#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 5.28 0.33 12.58 1.01 -1.26 -4.75 120.40 133.59 3iqe s VAL 3 Ca 0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.59 3iqe s VAL 3 Cb 0.00 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 3iqe s VAL 3 CO 0.00 0.02 0.92 0.00 0.00 0.00 0.00 175.10 176.05 3iqe s ALA 4 N 1.74 3.21 0.02 5.51 0.00 -0.34 -4.93 121.76 126.97 3iqe s ALA 4 Ca 0.06 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3iqe s ALA 4 Cb -0.17 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3iqe s ALA 4 CO 0.11 0.18 -0.04 0.15 0.00 0.00 0.00 175.76 176.16 3iqe s LYS 5 N -2.19 0.35 -0.01 0.00 1.02 -1.26 -2.03 119.74 115.61 3iqe s LYS 5 Ca 0.51 -0.55 -0.15 0.00 0.02 0.00 0.00 55.97 55.80 3iqe s LYS 5 Cb -0.17 -0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.09 3iqe s LYS 5 CO 0.22 -0.00 0.31 0.00 -0.92 0.00 0.00 175.35 174.96 3iqe s ALA 6 N -1.16 -0.77 -0.11 5.17 0.00 -1.12 -0.11 121.76 123.67 3iqe s ALA 6 Ca -0.11 0.28 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 3iqe s ALA 6 Cb -0.08 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3iqe s ALA 6 CO -0.00 -0.28 -0.10 0.42 0.00 0.00 0.00 175.76 175.80 3iqe s ILE 7 N -1.49 3.38 -0.12 0.00 1.01 -1.02 -2.57 121.20 120.38 3iqe s ILE 7 Ca -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 3iqe s ILE 7 Cb -0.05 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 3iqe s ILE 7 CO 0.03 0.54 -0.07 -0.36 0.00 0.00 0.00 174.94 175.09 3iqe s PHE 8 N -0.08 2.94 -0.16 3.97 0.40 -0.47 -1.13 117.98 123.46 3iqe s PHE 8 Ca -0.01 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 3iqe s PHE 8 Cb -0.14 -1.86 0.00 0.00 0.51 0.00 0.00 43.02 41.54 3iqe s PHE 8 CO 0.03 0.02 -0.18 0.42 0.70 0.00 0.00 175.22 176.22 3iqe s ILE 9 N 0.04 2.43 -0.24 0.64 1.01 0.10 -0.75 121.20 124.42 3iqe s ILE 9 Ca -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3iqe s ILE 9 Cb -0.14 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.37 3iqe s ILE 9 CO 0.03 0.53 -0.13 -0.54 0.00 0.00 0.00 174.94 174.83 3iqe s LYS 10 N 0.89 2.42 -0.12 2.79 1.02 -0.20 -0.80 119.74 125.74 3iqe s LYS 10 Ca -0.04 -1.22 -0.01 0.00 0.02 0.00 0.00 55.97 54.72 3iqe s LYS 10 Cb -0.15 -2.82 0.03 0.00 -0.52 0.00 0.00 37.83 34.37 3iqe s LYS 10 CO -0.02 -0.48 -0.07 0.00 -0.92 0.00 0.00 175.35 173.86 3iqe n GLY 12 N 4.94 -1.58 3.07 0.00 0.00 0.15 -4.10 105.19 107.67 3iqe n GLY 12 Ca -0.12 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.66 1.98 0.11 1.61 2.47 -1.26 -4.72 114.94 111.46 3iqe s ASN 13 Ca 0.00 -0.33 0.05 0.00 0.42 0.00 0.00 52.86 53.00 3iqe s ASN 13 Cb 0.00 -0.79 -0.04 0.00 -1.45 0.00 0.00 41.25 38.97 3iqe s ASN 13 CO 0.00 0.08 -0.13 -0.22 -3.72 0.00 0.00 177.10 173.11 3iqe s LEU 14 N 0.43 2.38 0.34 3.21 2.96 -1.26 -4.65 118.68 122.10 3iqe s LEU 14 Ca -0.11 -0.78 0.03 0.00 -0.22 0.00 0.00 54.13 53.04 3iqe s LEU 14 Cb -0.14 -0.49 0.62 0.00 0.50 0.00 0.00 46.19 46.68 3iqe s LEU 14 CO 0.04 -0.16 1.96 1.23 -1.32 0.00 0.00 176.35 178.10 3iqe h GLY 15 N 3.66 0.78 1.55 7.98 0.00 -1.93 -2.69 103.07 112.42 3iqe h GLY 15 Ca -0.39 -0.35 -0.21 0.00 0.00 0.00 0.00 47.33 46.38 3iqe h GLY 15 CO 0.49 0.33 -0.84 -0.84 0.00 0.00 0.00 176.54 175.68 3iqe h THR 16 N 0.74 1.39 0.00 4.70 2.02 -1.97 -3.18 112.91 116.61 3iqe h THR 16 Ca 0.19 -2.30 -0.10 0.00 0.77 0.00 0.00 66.41 64.97 3iqe h THR 16 Cb 0.06 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 3iqe h THR 16 CO -0.03 0.69 -0.46 0.77 0.37 0.00 0.00 175.52 176.86 3iqe h SER 17 N 0.26 0.00 -0.76 4.18 4.64 -1.90 -1.69 113.55 118.28 3iqe h SER 17 Ca -0.06 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3iqe h SER 17 Cb 1.