iqf h PRO 46 CO 0.54 0.30 -0.08 0.93 -0.21 0.00 0.00 178.00 179.47 3iqf h GLU 47 N 0.46 -0.09 -0.48 1.05 3.07 -1.96 -0.12 114.58 116.51 3iqf h GLU 47 Ca 0.50 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.30 3iqf h GLU 47 Cb 0.84 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 3iqf h GLU 47 CO -0.46 -0.06 0.05 0.00 -1.40 0.00 0.00 179.01 177.14 3iqf h VAL 49 N 0.67 1.24 -0.42 0.00 2.07 -0.81 -0.49 116.25 118.50 3iqf h VAL 49 Ca 0.14 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3iqf h VAL 49 Cb 0.43 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3iqf h VAL 49 CO 0.01 0.30 0.26 -0.08 0.02 0.00 0.00 177.57 178.09 3iqf h GLU 50 N 0.73 0.57 -0.90 1.57 4.81 -0.85 0.48 114.58 120.98 3iqf h GLU 50 Ca 0.17 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3iqf h GLU 50 Cb 0.31 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 3iqf h GLU 50 CO -0.00 0.41 0.56 0.00 -0.73 0.00 0.00 179.01 179.25 3iqf h ALA 51 N 1.13 1.26 -0.07 2.92 0.00 -1.02 0.16 119.26 123.63 3iqf h ALA 51 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3iqf h ALA 51 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3iqf h ALA 51 CO -0.03 0.29 0.03 0.00 0.00 0.00 0.00 179.25 179.53 3iqf h ALA 52 N 1.44 0.10 -0.20 0.00 0.00 -0.32 -0.85 119.26 119.42 3iqf h ALA 52 Ca 0.40 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3iqf h ALA 52 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3iqf h ALA 52 CO -0.19 -0.30 -0.32 0.28 0.00 0.00 0.00 179.25 178.71 3iqf h VAL 53 N -0.06 1.28 -0.66 0.00 2.07 -0.59 -1.61 116.25 116.68 3iqf h VAL 53 Ca 0.02 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 3iqf h VAL 53 Cb 0.20 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3iqf h VAL 53 CO -0.00 0.43 0.31 -0.33 0.02 0.00 0.00 177.57 178.00 3iqf h GLU 54 N 0.35 0.95 -0.19 1.57 5.08 -0.56 0.13 114.58 121.91 3iqf h GLU 54 Ca 0.04 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3iqf h GLU 54 Cb 0.75 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 3iqf h GLU 54 CO 0.06 0.76 -0.05 0.52 -1.00 0.00 0.00 179.01 179.30 3iqf h MET 55 N 0.91 -0.01 -0.16 2.33 2.86 -0.39 0.79 114.93 121.27 3iqf h MET 55 Ca 0.22 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3iqf h MET 55 Cb 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3iqf h MET 55 CO -0.03 -0.01 0.07 0.00 1.06 0.00 0.00 176.91 178.01 3iqf h ALA 56 N 1.18 0.18 -0.23 6.32 0.00 -1.11 -0.59 119.26 125.01 3iqf h ALA 56 Ca 0.09 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3iqf h ALA 56 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3iqf h ALA 56 CO -0.20 -0.36 -0.26 -0.07 0.00 0.00 0.00 179.25 178.36 3iqf h LEU 57 N 0.16 0.43 -0.18 0.00 3.38 -0.80 0.19 115.31 118.49 3iqf h LEU 57 Ca 0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3iqf h LEU 57 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3iqf h LEU 57 CO -0.05 0.69 0.11 0.44 0.09 0.00 0.00 178.44 179.72 3iqf h ASP 58 N 0.38 0.22 -0.30 -0.43 3.32 -0.54 -2.70 116.42 116.37 3iqf h ASP 58 Ca 0.06 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 3iqf h ASP 58 Cb 0.66 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3iqf h ASP 58 CO 0.05 0.20 0.01 0.40 -1.72 0.00 0.00 179.24 178.18 3iqf h ILE 59 N 0.22 1.22 0.00 0.35 2.04 -0.60 -3.05 117.51 117.70 3iqf h ILE 59 Ca 0.07 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 3iqf h ILE 59 Cb 0.02 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3iqf h ILE 59 CO -0.01 0.30 -0.19 0.00 0.00 0.00 0.00 178.15 178.26 3iqf h ALA 60 N 1.40 1.33 -0.62 1.87 0.00 -0.31 0.97 119.26 123.90 3iqf h ALA 60 Ca 0.13 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3iqf h ALA 60 Cb 0.37 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3iqf h ALA 60 CO 0.01 0.23 0.24 0.93 0.00 0.00 0.00 179.25 180.66 3iqf h GLU 61 N 0.00 0.41 0.01 0.00 5.08 -1.39 0.10 114.58 118.79 3iqf h GLU 61 Ca -0.00 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 3iqf h GLU 61 Cb 0.44 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 3iqf h GLU 61 CO 0.02 0.27 -2.10 -0.25 -1.00 0.00 0.00 179.01 175.96 3iqf n ASP 62 N -4.99 0.63 0.07 1.42 8.00 -0.89 -4.43 116.55 116.36 3iqf n ASP 62 Ca 0.09 0.17 -0.11 0.00 0.71 0.00 0.00 54.79 55.65 3iqf n ASP 62 Cb 0.28 0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 41.71 3iqf n ASP 62 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3iqf h PHE 63 N 0.00 0.51 -5.90 1.24 3.57 -0.77 -3.49 116.94 112.10 3iqf h PHE 63 Ca -0.44 -0.26 -0.34 0.00 3.53 0.00 0.00 57.97 60.46 3iqf h PHE 63 Cb 2.12 -0.06 0.12 0.00 2.79 0.00 0.00 35.95 40.92 3iqf h PHE 63 CO 0.01 1.07 -0.85 0.39 -2.23 0.00 0.00 178.31 176.69 3iqf n GLU 64 N -3.74 -1.60 -2.03 1.11 1.02 0.35 -4.95 120.64 110.79 3iqf n GLU 64 Ca -0.05 0.69 -0.35 0.00 -0.02 0.00 0.00 57.16 57.42 3iqf n GLU 64 Cb 0.80 -4.80 0.03 0.00 -0.02 0.00 0.00 31.44 27.45 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 -5.17 3.02 0.16 3.49 0.04 -1.26 -4.87 135.00 130.42 3iqf s PRO 65 Ca 0.43 1.73 0.07 0.00 0.04 0.00 0.00 61.00 63.26 3iqf s PRO 65 Cb -0.11 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 3iqf s PRO 65 CO 0.81 -1.14 1.37 -0.44 0.04 0.00 0.00 177.00 177.64 3iqf h ASP 66 N 0.84 0.03 -5.19 6.66 3.32 -0.46 -3.48 116.42 118.15 3iqf h ASP 66 Ca -0.50 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.48 3iqf h ASP 66 Cb 1.28 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.73 3iqf h ASP 66 CO 0.55 0.91 -0.08 0.72 -1.72 0.00 0.00 179.24 179.63 3iqf s PHE 67 N -2.98 0.23 -0.04 4.55 -0.12 -1.20 -4.31 117.98 114.11 3iqf s PHE 67 Ca -0.00 -0.60 0.03 0.00 -0.05 0.00 0.00 56.93 56.32 3iqf s PHE 67 Cb 0.11 0.25 -0.00 0.00 -0.63 0.00 0.00 43.02 42.75 3iqf s PHE 67 CO 0.81 -0.98 -0.13 0.42 -0.05 0.00 0.00 175.22 175.29 3iqf s ILE 68 N -3.98 1.14 -0.14 -4.49 1.01 -0.32 -2.72 121.20 111.70 3iqf s ILE 68 Ca 0.18 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 3iqf s ILE 68 Cb -0.01 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3iqf s ILE 68 CO 0.06 0.34 -0.13 -0.69 0.00 0.00 0.00 174.94 174.52 3iqf s VAL 69 N 0.11 3.02 -0.17 2.92 1.01 0.61 -1.33 120.40 126.57 3iqf s VAL 69 Ca -0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3iqf s VAL 69 Cb -0.10 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3iqf s VAL 69 CO 0.01 0.51 -0.05 -0.47 0.00 0.00 0.00 175.10 175.11 3iqf s TYR 70 N 0.54 2.97 -0.04 5.22 6.14 -0.06 0.41 117.35 132.53 3iqf s TYR 70 Ca -0.08 -0.48 0.02 0.00 0.64 0.00 0.00 57.07 57.16 3iqf s TYR 70 Cb -0.16 -1.98 0.01 0.00 0.42 0.00 0.00 41.96 40.26 3iqf s TYR 70 CO 0.04 -0.17 -0.06 0.20 0.64 0.00 0.00 175.55 176.19 3iqf s GLY 71 N 0.62 0.48 0.00 8.97 0.00 0.37 -0.67 107.32 117.08 3iqf s GLY 71 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.52 3iqf s GLY 71 CO 0.03 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.94 3iqf n GLY 72 N 3.71 -0.89 3.74 0.20 0.00 -0.80 -2.81 105.19 108.35 3iqf n GLY 72 Ca -0.22 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 3iqf n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iqf s PRO 73 N -2.00 2.91 -0.34 1.61 0.02 -1.26 -4.18 135.00 131.76 3iqf s PRO 73 Ca 0.00 2.09 -0.29 0.00 0.02 0.00 0.00 61.00 62.82 3iqf s PRO 73 Cb 0.00 -2.05 0.04 0.00 0.02 0.00 0.00 34.50 32.51 3iqf s PRO 73 CO 0.00 -1.32 0.50 -1.71 -0.33 0.00 0.00 177.00 174.14 3iqf n ASN 74 N -1.43 -5.89 0.34 2.53 2.85 -1.26 -4.85 115.26 107.54 3iqf n ASN 74 Ca 0.13 0.03 0.17 0.00 -0.11 0.00 0.00 54.58 54.79 3iqf n ASN 74 Cb 0.47 -1.86 0.90 0.00 1.24 0.00 0.00 39.78 40.53 3iqf n ASN 74 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iqf h PRO 75 N 2.46 0.00 -0.00 1.20 0.11 -1.87 -1.01 132.00 132.89 3iqf h PRO 75 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3iqf h PRO 75 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3iqf h PRO 75 CO 0.17 0.00 -0.26 0.00 -0.21 0.00 0.00 178.00 177.70 3iqf n ALA 76 N -1.92 3.00 -1.73 -0.75 0.00 -1.26 -3.38 120.51 114.46 3iqf n ALA 76 Ca -0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 53.44 52.86 3iqf n ALA 76 Cb 0.32 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.91 2.80 0.21 