#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqe s VAL 3 N 0.00 1.74 -0.16 1.08 1.01 -1.26 -4.53 120.40 118.28 3iqe s VAL 3 Ca 0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 3iqe s VAL 3 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3iqe s VAL 3 CO 0.00 0.30 0.13 0.00 0.00 0.00 0.00 175.10 175.53 3iqe s ALA 4 N -0.72 3.77 -0.06 5.51 0.00 0.27 -4.75 121.76 125.77 3iqe s ALA 4 Ca 0.08 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.41 3iqe s ALA 4 Cb -0.09 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 3iqe s ALA 4 CO 0.01 0.40 -0.16 0.15 0.00 0.00 0.00 175.76 176.16 3iqe s LYS 5 N -0.36 2.59 0.02 0.00 1.02 -1.26 -1.09 119.74 120.66 3iqe s LYS 5 Ca 0.11 -0.73 -0.10 0.00 0.02 0.00 0.00 55.97 55.28 3iqe s LYS 5 Cb -0.12 -2.36 0.01 0.00 -0.52 0.00 0.00 37.83 34.83 3iqe s LYS 5 CO 0.01 0.54 0.19 0.00 -0.92 0.00 0.00 175.35 175.18 3iqe s ALA 6 N -0.52 -0.40 -0.09 5.17 0.00 -0.95 -0.37 121.76 124.60 3iqe s ALA 6 Ca 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.87 3iqe s ALA 6 Cb -0.12 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 3iqe s ALA 6 CO 0.01 -0.31 -0.13 0.42 0.00 0.00 0.00 175.76 175.76 3iqe s ILE 7 N -2.13 3.16 -0.11 0.00 1.01 -1.00 -1.77 121.20 120.36 3iqe s ILE 7 Ca -0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 3iqe s ILE 7 Cb -0.03 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3iqe s ILE 7 CO -0.02 0.56 -0.05 -0.36 0.00 0.00 0.00 174.94 175.08 3iqe s PHE 8 N -0.28 3.01 -0.13 3.97 0.40 0.77 -0.73 117.98 124.99 3iqe s PHE 8 Ca 0.02 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 3iqe s PHE 8 Cb -0.13 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.58 3iqe s PHE 8 CO 0.03 0.19 -0.21 0.42 0.70 0.00 0.00 175.22 176.35 3iqe s ILE 9 N -0.31 1.98 -0.22 0.64 1.01 0.28 -0.77 121.20 123.81 3iqe s ILE 9 Ca 0.05 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3iqe s ILE 9 Cb -0.12 -1.75 0.05 0.00 0.01 0.00 0.00 42.46 40.64 3iqe s ILE 9 CO 0.02 0.54 -0.09 -0.54 0.00 0.00 0.00 174.94 174.87 3iqe s LYS 10 N 0.81 1.90 -0.14 2.79 1.02 0.17 -1.57 119.74 124.72 3iqe s LYS 10 Ca -0.08 -0.93 -0.00 0.00 0.02 0.00 0.00 55.97 54.98 3iqe s LYS 10 Cb -0.16 -2.51 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 3iqe s LYS 10 CO -0.01 -0.50 -0.09 0.00 -0.92 0.00 0.00 175.35 173.83 3iqe n GLY 12 N 4.85 -2.36 3.09 0.00 0.00 0.69 -4.26 105.19 107.20 3iqe n GLY 12 Ca -0.14 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.11 3iqe n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iqe s ASN 13 N -2.20 1.49 0.06 1.61 2.47 -1.26 -4.69 114.94 112.42 3iqe s ASN 13 Ca 0.00 -0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.01 3iqe s ASN 13 Cb 0.00 -0.15 -0.04 0.00 -1.45 0.00 0.00 41.25 39.61 3iqe s ASN 13 CO 0.00 0.13 -0.05 -0.22 -3.72 0.00 0.00 177.10 173.24 3iqe s LEU 14 N -0.47 2.46 0.21 3.21 2.96 -1.26 -4.55 118.68 121.24 3iqe s LEU 14 Ca 0.04 -0.93 -0.10 0.00 -0.22 0.00 0.00 54.13 52.92 3iqe s LEU 14 Cb -0.05 0.07 0.18 0.00 0.50 0.00 0.00 46.19 46.88 3iqe s LEU 14 CO -0.00 -0.50 1.86 1.23 -1.32 0.00 0.00 176.35 177.62 3iqe h GLY 15 N 3.31 1.02 1.60 7.98 0.00 -1.94 -2.13 103.07 112.91 3iqe h GLY 15 Ca -0.34 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.50 3iqe h GLY 15 CO 0.62 0.31 -0.49 -0.84 0.00 0.00 0.00 176.54 176.13 3iqe h THR 16 N 0.90 1.33 0.03 4.70 2.02 -1.97 -2.82 112.91 117.09 3iqe h THR 16 Ca 0.28 -1.72 -0.22 0.00 0.77 0.00 0.00 66.41 65.52 3iqe h THR 16 Cb -0.02 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3iqe h THR 16 CO -0.09 0.53 -1.03 0.77 0.37 0.00 0.00 175.52 176.06 3iqe h SER 17 N 0.34 0.15 -0.60 4.18 4.64 -1.91 -0.45 113.55 119.90 3iqe h SER 17 Ca 0.02 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 3iqe h SER 17 Cb 0.99 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 3iqe h SER 17 CO 0.09 1.08 0.27 -0.03 -0.87 0.00 0.00 176.83 177.36 3iqe h MET 18 N 0.03 0.92 -0.01 4.77 -1.53 -1.31 -3.26 114.93 114.54 3iqe h MET 18 Ca -0.05 -0.14 0.00 0.00 -3.44 0.00 0.00 59.70 56.07 3iqe h MET 18 Cb 1.76 -0.16 0.00 0.00 -0.55 0.00 0.00 31.60 32.65 3iqe h MET 18 CO 0.15 0.74 -0.54 -1.33 0.14 0.00 0.00 176.91 176.07 3iqe n MET 19 N -4.32 1.47 -0.36 0.39 2.81 -1.07 -4.76 117.12 111.28 3iqe n MET 19 Ca 0.06 -0.54 -0.00 0.00 -1.81 0.00 0.00 57.70 55.40 3iqe n MET 19 Cb 0.16 -1.33 0.14 0.00 -0.71 0.00 0.00 33.22 31.49 3iqe n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iqe h MET 20 N 1.24 1.24 -0.23 0.03 -0.00 -1.12 -0.85 114.93 115.25 3iqe h MET 20 Ca 0.00 -0.07 -0.20 0.00 -0.00 0.00 0.00 59.70 59.43 3iqe h MET 20 Cb 0.53 -0.28 0.01 0.00 -0.00 0.00 0.00 31.60 31.86 3iqe h MET 20 CO 0.00 0.82 -0.64 0.38 -0.00 0.00 0.00 176.91 177.47 3iqe h ASP 21 N 1.28 0.95 0.61 -0.10 2.03 -1.85 -3.25 116.42 116.08 3iqe h ASP 21 Ca 0.38 -0.58 -0.07 0.00 -0.73 0.00 0.00 57.03 56.03 3iqe h ASP 21 Cb -0.07 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.15 3iqe h ASP 21 CO -0.10 1.36 -0.31 0.24 -1.03 0.00 0.00 179.24 179.40 3iqe h MET 22 N 0.59 0.00 0.00 4.15 2.86 -1.52 -1.37 114.93 119.65 3iqe h MET 22 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3iqe h MET 22 Cb 1.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 3iqe h MET 22 CO 0.14 0.31 -0.04 -0.07 1.06 0.00 0.00 176.91 178.31 3iqe h LEU 23 N 0.00 0.00 -0.39 1.22 3.38 -1.37 -2.45 115.31 115.70 3iqe h LEU 23 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqe h LEU 23 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3iqe h LEU 23 CO 0.04 0.04 -0.40 0.18 0.09 0.00 0.00 178.44 178.39 3iqe n LEU 24 N -3.34 1.01 -2.84 1.67 4.77 -0.51 -4.49 117.00 113.27 3iqe n LEU 24 Ca -0.02 -0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 55.58 3iqe n LEU 24 Cb 0.17 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3iqe n LEU 24 CO 0.25 0.20 0.17 -0.67 -1.33 0.00 0.00 177.39 176.01 3iqe n ASP 25 N -0.85 -1.78 0.27 -1.43 2.03 -0.93 -4.98 116.55 108.88 3iqe n ASP 25 Ca 0.10 -3.43 0.18 0.00 0.52 0.00 0.00 54.79 52.16 3iqe n ASP 25 Cb 0.36 1.31 0.93 0.00 -0.72 0.00 0.00 41.12 43.00 3iqe n ASP 25 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3iqe h GLU 26 N 3.31 0.00 0.00 -0.67 9.09 -1.77 -2.26 114.58 122.29 3iqe h GLU 26 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 3iqe h GLU 26 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 3iqe h GLU 26 CO 0.26 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.86 3iqe n ARG 27 N -3.50 2.38 -1.68 1.06 1.74 -1.26 -4.98 116.66 110.42 3iqe n ARG 27 Ca -0.01 -1.31 -0.16 0.00 -0.77 0.00 0.00 57.85 55.61 3iqe n ARG 27 Cb 0.25 -0.94 -0.05 0.00 -1.02 0.00 0.00 32.46 30.70 3iqe n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iqe n ALA 28 N -0.41 -0.30 -0.48 7.54 0.00 -0.85 -4.87 120.51 121.15 3iqe n ALA 28 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.72 3iqe n ALA 28 Cb 0.26 -1.71 0.15 0.00 0.00 0.00 0.00 19.45 18.16 3iqe n ALA 28 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iqe n ASP 29 N -0.67 2.96 -4.73 0.00 5.75 -1.26 -4.97 116.55 113.63 3iqe n ASP 29 Ca -0.17 -2.42 -0.41 0.00 -0.01 0.00 0.00 54.79 51.79 3iqe n ASP 29 Cb 0.55 -0.30 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 3iqe n ASP 29 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3iqe s ARG 30 N -1.74 4.66 0.00 0.11 0.52 -1.26 -4.39 118.95 116.85 3iqe s ARG 30 Ca 0.25 1.49 0.24 0.00 -0.52 0.00 0.00 55.73 57.19 3iqe s ARG 30 Cb 0.18 -3.38 0.20 0.00 0.52 0.00 0.00 34.95 32.47 3iqe s ARG 30 CO 0.09 0.14 1.22 0.39 0.02 0.00 0.00 175.30 177.16 3iqe n GLU 31 N 2.94 1.15 -0.21 3.54 1.02 0.01 -4.45 120.64 124.64 3iqe n GLU 31 Ca 0.03 -0.90 0.07 0.00 -0.02 0.00 0.00 57.16 56.34 3iqe n GLU 31 Cb 0.49 -1.48 0.18 0.00 -0.02 0.00 0.00 31.44 30.61 3iqe n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3iqe n ASP 32 N -0.14 3.11 -4.03 1.62 3.85 -1.26 -4.77 116.55 114.94 3iqe n ASP 32 Ca 0.10 -1.99 -0.08 0.00 -0.71 0.00 0.00 54.79 52.11 3iqe n ASP 32 Cb 0.44 -0.28 -0.11 0.00 -1.35 0.00 0.00 41.12 39.83 3iqe n ASP 32 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3iqe s VAL 33 N -1.00 0.16 -0.14 2.12 -7.23 -1.26 0.94 120.40 113.98 3iqe s VAL 33 Ca 0.28 -1.31 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 3iqe s VAL 33 Cb 0.15 -0.83 0.07 0.00 0.56 0.00 0.00 36.38 36.32 3iqe s VAL 33 CO 0.19 -0.72 0.31 -0.70 -0.31 0.00 0.00 175.10 173.87 3iqe s GLU 34 N -2.57 0.22 0.21 4.82 2.12 -0.25 -4.89 118.70 118.36 3iqe s GLU 34 Ca -0.06 0.77 0.11 0.00 0.36 0.00 0.00 54.97 56.16 3iqe s GLU 34 Cb -0.02 0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 3iqe s GLU 34 CO -0.05 -0.24 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.15 3iqe s PHE 35 N 2.11 2.24 0.11 5.30 2.99 -1.26 -2.25 117.98 127.22 3iqe s PHE 35 Ca -0.03 -0.37 0.09 0.00 0.00 0.00 0.00 56.93 56.62 3iqe s PHE 35 Cb -0.11 -1.07 -0.04 0.00 0.00 0.00 0.00 43.02 41.80 3iqe s PHE 35 CO -0.10 0.54 -0.22 1.03 -0.00 0.00 0.00 175.22 176.47 3iqe s ARG 36 N -2.92 1.18 -0.03 0.44 1.81 -0.73 -5.00 118.95 113.71 3iqe s ARG 36 Ca 0.23 -1.19 0.02 0.00 -1.72 0.00 0.00 55.73 53.06 3iqe s ARG 36 Cb -0.07 -1.49 0.01 0.00 -0.45 0.00 0.00 34.95 32.95 3iqe s ARG 36 CO 0.11 0.35 -0.06 0.08 -0.68 0.00 0.00 175.30 175.09 3iqe s VAL 37 N -1.13 0.63 0.03 3.52 1.01 -1.26 -0.16 120.40 123.03 3iqe s VAL 37 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3iqe s VAL 37 Cb -0.10 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3iqe s VAL 37 CO 0.05 0.22 -0.03 0.68 0.00 0.00 0.00 175.10 176.02 3iqe s VAL 38 N 0.54 0.15 -0.01 2.92 -7.23 0.05 -4.95 120.40 111.87 3iqe s VAL 38 Ca -0.08 -1.27 -0.19 0.00 -1.81 0.00 0.00 61.98 58.63 3iqe s VAL 38 Cb -0.11 -0.78 0.06 0.00 0.56 0.00 0.00 36.38 36.11 3iqe s VAL 38 CO 0.00 -0.70 0.85 0.61 -0.31 0.00 0.00 175.10 175.56 3iqe n GLY 39 N 0.99 0.37 0.75 2.32 0.00 -1.26 -0.65 105.19 107.71 3iqe n GLY 39 