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.51 3iqe h SER 17 CO 0.15 0.46 0.29 -0.03 -0.87 0.00 0.00 176.83 176.83 3iqe h MET 18 N 0.00 1.16 -0.00 4.77 4.05 -1.46 -3.31 114.93 120.13 3iqe h MET 18 Ca -0.00 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 3iqe h MET 18 Cb 1.14 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 3iqe h MET 18 CO 0.06 0.95 -0.56 -1.33 0.23 0.00 0.00 176.91 176.26 3iqe n MET 19 N -4.27 2.48 -0.17 0.39 2.81 -1.14 -4.77 117.12 112.44 3iqe n MET 19 Ca 0.07 -0.14 -0.03 0.00 -1.81 0.00 0.00 57.70 55.79 3iqe n MET 19 Cb 0.20 -1.14 0.07 0.00 -0.71 0.00 0.00 33.22 31.64 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 0.30 0.36 -0.54 0.03 -0.00 -1.40 -0.59 114.93 113.09 3iqe h MET 20 Ca 0.00 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.70 59.60 3iqe h MET 20 Cb 0.34 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 31.84 3iqe h MET 20 CO 0.00 0.24 0.02 0.38 -0.00 0.00 0.00 176.91 177.55 3iqe h ASP 21 N 0.37 0.87 1.05 -0.10 2.03 -1.86 -3.12 116.42 115.66 3iqe h ASP 21 Ca 0.25 -0.22 -0.05 0.00 -0.73 0.00 0.00 57.03 56.28 3iqe h ASP 21 Cb 0.27 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.53 3iqe h ASP 21 CO -0.25 0.92 -0.25 0.24 -1.03 0.00 0.00 179.24 178.87 3iqe h MET 22 N 0.84 0.00 0.00 4.15 2.86 -1.46 -2.61 114.93 118.71 3iqe h MET 22 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3iqe h MET 22 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3iqe h MET 22 CO 0.02 0.25 0.00 1.28 1.06 0.00 0.00 176.91 179.52 3iqe n LEU 23 N -3.35 0.46 -0.40 1.22 4.77 -0.87 -2.42 117.00 116.41 3iqe n LEU 23 Ca 0.01 0.67 0.09 0.00 -0.03 0.00 0.00 56.01 56.75 3iqe n LEU 23 Cb 0.48 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 3iqe n LEU 23 CO 0.34 -0.69 0.26 0.18 -1.33 0.00 0.00 177.39 176.15 3iqe n LEU 24 N -2.07 1.76 -2.88 2.23 4.77 -0.98 -4.58 117.00 115.25 3iqe n LEU 24 Ca 0.00 -0.74 -0.12 0.00 -0.03 0.00 0.00 56.01 55.12 3iqe n LEU 24 Cb 0.11 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3iqe n LEU 24 CO 0.12 0.34 0.13 -0.67 -1.33 0.00 0.00 177.39 175.98 3iqe n ASP 25 N -0.17 -0.96 0.09 -1.43 2.03 -1.02 -4.98 116.55 110.11 3iqe n ASP 25 Ca 0.08 -3.27 0.19 0.00 0.52 0.00 0.00 54.79 52.31 3iqe n ASP 25 Cb 0.39 0.80 0.75 0.00 -0.72 0.00 0.00 41.12 42.34 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 2.90 0.00 -0.02 -0.67 9.09 -1.79 -0.52 114.58 123.56 3iqe h GLU 26 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 3iqe h GLU 26 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.18 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 -3.99 1.79 -1.96 1.06 1.74 -1.26 -4.97 116.66 109.07 3iqe n ARG 27 Ca 0.07 -2.35 -0.11 0.00 -0.77 0.00 0.00 57.85 54.69 3iqe n ARG 27 Cb 0.54 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 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 -1.14 -0.52 0.64 7.54 0.00 -0.20 -4.82 120.51 122.01 3iqe n ALA 28 Ca 0.13 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.81 3iqe n ALA 28 Cb 0.56 -1.34 0.15 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.13 3.13 -4.70 0.00 5.75 -1.26 -4.97 116.55 113.37 3iqe n ASP 29 Ca -0.13 -1.96 -0.42 0.00 -0.01 0.00 0.00 54.79 52.27 3iqe n ASP 29 Cb 0.50 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 