0.00 0.00 -0.38 -4.77 121.76 116.70 3iqf s ALA 77 Ca 0.15 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 3iqf s ALA 77 Cb 0.18 -3.10 0.25 0.00 0.00 0.00 0.00 23.12 20.45 3iqf s ALA 77 CO 0.60 -1.11 1.79 -1.35 0.00 0.00 0.00 175.76 175.70 3iqf h PRO 78 N -0.63 0.60 0.69 0.00 0.11 -1.91 0.10 132.00 130.97 3iqf h PRO 78 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3iqf h PRO 78 Cb 1.22 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3iqf h PRO 78 CO 0.60 0.40 -0.33 0.78 -0.21 0.00 0.00 178.00 179.24 3iqf h GLY 79 N 0.62 -0.97 1.44 -0.55 0.00 -1.85 -2.16 103.07 99.60 3iqf h GLY 79 Ca 0.30 0.36 0.08 0.00 0.00 0.00 0.00 47.33 48.07 3iqf h GLY 79 CO -0.21 -0.35 0.20 -2.55 0.00 0.00 0.00 176.54 173.63 3iqf h PRO 80 N -1.15 0.01 -0.60 4.80 0.11 -1.72 -0.92 132.00 132.52 3iqf h PRO 80 Ca -0.10 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 3iqf h PRO 80 Cb 0.74 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 3iqf h PRO 80 CO 0.16 0.01 0.10 0.77 -0.21 0.00 0.00 178.00 178.83 3iqf h SER 81 N 0.01 0.93 -0.48 -2.05 0.02 -0.63 -0.77 113.55 110.59 3iqf h SER 81 Ca 0.13 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3iqf h SER 81 Cb 0.52 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3iqf h SER 81 CO -0.00 0.93 0.29 0.50 -1.14 0.00 0.00 176.83 177.40 3iqf h LYS 82 N 0.92 0.65 -0.62 3.45 1.63 -0.53 -2.30 116.57 119.78 3iqf h LYS 82 Ca 0.19 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 3iqf h LYS 82 Cb 0.40 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 3iqf h LYS 82 CO 0.01 0.48 0.32 0.00 -3.45 0.00 0.00 179.45 176.81 3iqf h ALA 83 N 1.13 0.79 -0.34 5.00 0.00 -0.85 -0.93 119.26 124.06 3iqf h ALA 83 Ca 0.17 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iqf h ALA 83 Cb -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3iqf h ALA 83 CO -0.03 0.32 0.15 0.00 0.00 0.00 0.00 179.25 179.69 3iqf h ARG 84 N 0.84 0.30 -0.28 0.00 3.08 -0.99 0.24 114.38 117.58 3iqf h ARG 84 Ca 0.22 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.14 3iqf h ARG 84 Cb 0.07 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3iqf h ARG 84 CO -0.03 0.20 -0.25 1.49 -1.07 0.00 0.00 179.97 180.31 3iqf h GLU 85 N 0.31 0.66 -0.63 0.04 4.57 -1.21 0.29 114.58 118.61 3iqf h GLU 85 Ca 0.15 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3iqf h GLU 85 Cb 0.09 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3iqf h GLU 85 CO -0.13 0.95 0.40 0.52 -1.18 0.00 0.00 179.01 179.57 3iqf h MET 86 N 0.39 0.85 -0.22 1.92 2.86 -0.86 0.19 114.93 120.06 3iqf h MET 86 Ca 0.05 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.43 3iqf h MET 86 Cb 0.81 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3iqf h MET 86 CO 0.06 0.59 -0.62 -0.07 1.06 0.00 0.00 176.91 177.93 3iqf h LEU 87 N 0.86 0.87 -1.07 1.22 3.38 -0.46 -2.37 115.31 117.74 3iqf h LEU 87 Ca 0.23 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3iqf h LEU 87 Cb -0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3iqf h LEU 87 CO -0.05 1.28 0.50 0.00 0.09 0.00 0.00 178.44 180.26 3iqf h ALA 88 N 0.73 1.30 -0.00 1.53 0.00 0.00 -2.48 119.26 120.34 3iqf h ALA 88 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iqf h ALA 88 Cb 1.22 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3iqf h ALA 88 CO 0.13 0.60 -0.00 -0.25 0.00 0.00 0.00 179.25 179.72 3iqf n ASP 89 N -4.37 0.00 -4.91 0.00 8.00 0.61 -4.87 116.55 111.03 3iqf n ASP 89 Ca 0.09 0.24 -0.28 0.00 0.71 0.00 0.00 54.79 55.55 3iqf n ASP 89 Cb 0.07 -0.41 0.08 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.83 4.61 0.00 -2.24 1.04 -0.90 -4.97 113.70 108.41 3iqf s SER 90 Ca 0.20 0.70 0.28 0.00 0.48 0.00 0.00 55.95 57.61 3iqf s SER 90 Cb 0.20 -1.24 1.62 0.00 0.10 0.00 0.00 66.02 66.69 3iqf s SER 90 CO 0.50 -1.81 2.01 -1.84 0.98 0.00 0.00 173.24 173.08 3iqf n GLU 91 N -3.21 0.77 -3.86 4.02 0.28 -1.26 -4.84 120.64 112.54 3iqf n GLU 91 Ca 0.08 0.01 -0.35 0.00 -0.16 0.00 0.00 57.16 56.73 3iqf n GLU 91 Cb 0.61 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.88 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 -2.13 3.24 0.33 -1.84 2.02 -1.26 -5.06 117.35 112.64 3iqf s TYR 92 Ca 0.39 0.03 -0.28 0.00 -0.37 0.00 0.00 57.07 56.84 3iqf s TYR 92 Cb 0.19 -2.16 -0.13 0.00 -0.40 0.00 0.00 41.96 39.46 3iqf s TYR 92 CO 0.35 0.04 1.21 -2.30 -1.57 0.00 0.00 175.55 173.27 3iqf n PRO 93 N 4.01 1.90 -3.97 -1.71 -0.02 -1.26 -4.78 135.00 129.17 3iqf n PRO 93 Ca -0.16 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 3iqf n PRO 93 Cb 0.52 -2.20 -0.11 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.09 0.12 -0.06 3.55 0.00 -1.26 -1.17 121.76 121.85 3iqf s ALA 94 Ca 0.56 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.02 3iqf s ALA 94 Cb -0.60 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3iqf s ALA 94 CO 0.61 -0.15 -0.21 0.08 0.00 0.00 0.00 175.76 176.10 3iqf s VAL 95 N -1.36 1.77 -0.25 0.00 1.01 -0.45 -1.15 120.40 119.97 3iqf s VAL 95 Ca -0.15 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 3iqf s VAL 95 Cb -0.09 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3iqf s VAL 95 CO -0.01 0.50 0.03 -0.63 0.00 0.00 0.00 175.10 174.99 3iqf s ILE 96 N 0.00 3.87 -0.24 2.22 -1.09 -0.23 -0.88 121.20 124.84 3iqf s ILE 96 Ca -0.06 -0.44 -0.11 0.00 -2.23 0.00 0.00 60.65 57.81 3iqf s ILE 96 Cb -0.13 -2.85 -0.05 0.00 -1.58 0.00 0.00 42.46 37.85 3iqf s ILE 96 CO 0.04 0.30 0.19 -0.63 -1.23 0.00 0.00 174.94 173.61 3iqf s ILE 97 N 1.53 5.33 0.00 2.92 -1.09 0.15 -0.89 121.20 129.15 3iqf s ILE 97 Ca 0.05 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 3iqf s ILE 97 Cb -0.15 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 3iqf s ILE 97 CO 0.01 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 3iqf n GLY 98 N 4.33 3.48 0.00 6.18 0.00 -0.59 -1.90 105.19 116.68 3iqf n GLY 98 Ca -0.14 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.61 1.67 -0.30 1.61 3.85 -1.26 -0.94 116.55 120.57 3iqf n ASP 99 Ca 0.00 -0.87 0.01 0.00 -0.71 0.00 0.00 54.79 53.22 3iqf n ASP 99 Cb 0.00 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 39.91 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 0.89 1.15 -0.00 2.12 0.00 -1.78 -1.99 119.26 119.65 3iqf h ALA 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iqf h ALA 100 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3iqf h ALA 100 CO 0.00 0.20 0.01 -1.35 0.00 0.00 0.00 179.25 178.11 3iqf h PRO 101 N 0.89 0.00 -0.04 0.00 0.11 -1.96 -0.88 132.00 130.13 3iqf h PRO 101 Ca 0.37 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.49 3iqf h PRO 101 Cb 0.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 3iqf h PRO 101 CO -0.19 0.00 0.07 0.78 -0.21 0.00 0.00 178.00 178.45 3iqf h GLY 102 N 0.00 0.00 -0.01 -0.55 0.00 -1.71 -2.87 103.07 97.93 3iqf h GLY 102 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.58 3iqf h GLY 102 CO -0.00 0.00 0.65 1.41 0.00 0.00 0.00 176.54 178.60 3iqf h LEU 103 N 0.00 0.47 -2.20 3.11 3.38 -1.32 -1.16 115.31 117.58 3iqf h LEU 103 Ca 0.02 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3iqf h LEU 103 Cb 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3iqf h LEU 103 CO -0.00 0.12 0.16 0.11 0.09 0.00 0.00 178.44 178.92 3iqf h LYS 104 N 0.43 0.00 -0.08 1.13 1.57 -1.73 -2.47 116.57 115.43 3iqf h LYS 104 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 3iqf h LYS 104 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3iqf h LYS 104 CO -0.27 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 179.94 3iqf n VAL 105 N -4.00 1.94 -0.01 0.50 0.24 -0.45 -4.79 118.33 111.76 3iqf n VAL 105 Ca 0.01 -2.07 -0.09 0.00 -2.04 0.00 0.00 64.34 60.14 3iqf n VAL 105 Cb 0.28 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.42 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 0.55 -0.06 -0.15 7.34 3.64 -1.28 0.16 116.57 126.76 3iqf h LYS 106 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 3iqf h LYS 106 Cb 1.10 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3iqf h LYS 106 CO 0.06 -0.04 -0.43 -0.44 -2.27 0.00 0.00 179.45 176.33 3iqf h ASP 107 N -0.06 0.38 -0.50 4.20 3.32 -1.87 -2.09 116.42 