Ca -0.20 -0.98 0.04 0.00 0.00 0.00 0.00 46.02 44.88 3iqe n GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iqe n THR 40 N -0.61 2.12 -1.52 2.61 -2.24 -1.08 -4.95 114.28 108.60 3iqe n THR 40 Ca 0.03 -3.21 0.00 0.00 -2.27 0.00 0.00 64.05 58.60 3iqe n THR 40 Cb 0.39 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3iqe n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iqe n SER 41 N -1.01 0.00 0.09 3.42 2.88 -1.26 -2.63 113.62 115.12 3iqe n SER 41 Ca 0.20 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.87 3iqe n SER 41 Cb 0.73 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.64 3iqe n SER 41 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3iqe n VAL 42 N 0.00 0.59 -2.54 2.46 0.24 -1.26 -0.23 118.33 117.59 3iqe n VAL 42 Ca 0.00 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.76 3iqe n VAL 42 Cb 0.00 -0.71 -0.03 0.00 -1.47 0.00 0.00 33.84 31.62 3iqe n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3iqe s LYS 43 N -3.13 4.49 -0.02 7.34 -0.14 -1.08 -3.32 119.74 123.88 3iqe s LYS 43 Ca 0.10 1.63 0.19 0.00 -1.36 0.00 0.00 55.97 56.52 3iqe s LYS 43 Cb 0.12 -3.39 0.33 0.00 -1.68 0.00 0.00 37.83 33.22 3iqe s LYS 43 CO 0.53 -0.15 1.14 0.00 -0.76 0.00 0.00 175.35 176.10 3iqe n MET 44 N 3.83 0.16 -1.19 1.68 0.00 -1.26 -3.60 117.12 116.74 3iqe n MET 44 Ca 0.07 -1.90 -0.31 0.00 0.00 0.00 0.00 57.70 55.56 3iqe n MET 44 Cb 0.48 -0.28 0.10 0.00 0.00 0.00 0.00 33.22 33.52 3iqe n MET 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3iqe s ASP 45 N -1.90 4.18 0.19 3.17 -4.77 -1.26 -3.82 116.67 112.45 3iqe s ASP 45 Ca 0.27 1.95 -0.14 0.00 -3.30 0.00 0.00 52.55 51.33 3iqe s ASP 45 Cb 0.30 -2.54 0.18 0.00 -1.09 0.00 0.00 42.92 39.77 3iqe s ASP 45 CO -0.12 -2.26 1.68 -0.65 0.70 0.00 0.00 175.17 174.53 3iqe h PRO 46 N -1.14 0.11 -0.61 2.11 0.11 -1.87 -0.31 132.00 130.40 3iqe h PRO 46 Ca -0.44 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.74 3iqe h PRO 46 Cb 1.24 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3iqe h PRO 46 CO 0.49 0.07 0.27 0.93 -0.21 0.00 0.00 178.00 179.55 3iqe h GLU 47 N 0.11 0.48 -0.29 1.05 3.07 -1.97 -0.18 114.58 116.84 3iqe h GLU 47 Ca 0.25 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.01 3iqe h GLU 47 Cb 0.37 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3iqe h GLU 47 CO -0.41 0.31 -0.10 0.00 -1.40 0.00 0.00 179.01 177.41 3iqe h VAL 49 N 0.34 1.23 -0.64 0.00 2.07 -0.85 -0.12 116.25 118.28 3iqe h VAL 49 Ca 0.07 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.84 3iqe h VAL 49 Cb 0.60 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3iqe h VAL 49 CO 0.03 0.29 0.39 -0.08 0.02 0.00 0.00 177.57 178.22 3iqe h GLU 50 N 0.65 0.73 -0.70 1.57 4.81 -1.00 -0.30 114.58 120.33 3iqe h GLU 50 Ca 0.15 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3iqe h GLU 50 Cb 0.29 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3iqe h GLU 50 CO -0.00 0.48 0.37 0.00 -0.73 0.00 0.00 179.01 179.13 3iqe h ALA 51 N 1.29 1.33 -0.14 2.92 0.00 -0.65 -1.66 119.26 122.35 3iqe h ALA 51 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3iqe h ALA 51 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3iqe h ALA 51 CO -0.12 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.72 3iqe h ALA 52 N 1.43 0.19 -0.18 0.00 0.00 -0.09 -2.40 119.26 118.20 3iqe h ALA 52 Ca 0.25 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3iqe h ALA 52 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3iqe h ALA 52 CO -0.04 -0.21 -0.34 0.28 0.00 0.00 0.00 179.25 178.94 3iqe h VAL 53 N 0.06 1.29 0.19 0.00 2.07 -0.89 -1.48 116.25 117.49 3iqe h VAL 53 Ca 0.05 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 3iqe h VAL 53 Cb 0.20 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3iqe h VAL 53 CO -0.00 0.43 -0.09 -0.33 0.02 0.00 0.00 177.57 177.60 3iqe h GLU 54 N 0.32 -0.25 -0.42 1.57 5.08 -1.27 0.30 114.58 119.90 3iqe h GLU 54 Ca 0.04 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 3iqe h GLU 54 Cb 0.76 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.98 3iqe h GLU 54 CO 0.06 -0.16 -0.15 0.52 -1.00 0.00 0.00 179.01 178.29 3iqe h MET 55 N -0.27 -0.06 0.08 2.33 2.86 -1.11 1.49 114.93 120.25 3iqe h MET 55 Ca -0.03 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3iqe h MET 55 Cb 0.21 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3iqe h MET 55 CO 0.04 -0.04 -0.10 0.00 1.06 0.00 0.00 176.91 177.88 3iqe h ALA 56 N 1.31 -0.17 -0.20 6.32 0.00 -0.98 0.20 119.26 125.73 3iqe h ALA 56 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3iqe h ALA 56 Cb 0.37 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3iqe h ALA 56 CO -0.46 -0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 178.03 3iqe h LEU 57 N -0.21 0.28 0.57 0.00 3.38 0.33 0.35 115.31 120.02 3iqe h LEU 57 Ca 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3iqe h LEU 57 Cb 0.21 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.89 3iqe h LEU 57 CO -0.04 0.40 -0.28 0.44 0.09 0.00 0.00 178.44 179.06 3iqe h ASP 58 N 0.29 -0.65 -1.00 -0.43 3.32 0.26 -2.92 116.42 115.30 3iqe h ASP 58 Ca 0.06 0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.23 3iqe h ASP 58 Cb 0.33 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.96 3iqe h ASP 58 CO 0.02 -0.45 0.63 0.40 -1.72 0.00 0.00 179.24 178.12 3iqe h ILE 59 N -0.79 0.96 0.00 0.35 1.08 -0.02 -2.41 117.51 116.68 3iqe h ILE 59 Ca -0.08 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.04 3iqe h ILE 59 Cb 0.60 -0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3iqe h ILE 59 CO 0.13 0.19 -0.02 0.00 -0.69 0.00 0.00 178.15 177.76 3iqe h ALA 60 N 1.52 1.12 -0.45 1.87 0.00 -0.13 -0.73 119.26 122.46 3iqe h ALA 60 Ca 0.48 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 3iqe h ALA 60 Cb 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3iqe h ALA 60 CO -0.24 0.02 -0.06 0.93 0.00 0.00 0.00 179.25 179.90 3iqe h GLU 61 N 0.00 0.83 0.00 0.00 4.39 -1.35 -0.35 114.58 118.10 3iqe h GLU 61 Ca -0.00 -0.30 -0.25 0.00 0.34 0.00 0.00 59.36 59.16 3iqe h GLU 61 Cb 0.12 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3iqe h GLU 61 CO 0.00 0.92 -1.56 -0.44 -1.16 0.00 0.00 179.01 176.77 3iqe h ASP 62 N 0.67 0.00 0.70 1.42 3.32 -1.62 -3.39 116.42 117.52 3iqe h ASP 62 Ca 0.12 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.91 3iqe h ASP 62 Cb 0.58 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3iqe h ASP 62 CO 0.03 0.87 -1.40 0.15 -1.72 0.00 0.00 179.24 177.17 3iqe h PHE 63 N 0.00 0.03 -5.91 4.55 3.57 -1.09 -3.49 116.94 114.60 3iqe h PHE 63 Ca -0.23 -0.02 -0.28 0.00 3.53 0.00 0.00 57.97 60.98 3iqe h PHE 63 Cb 1.86 -0.00 0.07 0.00 2.79 0.00 0.00 35.95 40.67 3iqe h PHE 63 CO 0.00 1.02 -0.66 0.39 -2.23 0.00 0.00 178.31 176.83 3iqe n GLU 64 N -3.20 -1.47 -2.17 1.11 1.02 -0.15 -4.94 120.64 110.84 3iqe n GLU 64 Ca -0.10 0.90 -0.37 0.00 -0.02 0.00 0.00 57.16 57.57 3iqe n GLU 64 Cb 1.00 -4.62 0.00 0.00 -0.02 0.00 0.00 31.44 27.81 3iqe n GLU 64 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3iqe s PRO 65 N -4.61 3.56 0.18 3.49 0.04 -1.26 -4.86 135.00 131.54 3iqe s PRO 65 Ca 0.25 1.82 0.02 0.00 0.04 0.00 0.00 61.00 63.13 3iqe s PRO 65 Cb -0.07 -2.29 0.06 0.00 0.04 0.00 0.00 34.50 32.24 3iqe s PRO 65 CO 0.81 -0.73 1.43 -0.44 0.04 0.00 0.00 177.00 178.11 3iqe h ASP 66 N 1.76 0.29 -5.09 6.66 3.32 -1.07 -3.47 116.42 118.82 3iqe h ASP 66 Ca -0.50 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.31 3iqe h ASP 66 Cb 1.26 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 40.61 3iqe h ASP 66 CO 0.59 0.97 -0.00 0.72 -1.72 0.00 0.00 179.24 179.80 3iqe s PHE 67 N -3.39 -0.12 -0.02 4.55 -0.12 -1.18 -4.33 117.98 113.37 3iqe s PHE 67 Ca -0.03 -0.21 0.05 0.00 -0.05 0.00 0.00 56.93 56.69 3iqe s PHE 67 Cb 0.11 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 3iqe s PHE 67 CO 0.82 -0.86 -0.18 0.42 -0.05 0.00 0.00 175.22 175.37 3iqe s ILE 68 N -3.86 1.46 -0.09 -4.49 1.01 -0.54 -2.38 121.20 112.30 3iqe s ILE 68 Ca 0.08 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.00 3iqe s ILE 68 Cb -0.00 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 3iqe s ILE 68 CO -0.05 0.41 -0.23 -0.69 0.00 0.00 0.00 174.94 174.38 3iqe s VAL 69 N -0.33 2.20 -0.17 2.92 1.01 0.09 -1.37 120.40 124.75 3iqe s VAL 69 Ca 0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 3iqe s VAL 69 Cb -0.08 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3iqe s VAL 69 CO -0.00 0.56 -0.04 -0.47 0.00 0.00 0.00 175.10 175.15 3iqe s TYR 70 N 0.16 3.00 -0.07 5.22 6.14 0.05 -0.56 117.35 131.29 3iqe s TYR 70 Ca -0.13 -0.42 0.00 0.00 0.64 0.00 0.00 57.07 57.17 3iqe s TYR 70 Cb -0.16 -1.98 0.02 0.00 0.42 0.00 0.00 41.96 40.26 3iqe s TYR 70 CO 0.07 -0.13 -0.05 0.20 0.64 0.00 0.00 175.55 176.27 3iqe s GLY 71 N 0.56 0.60 0.00 8.97 0.00 -0.61 -0.05 107.32 116.79 3iqe s GLY 71 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.43 3iqe s GLY 71 CO 0.03 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.41 3iqe n GLY 72 N 4.54 0.30 3.61 0.20 0.00 -0.84 -3.12 105.19 109.89 3iqe n GLY 72 Ca -0.17 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 3iqe n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iqe n PRO 73 N -0.08 1.20 -3.08 1.61 -0.02 -1.26 -4.24 135.00 129.14 3iqe n PRO 73 Ca 0.00 0.44 -0.20 0.00 -2.02 0.00 0.00 63.50 61.73 3iqe n PRO 73 Cb 0.00 -2.10 0.02 0.00 -0.02 0.00 0.00 33.50 31.40 3iqe n PRO 73 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3iqe n ASN 74 N 0.03 -5.27 0.33 2.55 5.15 -1.26 -4.81 115.26 111.98 3iqe n ASN 74 Ca 0.11 0.07 0.14 0.00 -0.60 0.00 0.00 54.58 54.30 3iqe n ASN 74 Cb 0.43 -1.40 0.76 0.00 -0.53 0.00 0.00 39.78 39.04 3iqe n ASN 74 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3iqe h PRO 75 N 2.50 0.00 0.00 1.20 0.11 -1.89 -2.23 132.00 131.69 3iqe h PRO 75 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3iqe