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 -1.69 4.30 0.00 0.11 0.52 -1.26 -4.51 118.95 116.41 3iqe s ARG 30 Ca 0.31 2.04 0.25 0.00 -0.52 0.00 0.00 55.73 57.81 3iqe s ARG 30 Cb 0.20 -3.44 0.55 0.00 0.52 0.00 0.00 34.95 32.78 3iqe s ARG 30 CO 0.29 -0.52 1.44 0.39 0.02 0.00 0.00 175.30 176.92 3iqe n GLU 31 N 4.78 0.49 -0.32 3.54 1.02 0.11 -4.38 120.64 125.88 3iqe n GLU 31 Ca 0.13 -0.30 0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3iqe n GLU 31 Cb 0.43 -1.49 0.25 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 -0.99 3.61 -3.74 1.62 3.85 -1.26 -4.84 116.55 114.80 3iqe n ASP 32 Ca 0.09 -2.08 -0.10 0.00 -0.71 0.00 0.00 54.79 51.99 3iqe n ASP 32 Cb 0.35 -0.39 -0.06 0.00 -1.35 0.00 0.00 41.12 39.67 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 -1.15 0.10 -0.27 2.12 -7.23 -1.26 -1.20 120.40 111.50 3iqe s VAL 33 Ca 0.38 -0.86 -0.22 0.00 -1.81 0.00 0.00 61.98 59.47 3iqe s VAL 33 Cb 0.21 -1.25 0.08 0.00 0.56 0.00 0.00 36.38 35.98 3iqe s VAL 33 CO 0.24 -0.47 0.75 -0.70 -0.31 0.00 0.00 175.10 174.61 3iqe s GLU 34 N -3.83 0.75 0.07 4.82 2.12 -0.86 -4.91 118.70 116.87 3iqe s GLU 34 Ca 0.04 1.02 0.05 0.00 0.36 0.00 0.00 54.97 56.44 3iqe s GLU 34 Cb 0.03 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.70 3iqe s GLU 34 CO -0.12 -0.11 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.29 3iqe s PHE 35 N 0.77 1.21 0.09 5.30 2.99 -1.26 -2.80 117.98 124.28 3iqe s PHE 35 Ca -0.03 -0.47 0.10 0.00 0.00 0.00 0.00 56.93 56.53 3iqe s PHE 35 Cb -0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 43.02 42.26 3iqe s PHE 35 CO -0.06 0.06 -0.25 1.03 -0.00 0.00 0.00 175.22 175.99 3iqe s ARG 36 N -1.78 1.52 -0.08 0.44 1.81 -1.06 -5.01 118.95 114.78 3iqe s ARG 36 Ca -0.02 -1.20 0.01 0.00 -1.72 0.00 0.00 55.73 52.81 3iqe s ARG 36 Cb -0.10 -1.83 0.02 0.00 -0.45 0.00 0.00 34.95 32.59 3iqe s ARG 36 CO 0.02 0.45 -0.10 0.08 -0.68 0.00 0.00 175.30 175.07 3iqe s VAL 37 N -0.95 1.08 0.09 3.52 1.01 -1.26 -1.37 120.40 122.52 3iqe s VAL 37 Ca 0.12 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3iqe s VAL 37 Cb -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3iqe s VAL 37 CO 0.04 0.36 -0.06 0.68 0.00 0.00 0.00 175.10 176.12 3iqe s VAL 38 N 1.09 0.60 -0.39 2.92 -7.23 0.07 -4.97 120.40 112.49 3iqe s VAL 38 Ca -0.07 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 3iqe s VAL 38 Cb -0.14 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.16 3iqe s VAL 38 CO -0.01 -0.89 0.00 0.61 -0.31 0.00 0.00 175.10 174.50 3iqe n GLY 39 N 0.01 -1.24 0.74 2.32 0.00 -1.26 -1.03 105.19 104.73 3iqe n GLY 39 Ca -0.13 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 44.98 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 0.18 1.71 -4.95 2.61 -2.24 -1.13 -4.96 114.28 105.50 3iqe n THR 40 Ca 0.00 -2.68 0.00 0.00 -2.27 0.00 0.00 64.05 59.10 3iqe n THR 40 Cb 0.00 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.80 0.00 0.15 3.42 2.88 -1.25 -3.01 113.62 115.00 3iqe n SER 41 Ca 0.16 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.83 3iqe n SER 41 Cb 0.78 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.73 3iqe n SER 41 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3iqe h VAL 42 N 0.00 0.00 -3.36 2.46 -1.51 -1.90 0.44 116.25 112.38 3iqe h VAL 42 Ca 0.00 -0.33 -0.56 0.00 -1.23 0.00 0.00 66.70 64.58 3iqe h VAL 42 Cb 0.00 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 30.27 3iqe h VAL 42 CO 0.00 