119.81 3iqf h ASP 107 Ca 0.07 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.00 3iqf h ASP 107 Cb 0.17 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 3iqf h ASP 107 CO -0.17 0.77 0.23 -0.08 -1.72 0.00 0.00 179.24 178.27 3iqf h GLU 108 N 0.30 0.44 -0.71 3.56 4.81 -1.79 -0.90 114.58 120.29 3iqf h GLU 108 Ca 0.02 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3iqf h GLU 108 Cb 0.88 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 3iqf h GLU 108 CO 0.07 0.29 0.31 0.52 -0.73 0.00 0.00 179.01 179.47 3iqf h MET 109 N 0.45 1.04 -0.83 1.92 2.86 -0.30 0.18 114.93 120.24 3iqf h MET 109 Ca 0.23 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3iqf h MET 109 Cb 0.17 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 3iqf h MET 109 CO -0.18 0.84 0.40 0.93 1.06 0.00 0.00 176.91 179.96 3iqf h GLU 110 N 1.00 1.20 -0.09 1.72 5.08 -1.16 -1.45 114.58 120.88 3iqf h GLU 110 Ca 0.24 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3iqf h GLU 110 Cb 0.17 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3iqf h GLU 110 CO -0.02 0.92 -0.43 1.49 -1.00 0.00 0.00 179.01 179.96 3iqf h GLU 111 N 1.18 0.22 0.00 2.33 4.81 -0.51 -2.17 114.58 120.44 3iqf h GLU 111 Ca 0.29 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3iqf h GLU 111 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3iqf h GLU 111 CO -0.04 0.62 0.00 1.04 -0.73 0.00 0.00 179.01 179.90 3iqf n GLN 112 N -4.01 0.04 -1.59 1.92 6.02 0.57 -4.90 117.38 115.43 3iqf n GLN 112 Ca -0.02 0.21 -0.08 0.00 -0.01 0.00 0.00 57.00 57.10 3iqf n GLN 112 Cb 0.49 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.23 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 0.14 0.62 3.86 1.08 0.00 -0.81 -4.75 105.19 105.33 3iqf n GLY 113 Ca 0.04 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.02 4.41 0.69 0.99 1.43 -0.60 -4.76 118.68 118.81 3iqf s LEU 114 Ca 0.00 0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 53.76 3iqf s LEU 114 Cb 0.00 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.59 3iqf s LEU 114 CO 0.00 0.28 1.08 -0.83 0.23 0.00 0.00 176.35 177.11 3iqf s GLY 115 N -1.37 1.86 0.07 -3.19 0.00 -0.30 -4.38 107.32 100.01 3iqf s GLY 115 Ca 0.26 0.28 -0.13 0.00 0.00 0.00 0.00 44.72 45.13 3iqf s GLY 115 CO 0.14 0.61 0.30 -2.52 0.00 0.00 0.00 173.10 171.62 3iqf s TYR 116 N -2.75 -0.07 -0.21 1.90 1.13 0.63 -1.07 117.35 116.91 3iqf s TYR 116 Ca 0.62 -0.15 -0.03 0.00 -1.41 0.00 0.00 57.07 56.09 3iqf s TYR 116 Cb -0.16 0.09 0.07 0.00 -1.10 0.00 0.00 41.96 40.86 3iqf s TYR 116 CO 0.49 -0.54 0.07 0.42 -2.51 0.00 0.00 175.55 173.47 3iqf s ILE 117 N -3.01 0.35 -0.29 -3.49 1.01 -0.07 -0.62 121.20 115.09 3iqf s ILE 117 Ca -0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 3iqf s ILE 117 Cb 0.01 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 3iqf s ILE 117 CO -0.06 -0.34 0.12 -0.76 0.00 0.00 0.00 174.94 173.90 3iqf s LEU 118 N 1.92 3.86 -0.44 2.97 1.43 0.39 -1.54 118.68 127.28 3iqf s LEU 118 Ca 0.02 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.61 3iqf s LEU 118 Cb -0.17 -1.97 0.10 0.00 0.03 0.00 0.00 46.19 44.18 3iqf s LEU 118 CO -0.13 -0.14 0.30 -0.69 0.23 0.00 0.00 176.35 175.91 3iqf s VAL 119 N 1.61 4.17 0.21 -1.59 1.01 -0.12 -0.57 120.40 125.12 3iqf s VAL 119 Ca 0.05 -1.61 -0.10 0.00 0.00 0.00 0.00 61.98 60.32 3iqf s VAL 119 Cb -0.16 -3.65 0.15 0.00 0.00 0.00 0.00 36.38 32.72 3iqf s VAL 119 CO 0.05 -0.64 1.84 0.11 0.00 0.00 0.00 175.10 176.47 3iqf h LYS 120 N 8.41 1.04 0.00 2.72 1.57 -1.28 -2.23 116.57 126.80 3iqf h LYS 120 Ca -0.22 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3iqf h LYS 120 Cb 1.08 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3iqf h LYS 120 CO 0.80 0.75 0.00 -2.30 -0.57 0.00 0.00 179.45 178.13 3iqf n PRO 121 N -4.48 0.45 -2.17 3.15 -0.02 -1.26 -4.24 135.00 126.43 3iqf n PRO 121 Ca 0.07 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 3iqf n PRO 121 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.10 4.52 -4.76 2.55 -0.08 -0.84 -4.40 116.55 112.44 3iqf n ASP 122 Ca 0.12 -2.94 -0.39 0.00 -1.51 0.00 0.00 54.79 50.07 3iqf n ASP 122 Cb 0.09 -1.62 -0.06 0.00 2.34 0.00 0.00 41.12 41.86 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 2.54 3.30 0.29 -1.67 0.00 -1.26 -4.74 121.76 120.22 3iqf s ALA 123 Ca 0.46 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 3iqf s ALA 123 Cb 0.09 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.88 3iqf s ALA 123 CO -0.02 0.20 1.34 -0.12 0.00 0.00 0.00 175.76 177.15 3iqf n MET 124 N 1.21 2.07 -2.18 0.00 1.56 -1.26 -4.91 117.12 113.61 3iqf n MET 124 Ca -0.01 0.73 -0.27 0.00 -0.27 0.00 0.00 57.70 57.88 3iqf n MET 124 Cb 0.48 -2.34 0.16 0.00 2.15 0.00 0.00 33.22 33.67 3iqf n MET 124 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 3iqf s LEU 125 N -0.46 2.81 -1.26 -0.89 0.05 -1.26 -4.49 118.68 113.19 3iqf s LEU 125 Ca 0.61 0.00 -0.14 0.00 0.05 0.00 0.00 54.13 54.66 3iqf s LEU 125 Cb -0.61 -2.13 0.14 0.00 -2.05 0.00 0.00 46.19 41.54 3iqf s LEU 125 CO 0.56 -2.44 1.62 0.61 -0.55 0.00 0.00 176.35 176.16 3iqf n GLY 126 N -3.43 3.53 2.72 -3.48 0.00 -1.26 -4.85 105.19 98.42 3iqf n GLY 126 Ca 0.15 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 5.89 5.89 -2.78 4.61 0.00 -1.26 -4.22 120.51 128.63 3iqf n ALA 127 Ca 0.41 -4.20 -0.32 0.00 0.00 0.00 0.00 53.44 49.32 3iqf n ALA 127 Cb 0.42 -2.96 -0.15 0.00 0.00 0.00 0.00 19.45 16.76 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 0.12 2.79 0.49 0.00 1.81 -1.26 -4.95 118.95 117.94 3iqf s ARG 128 Ca 0.45 -0.79 0.21 0.00 -1.72 0.00 0.00 55.73 53.88 3iqf s ARG 128 Cb 0.13 -2.35 1.27 0.00 -0.45 0.00 0.00 34.95 33.54 3iqf s ARG 128 CO -0.03 0.39 1.97 -0.09 -0.68 0.00 0.00 175.30 176.86 3iqf h ARG 129 N 6.08 0.15 0.00 3.54 2.43 -1.89 0.13 114.38 124.82 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 1.18 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3iqf h ARG 129 CO 0.50 0.10 0.00 0.93 -1.51 0.00 0.00 179.97 179.99 3iqf h GLU 130 N 0.15 0.00 0.00 0.20 3.07 -1.96 -3.35 114.58 112.69 3iqf h GLU 130 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3iqf h GLU 130 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3iqf h GLU 130 CO -0.04 0.00 -1.00 0.34 -1.40 0.00 0.00 179.01 176.91 3iqf n PHE 131 N -2.69 0.00 -2.97 4.33 7.35 -0.79 -4.98 117.46 117.69 3iqf n PHE 131 Ca 0.01 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.26 3iqf n PHE 131 Cb 0.24 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.04 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 -5.58 5.02 0.63 -2.13 2.96 0.39 -4.83 118.68 115.14 3iqf s LEU 132 Ca 0.00 -1.57 0.08 0.00 -0.22 0.00 0.00 54.13 52.42 3iqf s LEU 132 Cb 0.00 -2.37 0.11 0.00 0.50 0.00 0.00 46.19 44.43 3iqf s LEU 132 CO 0.00 -1.18 0.87 1.51 -1.32 0.00 0.00 176.35 176.23 3iqf s ASP 133 N 3.57 4.84 0.23 3.68 -4.77 -1.26 -4.68 116.67 118.27 3iqf s ASP 133 Ca 0.23 -0.83 -0.06 0.00 -3.30 0.00 0.00 52.55 48.58 3iqf s ASP 133 Cb -0.14 0.41 0.35 0.00 -1.09 0.00 0.00 42.92 42.45 3iqf s ASP 133 CO 0.01 -1.55 1.78 -0.65 0.70 0.00 0.00 175.17 175.46 3iqf h PRO 134 N -0.04 0.60 0.14 2.11 0.11 -1.99 -0.71 132.00 132.22 3iqf h PRO 134 Ca -0.29 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 3iqf h PRO 134 Cb 1.28 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3iqf h PRO 134 CO 0.39 0.40 -0.07 0.28 -0.21 0.00 0.00 178.00 178.80 3iqf h VAL 135 N 0.62 0.89 -0.83 3.15 2.07 -1.98 -0.59 116.25 119.57 3iqf h VAL 135 Ca 0.36 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.80 3iqf h VAL 135 Cb 0.38 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3iqf h VAL 135 CO -0.27 0.02 0.52 -0.08 0.02 0.00 0.00 177.57 177.78 3iqf h GLU 136 N -0.22 1.12 -0.91 1.57 4.57 -1.83 0.58 114.58 119.46 3iqf h GLU 136 Ca -0.02 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3iqf h GLU 136 Cb 0.17 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 3iqf h GLU 136 CO 0.03 0.76 0.60 1.98 -1.18 0.00 0.00 179.01 181.21 3iqf h MET 137 N 1.14 1.18 -0.20 1.92 4.05 -0.87 -1.08 114.93 121.07 3iqf h MET 137 Ca 0.30 -0.07 -0.17 0.00 -0.28 0.00 0.00 59.70 59.49 3iqf h MET 137 Cb -0.08 -0.27 -0.00 0.00 -0.80 0.00 0.00 31.60 30.45 3iqf h MET 137 CO -0.06 0.78 -0.56 0.00 0.23 0.00 0.00 176.91 177.31 3iqf h ALA 138 N 1.34 0.65 -0.37 0.39 0.00 -0.37 -1.93 119.26 118.98 3iqf h ALA 138 Ca 0.34 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3iqf h ALA 138 Cb -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3iqf h ALA 138 CO -0.08 0.69 0.12 0.82 0.00 0.00 0.00 179.25 180.79 3iqf h ILE 139 N 0.47 1.21 -0.26 0.00 2.04 -0.50 -0.11 117.51 120.36 3iqf h ILE 139 Ca 0.01 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.19 3iqf h ILE 139 Cb 1.11 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3iqf h ILE 139 CO 0.11 0.24 0.17 0.22 0.00 0.00 0.00 178.15 178.88 3iqf h TYR 140 N 0.44 0.31 -0.61 1.37 3.20 -1.13 -1.88 116.97 118.67 3iqf h TYR 140 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 3iqf h TYR 140 Cb 0.25 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3iqf h TYR 140 CO 0.01 0.19 0.40 -0.91 -1.64 0.00 0.00 178.16 176.21 3iqf h ASN 141 N 0.34 0.59 -0.28 -2.11 2.35 -1.06 -0.35 115.58 115.06 3iqf h ASN 141 Ca 0.10 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3iqf h ASN 141 Cb -0.03 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3iqf h ASN 141 CO -0.03 0.40 0.03 0.00 -1.65 0.00 0.00 177.43 176.19 3iqf h ALA 142 N 1.65 0.38 -0.52 -0.83 0.00 -0.51 -0.51 119.26 118.92 3iqf h ALA 142 Ca 0.25 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3iqf h ALA 142 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3iqf h ALA 142 CO -0.07 0.08 0.09 -0.44 0.00 0.00 0.00 179.25 178.91 3iqf h ASP 143 N 0.29 0.82 -0.52 0.00 3.32 -0.90 -1.81 116.42 117.61 3iqf h ASP 143 Ca 0.08 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3iqf h ASP 143 Cb 0.36 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3iqf h ASP 143 CO 0.01 0.87 0.24 0.25 -1.72 0.00 0.00 179.24 178.88 3iqf h LEU 144 N 0.74 0.69 -0.84 1.55 5.85 -1.06 -0.74 115.31 121.50 3iqf h LEU 144 Ca 0.16 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3iqf h LEU 144 Cb 0.40 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3iqf h LEU 144 CO 0.01 0.64 0.54 -0.03 -0.34 0.00 0.00 178.44 179.26 3iqf h MET 145 N 0.69 1.11 -0.36 1.25 4.05 -1.03 0.27 114.93 120.92 3iqf h MET 145 Ca 0.18 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 59.53 3iqf h MET 145 Cb 0.14 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 3iqf h MET 145 CO -0.02 0.75 0.22 -0.22 0.23 0.00 0.00 176.91 177.87 3iqf h LYS 146 N 1.14 0.44 0.05 0.39 1.63 -0.96 0.12 116.57 119.37 3iqf h LYS 146 Ca 0.30 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.08 3iqf h LYS 146 Cb -0.11 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.42 3iqf h LYS 146 CO -0.06 0.29 -0.02 0.28 -3.45 0.00 0.00 179.45 176.49 3iqf h VAL 147 N 0.46 0.97 -0.17 2.00 2.07 -0.62 0.53 116.25 121.49 3iqf h VAL 147 Ca 0.14 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.50 3iqf h VAL 147 Cb -0.03 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3iqf h VAL 147 CO -0.05 0.01 -0.34 -0.07 0.02 0.00 0.00 177.57 177.15 3iqf h LEU 148 N -0.09 0.36 0.45 2.57 3.38 -0.74 -2.29 115.31 118.96 3iqf h LEU 148 Ca -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3iqf h LEU 148 Cb 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3iqf h LEU 148 CO 0.01 0.69 -0.22 0.00 0.09 0.00 0.00 178.44 179.01 3iqf h ALA 149 N 1.34 -0.61 0.00 1.53 0.00 -0.74 -1.61 119.26 119.16 3iqf h ALA 149 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iqf h ALA 149 Cb 0.75 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3iqf h ALA 149 CO 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 178.74 3iqf h ALA 150 N -1.17 1.00 0.00 0.00 0.00 -0.87 -1.85 119.26 116.37 3iqf h ALA 150 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iqf h ALA 150 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3iqf h ALA 150 CO 0.10 0.00 -0.07 0.25 0.00 0.00 0.00 179.25 179.53 3iqf n THR 151 N -2.86 0.32 -0.15 0.00 -2.24 -0.86 -4.75 114.28 103.74 3iqf n THR 151 Ca 0.03 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3iqf n THR 151 Cb 0.38 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 1.39 0.59 0.17 3.38 0.00 -0.69 -4.97 105.19 105.07 3iqf n GLY 152 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 0.88 0.00 1.61 2.07 -1.61 -1.82 116.25 117.38 3iqf h VAL 153 Ca 0.00 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3iqf h VAL 153 Cb 0.00 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3iqf h VAL 153 CO 0.00 0.06 -0.09 -0.26 0.02 0.00 0.00 177.57 177.29 3iqf h PHE 154 N 0.31 0.00 -0.27 1.57 0.05 -1.57 -0.61 116.94 116.42 3iqf h PHE 154 Ca 0.19 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.86 3iqf h PHE 154 Cb 0.17 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.11 3iqf h PHE 154 CO -0.15 0.09 -0.33 -0.09 -0.18 0.00 0.00 178.31 177.65 3iqf h ARG 155 N 0.00 0.58 -0.41 1.51 2.43 -1.63 0.21 114.38 117.07 3iqf h ARG 155 Ca -0.00 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3iqf h ARG 155 Cb 0.17 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3iqf h ARG 155 CO 0.01 0.84 0.23 0.28 -1.51 0.00 0.00 179.97 179.82 3iqf h VAL 156 N 0.49 1.02 -0.22 0.20 2.07 -0.69 -0.85 116.25 118.27 3iqf h VAL 156 Ca 0.05 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3iqf h VAL 156 Cb 0.82 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3iqf h VAL 156 CO 0.07 0.08 0.03 0.58 0.02 0.00 0.00 177.57 178.35 3iqf h VAL 157 N 0.46 1.23 -0.39 2.57 2.07 -1.20 -2.10 116.25 118.90 3iqf h VAL 157 Ca 0.17 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 66.98 3iqf h VAL 157 Cb 0.03 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3iqf h VAL 157 CO -0.09 0.24 -0.03 -0.61 0.02 0.00 0.00 177.57 177.10 3iqf h GLN 158 N 0.16 0.07 -0.86 1.57 4.15 -0.46 -2.12 115.11 117.62 3iqf h GLN 158 Ca 0.07 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3iqf h GLN 158 Cb 0.34 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 3iqf h GLN 158 CO 0.01 0.04 0.51 0.93 -1.93 0.00 0.00 178.83 178.39 3iqf h GLU 159 N 0.07 1.17 -0.49 1.69 5.08 -1.04 0.90 114.58 121.96 3iqf h GLU 159 Ca 0.19 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3iqf h GLU 159 Cb 0.28 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3iqf h GLU 159 CO -0.34 0.83 0.12 0.00 -1.00 0.00 0.00 179.01 178.61 3iqf h ALA 160 N 1.28 0.65 -0.09 3.43 0.00 -1.03 -1.09 119.26 122.40 3iqf h ALA 160 Ca 0.31 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3iqf h ALA 160 Cb -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3iqf h ALA 160 CO -0.06 0.34 -0.76 0.74 0.00 0.00 0.00 179.25 179.52 3iqf h PHE 161 N 0.67 0.68 -0.76 0.00 -1.00 -1.26 -2.35 116.94 112.92 3iqf h PHE 161 Ca 0.15 -0.31 -0.01 0.00 2.81 0.00 0.00 57.97 60.62 3iqf h PHE 161 Cb 0.33 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.75 3iqf h PHE 161 CO 0.02 1.09 0.43 -0.44 -1.61 0.00 0.00 178.31 177.80 3iqf h ASP 162 N 0.34 0.93 -0.51 2.17 3.45 -0.66 0.47 116.42 122.61 3iqf h ASP 162 Ca -0.04 -0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.32 3iqf h ASP 162 Cb 1.35 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.86 3iqf h ASP 162 CO 0.14 0.74 0.21 -0.33 -1.57 0.00 0.00 179.24 178.43 3iqf h GLU 163 N 1.06 0.76 -0.72 3.56 5.08 -1.10 -1.49 114.58 121.73 3iqf h GLU 163 Ca 0.27 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3iqf h GLU 163 Cb 0.00 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3iqf h GLU 163 CO -0.05 0.67 0.26 1.25 -1.00 0.00 0.00 179.01 180.14 3iqf h LEU 164 N 0.69 1.02 -0.77 1.33 5.85 -0.83 -2.28 115.31 120.31 3iqf h LEU 164 Ca 0.17 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3iqf h LEU 164 Cb 0.18 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3iqf h LEU 164 CO -0.02 0.93 0.15 0.40 -0.34 0.00 0.00 178.44 179.56 3iqf h ILE 165 N 1.05 1.26 -0.70 4.05 2.04 -0.72 0.69 117.51 125.17 3iqf h ILE 165 Ca 0.24 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3iqf h ILE 165 Cb 0.25 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3iqf h ILE 165 CO -0.01 0.37 0.27 -0.33 0.00 0.00 0.00 178.15 