h PRO 75 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3iqe h PRO 75 CO 0.11 0.00 -0.65 0.00 -0.21 0.00 0.00 178.00 177.25 3iqe n ALA 76 N -1.86 3.22 -1.39 -0.75 0.00 -1.26 -3.49 120.51 114.99 3iqe n ALA 76 Ca -0.02 -0.31 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 3iqe n ALA 76 Cb 0.40 -1.12 0.13 0.00 0.00 0.00 0.00 19.45 18.86 3iqe n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iqe s ALA 77 N -3.11 1.71 0.12 0.00 0.00 -0.84 -4.81 121.76 114.83 3iqe s ALA 77 Ca 0.07 -0.27 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 3iqe s ALA 77 Cb 0.15 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 20.09 3iqe s ALA 77 CO 0.73 -2.23 1.68 -1.35 0.00 0.00 0.00 175.76 174.59 3iqe h PRO 78 N -1.45 -0.19 0.54 0.00 0.11 -1.91 -1.13 132.00 127.98 3iqe h PRO 78 Ca -0.50 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3iqe h PRO 78 Cb 1.30 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 3iqe h PRO 78 CO 0.58 -0.13 -0.45 0.78 -0.21 0.00 0.00 178.00 178.58 3iqe h GLY 79 N -0.20 -1.22 0.89 -0.55 0.00 -1.84 -2.73 103.07 97.43 3iqe h GLY 79 Ca 0.06 0.54 0.07 0.00 0.00 0.00 0.00 47.33 48.00 3iqe h GLY 79 CO -0.15 -0.38 0.54 -2.55 0.00 0.00 0.00 176.54 174.00 3iqe h PRO 80 N -0.96 0.84 -0.92 4.80 0.11 -1.74 -1.72 132.00 132.42 3iqe h PRO 80 Ca -0.07 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 66.11 3iqe h PRO 80 Cb 0.81 -0.19 -0.07 0.00 0.11 0.00 0.00 31.00 31.66 3iqe h PRO 80 CO -0.00 0.56 0.59 0.77 -0.21 0.00 0.00 178.00 179.70 3iqe h SER 81 N 0.87 0.78 -0.27 -2.05 0.02 -1.12 -0.32 113.55 111.46 3iqe h SER 81 Ca 0.36 0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 61.17 3iqe h SER 81 Cb 0.29 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 3iqe h SER 81 CO -0.14 0.42 -0.52 0.50 -1.14 0.00 0.00 176.83 175.96 3iqe h LYS 82 N 0.84 0.86 -0.91 3.45 1.63 -1.01 -2.20 116.57 119.23 3iqe h LYS 82 Ca 0.45 -0.53 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 3iqe h LYS 82 Cb 0.54 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.18 3iqe h LYS 82 CO -0.21 1.16 0.53 0.00 -3.45 0.00 0.00 179.45 177.48 3iqe h ALA 83 N 0.73 1.17 -0.41 5.00 0.00 -0.90 -0.81 119.26 124.03 3iqe h ALA 83 Ca 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3iqe h ALA 83 Cb 1.12 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3iqe h ALA 83 CO 0.12 0.65 0.11 0.00 0.00 0.00 0.00 179.25 180.12 3iqe h ARG 84 N 1.27 0.66 -0.26 0.00 3.08 -0.93 0.13 114.38 118.33 3iqe h ARG 84 Ca 0.32 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3iqe h ARG 84 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3iqe h ARG 84 CO -0.06 0.67 -0.05 1.49 -1.07 0.00 0.00 179.97 180.95 3iqe h GLU 85 N 0.53 0.50 -0.35 0.04 4.57 -1.10 0.19 114.58 118.96 3iqe h GLU 85 Ca 0.13 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3iqe h GLU 85 Cb 0.30 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3iqe h GLU 85 CO 0.00 0.71 0.12 0.52 -1.18 0.00 0.00 179.01 179.18 3iqe h MET 86 N 0.25 0.53 -0.44 1.92 2.86 -1.00 0.22 114.93 119.27 3iqe h MET 86 Ca 0.07 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 3iqe h MET 86 Cb 0.52 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3iqe h MET 86 CO 0.02 0.54 -0.17 -0.07 1.06 0.00 0.00 176.91 178.29 3iqe h LEU 87 N 0.41 0.90 -1.26 1.22 3.38 -0.96 -1.79 115.31 117.21 3iqe h LEU 87 Ca 0.11 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3iqe h LEU 87 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3iqe h LEU 87 CO -0.01 1.09 0.04 0.00 0.09 0.00 0.00 178.44 179.65 3iqe h ALA 88 N 0.85 1.40 0.00 1.53 0.00 -0.37 -2.22 119.26 120.46 3iqe h ALA 88 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iqe h ALA 88 Cb 0.72 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3iqe h ALA 88 CO 0.06 0.42 -0.02 -0.25 0.00 0.00 0.00 179.25 179.46 3iqe n ASP 89 N -4.30 0.43 -4.81 0.00 8.00 0.75 -4.84 116.55 111.78 3iqe n ASP 89 Ca 0.02 0.52 -0.29 0.00 0.71 0.00 0.00 54.79 55.75 3iqe n ASP 89 Cb 0.22 -0.63 0.12 0.00 -0.02 0.00 0.00 41.12 40.81 3iqe n ASP 89 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3iqe s SER 90 N -3.79 3.85 0.00 -2.24 1.04 -0.68 -4.97 113.70 106.91 3iqe s SER 90 Ca 0.12 0.99 0.28 0.00 0.48 0.00 0.00 55.95 57.82 3iqe s SER 90 Cb 0.16 -1.58 1.05 0.00 0.10 0.00 0.00 66.02 65.74 3iqe s SER 90 CO 0.57 -2.34 1.78 -1.84 0.98 0.00 0.00 173.24 172.39 3iqe n GLU 91 N -3.63 0.16 -3.10 4.02 0.28 -1.26 -4.87 120.64 112.24 3iqe n GLU 91 Ca 0.07 -0.04 -0.39 0.00 -0.16 0.00 0.00 57.16 56.63 3iqe n GLU 91 Cb 0.59 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.91 3iqe n GLU 91 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3iqe s TYR 92 N -2.87 3.60 0.33 -1.84 2.02 -1.26 -5.04 117.35 112.28 3iqe s TYR 92 Ca 0.17 1.22 -0.29 0.00 -0.37 0.00 0.00 57.07 57.79 3iqe s TYR 92 Cb 0.19 -2.74 -0.12 0.00 -0.40 0.00 0.00 41.96 38.89 3iqe s TYR 92 CO 0.56 0.16 1.48 -2.30 -1.57 0.00 0.00 175.55 173.88 3iqe n PRO 93 N 3.51 2.51 -3.98 -1.71 -0.02 -1.26 -4.85 135.00 129.21 3iqe n PRO 93 Ca -0.03 0.89 -0.09 0.00 -2.02 0.00 0.00 63.50 62.25 3iqe n PRO 93 Cb 0.51 -2.60 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 3iqe n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iqe s ALA 94 N -0.60 0.11 -0.04 3.55 0.00 -1.26 -1.47 121.76 122.06 3iqe s ALA 94 Ca 0.59 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.02 3iqe s ALA 94 Cb -0.52 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3iqe s ALA 94 CO 0.56 -0.17 -0.19 0.08 0.00 0.00 0.00 175.76 176.05 3iqe s VAL 95 N -1.51 1.54 -0.20 0.00 1.01 -0.47 -0.51 120.40 120.27 3iqe s VAL 95 Ca -0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 3iqe s VAL 95 Cb -0.09 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3iqe s VAL 95 CO -0.01 0.44 -0.01 -0.63 0.00 0.00 0.00 175.10 174.89 3iqe s ILE 96 N -0.16 3.92 -0.23 2.22 -1.09 0.26 -0.77 121.20 125.36 3iqe s ILE 96 Ca 0.00 -0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 58.03 3iqe s ILE 96 Cb -0.10 -2.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 3iqe s ILE 96 CO 0.01 0.44 0.04 -0.63 -1.23 0.00 0.00 174.94 173.57 3iqe s ILE 97 N 0.95 4.23 0.08 2.92 1.01 0.92 -0.49 121.20 130.81 3iqe s ILE 97 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 3iqe s ILE 97 Cb -0.14 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.38 3iqe s ILE 97 CO 0.02 0.38 0.12 0.61 0.00 0.00 0.00 174.94 176.07 3iqe n GLY 98 N 4.57 2.64 0.00 6.18 0.00 -0.84 -1.98 105.19 115.77 3iqe n GLY 98 Ca -0.17 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3iqe n GLY 98 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iqe n ASP 99 N -1.80 0.93 -0.15 1.61 3.85 -1.26 -0.69 116.55 119.05 3iqe n ASP 99 Ca -0.00 -0.72 0.01 0.00 -0.71 0.00 0.00 54.79 53.36 3iqe n ASP 99 Cb 0.13 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.18 3iqe n ASP 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3iqe h ALA 100 N 0.51 1.50 0.00 2.12 0.00 -1.80 -1.35 119.26 120.23 3iqe h ALA 100 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iqe h ALA 100 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3iqe h ALA 100 CO 0.00 0.44 0.15 -1.35 0.00 0.00 0.00 179.25 178.49 3iqe h PRO 101 N 0.86 0.00 0.00 0.00 0.11 -1.96 -1.15 132.00 129.86 3iqe h PRO 101 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3iqe h PRO 101 Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3iqe h PRO 101 CO -0.04 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.53 3iqe h GLY 102 N 0.00 0.00 1.37 -0.55 0.00 -1.61 -2.22 103.07 100.06 3iqe h GLY 102 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3iqe h GLY 102 CO 0.00 0.00 0.23 1.41 0.00 0.00 0.00 176.54 178.18 3iqe h LEU 103 N 0.00 0.00 -2.10 3.11 3.38 -1.37 -1.37 115.31 116.95 3iqe h LEU 103 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3iqe h LEU 103 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3iqe h LEU 103 CO 0.00 0.00 0.15 0.11 0.09 0.00 0.00 178.44 178.79 3iqe h LYS 104 N 0.00 0.00 -0.04 1.13 1.57 -1.61 -2.99 116.57 114.64 3iqe h LYS 104 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3iqe h LYS 104 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3iqe h LYS 104 CO -0.00 0.00 -0.52 1.33 -0.57 0.00 0.00 179.45 179.69 3iqe n VAL 105 N -4.27 2.21 -0.11 0.50 0.24 -0.52 -4.76 118.33 111.63 3iqe n VAL 105 Ca 0.01 -3.29 -0.12 0.00 -2.04 0.00 0.00 64.34 58.91 3iqe n VAL 105 Cb 0.28 -0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3iqe n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3iqe h LYS 106 N 1.06 0.61 -0.07 7.34 3.64 -1.50 -0.30 116.57 127.35 3iqe h LYS 106 Ca 0.02 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 58.99 3iqe h LYS 106 Cb 1.03 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3iqe h LYS 106 CO 0.04 0.81 -0.64 -0.44 -2.27 0.00 0.00 179.45 176.94 3iqe h ASP 107 N 0.38 0.32 -0.47 4.20 5.19 -1.86 -2.25 116.42 121.94 3iqe h ASP 107 Ca 0.08 -0.19 0.01 0.00 -0.62 0.00 0.00 57.03 56.30 3iqe h ASP 107 Cb 0.60 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 3iqe h ASP 107 CO 0.03 0.88 0.30 -0.08 -3.12 0.00 0.00 179.24 177.25 3iqe h GLU 108 N 0.20 0.60 -0.92 3.56 4.81 -1.82 -1.46 114.58 119.55 3iqe h GLU 108 Ca -0.01 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3iqe h GLU 108 Cb 1.17 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 3iqe h GLU 108 CO 0.10 0.40 0.60 0.52 -0.73 0.00 0.00 179.01 179.90 3iqe h MET 109 N 0.62 1.22 -0.69 1.92 2.86 -0.81 0.17 114.93 120.21 3iqe h MET 109 Ca 0.18 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3iqe h MET 109 Cb -0.05 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.31 3iqe h MET 109 CO -0.05 0.81 0.15 0.93 1.06 0.00 0.00 176.91 179.82 3iqe h GLU 110 N 1.25 1.11 0.00 1.72 5.08 -1.12 -1.64 114.58 120.98 3iqe h GLU 110 Ca 0.34 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3iqe