0.00 0.32 -0.54 -1.23 0.00 0.00 177.57 176.12 3iqe s LYS 43 N -3.33 4.46 -0.16 5.19 1.02 -1.16 -3.55 119.74 122.21 3iqe s LYS 43 Ca 0.05 1.18 0.23 0.00 0.02 0.00 0.00 55.97 57.45 3iqe s LYS 43 Cb 0.10 -3.49 0.47 0.00 -0.52 0.00 0.00 37.83 34.39 3iqe s LYS 43 CO 0.45 -0.10 1.14 0.00 -0.92 0.00 0.00 175.35 175.92 3iqe n MET 44 N 4.25 1.14 -1.51 1.68 0.00 -1.26 -4.00 117.12 117.42 3iqe n MET 44 Ca 0.04 -2.95 -0.30 0.00 0.00 0.00 0.00 57.70 54.49 3iqe n MET 44 Cb 0.50 -1.02 0.08 0.00 0.00 0.00 0.00 33.22 32.78 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 -3.08 4.80 0.39 3.17 -4.77 -1.26 -4.12 116.67 111.80 3iqe s ASP 45 Ca 0.31 1.50 0.10 0.00 -3.30 0.00 0.00 52.55 51.16 3iqe s ASP 45 Cb 0.35 -2.29 0.87 0.00 -1.09 0.00 0.00 42.92 40.77 3iqe s ASP 45 CO -0.09 -1.80 1.96 -0.65 0.70 0.00 0.00 175.17 175.29 3iqe h PRO 46 N -0.97 0.58 -0.22 2.11 0.11 -1.87 -1.18 132.00 130.56 3iqe h PRO 46 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3iqe h PRO 46 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3iqe h PRO 46 CO 0.57 0.38 0.12 0.93 -0.21 0.00 0.00 178.00 179.79 3iqe h GLU 47 N 0.60 0.32 -0.07 1.05 3.07 -1.96 -1.54 114.58 116.03 3iqe h GLU 47 Ca 0.31 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 58.93 3iqe h GLU 47 Cb 0.43 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3iqe h GLU 47 CO -0.10 0.31 -0.78 0.00 -1.40 0.00 0.00 179.01 177.03 3iqe h VAL 49 N 0.31 1.34 -0.08 0.00 2.07 -1.19 -1.03 116.25 117.66 3iqe h VAL 49 Ca -0.04 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 65.96 3iqe h VAL 49 Cb 1.38 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.96 3iqe h VAL 49 CO 0.14 0.48 -0.22 -0.08 0.02 0.00 0.00 177.57 177.91 3iqe h GLU 50 N 0.23 -0.29 -0.97 1.57 4.81 -1.27 -0.89 114.58 117.77 3iqe h GLU 50 Ca 0.01 0.02 0.21 0.00 -0.13 0.00 0.00 59.36 59.47 3iqe h GLU 50 Cb 0.92 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.28 3iqe h GLU 50 CO 0.07 -0.19 0.62 0.00 -0.73 0.00 0.00 179.01 178.78 3iqe h ALA 51 N 0.65 2.04 -0.00 2.92 0.00 -1.14 0.11 119.26 123.83 3iqe h ALA 51 Ca 0.09 0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 3iqe h ALA 51 Cb 0.42 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.20 3iqe h ALA 51 CO -0.26 -0.38 -0.98 0.00 0.00 0.00 0.00 179.25 177.63 3iqe h ALA 52 N 1.62 0.12 -0.18 0.00 0.00 -0.32 -2.21 119.26 118.29 3iqe h ALA 52 Ca 0.53 -0.68 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3iqe h ALA 52 Cb 1.15 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3iqe h ALA 52 CO -0.27 0.64 -0.54 0.28 0.00 0.00 0.00 179.25 179.37 3iqe h VAL 53 N 0.33 1.33 0.19 0.00 2.07 -0.09 -2.04 116.25 118.04 3iqe h VAL 53 Ca -0.12 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.60 3iqe h VAL 53 Cb 1.64 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 33.19 3iqe h VAL 53 CO 0.19 0.55 -0.11 -0.08 0.02 0.00 0.00 177.57 178.15 3iqe h GLU 54 N 0.40 -0.27 -0.58 1.57 4.81 -0.85 0.26 114.58 119.92 3iqe h GLU 54 Ca 0.01 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 3iqe h GLU 54 Cb 1.07 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.40 3iqe h GLU 54 CO 0.10 -0.18 -0.35 0.52 -0.73 0.00 0.00 179.01 178.37 3iqe h MET 55 N -0.28 -0.17 -0.80 1.92 2.86 -1.33 0.60 114.93 117.72 3iqe h MET 55 Ca -0.02 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3iqe h MET 55 Cb 0.23 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 3iqe h MET 55 CO 0.03 -0.11 0.52 0.00 1.06 