178.44 3iqf h GLU 166 N 1.02 1.04 -0.20 2.37 4.39 -1.00 -1.95 114.58 120.25 3iqf h GLU 166 Ca 0.21 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3iqf h GLU 166 Cb 0.38 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3iqf h GLU 166 CO 0.00 0.85 0.08 0.87 -1.16 0.00 0.00 179.01 179.66 3iqf h LYS 167 N 1.01 0.29 -0.77 2.33 1.79 -0.86 -2.98 116.57 117.39 3iqf h LYS 167 Ca 0.23 -0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.79 3iqf h LYS 167 Cb 0.21 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.76 3iqf h LYS 167 CO -0.02 0.34 0.51 0.00 -1.08 0.00 0.00 179.45 179.20 3iqf h ALA 168 N 0.93 2.00 0.00 3.86 0.00 -0.57 -0.20 119.26 125.29 3iqf h ALA 168 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iqf h ALA 168 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iqf h ALA 168 CO -0.01 -0.20 0.00 1.63 0.00 0.00 0.00 179.25 180.67 3iqf n LYS 169 N -4.50 0.07 -1.17 0.00 5.02 -0.76 -0.56 118.16 116.26 3iqf n LYS 169 Ca 0.14 0.13 -0.07 0.00 -2.02 0.00 0.00 58.31 56.50 3iqf n LYS 169 Cb 0.47 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.45 2.39 0.00 1.97 0.28 -0.12 -4.07 120.64 119.64 3iqf n GLU 170 Ca 0.06 -3.63 0.00 0.00 -0.16 0.00 0.00 57.16 53.43 3iqf n GLU 170 Cb 0.23 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.20 3iqf n GLU 170 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3iqf n ASP 171 N -0.96 0.00 -3.19 -1.84 4.64 0.27 -4.76 116.55 110.71 3iqf n ASP 171 Ca 0.30 0.00 -0.36 0.00 -1.38 0.00 0.00 54.79 53.35 3iqf n ASP 171 Cb 0.82 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.86 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 3.53 -2.33 -0.67 4.71 -1.26 -4.87 120.64 119.77 3iqf n GLU 172 Ca 0.00 -2.08 -0.41 0.00 -0.01 0.00 0.00 57.16 54.66 3iqf n GLU 172 Cb 0.00 -2.72 -0.03 0.00 -1.01 0.00 0.00 31.44 27.68 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 2.08 3.68 0.43 -3.67 1.01 -1.26 -4.94 121.20 118.52 3iqf s ILE 173 Ca 0.69 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.96 3iqf s ILE 173 Cb 0.19 -4.37 0.01 0.00 0.01 0.00 0.00 42.46 38.31 3iqf s ILE 173 CO -0.05 -1.17 0.59 -0.94 0.00 0.00 0.00 174.94 173.36 3iqf s SER 174 N 5.11 5.63 0.30 3.58 1.04 -1.26 -4.92 113.70 123.18 3iqf s SER 174 Ca 0.54 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.61 3iqf s SER 174 Cb -0.11 -0.68 0.59 0.00 0.10 0.00 0.00 66.02 65.92 3iqf s SER 174 CO 0.23 -0.79 1.85 -0.08 0.98 0.00 0.00 173.24 175.43 3iqf h GLU 175 N 0.59 0.93 0.00 4.02 4.81 -1.93 -1.70 114.58 121.30 3iqf h GLU 175 Ca -0.40 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 3iqf h GLU 175 Cb 1.28 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 3iqf h GLU 175 CO 0.46 0.61 -0.09 -0.91 -0.73 0.00 0.00 179.01 178.35 3iqf h ASN 176 N 0.95 0.00 1.54 1.04 2.35 -1.97 -1.96 115.58 117.53 3iqf h ASN 176 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 3iqf h ASN 176 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3iqf h ASN 176 CO -0.24 0.09 0.00 0.44 -1.65 0.00 0.00 177.43 176.07 3iqf h ASP 177 N 0.00 0.00 -3.65 5.81 3.45 -1.68 -3.46 116.42 116.89 3iqf h ASP 177 Ca -0.00 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.95 3iqf h ASP 177 Cb 0.23 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 3iqf h ASP 177 CO 0.01 0.00 0.38 -0.76 -1.57 0.00 0.00 179.24 177.30 3iqf s LEU 178 N -5.48 4.56 0.56 1.55 1.43 -0.74 -4.84 118.68 115.72 3iqf s LEU 178 Ca 0.07 1.93 -0.21 0.00 -1.03 0.00 0.00 54.13 54.89 3iqf s LEU 178 Cb 0.08 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3iqf s LEU 178 CO 0.60 -0.01 1.35 -2.16 0.23 0.00 0.00 176.35 176.35 3iqf s PRO 179 N -0.60 3.05 -0.43 1.29 0.04 -1.26 -4.81 135.00 132.28 3iqf s PRO 179 Ca 0.45 2.20 0.05 0.00 0.04 0.00 0.00 61.00 63.74 3iqf s PRO 179 Cb -0.26 -2.19 0.18 0.00 0.04 0.00 0.00 34.50 32.27 3iqf s PRO 179 CO 0.32 -1.25 0.37 1.63 0.04 0.00 0.00 177.00 178.12 3iqf n LYS 180 N -1.16 0.37 -5.16 4.56 5.02 -1.19 -0.27 118.16 120.33 3iqf n LYS 180 Ca 0.11 -3.28 -0.32 0.00 -2.02 0.00 0.00 58.31 52.80 3iqf n LYS 180 Cb 0.46 -1.67 -0.15 0.00 -0.02 0.00 0.00 35.03 33.65 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 -0.20 2.30 -0.20 -0.35 1.43 0.21 -4.97 118.68 116.89 3iqf s LEU 181 Ca 0.33 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3iqf s LEU 181 Cb 0.05 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 44.89 3iqf s LEU 181 CO -0.19 0.33 -0.12 -0.69 0.23 0.00 0.00 176.35 175.91 3iqf s VAL 182 N -0.64 1.82 -0.18 -1.59 1.01 -1.26 -0.46 120.40 119.09 3iqf s VAL 182 Ca 0.10 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 3iqf s VAL 182 Cb -0.10 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3iqf s VAL 182 CO -0.00 0.22 -0.01 -0.63 0.00 0.00 0.00 175.10 174.68 3iqf s ILE 183 N 1.33 4.07 0.13 2.22 1.01 0.26 -4.93 121.20 125.29 3iqf s ILE 183 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3iqf s ILE 183 Cb -0.16 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.50 3iqf s ILE 183 CO -0.09 0.46 0.17 -0.90 0.00 0.00 0.00 174.94 174.58 3iqf n ASP 184 N 3.82 -0.46 -0.30 3.58 5.68 -1.26 -0.82 116.55 126.78 3iqf n ASP 184 Ca -0.17 -1.74 0.11 0.00 -0.50 0.00 0.00 54.79 52.49 3iqf n ASP 184 Cb 0.52 0.89 0.24 0.00 -1.14 0.00 0.00 41.12 41.63 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 0.08 0.00 0.11 2.43 -1.88 -0.41 114.38 114.72 3iqf h ARG 185 Ca -0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3iqf h ARG 185 Cb 0.45 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3iqf h ARG 185 CO 0.14 0.06 0.00 0.09 -1.51 0.00 0.00 179.97 178.74 3iqf n ASN 186 N -5.38 0.30 -0.02 -3.80 3.02 -1.26 -2.67 115.26 105.45 3iqf n ASN 186 Ca 0.19 0.56 0.08 0.00 -0.03 0.00 0.00 54.58 55.39 3iqf n ASN 186 Cb 0.63 -0.63 0.48 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.99 0.00 3.41 2.02 -1.42 -1.65 112.91 116.25 3iqf h THR 187 Ca 0.00 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 3iqf h THR 187 Cb 0.38 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3iqf h THR 187 CO 0.00 0.08 -0.07 -0.07 0.37 0.00 0.00 175.52 175.83 3iqf h LEU 188 N 0.43 0.00 -1.01 2.58 3.38 -1.66 -2.42 115.31 116.61 3iqf h LEU 188 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3iqf h LEU 188 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3iqf h LEU 188 CO -0.05 0.07 0.00 -0.07 0.09 0.00 0.00 178.44 178.48 3iqf h LEU 189 N 0.00 0.00 -3.07 1.67 3.38 -1.50 -2.70 115.31 113.09 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3iqf h LEU 189 CO 0.01 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.70 3iqf n GLU 190 N -2.60 3.23 -4.59 1.13 0.28 -0.91 -4.99 120.64 112.18 3iqf n GLU 190 Ca 0.02 -2.60 -0.30 0.00 -0.16 0.00 0.00 57.16 54.11 3iqf n GLU 190 Cb 0.27 -1.67 -0.08 0.00 1.43 0.00 0.00 31.44 31.39 3iqf n GLU 190 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3iqf s ARG 191 N -1.78 2.12 -0.23 3.44 0.52 -1.02 -5.05 118.95 116.95 3iqf s ARG 191 Ca 0.40 -2.22 0.12 0.00 -0.52 0.00 0.00 55.73 53.51 3iqf s ARG 191 Cb 0.26 -1.65 0.45 0.00 0.52 0.00 0.00 34.95 34.53 3iqf s ARG 191 CO 0.18 -0.25 1.19 -1.91 0.02 0.00 0.00 175.30 174.54 3iqf n GLU 192 N -1.19 2.35 -0.07 3.54 4.07 -1.26 -4.86 120.64 123.21 3iqf n GLU 192 Ca -0.11 -3.59 -0.08 0.00 -0.06 0.00 0.00 57.16 53.32 3iqf n GLU 192 Cb 0.67 -1.76 -0.01 0.00 -0.06 0.00 0.00 31.44 30.28 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 1.70 0.29 -5.26 5.31 4.57 -1.97 -3.43 114.58 115.79 3iqf h GLU 193 Ca 0.12 -0.02 -0.63 0.00 -1.18 0.00 0.00 59.36 57.66 3iqf h GLU 193 Cb 1.35 -0.06 -0.19 0.00 -0.16 0.00 0.00 28.75 29.68 3iqf h GLU 193 CO 0.36 0.19 -0.62 -0.06 -1.18 0.00 0.00 179.01 177.70 3iqf s PHE 194 N -6.17 3.12 0.17 0.92 0.08 -1.26 -4.63 117.98 110.21 3iqf s PHE 194 Ca -0.13 -0.16 -0.08 0.00 0.12 0.00 0.00 56.93 56.69 3iqf s PHE 194 Cb 0.10 -2.03 0.04 0.00 -0.57 0.00 0.00 43.02 40.56 3iqf s PHE 194 CO 0.70 0.02 1.51 1.49 -0.10 0.00 0.00 175.22 178.84 3iqf h GLU 195 N 6.82 0.82 -5.59 0.44 4.22 -1.83 -3.44 114.58 116.01 3iqf h GLU 195 Ca -0.34 -0.43 -0.58 0.00 0.08 0.00 0.00 59.36 58.08 3iqf h GLU 195 Cb 1.18 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.35 