h GLU 110 Cb -0.13 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 3iqe h GLU 110 CO -0.07 0.99 -0.38 1.49 -1.00 0.00 0.00 179.01 180.04 3iqe h GLU 111 N 1.05 0.00 0.00 2.33 4.81 -0.72 -1.83 114.58 120.22 3iqe h GLU 111 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3iqe h GLU 111 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3iqe h GLU 111 CO 0.00 0.38 0.00 1.04 -0.73 0.00 0.00 179.01 179.70 3iqe n GLN 112 N -3.77 0.25 -0.73 1.92 6.02 0.54 -4.92 117.38 116.69 3iqe n GLN 112 Ca -0.01 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 3iqe n GLN 112 Cb 0.45 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.87 3iqe n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iqe n GLY 113 N 0.82 0.57 3.90 1.08 0.00 -0.69 -4.79 105.19 106.08 3iqe n GLY 113 Ca 0.04 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3iqe n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iqe s LEU 114 N 0.00 4.29 0.59 0.99 1.43 -0.75 -4.68 118.68 120.55 3iqe s LEU 114 Ca 0.00 0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 53.62 3iqe s LEU 114 Cb 0.00 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 43.06 3iqe s LEU 114 CO 0.00 0.10 0.89 -0.83 0.23 0.00 0.00 176.35 176.73 3iqe s GLY 115 N -2.29 1.62 0.07 -3.19 0.00 0.34 -4.42 107.32 99.44 3iqe s GLY 115 Ca 0.38 -0.77 -0.13 0.00 0.00 0.00 0.00 44.72 44.20 3iqe s GLY 115 CO 0.23 -0.49 0.30 -2.52 0.00 0.00 0.00 173.10 170.62 3iqe s TYR 116 N -2.97 -0.07 -0.17 1.90 1.13 -0.67 -0.57 117.35 115.93 3iqe s TYR 116 Ca 0.54 -0.16 -0.03 0.00 -1.41 0.00 0.00 57.07 56.01 3iqe s TYR 116 Cb -0.10 0.09 0.05 0.00 -1.10 0.00 0.00 41.96 40.90 3iqe s TYR 116 CO 0.44 -0.55 0.03 0.42 -2.51 0.00 0.00 175.55 173.38 3iqe s ILE 117 N -3.06 0.47 -0.24 -3.49 1.01 0.36 -0.97 121.20 115.27 3iqe s ILE 117 Ca -0.01 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 3iqe s ILE 117 Cb 0.01 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 3iqe s ILE 117 CO -0.07 -0.13 0.05 -0.76 0.00 0.00 0.00 174.94 174.03 3iqe s LEU 118 N 1.89 3.34 -0.51 2.97 1.43 0.42 -1.98 118.68 126.24 3iqe s LEU 118 Ca 0.00 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 3iqe s LEU 118 Cb -0.16 -1.89 0.13 0.00 0.03 0.00 0.00 46.19 44.30 3iqe s LEU 118 CO -0.08 -0.02 0.42 -0.69 0.23 0.00 0.00 176.35 176.21 3iqe s VAL 119 N 1.54 4.67 0.36 -1.59 1.01 0.14 -0.14 120.40 126.40 3iqe s VAL 119 Ca 0.06 -1.69 0.07 0.00 0.00 0.00 0.00 61.98 60.42 3iqe s VAL 119 Cb -0.15 -4.04 0.17 0.00 0.00 0.00 0.00 36.38 32.36 3iqe s VAL 119 CO 0.02 -0.82 1.91 0.11 0.00 0.00 0.00 175.10 176.31 3iqe h LYS 120 N 8.62 0.39 0.00 2.72 1.57 -1.40 -2.73 116.57 125.74 3iqe h LYS 120 Ca -0.24 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3iqe h LYS 120 Cb 1.08 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3iqe h LYS 120 CO 0.94 0.46 0.00 -2.30 -0.57 0.00 0.00 179.45 177.97 3iqe n PRO 121 N -4.29 0.15 -2.26 3.15 -0.02 -1.26 -4.44 135.00 126.03 3iqe n PRO 121 Ca 0.01 0.07 -0.37 0.00 -2.02 0.00 0.00 63.50 61.19 3iqe n PRO 121 Cb 0.24 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 3iqe n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iqe n ASP 122 N -1.41 4.00 -4.83 2.55 -0.08 -1.03 -4.41 116.55 111.34 3iqe n ASP 122 Ca 0.08 -2.81 -0.37 0.00 -1.51 0.00 0.00 54.79 50.18 3iqe n ASP 122 Cb 0.25 -1.71 -0.06 0.00 2.34 0.00 0.00 41.12 41.93 3iqe n ASP 122 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iqe s ALA 123 N 7.11 3.65 0.43 -1.67 0.00 -1.26 -4.69 121.76 125.33 3iqe s ALA 123 Ca 0.60 -0.15 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 3iqe s ALA 123 Cb 0.03 -2.47 -0.08 0.00 0.00 0.00 0.00 23.12 20.60 3iqe s ALA 123 CO 0.10 0.46 1.38 1.41 0.00 0.00 0.00 175.76 179.11 3iqe s MET 124 N -1.33 3.79 0.76 0.00 1.75 -1.26 -4.89 119.30 118.12 3iqe s MET 124 Ca 0.29 2.31 -0.03 0.00 -1.25 0.00 0.00 55.69 57.01 3iqe s MET 124 Cb -0.17 -2.69 0.16 0.00 2.84 0.00 0.00 34.83 34.97 3iqe s MET 124 CO 0.16 -0.69 1.05 1.47 -0.65 0.00 0.00 175.02 176.36 3iqe n LEU 125 N -0.08 0.00 -4.17 4.11 -0.00 -1.26 -4.46 117.00 111.15 3iqe n LEU 125 Ca 0.05 -2.01 -0.43 0.00 -0.00 0.00 0.00 56.01 53.61 3iqe n LEU 125 Cb 0.43 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 3iqe n LEU 125 CO 0.57 -1.06 1.70 0.61 -0.00 0.00 0.00 177.39 179.22 3iqe n GLY 126 N -2.81 4.05 2.71 1.47 0.00 -1.26 -4.86 105.19 104.49 3iqe n GLY 126 Ca 0.16 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 3iqe n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqe n ALA 127 N 4.84 5.84 -3.14 4.61 0.00 -1.26 -4.27 120.51 127.13 3iqe n ALA 127 Ca 0.39 -4.05 -0.32 0.00 0.00 0.00 0.00 53.44 49.45 3iqe n ALA 127 Cb 0.40 -3.20 -0.16 0.00 0.00 0.00 0.00 19.45 16.48 3iqe n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iqe s ARG 128 N 1.41 3.11 0.38 0.00 1.81 -1.26 -4.96 118.95 119.44 3iqe s ARG 128 Ca 0.47 -0.82 0.17 0.00 -1.72 0.00 0.00 55.73 53.82 3iqe s ARG 128 Cb 0.13 -2.39 1.06 0.00 -0.45 0.00 0.00 34.95 33.30 3iqe s ARG 128 CO -0.05 0.21 1.77 -0.09 -0.68 0.00 0.00 175.30 176.46 3iqe h ARG 129 N 6.65 0.42 0.00 3.54 2.43 -1.89 0.21 114.38 125.74 3iqe h ARG 129 Ca -0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3iqe h ARG 129 Cb 1.23 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3iqe h ARG 129 CO 0.49 0.28 0.00 0.93 -1.51 0.00 0.00 179.97 180.16 3iqe h GLU 130 N 0.43 0.00 0.00 0.20 3.07 -1.96 -3.35 114.58 112.97 3iqe h GLU 130 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 3iqe h GLU 130 Cb 1.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 3iqe h GLU 130 CO -0.32 0.00 -0.94 0.34 -1.40 0.00 0.00 179.01 176.69 3iqe n PHE 131 N -3.00 0.00 -2.77 4.33 7.35 -0.20 -4.98 117.46 118.19 3iqe n PHE 131 Ca -0.01 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.26 3iqe n PHE 131 Cb 0.19 0.03 -0.04 0.00 0.35 0.00 0.00 39.48 40.01 3iqe n PHE 131 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iqe s LEU 132 N -5.80 4.05 0.00 -2.13 2.96 0.57 -4.84 118.68 113.49 3iqe s LEU 132 Ca 0.00 -0.88 0.07 0.00 -0.22 0.00 0.00 54.13 53.10 3iqe s LEU 132 Cb 0.00 -2.46 0.07 0.00 0.50 0.00 0.00 46.19 44.30 3iqe s LEU 132 CO 0.00 -1.54 0.57 -0.90 -1.32 0.00 0.00 176.35 173.16 3iqe n ASP 133 N 8.16 2.01 -0.31 3.68 5.75 -1.26 -4.70 116.55 129.88 3iqe n ASP 133 Ca -0.01 -2.40 -0.03 0.00 -0.01 0.00 0.00 54.79 52.35 3iqe n ASP 133 Cb 0.47 -0.25 0.12 0.00 -1.03 0.00 0.00 41.12 40.42 3iqe n ASP 133 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3iqe h PRO 134 N 0.00 1.20 -0.41 0.11 0.11 -1.99 -1.00 132.00 130.03 3iqe h PRO 134 Ca -0.25 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 3iqe h PRO 134 Cb 1.06 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3iqe h PRO 134 CO 0.37 0.87 -0.07 0.28 -0.21 0.00 0.00 178.00 179.24 3iqe h VAL 135 N 1.21 1.27 -0.71 3.15 2.07 -1.98 -1.67 116.25 119.60 3iqe h VAL 135 Ca 0.31 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 3iqe h VAL 135 Cb 0.01 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3iqe h VAL 135 CO -0.05 0.38 0.16 -0.08 0.02 0.00 0.00 177.57 178.00 3iqe h GLU 136 N 0.58 1.14 -0.71 1.57 4.57 -1.82 -1.25 114.58 118.65 3iqe h GLU 136 Ca 0.11 -0.28 0.11 0.00 -1.18 0.00 0.00 59.36 58.11 3iqe h GLU 136 Cb 0.58 -0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 28.95 3iqe h GLU 136 CO 0.03 1.01 0.33 1.98 -1.18 0.00 0.00 179.01 181.18 3iqe h MET 137 N 1.07 0.52 -0.03 1.92 4.05 -0.98 -1.11 114.93 120.39 3iqe h MET 137 Ca 0.22 -0.03 -0.19 0.00 -0.28 0.00 0.00 59.70 59.41 3iqe h MET 137 Cb 0.39 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 3iqe h MET 137 CO 0.00 0.35 -0.82 0.00 0.23 0.00 0.00 176.91 176.67 3iqe h ALA 138 N 1.46 0.54 -0.34 0.39 0.00 -0.98 -1.51 119.26 118.82 3iqe h ALA 138 Ca 0.36 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3iqe h ALA 138 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3iqe h ALA 138 CO -0.31 0.83 0.09 0.82 0.00 0.00 0.00 179.25 180.68 3iqe h ILE 139 N 0.19 1.22 -0.43 0.00 2.04 -0.96 -1.15 117.51 118.42 3iqe h ILE 139 Ca -0.04 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.13 3iqe h ILE 139 Cb 1.42 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 3iqe h ILE 139 CO 0.13 0.24 0.20 0.22 0.00 0.00 0.00 178.15 178.95 3iqe h TYR 140 N 0.39 0.38 -0.62 1.37 3.20 -1.11 -1.46 116.97 119.11 3iqe h TYR 140 Ca 0.11 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3iqe h TYR 140 Cb 0.28 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3iqe h TYR 140 CO 0.01 0.19 0.41 -0.91 -1.64 0.00 0.00 178.16 176.22 3iqe h ASN 141 N 0.41 0.69 -0.06 -2.11 2.35 -1.04 -0.02 115.58 115.80 3iqe h ASN 141 Ca 0.18 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3iqe h ASN 141 Cb 0.10 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3iqe h ASN 141 CO -0.14 0.49 0.02 0.00 -1.65 0.00 0.00 177.43 176.15 3iqe h ALA 142 N 1.62 0.08 0.10 -0.83 0.00 -0.50 0.44 119.26 120.18 3iqe h ALA 142 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iqe h ALA 142 Cb -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iqe h ALA 142 CO -0.06 -0.31 -0.09 -0.44 0.00 0.00 0.00 179.25 178.35 3iqe h ASP 143 N -0.10 -0.24 -0.29 0.00 3.32 -0.99 -1.10 116.42 117.02 3iqe h ASP 143 Ca 0.02 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3iqe h ASP 143 Cb 0.21 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3iqe h ASP 143 CO -0.00 -0.15 0.11 0.25 -1.72 0.00 0.00 179.24 177.73 3iqe h LEU 144 N -0.21 0.14 -0.63 1.55 5.85 -0.95 -1.74 115.31 119.31 3iqe h LEU 144 Ca 0.00 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.87 3iqe h LEU 144 Cb 0.20 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 3iqe h LEU 144 CO -0.02 0.11 0.12 -0.03 -0.34 0.00 0.00 178.44 178.28 3iqe h MET 145 N 0.25 0.23 -0.13 1.25 4.05 -0.82 -0.78 114.93 118.98 3iqe h MET 145 Ca 0.12 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.58 