0.00 0.00 176.91 178.41 3iqe h ALA 56 N 0.93 1.02 -0.40 6.32 0.00 -0.70 0.18 119.26 126.61 3iqe h ALA 56 Ca 0.22 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3iqe h ALA 56 Cb 0.55 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iqe h ALA 56 CO -0.68 0.45 -0.14 -0.07 0.00 0.00 0.00 179.25 178.81 3iqe h LEU 57 N 1.09 0.81 -0.45 0.00 3.38 0.34 0.15 115.31 120.63 3iqe h LEU 57 Ca 0.29 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3iqe h LEU 57 Cb -0.10 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.36 3iqe h LEU 57 CO -0.06 1.01 0.06 -0.78 0.09 0.00 0.00 178.44 178.76 3iqe h ASP 58 N 0.60 -0.06 -0.12 -0.43 3.58 0.78 -1.69 116.42 119.08 3iqe h ASP 58 Ca 0.10 0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.57 3iqe h ASP 58 Cb 0.68 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 3iqe h ASP 58 CO 0.05 0.00 -0.12 0.40 -2.88 0.00 0.00 179.24 176.69 3iqe h ILE 59 N 0.18 1.22 0.00 2.25 2.04 -0.39 -3.02 117.51 119.80 3iqe h ILE 59 Ca 0.23 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 3iqe h ILE 59 Cb 0.31 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3iqe h ILE 59 CO -0.32 0.32 -0.12 0.00 0.00 0.00 0.00 178.15 178.03 3iqe h ALA 60 N 1.44 1.64 -0.58 1.87 0.00 0.25 -0.20 119.26 123.68 3iqe h ALA 60 Ca 0.08 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3iqe h ALA 60 Cb 0.48 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3iqe h ALA 60 CO 0.03 0.15 0.28 0.93 0.00 0.00 0.00 179.25 180.64 3iqe h GLU 61 N 0.00 0.52 0.08 0.00 5.08 -1.37 0.10 114.58 118.99 3iqe h GLU 61 Ca -0.00 -0.03 -0.32 0.00 -1.00 0.00 0.00 59.36 58.00 3iqe h GLU 61 Cb 0.24 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3iqe h GLU 61 CO 0.02 0.34 -1.79 0.22 -1.00 0.00 0.00 179.01 176.80 3iqe h ASP 62 N 0.53 0.25 0.51 1.42 -0.00 -1.53 -3.39 116.42 114.21 3iqe h ASP 62 Ca 0.26 -0.50 -0.21 0.00 -0.00 0.00 0.00 57.03 56.58 3iqe h ASP 62 Cb 0.20 -0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 39.45 3iqe h ASP 62 CO -0.20 1.45 -0.91 0.15 -0.00 0.00 0.00 179.24 179.73 3iqe h PHE 63 N 0.04 0.40 -5.54 0.28 3.57 -0.96 -3.48 116.94 111.25 3iqe h PHE 63 Ca -0.33 -0.22 -0.27 0.00 3.53 0.00 0.00 57.97 60.68 3iqe h PHE 63 Cb 2.02 -0.04 0.19 0.00 2.79 0.00 0.00 35.95 40.91 3iqe h PHE 63 CO 0.04 1.04 -0.87 0.39 -2.23 0.00 0.00 178.31 176.69 3iqe n GLU 64 N -3.68 -2.22 -2.14 1.11 1.02 0.34 -4.95 120.64 110.12 3iqe n GLU 64 Ca -0.05 0.82 -0.32 0.00 -0.02 0.00 0.00 57.16 57.60 3iqe n GLU 64 Cb 0.83 -5.65 -0.01 0.00 -0.02 0.00 0.00 31.44 26.59 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 -4.58 3.63 0.31 3.49 0.04 -1.26 -4.83 135.00 131.78 3iqe s PRO 65 Ca 0.45 0.99 0.15 0.00 0.04 0.00 0.00 61.00 62.64 3iqe s PRO 65 Cb -0.07 -2.08 0.37 0.00 0.04 0.00 0.00 34.50 32.75 3iqe s PRO 65 CO 0.75 -0.54 1.59 -0.44 0.04 0.00 0.00 177.00 178.40 3iqe h ASP 66 N 0.45 0.00 -5.03 6.66 5.19 -0.88 -3.47 116.42 119.33 3iqe h ASP 66 Ca -0.46 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.91 3iqe h ASP 66 Cb 1.20 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.58 3iqe h ASP 66 CO 0.60 0.52 0.07 0.72 -3.12 0.00 0.00 179.24 178.02 3iqe s PHE 67 N -3.33 -0.39 0.13 4.55 -0.12 -1.20 -4.36 117.98 113.27 3iqe s PHE 67 Ca 0.01 0.17 0.09 0.00 -0.05 0.00 0.00 56.93 57.15 3iqe s PHE 67 Cb 0.10 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3iqe s PHE 67 CO 0.73 -0.76 -0.18 0.42 -0.05 0.00 0.00 175.22 175.38 3iqe s ILE 68 N -3.58 2.84 -0.08 -4.49 1.01 -0.00 -2.44 121.20 114.46 3iqe s ILE 68 Ca 0.01 -1.57 0.01 0.00 0.00 0.00 0.00 60.65 59.10 3iqe s ILE 68 Cb 0.00 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.17 3iqe s ILE 68 CO -0.11 0.06 -0.11 -0.69 0.00 0.00 0.00 174.94 174.09 3iqe s VAL 69 N -1.26 1.09 -0.20 2.92 1.01 -0.29 -1.00 120.40 122.66 3iqe s VAL 69 Ca 0.19 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3iqe s VAL 69 Cb -0.10 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3iqe s VAL 69 CO 0.11 0.35 -0.00 -0.47 0.00 0.00 0.00 175.10 175.09 3iqe s TYR 70 N 0.98 3.03 -0.06 5.22 6.14 -0.10 0.00 117.35 132.57 3iqe s TYR 70 Ca -0.09 -0.50 0.03 0.00 0.64 0.00 0.00 57.07 57.15 3iqe s TYR 70 Cb -0.15 -2.09 0.01 0.00 0.42 0.00 0.00 41.96 40.15 3iqe s TYR 70 CO -0.00 -0.28 -0.13 0.20 0.64 0.00 0.00 175.55 175.98 3iqe s GLY 71 N 1.07 0.84 0.00 8.97 0.00 0.02 -0.72 107.32 117.50 3iqe s GLY 71 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.27 3iqe s GLY 71 CO 0.01 0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.76 3iqe n GLY 72 N 3.72 0.95 3.76 0.20 0.00 -0.90 -2.66 105.19 110.26 3iqe n GLY 72 Ca -0.22 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 3iqe n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iqe s PRO 73 N -2.00 3.25 -0.31 1.61 0.02 -1.26 -4.11 135.00 132.20 3iqe s PRO 73 Ca 0.00 1.81 -0.27 0.00 0.02 0.00 0.00 61.00 62.56 3iqe s PRO 73 Cb 0.00 -2.09 0.04 0.00 0.02 0.00 0.00 34.50 32.47 3iqe s PRO 73 CO 0.00 -0.98 0.45 -1.71 -0.33 0.00 0.00 177.00 174.43 3iqe n ASN 74 N -1.22 -5.83 0.00 2.53 2.85 -1.26 -4.80 115.26 107.53 3iqe n ASN 74 Ca 0.11 0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 3iqe n ASN 74 Cb 0.49 -1.62 0.00 0.00 1.24 0.00 0.00 39.78 39.89 3iqe n ASN 74 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3iqe n PRO 75 N 0.29 0.00 0.06 1.20 -0.02 -1.26 -1.66 135.00 133.61 3iqe n PRO 75 Ca -0.06 0.43 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 3iqe n PRO 75 Cb 0.63 -1.53 0.03 0.00 -0.02 0.00 0.00 33.50 32.61 3iqe n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iqe n ALA 76 N -1.43 2.94 -1.03 3.55 0.00 -1.26 -3.69 120.51 119.59 3iqe n ALA 76 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 3iqe n ALA 76 Cb 0.03 -1.05 0.13 0.00 0.00 0.00 0.00 19.45 18.56 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 -3.28 1.86 0.22 0.00 0.00 -0.66 -4.68 121.76 115.22 3iqe s ALA 77 Ca 0.02 0.58 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 3iqe s ALA 77 Cb 0.12 -3.41 0.33 0.00 0.00 0.00 0.00 23.12 20.17 3iqe s ALA 77 CO 0.79 -2.25 1.69 -1.35 0.00 0.00 0.00 175.76 174.64 3iqe h PRO 78 N -1.23 0.22 -0.00 0.00 0.11 -1.91 0.38 132.00 129.56 3iqe h PRO 78 Ca -0.44 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3iqe h PRO 78 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iqe h PRO 78 CO 0.46 0.14 -0.23 0.78 -0.21 0.00 0.00 178.00 178.95 3iqe h GLY 79 N 0.22 0.18 1.29 -0.55 0.00 -1.85 -2.66 103.07 99.70 3iqe h GLY 79 Ca 0.34 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.40 3iqe h GLY 79 CO -0.46 0.27 0.41 -2.55 0.00 0.00 0.00 176.54 174.21 3iqe h PRO 80 N -0.52 0.73 -0.53 4.80 0.11 -1.72 -1.59 132.00 133.27 3iqe h PRO 80 Ca -0.03 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3iqe h PRO 80 Cb 0.98 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 3iqe h PRO 80 CO 0.04 0.48 0.21 0.77 -0.21 0.00 0.00 178.00 179.29 3iqe h SER 81 N 0.75 0.70 -0.68 -2.05 0.02 -0.25 -1.87 113.55 110.17 3iqe h SER 81 Ca 0.25 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3iqe h SER 81 Cb 0.06 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3iqe h SER 81 CO -0.07 0.63 0.33 0.50 -1.14 0.00 0.00 176.83 177.08 3iqe h LYS 82 N 0.76 0.98 -0.39 3.45 1.63 -0.93 -2.68 116.57 119.38 3iqe h LYS 82 Ca 0.18 -0.14 -0.08 0.00 -0.85 0.00 0.00 60.65 59.75 3iqe h LYS 82 Cb 0.16 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 3iqe h LYS 82 CO -0.02 0.77 -0.10 0.00 -3.45 0.00 0.00 179.45 176.66 3iqe h ALA 83 N 1.15 1.09 -0.28 5.00 0.00 -0.87 -2.04 119.26 123.30 3iqe h ALA 83 Ca 0.23 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3iqe h ALA 83 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3iqe h ALA 83 CO -0.03 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.80 3iqe h ARG 84 N 0.63 0.49 -0.19 0.00 3.08 -1.22 0.18 114.38 117.36 3iqe h ARG 84 Ca 0.11 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3iqe h ARG 84 Cb 0.54 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3iqe h ARG 84 CO 0.03 0.64 -0.09 1.49 -1.07 0.00 0.00 179.97 180.97 3iqe h GLU 85 N 0.29 -0.06 -0.35 0.04 4.81 -1.36 1.51 114.58 119.46 3iqe h GLU 85 Ca 0.08 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3iqe h GLU 85 Cb 0.41 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3iqe h GLU 85 CO 0.01 -0.04 0.02 0.52 -0.73 0.00 0.00 179.01 178.79 3iqe h MET 86 N -0.07 0.61 -0.05 1.92 2.86 -1.13 -1.09 114.93 117.98 3iqe h MET 86 Ca 0.10 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 3iqe h MET 86 Cb 0.22 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3iqe h MET 86 CO -0.23 0.71 -0.56 -0.07 1.06 0.00 0.00 176.91 177.81 3iqe h LEU 87 N 0.42 0.17 -0.99 1.22 3.38 -0.42 -2.16 115.31 116.94 3iqe h LEU 87 Ca 0.10 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3iqe h LEU 87 Cb 0.42 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3iqe h LEU 87 CO 0.01 0.70 0.65 0.00 0.09 0.00 0.00 178.44 179.90 3iqe h ALA 88 N 1.30 1.27 -0.00 1.53 0.00 0.24 -2.54 119.26 121.06 3iqe h ALA 88 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iqe h ALA 88 Cb 1.03 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3iqe h ALA 88 CO 0.08 0.60 -0.10 -0.25 0.00 0.00 0.00 179.25 179.59 3iqe n ASP 89 N -4.42 0.16 -4.91 0.00 9.92 -0.43 -4.85 116.55 112.02 3iqe n ASP 89 Ca 0.12 0.07 -0.27 0.00 -0.53 0.00 0.00 54.79 54.18 3iqe n ASP 89 Cb 0.04 -0.27 0.06 0.00 -0.64 0.00 0.00 41.12 40.31 3iqe n ASP 89 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3iqe s SER 90 N -2.83 5.09 0.22 -2.24 1.04 -0.86 -4.95 113.70 109.18 3iqe s SER 90 Ca 0.19 0.70 0.26 0.00 0.48 0.00 0.00 55.95 57.58 3iqe s SER 90 Cb 0.19 -1.45 0.84 0.00 0.10 0.00 0.00 66.02 65.70 3iqe s SER 90 CO 0.53 -1.45 1.77 -1.84 0.98 0.00 0.00 173.24 173.23 3iqe n GLU 91 N -2.91 0.25 -2.83 4.02 0.28 -1.26 -4.87 120.64 113.32 3iqe n GLU 91 Ca 0.07 0.25 -0.41 0.00 -0.16 0.00 0.00 57.16 56.91 3iqe n GLU 91 Cb 0.59 -1.82 -0.04 0.00 1.43 0.00 0.00 31.44 31.61 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 -3.14 3.56 0.29 -1.84 2.02 -1.26 -5.00 117.35 111.98 3iqe s TYR 92 Ca 0.10 1.47 -0.29 0.00 -0.37 0.00 0.00 57.07 57.97 3iqe s TYR 92 Cb 0.12 -3.03 -0.13 0.00 -0.40 0.00 0.00 41.96 38.52 3iqe s TYR 92 CO 0.57 -0.07 1.25 -2.30 -1.57 0.00 0.00 175.55 173.42 3iqe n PRO 93 N 4.36 1.84 -3.92 -1.71 -0.02 -1.26 -4.78 135.00 129.50 3iqe n PRO 93 Ca 0.04 0.65 