3iqf h GLU 195 CO 0.66 1.07 -0.24 1.21 -2.18 0.00 0.00 179.01 179.52 3iqf s ASN 196 N -6.85 6.54 0.45 1.04 2.47 -1.26 -4.98 114.94 112.35 3iqf s ASN 196 Ca -0.10 0.64 0.21 0.00 0.42 0.00 0.00 52.86 54.03 3iqf s ASN 196 Cb 0.11 -2.23 1.06 0.00 -1.45 0.00 0.00 41.25 38.74 3iqf s ASN 196 CO 0.86 0.05 1.92 1.55 -3.72 0.00 0.00 177.10 177.76 3iqf h PRO 197 N 6.73 0.00 0.02 0.43 0.13 -2.00 -2.52 132.00 134.78 3iqf h PRO 197 Ca -0.41 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.51 3iqf h PRO 197 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3iqf h PRO 197 CO 0.76 0.24 -0.94 1.88 -0.23 0.00 0.00 178.00 179.71 3iqf h TYR 198 N 0.00 0.35 -0.20 1.56 0.05 -1.98 -1.76 116.97 114.99 3iqf h TYR 198 Ca -0.00 -0.20 0.02 0.00 0.05 0.00 0.00 58.73 58.59 3iqf h TYR 198 Cb 0.56 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 3iqf h TYR 198 CO 0.00 1.04 0.07 0.00 -1.05 0.00 0.00 178.16 178.22 3iqf h ALA 199 N 0.89 0.23 -0.65 3.88 0.00 -1.78 0.20 119.26 122.02 3iqf h ALA 199 Ca -0.06 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3iqf h ALA 199 Cb 1.59 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 3iqf h ALA 199 CO 0.15 -0.35 0.33 1.98 0.00 0.00 0.00 179.25 181.36 3iqf h MET 200 N 0.17 0.58 0.00 0.00 1.85 -1.26 -0.82 114.93 115.45 3iqf h MET 200 Ca 0.09 -0.03 -0.15 0.00 -0.61 0.00 0.00 59.70 59.00 3iqf h MET 200 Cb 0.05 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.93 3iqf h MET 200 CO -0.08 0.38 -0.70 -0.39 -0.40 0.00 0.00 176.91 175.72 3iqf h VAL 201 N 0.59 1.39 -0.51 -5.77 -1.51 -1.05 -0.51 116.25 108.89 3iqf h VAL 201 Ca 0.31 -2.48 -0.04 0.00 -1.23 0.00 0.00 66.70 63.25 3iqf h VAL 201 Cb 0.27 2.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.78 3iqf h VAL 201 CO -0.22 0.68 0.15 0.11 -1.23 0.00 0.00 177.57 177.06 3iqf h LYS 202 N 0.00 0.80 -0.53 5.19 1.57 -0.81 -1.03 116.57 121.76 3iqf h LYS 202 Ca -0.01 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 3iqf h LYS 202 Cb 1.32 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3iqf h LYS 202 CO 0.09 0.75 0.01 0.00 -0.57 0.00 0.00 179.45 179.73 3iqf h ALA 203 N 1.01 1.02 -0.52 3.86 0.00 -0.78 -1.05 119.26 122.79 3iqf h ALA 203 Ca 0.16 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3iqf h ALA 203 Cb 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3iqf h ALA 203 CO -0.00 0.61 0.09 0.52 0.00 0.00 0.00 179.25 180.47 3iqf h MET 204 N 0.83 0.86 -0.71 0.00 2.86 -1.01 -1.42 114.93 116.35 3iqf h MET 204 Ca 0.16 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3iqf h MET 204 Cb 0.48 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 3iqf h MET 204 CO 0.02 0.84 0.42 0.00 1.06 0.00 0.00 176.91 179.25 3iqf h ALA 205 N 0.98 0.94 -0.63 6.32 0.00 -1.00 0.50 119.26 126.38 3iqf h ALA 205 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3iqf h ALA 205 Cb 0.39 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3iqf h ALA 205 CO 0.01 0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.81 3iqf h ALA 206 N 1.34 0.81 -0.07 0.00 0.00 -0.82 -1.18 119.26 119.33 3iqf h ALA 206 Ca 0.30 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3iqf h ALA 206 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3iqf h ALA 206 CO -0.16 0.21 -0.54 -0.07 0.00 0.00 0.00 179.25 178.70 3iqf h LEU 207 N 0.84 0.23 -0.24 0.00 3.38 -0.84 -1.04 115.31 117.63 3iqf h LEU 207 Ca 0.24 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3iqf h LEU 207 Cb -0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3iqf h LEU 207 CO -0.06 0.73 0.03 -0.08 0.09 0.00 0.00 178.44 179.15 3iqf h GLU 208 N 0.16 0.40 -0.26 1.13 4.57 -0.56 -1.29 114.58 118.72 3iqf h GLU 208 Ca 0.00 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3iqf h GLU 208 Cb 1.00 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 3iqf h GLU 208 CO 0.08 0.54 0.11 0.82 -1.18 0.00 0.00 179.01 179.38 3iqf h ILE 209 N 0.20 1.17 -0.50 2.32 2.04 -1.05 -0.48 117.51 121.21 3iqf h ILE 209 Ca 0.07 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.48 3iqf h ILE 209 Cb 0.34 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3iqf h ILE 209 CO 0.01 0.17 0.21 0.00 0.00 0.00 0.00 178.15 178.54 3iqf h ALA 210 N 0.95 0.63 -0.97 1.87 0.00 -1.18 -0.95 119.26 119.62 3iqf h ALA 210 Ca 0.09 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3iqf h ALA 210 Cb 0.17 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3iqf h ALA 210 CO -0.01 -0.17 0.64 1.49 0.00 0.00 0.00 179.25 181.20 3iqf h GLU 211 N 0.41 1.24 0.00 0.00 4.81 -0.97 -2.23 114.58 117.84 3iqf h GLU 211 Ca 0.23 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3iqf h GLU 211 Cb 0.21 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3iqf h GLU 211 CO -0.21 0.82 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.77 3iqf h ASN 212 N 1.28 0.00 -1.01 1.04 2.35 -0.29 -2.76 115.58 116.18 3iqf h ASN 212 Ca 0.37 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 56.21 3iqf h ASN 212 Cb -0.09 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.21 3iqf h ASN 212 CO -0.10 0.21 0.64 0.58 -1.65 0.00 0.00 177.43 177.11 3iqf h VAL 213 N 0.00 1.01 -0.49 2.81 2.07 -0.55 -2.75 116.25 118.35 3iqf h VAL 213 Ca -0.00 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.23 3iqf h VAL 213 Cb 0.50 -0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 3iqf h VAL 213 CO 0.03 0.20 0.05 0.00 0.02 0.00 0.00 177.57 177.86 3iqf h ALA 214 N 1.50 0.51 -0.78 1.67 0.00 -1.56 0.75 119.26 121.34 3iqf h ALA 214 Ca 0.46 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 3iqf h ALA 214 Cb 0.32 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3iqf h ALA 214 CO -0.22 -0.35 0.38 -0.44 0.00 0.00 0.00 179.25 178.62 3iqf h ASP 215 N 0.17 1.00 -0.01 0.00 3.45 -1.64 0.66 116.42 120.06 3iqf h ASP 215 Ca 0.25 -0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.60 3iqf h ASP 215 Cb 0.35 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3iqf h ASP 215 CO -0.37 0.84 -0.00 0.58 -1.57 0.00 0.00 179.24 178.72 3iqf h VAL 216 N 1.10 1.29 -0.69 -1.35 2.07 -1.27 -1.11 116.25 116.30 3iqf h VAL 216 Ca 0.27 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.98 3iqf h VAL 216 Cb 0.10 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3iqf h VAL 216 CO -0.04 0.22 0.40 0.28 0.02 0.00 0.00 177.57 178.45 3iqf h SER 217 N -0.35 0.60 -0.57 0.57 0.02 -0.63 -1.06 113.55 112.13 3iqf h SER 217 Ca 0.00 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3iqf h SER 217 Cb 0.37 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3iqf h SER 217 CO 0.00 0.40 0.20 0.58 -1.14 0.00 0.00 176.83 176.86 3iqf h VAL 218 N 0.74 1.23 -0.35 2.27 2.07 -0.83 0.21 116.25 121.60 3iqf h VAL 218 Ca 0.30 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3iqf h VAL 218 Cb 0.15 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3iqf h VAL 218 CO -0.17 0.29 0.21 -0.08 0.02 0.00 0.00 177.57 177.85 3iqf h GLU 219 N 0.80 0.42 0.00 1.57 4.81 -0.84 0.71 114.58 122.05 3iqf h GLU 219 Ca 0.19 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 3iqf h GLU 219 Cb 0.26 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3iqf h GLU 219 CO -0.01 0.28 -0.50 0.78 -0.73 0.00 0.00 179.01 178.83 3iqf h GLY 220 N 0.43 0.00 0.66 1.92 0.00 -0.76 0.83 103.07 106.16 3iqf h GLY 220 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.17 3iqf h GLY 220 CO -0.05 0.00 -1.88 0.00 0.00 0.00 0.00 176.54 174.61 3iqf n PHE 222 N -2.91 0.00 0.02 0.00 3.72 0.23 -4.90 117.46 113.61 3iqf n PHE 222 Ca -0.20 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.18 3iqf n PHE 222 Cb 1.04 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.58 3iqf n PHE 222 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3iqf n VAL 223 N -0.98 1.22 -2.27 -4.37 0.31 -0.92 -5.02 118.33 106.29 3iqf n VAL 223 Ca 0.00 0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 64.26 3iqf n VAL 223 Cb 0.00 -1.70 -0.03 0.00 -0.91 0.00 0.00 33.84 31.20 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 -2.11 4.41 -0.00 5.55 2.56 0.24 -4.93 118.70 124.42 3iqf s GLU 224 Ca -0.05 1.98 0.08 0.00 0.00 0.00 0.00 54.97 56.97 3iqf s GLU 224 Cb 0.01 -3.24 -0.09 0.00 2.00 0.00 0.00 34.13 32.81 3iqf s GLU 224 CO 0.08 -0.25 0.29 1.04 -0.56 0.00 0.00 175.26 175.87 3iqf n GLN 225 N 3.01 3.58 -3.31 4.30 1.13 -1.26 -4.75 117.38 120.09 3iqf n GLN 225 Ca 0.07 -0.02 -0.40 0.00 -1.94 0.00 0.00 57.00 54.72 3iqf n GLN 225 Cb 0.44 -0.93 -0.08 0.00 0.11 0.00 0.00 30.24 29.77 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 -1.97 6.33 0.48 1.08 3.68 -1.26 -4.97 116.67 120.04 3iqf s ASP 226 Ca 0.02 0.33 0.25 0.00 2.13 0.00 0.00 52.55 55.27 3iqf s ASP 226 Cb 0.06 -2.25 1.21 0.00 -1.45 0.00 0.00 42.92 40.49 3iqf s ASP 226 CO 0.32 -0.27 1.97 0.07 0.13 0.00 0.00 175.17 177.40 3iqf h LYS 227 N 8.15 0.00 0.00 4.34 2.10 -1.97 0.46 116.57 129.65 3iqf h LYS 227 Ca -0.30 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.34 3iqf h LYS 227 Cb 1.15 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3iqf h LYS 227 CO 0.69 0.18 -0.04 0.93 -2.00 0.00 0.00 179.45 179.21 3iqf h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -2.18 114.58 115.54 3iqf h GLU 228 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3iqf h GLU 228 Cb 0.49 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 3iqf h GLU 228 CO 0.02 0.04 -2.30 0.54 -1.00 0.00 0.00 179.01 176.31 3iqf n ARG 229 N -3.33 0.52 0.14 2.33 1.74 0.54 -4.56 116.66 114.04 3iqf n ARG 229 Ca -0.02 0.19 0.01 0.00 -0.77 0.00 0.00 57.85 57.27 3iqf n ARG 229 Cb 0.18 -1.37 0.34 0.00 -1.02 0.00 0.00 32.46 30.60 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 -0.60 0.16 0.21 -1.55 -0.00 -0.25 -2.06 116.97 112.89 3iqf h TYR 230 Ca -0.57 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.12 3iqf h TYR 230 Cb 1.60 -0.04 0.00 0.00 -0.00 0.00 0.00 36.73 38.29 3iqf h TYR 230 CO -0.05 0.42 -0.10 0.28 -0.00 0.00 0.00 178.16 178.71 3iqf h VAL 231 N 0.13 0.87 -0.90 -0.90 2.07 -1.63 -0.73 116.25 115.16 3iqf h VAL 231 Ca 0.02 -0.61 0.17 0.00 0.82 0.00 0.00 66.70 67.10 3iqf h VAL 231 Cb 0.58 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 3iqf h VAL 231 CO 0.04 0.13 0.48 -0.65 0.02 0.00 0.00 177.57 177.60 3iqf h PRO 232 N -0.60 0.62 -0.16 1.57 0.11 -1.77 -1.39 132.00 130.38 3iqf h PRO 232 Ca -0.03 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3iqf h PRO 232 Cb 0.44 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3iqf h PRO 232 CO 0.05 0.41 0.06 0.82 -0.21 0.00 0.00 178.00 179.13 3iqf h ILE 233 N 0.64 1.16 -0.43 4.15 2.04 -1.04 0.16 117.51 124.18 3iqf h ILE 233 Ca 0.51 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 3iqf h ILE 233 Cb 0.77 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3iqf h ILE 233 CO -0.39 0.15 -0.02 -0.37 0.00 0.00 0.00 178.15 177.53 3iqf h VAL 234 N 0.09 1.24 -0.27 1.67 -1.51 -0.97 -2.32 116.25 114.18 3iqf h VAL 234 Ca 0.05 -0.99 -0.10 0.00 -1.23 0.00 0.00 66.70 64.44 3iqf h VAL 234 Cb 0.19 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 3iqf h VAL 234 CO -0.00 0.34 -0.25 0.00 -1.23 0.00 0.00 177.57 176.43 3iqf h ALA 235 N 1.31 1.06 -0.71 5.19 0.00 -0.92 -2.42 119.26 122.77 3iqf h ALA 235 Ca 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3iqf h ALA 235 Cb 0.45 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3iqf h ALA 235 CO 0.02 0.57 0.43 0.66 0.00 0.00 0.00 179.25 180.94 3iqf h SER 236 N 0.47 0.84 -0.87 0.00 4.64 -0.20 -2.29 113.55 116.14 3iqf h SER 236 Ca 0.07 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3iqf h SER 236 Cb 0.68 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 3iqf h SER 236 CO 0.05 0.64 0.49 0.00 -0.87 0.00 0.00 176.83 177.14 3iqf h ALA 237 N 1.50 1.22 -0.26 5.18 0.00 -0.93 -1.65 119.26 124.32 3iqf h ALA 237 Ca 0.26 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3iqf h ALA 237 Cb -0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3iqf h ALA 237 CO -0.05 0.64 -0.30 0.45 0.00 0.00 0.00 179.25 179.99 3iqf h HIS 238 N 1.22 0.62 -0.47 0.00 3.86 -1.30 -1.95 115.15 117.13 3iqf h HIS 238 Ca 0.31 -0.15 -0.08 0.00 -1.16 0.00 0.00 60.37 59.29 3iqf h HIS 238 Cb 0.01 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3iqf h HIS 238 CO 0.01 0.79 -0.02 0.93 0.86 0.00 0.00 177.93 180.49 3iqf h GLU 239 N 0.47 0.80 -0.49 2.45 4.39 -1.04 -1.40 114.58 119.74 3iqf h GLU 239 Ca 0.06 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 3iqf h GLU 239 Cb 0.76 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 3iqf h GLU 239 CO 0.06 0.82 0.24 0.52 -1.16 0.00 0.00 179.01 179.49 3iqf h MET 240 N 0.74 0.71 -0.79 2.33 2.86 -1.10 -2.41 114.93 117.27 3iqf h MET 240 Ca 0.14 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3iqf h MET 240 Cb 0.49 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3iqf h MET 240 CO 0.02 0.59 0.37 1.98 1.06 0.00 0.00 176.91 180.94 3iqf h MET 241 N 0.65 1.14 -0.70 1.72 1.85 -1.13 -0.77 114.93 117.69 3iqf h MET 241 Ca 0.17 -0.17 0.08 0.00 -0.61 0.00 0.00 59.70 59.17 3iqf h MET 241 Cb 0.11 -0.20 -0.07 0.00 0.43 0.00 0.00 31.60 31.87 3iqf h MET 241 CO -0.02 0.89 0.36 -0.09 -0.40 0.00 0.00 176.91 177.65 3iqf h ARG 242 N 1.12 0.61 -0.01 0.39 2.43 -1.15 -0.81 114.38 116.96 3iqf h ARG 242 Ca 0.27 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.26 3iqf h ARG 242 Cb 0.13 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3iqf h ARG 242 CO -0.03 0.40 -0.69 0.87 -1.51 0.00 0.00 179.97 179.01 3iqf h LYS 243 N 0.63 0.06 -0.82 0.20 1.79 -0.99 -2.41 116.57 115.02 3iqf h LYS 243 Ca 0.34 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.72 3iqf h LYS 243 Cb 0.32 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.95 3iqf h LYS 243 CO -0.25 0.72 0.38 0.00 -1.08 0.00 0.00 179.45 179.23 3iqf h ALA 244 N 1.26 1.11 -0.83 3.86 0.00 -0.75 -1.01 119.26 122.91 3iqf h ALA 244 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3iqf h ALA 244 Cb 1.22 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3iqf h ALA 244 CO 0.09 0.66 0.39 0.00 0.00 0.00 0.00 179.25 180.40 3iqf h ALA 245 N 1.23 1.14 -0.59 0.00 0.00 -0.97 -1.26 119.26 118.80 3iqf h ALA 245 Ca 0.28 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3iqf h ALA 245 Cb 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3iqf h ALA 245 CO -0.03 0.65 -0.02 0.93 0.00 0.00 0.00 179.25 180.78 3iqf h GLU 246 N 1.18 1.05 -0.54 0.00 5.08 -1.02 -0.04 114.58 120.28 3iqf h GLU 246 Ca 0.28 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3iqf h GLU 246 Cb 0.12 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3iqf h GLU 246 CO -0.04 1.04 0.27 -0.07 -1.00 0.00 0.00 179.01 179.21 3iqf h LEU 247 N 0.96 0.70 -0.70 1.33 3.38 -0.77 -0.22 115.31 119.99 3iqf h LEU 247 Ca 0.17 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iqf h LEU 247 Cb 0.57 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3iqf h LEU 247 CO 0.03 0.63 0.44 0.00 0.09 0.00 0.00 178.44 179.63 3iqf h ALA 248 N 1.11 0.89 -0.27 1.53 0.00 -1.03 -0.72 119.26 120.77 3iqf h ALA 248 Ca 0.19 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3iqf h ALA 248 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3iqf h ALA 248 CO -0.03 0.35 0.10 0.22 0.00 0.00 0.00 179.25 179.89 3iqf h ASP 249 N 0.95 0.13 -0.99 0.00 3.58 -0.70 -1.55 116.42 117.84 3iqf h ASP 249 Ca 0.25 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.78 3iqf h ASP 249 Cb -0.06 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.93 3iqf h ASP 249 CO -0.05 0.11 0.64 -0.08 -2.88 0.00 0.00 179.24 176.98 3iqf h GLU 250 N 0.23 1.15 -0.52 0.28 4.81 -0.77 0.03 114.58 119.80 3iqf h GLU 250 Ca 0.11 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3iqf h GLU 250 Cb 0.07 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3iqf h GLU 250 CO -0.11 0.76 0.08 0.00 -0.73 0.00 0.00 179.01 179.01 3iqf h ALA 251 N 1.45 0.69 -0.31 2.92 0.00 -0.67 -2.34 119.26 120.99 3iqf h ALA 251 Ca 0.41 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3iqf h ALA 251 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3iqf h ALA 251 CO -0.15 0.43 -0.18 -0.09 0.00 0.00 0.00 179.25 179.26 3iqf h ARG 252 N 0.74 0.57 -0.31 0.00 2.43 -0.28 -2.54 114.38 114.99 3iqf h ARG 252 Ca 0.16 -0.20 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 3iqf h ARG 252 Cb 0.41 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3iqf