3iqe h MET 145 Cb 0.08 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.78 3iqe h MET 145 CO -0.12 0.15 -0.19 -0.22 0.23 0.00 0.00 176.91 176.77 3iqe h LYS 146 N 0.24 -0.22 -0.03 0.39 1.63 -0.92 -0.63 116.57 117.02 3iqe h LYS 146 Ca 0.33 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.18 3iqe h LYS 146 Cb 0.52 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 3iqe h LYS 146 CO -0.44 -0.15 -0.18 0.28 -3.45 0.00 0.00 179.45 175.51 3iqe h VAL 147 N -0.23 0.56 -0.33 2.00 2.07 -0.92 0.65 116.25 120.05 3iqe h VAL 147 Ca 0.10 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 3iqe h VAL 147 Cb 0.38 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3iqe h VAL 147 CO -0.27 0.00 -0.22 -0.07 0.02 0.00 0.00 177.57 177.03 3iqe h LEU 148 N -0.28 0.63 0.42 2.57 3.38 -1.00 -2.06 115.31 118.97 3iqe h LEU 148 Ca 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3iqe h LEU 148 Cb 0.37 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3iqe h LEU 148 CO -0.19 0.85 -0.20 0.00 0.09 0.00 0.00 178.44 178.99 3iqe h ALA 149 N 1.20 -0.69 0.00 1.53 0.00 -1.07 -0.98 119.26 119.26 3iqe h ALA 149 Ca 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3iqe h ALA 149 Cb 0.69 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3iqe h ALA 149 CO 0.05 -0.65 -0.20 0.00 0.00 0.00 0.00 179.25 178.46 3iqe h ALA 150 N -1.38 1.50 0.00 0.00 0.00 -0.87 -2.13 119.26 116.39 3iqe h ALA 150 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3iqe h ALA 150 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3iqe h ALA 150 CO 0.09 0.24 0.00 1.79 0.00 0.00 0.00 179.25 181.38 3iqe h THR 151 N 0.00 0.00 0.00 0.00 1.35 -1.54 -3.44 112.91 109.28 3iqe h THR 151 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3iqe h THR 151 Cb 0.39 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3iqe h THR 151 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3iqe n GLY 152 N 1.00 0.69 0.23 5.82 0.00 -0.80 -4.97 105.19 107.15 3iqe n GLY 152 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3iqe n GLY 152 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iqe h VAL 153 N 0.00 1.18 -0.33 1.61 2.07 -1.48 -1.75 116.25 117.55 3iqe h VAL 153 Ca 0.00 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 3iqe h VAL 153 Cb 0.00 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3iqe h VAL 153 CO 0.00 0.20 -0.05 -0.26 0.02 0.00 0.00 177.57 177.47 3iqe h PHE 154 N 0.73 0.57 -0.34 1.57 0.05 -1.49 -1.63 116.94 116.39 3iqe h PHE 154 Ca 0.19 -0.07 -0.05 0.00 3.82 0.00 0.00 57.97 61.86 3iqe h PHE 154 Cb 0.05 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 37.82 3iqe h PHE 154 CO -0.01 0.59 0.00 -0.09 -0.18 0.00 0.00 178.31 178.62 3iqe h ARG 155 N 0.51 0.53 -0.42 1.51 2.43 -1.63 0.90 114.38 118.21 3iqe h ARG 155 Ca 0.10 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3iqe h ARG 155 Cb 0.41 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3iqe h ARG 155 CO 0.02 0.56 0.17 0.28 -1.51 0.00 0.00 179.97 179.49 3iqe h VAL 156 N 0.51 1.20 0.21 0.20 2.07 -0.49 -1.46 116.25 118.49 3iqe h VAL 156 Ca 0.11 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.03 3iqe h VAL 156 Cb 0.33 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3iqe h VAL 156 CO 0.01 0.22 -0.25 0.58 0.02 0.00 0.00 177.57 178.16 3iqe h VAL 157 N 0.53 0.47 -0.74 2.57 2.07 -1.17 -1.26 116.25 118.71 3iqe h VAL 157 Ca 0.14 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.81 3iqe h VAL 157 Cb 0.19 0.47 -0.14 0.00 -1.52 0.00 0.00 31.29 30.28 3iqe h VAL 157 CO -0.01 0.00 -0.20 -0.61 0.02 0.00 0.00 177.57 176.77 3iqe h GLN 158 N -0.50 -0.01 -0.63 1.57 4.15 -0.70 -1.23 115.11 117.76 3iqe h GLN 158 Ca 0.01 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 3iqe h GLN 158 Cb 0.48 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 3iqe h GLN 158 CO -0.08 -0.01 0.13 0.93 -1.93 0.00 0.00 178.83 177.87 3iqe h GLU 159 N -0.01 1.02 -0.36 1.69 5.08 -1.08 0.12 114.58 121.04 3iqe h GLU 159 Ca 0.35 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3iqe h GLU 159 Cb 0.55 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3iqe h GLU 159 CO -0.77 0.94 0.16 0.00 -1.00 0.00 0.00 179.01 178.34 3iqe h ALA 160 N 1.04 0.47 -0.06 3.43 0.00 -0.53 -1.85 119.26 121.76 3iqe h ALA 160 Ca 0.19 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3iqe h ALA 160 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3iqe h ALA 160 CO 0.01 0.04 -0.64 0.74 0.00 0.00 0.00 179.25 179.40 3iqe h PHE 161 N 0.44 0.30 -0.20 0.00 0.05 -1.16 -3.03 116.94 113.34 3iqe h PHE 161 Ca 0.12 -0.12 -0.09 0.00 3.82 0.00 0.00 57.97 61.71 3iqe h PHE 161 Cb 0.14 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 3iqe h PHE 161 CO -0.01 0.80 -0.25 -0.44 -0.18 0.00 0.00 178.31 178.23 3iqe h ASP 162 N 0.16 0.38 -0.31 2.17 3.45 -0.42 -0.24 116.42 121.61 3iqe h ASP 162 Ca -0.01 -0.12 -0.13 0.00 0.43 0.00 0.00 57.03 57.20 3iqe h ASP 162 Cb 1.16 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.82 3iqe h ASP 162 CO 0.10 0.63 -0.27 -0.33 -1.57 0.00 0.00 179.24 177.80 3iqe h GLU 163 N 0.34 0.81 -0.28 3.56 5.08 -1.31 -1.63 114.58 121.15 3iqe h GLU 163 Ca 0.05 -0.36 -0.16 0.00 -1.00 0.00 0.00 59.36 57.90 3iqe h GLU 163 Cb 0.63 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3iqe h GLU 163 CO 0.05 0.99 -0.44 1.25 -1.00 0.00 0.00 179.01 179.85 3iqe h LEU 164 N 0.70 0.88 -0.32 1.33 5.85 -1.39 -1.85 115.31 120.51 3iqe h LEU 164 Ca 0.08 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.32 3iqe h LEU 164 Cb 0.81 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3iqe h LEU 164 CO 0.07 1.23 0.13 0.40 -0.34 0.00 0.00 178.44 179.92 3iqe h ILE 165 N 0.56 0.94 -0.91 4.05 2.04 -0.92 0.23 117.51 123.50 3iqe h ILE 165 Ca 0.02 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3iqe h ILE 165 Cb 1.04 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 3iqe h ILE 165 CO 0.10 0.05 0.60 -0.33 0.00 0.00 0.00 178.15 178.57 3iqe h GLU 166 N 0.27 1.18 -0.37 2.37 4.39 -1.19 -0.69 114.58 120.55 3iqe h GLU 166 Ca 0.14 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 3iqe h GLU 166 Cb 0.09 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3iqe h GLU 166 CO -0.13 0.78 -0.13 0.87 -1.16 0.00 0.00 179.01 179.24 3iqe h LYS 167 N 1.21 0.65 0.00 2.33 1.57 -1.07 -2.94 116.57 118.32 3iqe h LYS 167 Ca 0.34 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 3iqe h LYS 167 Cb -0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3iqe h LYS 167 CO -0.09 0.76 -0.24 0.00 -0.57 0.00 0.00 179.45 179.31 3iqe h ALA 168 N 1.27 1.07 0.00 3.86 0.00 -0.07 -0.08 119.26 125.31 3iqe h ALA 168 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iqe h ALA 168 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3iqe h ALA 168 CO 0.04 0.30 0.00 1.63 0.00 0.00 0.00 179.25 181.22 3iqe n LYS 169 N -3.48 0.38 -0.56 0.00 5.02 -0.35 -1.37 118.16 117.80 3iqe n LYS 169 Ca -0.00 0.07 0.03 0.00 -2.02 0.00 0.00 58.31 56.39 3iqe n LYS 169 Cb 0.41 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 34.14 3iqe n LYS 169 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3iqe n GLU 170 N -1.20 2.19 -0.99 1.97 -0.58 -0.05 -4.23 120.64 117.75 3iqe n GLU 170 Ca 0.11 -2.97 0.00 0.00 -0.42 0.00 0.00 57.16 53.88 3iqe n GLU 170 Cb 0.13 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 3iqe n GLU 170 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3iqe n ASP 171 N -0.92 0.00 -2.82 1.62 4.64 -0.47 -4.90 116.55 113.70 3iqe n ASP 171 Ca 0.26 0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.67 3iqe n ASP 171 Cb 0.92 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 41.01 3iqe n ASP 171 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3iqe s GLU 172 N -0.00 0.36 -0.55 -0.67 2.02 -1.26 -5.08 118.70 113.52 3iqe s GLU 172 Ca 0.00 -0.21 -0.22 0.00 0.02 0.00 0.00 54.97 54.56 3iqe s GLU 172 Cb 0.00 0.02 0.05 0.00 0.10 0.00 0.00 34.13 34.30 3iqe s GLU 172 CO 0.00 -0.50 0.83 0.42 0.02 0.00 0.00 175.26 176.04 3iqe s ILE 173 N 1.61 4.55 0.67 -1.63 1.01 -1.26 -4.88 121.20 121.27 3iqe s ILE 173 Ca 0.18 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 3iqe s ILE 173 Cb 0.04 -4.48 0.02 0.00 0.01 0.00 0.00 42.46 38.05 3iqe s ILE 173 CO -0.12 -1.06 1.03 -0.94 0.00 0.00 0.00 174.94 173.85 3iqe s SER 174 N 2.93 5.41 0.30 3.58 1.04 -1.26 -4.87 113.70 120.84 3iqe s SER 174 Ca 0.24 0.92 0.05 0.00 0.48 0.00 0.00 55.95 57.64 3iqe s SER 174 Cb -0.16 -1.77 0.70 0.00 0.10 0.00 0.00 66.02 64.89 3iqe s SER 174 CO 0.15 -1.29 1.80 -0.33 0.98 0.00 0.00 173.24 174.55 3iqe h GLU 175 N -0.50 0.80 0.00 4.02 5.08 -1.96 -2.08 114.58 119.94 3iqe h GLU 175 Ca -0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3iqe h GLU 175 Cb 1.26 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3iqe h GLU 175 CO 0.63 0.53 0.00 -0.91 -1.00 0.00 0.00 179.01 178.25 3iqe h ASN 176 N 0.82 0.00 0.91 1.42 2.35 -1.96 -0.73 115.58 118.39 3iqe h ASN 176 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.30 3iqe h ASN 176 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3iqe h ASN 176 CO -0.34 0.00 -0.27 0.47 -1.65 0.00 0.00 177.43 175.64 3iqe n ASP 177 N -3.04 0.42 -4.73 5.81 10.43 -0.78 -4.90 116.55 119.77 3iqe n ASP 177 Ca -0.01 0.22 -0.41 0.00 2.57 0.00 0.00 54.79 57.16 3iqe n ASP 177 Cb 0.18 -0.21 -0.04 0.00 1.84 0.00 0.00 41.12 42.89 3iqe n ASP 177 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iqe s LEU 178 N -3.51 4.47 0.85 0.64 1.43 -0.28 -4.85 118.68 117.43 3iqe s LEU 178 Ca 0.11 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 54.95 3iqe s LEU 178 Cb 0.16 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.89 3iqe s LEU 178 CO 0.63 -0.15 1.10 -0.81 0.23 0.00 0.00 176.35 177.34 3iqe n PRO 179 N 2.89 -0.05 -3.35 1.29 -0.04 -1.26 -4.83 135.00 129.66 3iqe n PRO 179 Ca 0.03 0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.31 3iqe n PRO 179 Cb 0.48 -2.35 -0.09 0.00 -0.04 0.00 0.00 33.50 31.50 3iqe n PRO 179 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3iqe s LYS 180 N -4.18 0.84 -0.02 0.54 1.02 -1.24 -1.66 119.74 115.04 3iqe s LYS 180 Ca 0.70 -1.81 0.08 0.00 0.02 0.00 0.00 55.97 54.96 3iqe s LYS 180 Cb -0.27 -1.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.79 3iqe s LYS 180 CO 0.55 -1.34 -0.26 -0.51 -0.92 0.00 0.00 175.35 172.86 3iqe s LEU 181 N 0.39 2.05 -0.16 3.17 1.43 -0.14 -4.98 118.68 120.44 3iqe s LEU 181 Ca 0.29 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3iqe s LEU 181 Cb -0.02 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.88 3iqe s LEU 181 CO -0.14 0.31 -0.15 -0.69 0.23 0.00 0.00 176.35 175.91 3iqe s VAL 182 N -0.57 1.65 -0.15 -1.59 1.01 -1.26 -0.43 120.40 119.05 3iqe s VAL 182 Ca 0.09 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3iqe s VAL 182 Cb -0.10 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 3iqe s VAL 182 CO -0.01 0.46 -0.12 -0.63 0.00 0.00 0.00 175.10 174.80 3iqe s ILE 183 N 1.45 3.03 0.09 2.22 1.01 0.80 -4.94 121.20 124.87 3iqe s ILE 183 Ca 0.05 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 3iqe s ILE 183 Cb -0.13 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3iqe s ILE 183 CO -0.11 0.51 0.12 -0.90 0.00 0.00 0.00 174.94 174.56 3iqe n ASP 184 N 3.79 -0.35 -0.37 3.58 5.68 -1.26 -1.05 116.55 126.57 3iqe n ASP 184 Ca -0.18 -1.48 -0.03 0.00 -0.50 0.00 0.00 54.79 52.60 3iqe n ASP 184 Cb 0.52 0.64 0.02 0.00 -1.14 0.00 0.00 41.12 41.16 3iqe n ASP 184 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3iqe n ARG 185 N -0.15 -0.26 0.00 0.11 0.63 -1.26 -1.13 116.66 114.61 3iqe n ARG 185 Ca 0.00 1.47 0.04 0.00 -0.92 0.00 0.00 57.85 58.44 3iqe n ARG 185 Cb 0.15 -2.17 0.18 0.00 0.45 0.00 0.00 32.46 31.06 3iqe n ARG 185 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3iqe n ASN 186 N -5.37 0.00 0.03 6.15 3.02 -1.26 -2.35 115.26 115.48 3iqe n ASN 186 Ca 0.08 0.48 0.01 0.00 -0.03 0.00 0.00 54.58 55.13 3iqe n ASN 186 Cb 0.36 -0.49 0.35 0.00 -0.61 0.00 0.00 39.78 39.39 3iqe n ASN 186 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3iqe h THR 187 N 0.00 1.17 -0.29 3.41 2.02 -1.49 -1.87 112.91 115.86 3iqe h THR 187 Ca 0.00 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 66.64 3iqe h THR 187 Cb 0.14 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3iqe h THR 187 CO 0.00 0.22 0.22 -0.07 0.37 0.00 0.00 175.52 176.25 3iqe h LEU 188 N 0.46 0.00 -0.08 2.58 3.38 -1.62 -2.55 115.31 117.47 3iqe h LEU 188 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iqe h LEU 188 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3iqe h LEU 188 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3iqe n LEU 189 N -4.37 0.10 -0.61 1.67 4.77 -0.70 -2.46 117.00 115.41 3iqe n LEU 189 Ca 0.04 0.52 0.06 0.00 -0.03 0.00 0.00 56.01 56.60 3iqe n LEU 189 Cb 0.38 -0.50 0.16 0.00 -2.33 0.00 0.00 43.42 41.12 3iqe n LEU 189 CO 0.35 -0.24 0.63 -0.62 -1.33 0.00 0.00 177.39 176.17 3iqe n GLU 190 N -1.61 2.85 -3.97 3.23 1.02 -0.96 -5.00 120.64 116.19 3iqe n GLU 190 Ca 0.04 -2.18 -0.23 0.00 -0.02 0.00 0.00 57.16 54.77 3iqe n GLU 190 Cb 0.21 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 3iqe n GLU 190 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3iqe s ARG 191 N -1.45 2.33 -0.38 3.49 0.52 -1.03 -5.05 118.95 117.37 3iqe s ARG 191 Ca 0.25 -1.72 0.07 0.00 -0.52 0.00 0.00 55.73 53.81 3iqe s ARG 191 Cb 0.16 -2.11 0.44 0.00 0.52 0.00 0.00 34.95 33.95 3iqe s ARG 191 CO 0.12 -0.10 1.12 -1.91 0.02 0.00 0.00 175.30 174.54 3iqe n GLU 192 N -1.31 3.22 0.01 3.54 4.07 -1.26 -4.87 120.64 124.04 3iqe n GLU 192 Ca -0.00 -4.28 -0.13 0.00 -0.06 0.00 0.00 57.16 52.69 3iqe n GLU 192 Cb 0.63 -2.15 -0.09 0.00 -0.06 0.00 0.00 31.44 29.77 3iqe n GLU 192 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3iqe h GLU 193 N 2.51 -0.04 -5.25 5.31 4.57 -1.97 -3.44 114.58 116.27 3iqe h GLU 193 Ca 0.27 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.84 3iqe h GLU 193 Cb 1.11 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 29.56 3iqe h GLU 193 CO 0.77 0.40 -0.54 -0.06 -1.18 0.00 0.00 179.01 178.40 3iqe s PHE 194 N -4.38 3.29 0.12 0.92 0.08 -1.26 -4.61 117.98 112.14 3iqe s PHE 194 Ca -0.15 0.14 -0.00 0.00 0.12 0.00 0.00 56.93 57.03 3iqe s PHE 194 Cb 0.02 -2.12 -0.16 0.00 -0.57 0.00 0.00 43.02 40.18 3iqe s PHE 194 CO 0.65 0.16 1.26 1.49 -0.10 0.00 0.00 175.22 178.69 3iqe h GLU 195 N 6.81 0.21 -5.29 0.44 4.22 -1.86 -3.44 114.58 115.67 3iqe h GLU 195 Ca -0.38 -0.30 -0.61 0.00 0.08 0.00 0.00 59.36 58.15 3iqe h GLU 195 Cb 1.16 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 30.39 3iqe h GLU 195 CO 0.71 1.08 -0.35 1.21 -2.18 0.00 0.00 179.01 179.49 3iqe s ASN 196 N -7.00 6.30 0.43 1.04 2.47 -1.26 -4.99 114.94 111.93 3iqe s ASN 196 Ca -0.03 0.34 0.14 0.00 0.42 0.00 0.00 52.86 53.73 3iqe s ASN 196 Cb 0.09 -2.17 0.92 0.00 -1.45 0.00 0.00 41.25 38.64 3iqe s ASN 196 CO 0.85 0.01 1.95 1.55 -3.72 0.00 0.00 177.10 177.74 3iqe h PRO 197 N 7.32 0.00 -0.12 0.43 0.13 -2.00 -1.88 132.00 135.88 3iqe h PRO 197 Ca -0.38 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.62 3iqe h PRO 197 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3iqe h PRO 197 CO 0.70 0.23 -0.50 1.88 -0.23 0.00 0.00 178.00 180.09 3iqe h TYR 198 N 0.00 0.39 -0.52 1.56 0.05 -1.98 -1.14 116.97 115.33 3iqe h TYR 198 Ca -0.00 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3iqe h TYR 198 Cb 0.41 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 3iqe h TYR 198 CO 0.00 0.75 0.34 0.00 -1.05 0.00 0.00 178.16 178.21 3iqe h ALA 199 N 1.22 0.66 -0.41 3.88 0.00 -1.71 -1.26 119.26 121.65 3iqe h ALA 199 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3iqe h ALA 199 Cb 0.97 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3iqe h ALA 199 CO 0.08 0.10 0.23 1.98 0.00 0.00 0.00 179.25 181.64 3iqe h MET 200 N 0.70 0.45 0.00 0.00 1.85 -0.85 -1.32 114.93 115.76 3iqe h MET 200 Ca 0.19 -0.03 -0.09 0.00 -0.61 0.00 0.00 59.70 59.16 3iqe h MET 200 Cb -0.08 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 31.83 3iqe h MET 200 CO -0.04 0.30 -0.44 -0.39 -0.40 0.00 0.00 176.91 175.94 3iqe h VAL 201 N 0.46 0.92 -0.28 -5.77 -1.51 -0.88 -1.11 116.25 108.08 3iqe h VAL 201 Ca 0.17 -1.81 -0.08 0.00 -1.23 0.00 0.00 66.70 63.75 3iqe h VAL 201 Cb 0.03 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 3iqe h VAL 201 CO -0.09 0.43 -0.15 0.11 -1.23 0.00 0.00 177.57 176.65 3iqe h LYS 202 N 0.00 0.59 -0.68 5.19 1.57 -1.09 -1.58 116.57 120.58 3iqe h LYS 202 Ca -0.00 -0.27 0.07 0.00 -1.87 0.00 0.00 60.65 58.58 3iqe h LYS 202 Cb 1.07 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 3iqe h LYS 202 CO 0.06 0.84 0.36 0.00 -0.57 0.00 0.00 179.45 180.13 3iqe h ALA 203 N 0.74 0.91 -0.55 3.86 0.00 -0.75 -0.09 119.26 123.37 3iqe h ALA 203 Ca 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iqe h ALA 203 Cb 0.67 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3iqe h ALA 203 CO 0.04 0.00 0.30 0.52 0.00 0.00 0.00 179.25 180.11 3iqe h MET 204 N 0.64 0.78 -0.04 0.00 2.86 -1.14 -0.88 114.93 117.15 3iqe h MET 204 Ca 0.31 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3iqe h MET 204 Cb 0.26 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3iqe h MET 204 CO -0.22 0.60 0.02 0.00 1.06 0.00 0.00 176.91 178.38 3iqe h ALA 205 N 1.13 0.05 -0.55 6.32 0.00 -0.90 0.16 119.26 125.47 3iqe h ALA 205 Ca 0.19 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3iqe h ALA 205 Cb 0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3iqe h ALA 205 CO -0.03 -0.43 0.11 0.00 0.00 0.00 0.00 179.25 178.90 3iqe h ALA 206 N 0.97 0.63 -0.19 0.00 0.00 -0.65 -0.50 119.26 119.52 3iqe h ALA 206 Ca 0.01 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3iqe h ALA 206 Cb 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3iqe h ALA 206 CO -0.00 -0.31 -0.35 -0.07 0.00 0.00 0.00 179.25 178.52 3iqe h LEU 207 N 0.24 0.41 0.01 0.00 3.38 -0.66 -0.10 115.31 118.59 3iqe h LEU 207 Ca 0.28 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iqe h LEU 207 Cb 0.40 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3iqe h LEU 207 CO -0.37 0.74 -0.00 -0.08 0.09 0.00 0.00 178.44 178.82 3iqe h GLU 208 N 0.34 -0.01 -0.46 1.13 4.57 -0.20 -1.12 114.58 118.83 3iqe h GLU 208 Ca 0.04 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3iqe h GLU 208 Cb 0.79 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.35 3iqe h GLU 208 CO 0.06 0.17 0.27 0.82 -1.18 0.00 0.00 179.01 179.16 3iqe h ILE 209 N -0.19 1.04 -0.76 2.32 2.04 -0.91 -1.41 117.51 119.64 3iqe h ILE 209 Ca -0.00 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3iqe h ILE 209 Cb 0.18 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3iqe h ILE 209 CO 0.00 0.10 0.50 0.00 0.00 0.00 0.00 178.15 178.75 3iqe h ALA 210 N 1.21 1.51 -0.28 1.87 0.00 -0.92 -1.11 119.26 121.53 3iqe h ALA 210 Ca 0.19 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3iqe h ALA 210 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3iqe h ALA 210 CO -0.09 0.43 -0.50 1.49 0.00 0.00 0.00 179.25 180.59 3iqe h GLU 211 N 0.98 0.78 0.00 0.00 4.81 -0.68 -2.87 114.58 117.60 3iqe h GLU 211 Ca 0.29 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 3iqe h GLU 211 Cb -0.03 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3iqe h GLU 211 CO -0.08 1.10 -0.15 -0.91 -0.73 0.00 0.00 179.01 178.24 3iqe h ASN 212 N 0.61 0.00 -0.37 1.04 2.35 -0.54 -2.96 115.58 115.72 3iqe h ASN 212 Ca 0.03 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3iqe h ASN 212 Cb 1.08 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.41 3iqe h ASN 212 CO 0.11 0.15 0.13 0.58 -1.65 0.00 0.00 177.43 176.74 3iqe h VAL 213 N 0.00 0.89 -0.92 2.81 2.07 -0.99 -2.58 116.25 117.53 3iqe h VAL 213 Ca -0.00 -0.09 0.25 0.00 0.82 0.00 0.00 