h ARG 252 CO 0.01 0.73 -0.21 0.93 -1.51 0.00 0.00 179.97 179.92 3iqf h GLU 253 N 0.51 0.58 -0.78 0.20 4.39 -0.88 -1.61 114.58 117.00 3iqf h GLU 253 Ca 0.08 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 3iqf h GLU 253 Cb 0.60 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 3iqf h GLU 253 CO 0.04 0.75 0.48 -0.07 -1.16 0.00 0.00 179.01 179.06 3iqf h LEU 254 N 0.52 0.92 -0.79 1.33 3.38 -1.03 -0.82 115.31 118.82 3iqf h LEU 254 Ca 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3iqf h LEU 254 Cb 0.65 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3iqf h LEU 254 CO 0.05 0.70 0.36 -0.33 0.09 0.00 0.00 178.44 179.31 3iqf h GLU 255 N 1.06 1.15 -0.86 1.13 4.39 -1.07 -2.49 114.58 117.89 3iqf h GLU 255 Ca 0.28 -0.18 0.07 0.00 0.34 0.00 0.00 59.36 59.87 3iqf h GLU 255 Cb -0.07 -0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 28.32 3iqf h GLU 255 CO -0.06 0.90 0.53 0.87 -1.16 0.00 0.00 179.01 180.10 3iqf h LYS 256 N 1.12 0.91 0.00 2.33 1.57 -1.07 -0.51 116.57 120.93 3iqf h LYS 256 Ca 0.27 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3iqf h LYS 256 Cb 0.15 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3iqf h LYS 256 CO -0.03 0.60 -0.12 0.66 -0.57 0.00 0.00 179.45 179.99 3iqf h SER 257 N 0.94 0.00 -0.68 0.86 4.64 -0.70 -0.93 113.55 117.67 3iqf h SER 257 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3iqf h SER 257 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3iqf h SER 257 CO -0.19 0.12 0.00 0.59 -0.87 0.00 0.00 176.83 176.48 3iqf n ASN 258 N -3.74 3.86 -3.92 4.97 3.02 -0.92 -4.97 115.26 113.57 3iqf n ASN 258 Ca -0.02 -2.02 -0.34 0.00 -0.03 0.00 0.00 54.58 52.17 3iqf n ASN 258 Cb 0.23 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 38.95 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 1.48 -3.06 -1.04 6.41 2.03 -0.36 -4.91 116.55 117.11 3iqf n ASP 259 Ca 0.23 -1.11 0.03 0.00 0.52 0.00 0.00 54.79 54.45 3iqf n ASP 259 Cb 0.61 -2.68 0.03 0.00 -0.72 0.00 0.00 41.12 38.36 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 -4.51 2.31 -2.12 -1.67 0.00 -0.25 -4.03 120.51 110.24 3iqf n ALA 260 Ca -0.18 -1.94 -0.43 0.00 0.00 0.00 0.00 53.44 50.89 3iqf n ALA 260 Cb 0.62 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.30 3.64 0.12 0.00 1.01 -1.13 -4.61 120.40 119.13 3iqf s VAL 261 Ca 0.22 0.67 -0.31 0.00 0.00 0.00 0.00 61.98 62.56 3iqf s VAL 261 Cb 0.25 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 3iqf s VAL 261 CO -0.10 -0.47 1.76 -0.22 0.00 0.00 0.00 175.10 176.07 3iqf s LEU 262 N 6.11 4.39 -0.05 3.92 2.96 -1.26 -4.31 118.68 130.44 3iqf s LEU 262 Ca 0.73 2.69 0.03 0.00 -0.22 0.00 0.00 54.13 57.36 3iqf s LEU 262 Cb -0.21 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.92 3iqf s LEU 262 CO 0.32 -0.96 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.14 3iqf s ARG 263 N 2.45 1.51 -0.51 1.98 0.52 -0.53 -5.02 118.95 119.35 3iqf s ARG 263 Ca 0.78 -0.42 0.07 0.00 -0.52 0.00 0.00 55.73 55.63 3iqf s ARG 263 Cb -0.45 -1.30 0.23 0.00 0.52 0.00 0.00 34.95 33.96 3iqf s ARG 263 CO 0.34 0.10 0.57 0.25 0.02 0.00 0.00 175.30 176.58 3iqf n THR 264 N 3.54 0.52 -1.95 0.02 -2.24 -1.26 -1.69 114.28 111.22 3iqf n THR 264 Ca -0.21 -4.44 -0.30 0.00 -2.27 0.00 0.00 64.05 56.84 3iqf n THR 264 Cb 0.53 -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 -1.50 2.92 0.06 -0.78 0.04 -1.23 -4.65 135.00 129.86 3iqf s PRO 265 Ca 0.35 0.42 -0.19 0.00 0.04 0.00 0.00 61.00 61.63 3iqf s PRO 265 Cb 0.13 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 3iqf s PRO 265 CO -0.09 -0.96 0.55 -1.01 0.04 0.00 0.00 177.00 175.53 3iqf s HIS 266 N -3.30 3.80 0.70 0.56 3.76 -1.26 -0.12 115.29 119.42 3iqf s HIS 266 Ca 0.57 1.25 -0.10 0.00 -0.15 0.00 0.00 55.06 56.63 3iqf s HIS 266 Cb -0.11 -2.48 0.02 0.00 1.11 0.00 0.00 32.58 31.12 3iqf s HIS 266 CO 0.51 0.59 1.07 0.00 -0.85 0.00 0.00 174.74 176.06 3iqf s ALA 267 N -1.09 2.95 0.53 -1.40 0.00 0.16 -4.90 121.76 118.01 3iqf s ALA 267 Ca 0.28 -0.47 0.22 0.00 0.00 0.00 0.00 51.96 52.00 3iqf s ALA 267 Cb -0.19 -2.93 1.39 0.00 0.00 0.00 0.00 23.12 21.39 3iqf s ALA 267 CO 0.18 -1.15 2.09 -1.35 0.00 0.00 0.00 175.76 175.54 3iqf h PRO 268 N -0.62 0.00 -0.15 0.00 0.11 -1.90 0.63 132.00 130.08 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3iqf h PRO 268 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3iqf n ASP 269 N -4.36 1.28 0.00 -2.05 5.75 -1.26 -0.05 116.55 115.86 3iqf n ASP 269 Ca 0.02 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 3iqf n ASP 269 Cb 0.31 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 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 1.02 3.43 3.66 6.12 0.00 0.21 -4.76 105.19 114.88 3iqf n GLY 270 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.78 1.93 -2.88 1.61 4.81 -1.26 -4.53 118.16 116.07 3iqf n LYS 271 Ca 0.00 0.68 -0.42 0.00 -0.87 0.00 0.00 58.31 57.70 3iqf n LYS 271 Cb 0.00 -2.29 -0.04 0.00 0.02 0.00 0.00 35.03 32.72 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 -0.38 4.75 0.61 3.15 1.01 -1.26 -0.67 120.40 127.61 3iqf s VAL 272 Ca 0.65 1.36 0.01 0.00 0.00 0.00 0.00 61.98 64.00 3iqf s VAL 272 Cb -0.65 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 31.61 3iqf s VAL 272 CO 0.53 -0.25 0.86 -0.76 0.00 0.00 0.00 175.10 175.48 3iqf s LEU 273 N 3.05 3.15 -0.01 3.92 1.43 0.83 -4.98 118.68 126.07 3iqf s LEU 273 Ca 0.35 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 3iqf s LEU 273 Cb -0.14 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.64 3iqf s LEU 273 CO 0.12 -1.42 0.23 -0.55 0.23 0.00 0.00 176.35 174.96 3iqf s SER 274 N -4.56 -0.10 0.13 2.29 0.15 -1.26 -3.56 113.70 106.79 3iqf s SER 274 Ca 0.61 -0.02 -0.24 0.00 0.70 0.00 0.00 55.95 56.99 3iqf s SER 274 Cb -0.08 0.28 0.07 0.00 -1.71 0.00 0.00 66.02 64.58 3iqf s SER 274 CO 0.41 -0.40 0.71 -1.59 1.20 0.00 0.00 173.24 173.57 3iqf s LYS 275 N -1.29 1.22 0.00 5.44 -2.85 -0.68 -1.17 119.74 120.41 3iqf s LYS 275 Ca -0.14 -0.51 0.00 0.00 -1.00 0.00 0.00 55.97 54.33 3iqf s LYS 275 Cb -0.06 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 3iqf s LYS 275 CO 0.03 -0.54 0.00 0.54 0.10 0.00 0.00 175.35 175.48 3iqf n ARG 276 N -0.36 0.00 -2.61 1.78 5.12 -1.26 -1.46 116.66 117.87 3iqf n ARG 276 Ca -0.12 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.41 3iqf n ARG 276 Cb 0.63 -0.68 -0.05 0.00 -1.16 0.00 0.00 32.46 31.20 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 -1.86 4.52 0.23 5.56 1.02 -1.26 -2.82 119.74 125.13 3iqf s LYS 277 Ca 0.00 1.56 -0.07 0.00 0.02 0.00 0.00 55.97 57.48 3iqf s LYS 277 Cb 0.00 -2.92 0.33 0.00 -0.52 0.00 0.00 37.83 34.72 3iqf s LYS 277 CO 0.00 0.17 1.80 0.35 -0.92 0.00 0.00 175.35 176.75 3iqf h PHE 278 N 3.32 0.75 -0.13 3.18 3.04 -1.91 -2.20 116.94 122.99 3iqf h PHE 278 Ca -0.47 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.51 3iqf h PHE 278 Cb 1.21 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.49 3iqf h PHE 278 CO 0.59 0.31 0.00 -1.33 -2.02 0.00 0.00 178.31 175.87 3iqf n MET 279 N -4.78 1.82 -2.50 1.11 2.81 -1.26 -4.89 117.12 109.43 3iqf n MET 279 Ca 0.11 -1.22 -0.42 0.00 -1.81 0.00 0.00 57.70 54.36 3iqf n MET 279 Cb 0.24 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 31.28 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 -1.85 4.47 0.24 0.03 2.12 -0.83 -5.01 118.70 117.87 3iqf s GLU 280 Ca 0.34 1.68 -0.30 0.00 0.36 0.00 0.00 54.97 57.05 3iqf s GLU 280 Cb 0.19 -3.38 -0.10 0.00 0.26 0.00 0.00 34.13 31.11 3iqf s GLU 280 CO 0.29 -0.20 1.36 -0.51 -0.54 0.00 0.00 175.26 175.66 3iqf s ASP 281 N 1.04 6.79 0.34 -1.70 1.01 -1.26 -4.91 116.67 117.98 3iqf s ASP 281 Ca 0.57 2.55 -0.28 0.00 0.71 0.00 0.00 52.55 56.10 3iqf s ASP 281 Cb -0.27 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 40.94 3iqf s ASP 281 CO 0.29 -0.59 1.21 -2.16 0.21 0.00 0.00 175.17 174.13 3iqf s PRO 282 N -0.51 4.33 0.00 8.23 0.04 -1.26 -4.85 135.00 140.98 3iqf s PRO 282 Ca 0.56 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3iqf s PRO 282 Cb -0.39 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3iqf s PRO 282 CO 0.43 -0.12 0.06 0.39 0.04 0.00 0.00 177.00 177.79