66.70 67.67 3iqe h VAL 213 Cb 0.46 0.59 -0.16 0.00 -1.52 0.00 0.00 31.29 30.65 3iqe h VAL 213 CO 0.02 0.05 0.08 0.00 0.02 0.00 0.00 177.57 177.74 3iqe h ALA 214 N 1.24 1.14 -0.48 1.67 0.00 -1.61 -0.13 119.26 121.08 3iqe h ALA 214 Ca 0.17 0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 3iqe h ALA 214 Cb 0.15 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3iqe h ALA 214 CO -0.17 -0.53 0.01 -0.44 0.00 0.00 0.00 179.25 178.12 3iqe h ASP 215 N 0.07 0.76 -0.20 0.00 3.45 -1.62 -1.97 116.42 116.90 3iqe h ASP 215 Ca 0.56 -0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.81 3iqe h ASP 215 Cb 1.13 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.69 3iqe h ASP 215 CO -0.81 0.82 0.01 0.58 -1.57 0.00 0.00 179.24 178.27 3iqe h VAL 216 N 0.74 1.25 -0.60 -1.35 2.07 -0.98 -1.65 116.25 115.72 3iqe h VAL 216 Ca 0.15 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.86 3iqe h VAL 216 Cb 0.44 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3iqe h VAL 216 CO 0.02 0.25 0.37 0.28 0.02 0.00 0.00 177.57 178.51 3iqe h SER 217 N 0.12 0.60 -0.42 0.57 0.02 -1.34 -0.57 113.55 112.54 3iqe h SER 217 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3iqe h SER 217 Cb 0.37 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3iqe h SER 217 CO 0.01 0.42 0.21 0.58 -1.14 0.00 0.00 176.83 176.90 3iqe h VAL 218 N 0.73 1.17 -0.17 2.27 2.07 -1.24 0.28 116.25 121.36 3iqe h VAL 218 Ca 0.24 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3iqe h VAL 218 Cb 0.02 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3iqe h VAL 218 CO -0.10 0.19 0.10 -0.08 0.02 0.00 0.00 177.57 177.70 3iqe h GLU 219 N 0.54 0.21 0.00 1.57 4.81 -1.10 0.14 114.58 120.74 3iqe h GLU 219 Ca 0.14 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3iqe h GLU 219 Cb 0.11 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3iqe h GLU 219 CO -0.02 0.14 -0.43 0.78 -0.73 0.00 0.00 179.01 178.74 3iqe h GLY 220 N 0.21 0.00 0.31 1.92 0.00 -0.50 -0.87 103.07 104.14 3iqe h GLY 220 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.14 3iqe h GLY 220 CO -0.03 0.00 -2.05 0.00 0.00 0.00 0.00 176.54 174.46 3iqe n PHE 222 N -2.73 0.00 -0.04 0.00 3.72 0.46 -4.93 117.46 113.94 3iqe n PHE 222 Ca -0.22 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.13 3iqe n PHE 222 Cb 0.98 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.51 3iqe n PHE 222 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3iqe n VAL 223 N -1.27 1.17 -2.05 -4.37 0.31 -0.77 -4.97 118.33 106.39 3iqe n VAL 223 Ca 0.00 0.24 -0.42 0.00 -0.01 0.00 0.00 64.34 64.15 3iqe n VAL 223 Cb 0.00 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 30.91 3iqe n VAL 223 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3iqe s GLU 224 N -2.35 4.23 0.00 5.55 2.56 -0.40 -4.92 118.70 123.37 3iqe s GLU 224 Ca -0.17 2.19 0.20 0.00 0.00 0.00 0.00 54.97 57.18 3iqe s GLU 224 Cb 0.02 -3.56 -0.09 0.00 2.00 0.00 0.00 34.13 32.51 3iqe s GLU 224 CO 0.25 -0.66 0.92 1.04 -0.56 0.00 0.00 175.26 176.25 3iqe n GLN 225 N 5.38 1.12 -3.47 4.30 1.13 -1.26 -4.77 117.38 119.82 3iqe n GLN 225 Ca 0.15 -0.54 -0.38 0.00 -1.94 0.00 0.00 57.00 54.28 3iqe n GLN 225 Cb 0.42 -1.40 -0.09 0.00 0.11 0.00 0.00 30.24 29.28 3iqe n GLN 225 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3iqe s ASP 226 N -2.48 6.25 0.34 1.08 3.68 -1.26 -4.96 116.67 119.32 3iqe s ASP 226 Ca 0.13 0.29 0.07 0.00 2.13 0.00 0.00 52.55 55.17 3iqe s ASP 226 Cb 0.15 -2.18 0.62 0.00 -1.45 0.00 0.00 42.92 40.05 3iqe s ASP 226 CO 0.62 -0.08 1.82 0.07 0.13 0.00 0.00 175.17 177.72 3iqe h LYS 227 N 7.81 0.28 -0.06 4.34 2.10 -1.97 0.27 116.57 129.34 3iqe h LYS 227 Ca -0.35 -0.09 0.02 0.00 -2.00 0.00 0.00 60.65 58.23 3iqe h LYS 227 Cb 1.17 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3iqe h LYS 227 CO 0.66 0.51 0.11 0.93 -2.00 0.00 0.00 179.45 179.65 3iqe h GLU 228 N 0.25 0.00 0.00 0.07 5.08 -2.01 -2.31 114.58 115.66 3iqe h GLU 228 Ca 0.04 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.00 3iqe h GLU 228 Cb 0.56 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 3iqe h GLU 228 CO 0.04 0.00 -2.44 0.54 -1.00 0.00 0.00 179.01 176.15 3iqe n ARG 229 N -3.51 0.59 0.18 2.33 1.74 -0.45 -4.46 116.66 113.07 3iqe n ARG 229 Ca -0.01 0.19 0.04 0.00 -0.77 0.00 0.00 57.85 57.30 3iqe n ARG 229 Cb 0.19 -1.47 0.28 0.00 -1.02 0.00 0.00 32.46 30.44 3iqe n ARG 229 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3iqe h TYR 230 N -0.45 0.00 -0.06 -1.55 -0.00 -0.43 -2.23 116.97 112.26 3iqe h TYR 230 Ca -0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.10 3iqe h TYR 230 Cb 1.73 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.46 3iqe h TYR 230 CO -0.03 0.42 -0.06 0.28 -0.00 0.00 0.00 178.16 178.78 3iqe h VAL 231 N 0.00 1.38 -0.79 -0.90 2.07 -1.66 -1.33 116.25 115.01 3iqe h VAL 231 Ca -0.00 -1.23 0.15 0.00 0.82 0.00 0.00 66.70 66.44 3iqe h VAL 231 Cb 0.99 2.07 -0.10 0.00 -1.52 0.00 0.00 31.29 32.73 3iqe h VAL 231 CO 0.06 0.34 0.33 -0.65 0.02 0.00 0.00 177.57 177.66 3iqe h PRO 232 N -0.31 0.45 -0.43 1.57 0.11 -1.77 -2.05 132.00 129.58 3iqe h PRO 232 Ca 0.01 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3iqe h PRO 232 Cb 0.57 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3iqe h PRO 232 CO 0.01 0.30 0.14 0.82 -0.21 0.00 0.00 178.00 179.07 3iqe h ILE 233 N 0.47 1.21 -0.14 4.15 2.04 -1.13 -0.06 117.51 124.05 3iqe h ILE 233 Ca 0.44 -0.70 -0.19 0.00 1.00 0.00 0.00 64.86 65.42 3iqe h ILE 233 Cb 0.69 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3iqe h ILE 233 CO -0.42 0.25 -0.68 -0.37 0.00 0.00 0.00 178.15 176.93 3iqe h VAL 234 N 0.55 1.33 -0.70 1.67 -1.51 -1.00 -2.69 116.25 113.91 3iqe h VAL 234 Ca 0.14 -1.98 -0.05 0.00 -1.23 0.00 0.00 66.70 63.58 3iqe h VAL 234 Cb 0.25 1.96 -0.03 0.00 -2.13 0.00 0.00 31.29 31.33 3iqe h VAL 234 CO -0.01 0.61 0.23 0.00 -1.23 0.00 0.00 177.57 177.17 3iqe h ALA 235 N 0.83 1.08 -0.85 5.19 0.00 -1.14 -2.17 119.26 122.20 3iqe h ALA 235 Ca -0.02 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3iqe h ALA 235 Cb 1.27 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3iqe h ALA 235 CO 0.13 0.63 0.55 0.66 0.00 0.00 0.00 179.25 181.22 3iqe h SER 236 N 1.04 0.81 -0.49 0.00 4.64 -0.69 -1.38 113.55 117.47 3iqe h SER 236 Ca 0.23 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.49 3iqe h SER 236 Cb 0.28 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3iqe h SER 236 CO -0.01 0.51 0.06 0.00 -0.87 0.00 0.00 176.83 176.52 3iqe h ALA 237 N 1.55 1.07 -0.53 5.18 0.00 -1.10 -1.77 119.26 123.66 3iqe h ALA 237 Ca 0.37 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3iqe h ALA 237 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3iqe h ALA 237 CO -0.14 0.59 -0.08 0.45 0.00 0.00 0.00 179.25 180.07 3iqe h HIS 238 N 0.84 1.07 -0.84 0.00 3.86 -1.06 -2.10 115.15 116.92 3iqe h HIS 238 Ca 0.17 -0.20 0.03 0.00 -1.16 0.00 0.00 60.37 59.20 3iqe h HIS 238 Cb 0.42 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.57 3iqe h HIS 238 CO 0.02 0.99 0.55 0.93 0.86 0.00 0.00 177.93 181.29 3iqe h GLU 239 N 0.87 1.03 0.05 2.45 4.39 -0.83 -1.76 114.58 120.77 3iqe h GLU 239 Ca 0.14 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3iqe h GLU 239 Cb 0.62 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3iqe h GLU 239 CO 0.04 0.68 -0.02 0.52 -1.16 0.00 0.00 179.01 179.07 3iqe h MET 240 N 1.06 -0.06 -0.08 2.33 2.86 -1.10 -2.25 114.93 117.69 3iqe h MET 240 Ca 0.33 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.93 3iqe h MET 240 Cb 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3iqe h MET 240 CO -0.09 0.04 -0.14 1.98 1.06 0.00 0.00 176.91 179.76 3iqe h MET 241 N -0.14 0.12 -0.48 1.72 1.85 -1.03 0.37 114.93 117.34 3iqe h MET 241 Ca -0.01 -0.02 -0.10 0.00 -0.61 0.00 0.00 59.70 58.96 3iqe h MET 241 Cb 0.12 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 3iqe h MET 241 CO 0.01 0.26 -0.11 -0.09 -0.40 0.00 0.00 176.91 176.58 3iqe h ARG 242 N 0.11 0.88 -0.04 0.39 2.43 -1.06 -1.41 114.38 115.69 3iqe h ARG 242 Ca 0.02 -0.31 -0.17 0.00 -0.81 0.00 0.00 59.98 58.72 3iqe h ARG 242 Cb 0.32 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3iqe h ARG 242 CO 0.02 0.94 -0.71 0.87 -1.51 0.00 0.00 179.97 179.58 3iqe h LYS 243 N 0.79 0.21 -0.85 0.20 1.79 -0.54 -2.43 116.57 115.73 3iqe h LYS 243 Ca 0.13 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3iqe h LYS 243 Cb 0.63 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.27 3iqe h LYS 243 CO 0.04 0.83 0.53 0.00 -1.08 0.00 0.00 179.45 179.78 3iqe h ALA 244 N 1.12 1.08 -0.40 3.86 0.00 -0.71 -0.95 119.26 123.25 3iqe h ALA 244 Ca -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3iqe h ALA 244 Cb 1.27 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3iqe h ALA 244 CO 0.11 0.53 -0.10 0.00 0.00 0.00 0.00 179.25 179.79 3iqe h ALA 245 N 1.29 1.07 -0.23 0.00 0.00 -1.09 -1.13 119.26 119.16 3iqe h ALA 245 Ca 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iqe h ALA 245 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3iqe h ALA 245 CO -0.06 0.57 0.13 0.93 0.00 0.00 0.00 179.25 180.82 3iqe h GLU 246 N 0.65 0.33 -0.93 0.00 5.08 -0.93 -1.09 114.58 117.68 3iqe h GLU 246 Ca 0.11 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 3iqe h GLU 246 Cb 0.55 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 3iqe h GLU 246 CO 0.03 0.30 0.57 -0.07 -1.00 0.00 0.00 179.01 178.85 3iqe h LEU 247 N 0.27 0.84 -0.63 1.33 3.38 -0.80 -0.56 115.31 119.14 3iqe h LEU 247 Ca 0.08 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3iqe h LEU 247 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3iqe h LEU 247 CO -0.01 0.47 -0.42 0.00 0.09 0.00 0.00 178.44 178.57 3iqe h ALA 248 N 1.50 0.81 -0.43 1.53 0.00 -0.85 -0.39 119.26 121.41 3iqe h ALA 248 Ca 0.45 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3iqe h ALA 248 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3iqe h ALA 248 CO -0.25 0.65 0.19 0.22 0.00 0.00 0.00 179.25 180.06 3iqe h ASP 249 N 0.49 0.58 -0.88 0.00 3.58 -0.85 -1.05 116.42 118.29 3iqe h ASP 249 Ca 0.04 -0.15 0.05 0.00 0.42 0.00 0.00 57.03 57.38 3iqe h ASP 249 Cb 0.94 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.78 3iqe h ASP 249 CO 0.08 0.57 0.56 -0.33 -2.88 0.00 0.00 179.24 177.24 3iqe h GLU 250 N 0.55 1.03 -0.44 0.28 5.08 -0.61 0.44 114.58 120.90 3iqe h GLU 250 Ca 0.14 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3iqe h GLU 250 Cb 0.16 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3iqe h GLU 250 CO -0.01 0.68 0.12 0.00 -1.00 0.00 0.00 179.01 178.80 3iqe h ALA 251 N 1.38 0.57 -0.53 3.43 0.00 -0.64 -1.99 119.26 121.49 3iqe h ALA 251 Ca 0.36 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3iqe h ALA 251 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3iqe h ALA 251 CO -0.14 0.24 -0.11 -0.09 0.00 0.00 0.00 179.25 179.14 3iqe h ARG 252 N 0.57 1.01 -0.94 0.00 2.43 -0.09 -2.22 114.38 115.14 3iqe h ARG 252 Ca 0.14 -0.38 0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3iqe h ARG 252 Cb 0.29 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 3iqe h ARG 252 CO -0.00 1.06 0.58 0.93 -1.51 0.00 0.00 179.97 181.04 3iqe h GLU 253 N 0.89 0.97 -0.86 0.20 4.39 -0.81 -1.28 114.58 118.09 3iqe h GLU 253 Ca 0.14 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.79 3iqe h GLU 253 Cb 0.68 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 3iqe h GLU 253 CO 0.05 0.64 0.57 -0.07 -1.16 0.00 0.00 179.01 179.04 3iqe h LEU 254 N 1.00 0.98 -0.54 1.33 3.38 -0.75 -0.62 115.31 120.09 3iqe h LEU 254 Ca 0.43 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.24 3iqe h LEU 254 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3iqe h LEU 254 CO -0.21 0.70 -0.35 -0.33 0.09 0.00 0.00 178.44 178.34 3iqe h GLU 255 N 1.15 0.81 -0.81 1.13 4.39 -1.09 -2.78 114.58 117.37 3iqe h GLU 255 Ca 0.32 -0.39 0.03 0.00 0.34 0.00 0.00 59.36 59.65 3iqe h GLU 255 Cb -0.11 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 3iqe h GLU 255 CO -0.07 1.03 0.52 0.87 -1.16 0.00 0.00 179.01 180.20 3iqe h LYS 256 N 0.67 1.00 0.00 2.33 1.57 -0.74 0.42 116.57 121.83 3iqe h LYS 256 Ca 0.07 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iqe h LYS 256 Cb 0.90 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 3iqe h LYS 256 CO 0.08 0.66 -0.01 0.66 -0.57 0.00 0.00 179.45 180.28 3iqe h SER 257 N 1.03 0.00 -0.55 0.86 4.64 -0.85 -0.52 113.55 118.16 3iqe h SER 257 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3iqe h SER 257 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3iqe h SER 257 CO -0.10 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.46 3iqe n ASN 258 N -3.15 3.48 -4.03 4.97 3.02 -0.91 -4.95 115.26 113.71 3iqe n ASN 258 Ca -0.02 -1.99 -0.27 0.00 -0.03 0.00 0.00 54.58 52.27 3iqe n ASN 258 Cb 0.14 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 3iqe n ASN 258 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iqe n ASP 259 N 1.15 -0.16 -1.55 6.41 2.03 -0.20 -4.90 116.55 119.32 3iqe n ASP 259 Ca 0.19 -1.06 0.01 0.00 0.52 0.00 0.00 54.79 54.45 3iqe n ASP 259 Cb 0.53 -2.78 0.08 0.00 -0.72 0.00 0.00 41.12 38.23 3iqe n ASP 259 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iqe n ALA 260 N -4.43 3.08 -2.34 -1.67 0.00 0.09 -4.20 120.51 111.03 3iqe n ALA 260 Ca -0.30 -2.86 -0.43 0.00 0.00 0.00 0.00 53.44 49.85 3iqe n ALA 260 Cb 0.68 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 3iqe n ALA 260 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iqe s VAL 261 N -2.13 4.05 0.15 0.00 1.01 -1.18 -4.61 120.40 117.69 3iqe s VAL 261 Ca 0.36 1.20 -0.31 0.00 0.00 0.00 0.00 61.98 63.23 3iqe s VAL 261 Cb 0.37 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 3iqe s VAL 261 CO -0.09 -0.36 1.55 -0.22 0.00 0.00 0.00 175.10 175.97 3iqe s LEU 262 N 4.40 4.37 -0.03 3.92 2.96 -1.26 -4.34 118.68 128.69 3iqe s LEU 262 Ca 0.60 2.57 0.03 0.00 -0.22 0.00 0.00 54.13 57.11 3iqe s LEU 262 Cb -0.20 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.91 3iqe s LEU 262 CO 0.23 -0.81 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.22 3iqe s ARG 263 N 1.24 1.13 -0.51 1.98 0.52 -0.60 -5.00 118.95 117.71 3iqe s ARG 263 Ca 0.70 -0.35 0.07 0.00 -0.52 0.00 0.00 55.73 55.63 3iqe s ARG 263 Cb -0.43 -1.03 0.28 0.00 0.52 0.00 0.00 34.95 34.29 3iqe s ARG 263 CO 0.31 0.11 0.71 0.25 0.02 0.00 0.00 175.30 176.70 3iqe n THR 264 N 3.35 1.11 -1.62 0.02 -2.24 -1.26 -1.24 114.28 112.41 3iqe n THR 264 Ca -0.19 -4.80 -0.34 0.00 -2.27 0.00 0.00 64.05 56.46 3iqe n THR 264 Cb 0.54 -1.65 0.07 0.00 -2.10 0.00 0.00 70.33 67.18 3iqe n THR 264 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iqe s PRO 265 N -2.22 2.49 0.14 -0.78 0.04 -1.25 -4.62 135.00 128.80 3iqe s PRO 265 Ca 0.40 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 3iqe s PRO 265 Cb 0.21 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.78 3iqe s PRO 265 CO -0.08 -1.53 0.63 -1.01 0.04 0.00 0.00 177.00 175.06 3iqe s HIS 266 N -2.14 3.72 0.81 0.56 3.76 -1.26 -0.28 115.29 120.47 3iqe s HIS 266 Ca 0.71 1.29 -0.11 0.00 -0.15 0.00 0.00 55.06 56.80 3iqe s HIS 266 Cb -0.25 -2.53 0.08 0.00 1.11 0.00 0.00 32.58 30.99 3iqe s HIS 266 CO 0.43 0.47 1.10 0.00 -0.85 0.00 0.00 174.74 175.88 3iqe s ALA 267 N -1.32 2.13 0.53 -1.40 0.00 1.00 -4.91 121.76 117.79 3iqe s ALA 267 Ca 0.36 -0.17 0.21 0.00 0.00 0.00 0.00 51.96 52.36 3iqe s ALA 267 Cb -0.18 -3.13 1.35 0.00 0.00 0.00 0.00 23.12 21.16 3iqe s ALA 267 CO 0.20 -1.83 2.07 -1.35 0.00 0.00 0.00 175.76 174.86 3iqe h PRO 268 N -1.16 0.00 -0.07 0.00 0.11 -1.89 0.87 132.00 129.86 3iqe h PRO 268 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3iqe h PRO 268 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3iqe h PRO 268 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 3iqe n ASP 269 N -4.43 0.81 0.00 -2.05 5.75 -1.26 -0.81 116.55 114.55 3iqe n ASP 269 Ca 0.03 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 3iqe n ASP 269 Cb 0.35 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3iqe n ASP 269 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iqe n GLY 270 N 0.98 0.83 3.69 6.12 0.00 0.30 -4.74 105.19 112.37 3iqe n GLY 270 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3iqe n GLY 270 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iqe n LYS 271 N -2.00 2.19 -2.97 1.61 4.81 -1.26 -4.58 118.16 115.97 3iqe n LYS 271 Ca 0.00 0.78 -0.43 0.00 -0.87 0.00 0.00 58.31 57.79 3iqe n LYS 271 Cb 0.00 -2.43 -0.05 0.00 0.02 0.00 0.00 35.03 32.56 3iqe n LYS 271 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3iqe s VAL 272 N -0.39 4.70 0.65 3.15 1.01 -1.26 -0.00 120.40 128.26 3iqe s VAL 272 Ca 0.63 0.65 -0.00 0.00 0.00 0.00 0.00 61.98 63.26 3iqe s VAL 272 Cb -0.59 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 31.61 3iqe s VAL 272 CO 0.54 -0.57 0.91 -0.76 0.00 0.00 0.00 175.10 175.21 3iqe s LEU 273 N 3.18 3.08 -0.09 3.92 1.43 0.62 -4.99 118.68 125.83 3iqe s LEU 273 Ca 0.30 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 3iqe s LEU 273 Cb -0.13 -2.39 0.04 0.00 0.03 0.00 0.00 46.19 43.74 3iqe s LEU 273 CO 0.20 -1.56 0.41 -0.55 0.23 0.00 0.00 176.35 175.08 3iqe s SER 274 N -4.60 -0.37 0.12 2.29 0.15 -1.26 -3.84 113.70 106.19 3iqe s SER 274 Ca 0.62 0.55 -0.12 0.00 0.70 0.00 0.00 55.95 57.71 3iqe s SER 274 Cb -0.08 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 3iqe s SER 274 CO 0.42 -0.31 0.29 -1.59 1.20 0.00 0.00 173.24 173.25 3iqe s LYS 275 N -0.51 0.99 0.00 5.44 -2.85 -0.37 -2.51 119.74 119.93 3iqe s LYS 275 Ca -0.06 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 3iqe s LYS 275 Cb -0.03 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 3iqe s LYS 275 CO 0.03 -0.36 0.00 0.54 0.10 0.00 0.00 175.35 175.66 3iqe n ARG 276 N -0.15 0.00 -3.03 1.78 5.12 -1.26 -1.56 116.66 117.56 3iqe n ARG 276 Ca -0.14 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.38 3iqe n ARG 276 Cb 0.63 -0.68 -0.05 0.00 -1.16 0.00 0.00 32.46 31.20 3iqe n ARG 276 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3iqe s LYS 277 N -1.88 4.46 0.24 5.56 1.02 -1.26 -3.12 119.74 124.76 3iqe s LYS 277 Ca 0.00 0.99 -0.05 0.00 0.02 0.00 0.00 55.97 56.93 3iqe s LYS 277 Cb 0.00 -3.37 0.44 0.00 -0.52 0.00 0.00 37.83 34.38 3iqe s LYS 277 CO 0.00 0.28 1.72 0.35 -0.92 0.00 0.00 175.35 176.78 3iqe h PHE 278 N 5.76 0.44 -0.01 3.18 3.04 -1.92 -1.85 116.94 125.59 3iqe h PHE 278 Ca -0.44 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.55 3iqe h PHE 278 Cb 1.20 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.63 3iqe h PHE 278 CO 0.65 0.03 -0.17 -1.33 -2.02 0.00 0.00 178.31 175.47 3iqe n MET 279 N -5.04 0.80 -3.29 1.11 2.81 -1.26 -4.92 117.12 107.33 3iqe n MET 279 Ca 0.14 -0.38 -0.39 0.00 -1.81 0.00 0.00 57.70 55.26 3iqe n MET 279 Cb 0.41 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.37 3iqe n MET 279 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3iqe s GLU 280 N -2.46 4.21 0.28 0.03 2.12 -0.70 -5.04 118.70 117.14 3iqe s GLU 280 Ca 0.27 0.66 -0.29 0.00 0.36 0.00 0.00 54.97 55.97 3iqe s GLU 280 Cb 0.20 -3.29 -0.10 0.00 0.26 0.00 0.00 34.13 31.20 3iqe s GLU 280 CO 0.49 0.52 1.36 -0.51 -0.54 0.00 0.00 175.26 176.58 3iqe s ASP 281 N -0.67 6.74 0.35 -1.70 1.11 -1.26 -4.88 116.67 116.35 3iqe s ASP 281 Ca 0.29 2.65 -0.27 0.00 0.18 0.00 0.00 52.55 55.39 3iqe s ASP 281 Cb -0.18 -2.63 -0.09 0.00 1.07 0.00 0.00 42.92 41.08 3iqe s ASP 281 CO 0.17 -0.60 1.16 -2.16 1.18 0.00 0.00 175.17 174.92 3iqe s PRO 282 N -1.06 4.32 0.00 8.23 0.04 -1.26 -4.88 135.00 140.39 3iqe s PRO 282 Ca 0.54 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.45 3iqe s PRO 282 Cb -0.40 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3iqe s PRO 282 CO 0.48 -0.09 0.24 0.39 0.04 0.00 0.00 177.00 178.06