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 3iqe n PRO 93 Cb 0.50 -2.20 -0.13 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.72 0.08 -0.02 3.55 0.00 -1.26 -0.82 121.76 122.56 3iqe s ALA 94 Ca 0.61 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.46 3iqe s ALA 94 Cb -0.64 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 3iqe s ALA 94 CO 0.57 -0.03 -0.21 0.08 0.00 0.00 0.00 175.76 176.17 3iqe s VAL 95 N -0.37 1.70 -0.17 0.00 1.01 -0.17 -1.52 120.40 120.88 3iqe s VAL 95 Ca -0.04 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3iqe s VAL 95 Cb -0.03 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3iqe s VAL 95 CO -0.00 0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 174.88 3iqe s ILE 96 N -0.40 3.42 -0.20 2.22 -1.09 -0.23 -0.92 121.20 124.00 3iqe s ILE 96 Ca 0.05 -0.51 -0.07 0.00 -2.23 0.00 0.00 60.65 57.89 3iqe s ILE 96 Cb -0.09 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 3iqe s ILE 96 CO 0.00 0.48 0.07 -0.63 -1.23 0.00 0.00 174.94 173.62 3iqe s ILE 97 N 0.76 4.67 0.23 2.92 -1.09 0.10 -0.64 121.20 128.15 3iqe s ILE 97 Ca -0.03 -0.07 -0.02 0.00 -2.23 0.00 0.00 60.65 58.30 3iqe s ILE 97 Cb -0.15 -3.12 0.01 0.00 -1.58 0.00 0.00 42.46 37.62 3iqe s ILE 97 CO 0.02 0.42 0.34 0.61 -1.23 0.00 0.00 174.94 175.10 3iqe n GLY 98 N 3.91 2.35 0.00 6.18 0.00 -0.32 -2.12 105.19 115.18 3iqe n GLY 98 Ca -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.75 1.16 -0.04 1.61 3.85 -1.26 -1.44 116.55 118.68 3iqe n ASP 99 Ca -0.00 -0.26 0.01 0.00 -0.71 0.00 0.00 54.79 53.83 3iqe n ASP 99 Cb 0.38 0.00 0.33 0.00 -1.35 0.00 0.00 41.12 40.48 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 0.33 1.50 0.00 2.12 0.00 -1.80 -1.13 119.26 120.28 3iqe h ALA 100 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iqe h ALA 100 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3iqe h ALA 100 CO 0.00 0.39 0.00 -2.30 0.00 0.00 0.00 179.25 177.34 3iqe n PRO 101 N -4.38 0.16 0.27 0.00 -0.02 -1.26 -1.41 135.00 128.37 3iqe n PRO 101 Ca 0.03 0.55 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 3iqe n PRO 101 Cb 0.14 -1.91 0.85 0.00 -0.02 0.00 0.00 33.50 32.56 3iqe n PRO 101 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3iqe h GLY 102 N 0.86 0.00 1.92 -1.23 0.00 -1.55 -2.85 103.07 100.21 3iqe h GLY 102 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3iqe h GLY 102 CO 0.00 0.00 0.03 1.41 0.00 0.00 0.00 176.54 177.98 3iqe h LEU 103 N 0.00 0.00 -2.36 3.11 3.38 -1.41 -0.53 115.31 117.50 3iqe h LEU 103 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3iqe h LEU 103 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3iqe h LEU 103 CO 0.00 0.00 0.11 0.11 0.09 0.00 0.00 178.44 178.75 3iqe h LYS 104 N 0.00 0.00 0.00 1.13 1.57 -1.73 -2.87 116.57 114.67 3iqe h LYS 104 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3iqe h LYS 104 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3iqe h LYS 104 CO -0.00 0.00 -0.05 1.33 -0.57 0.00 0.00 179.45 180.16 3iqe n VAL 105 N -3.77 1.40 -0.23 0.50 0.24 -0.24 -4.67 118.33 111.57 3iqe n VAL 105 Ca -0.01 -1.64 0.02 0.00 -2.04 0.00 0.00 64.34 60.68 3iqe n VAL 105 Cb 0.21 0.07 0.14 0.00 -1.47 0.00 0.00 33.84 32.79 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 0.00 0.41 -0.52 7.34 3.64 -1.23 -0.31 116.57 125.89 3iqe h LYS 106 Ca 0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3iqe h LYS 106 Cb 0.91 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 3iqe h LYS 106 CO 0.00 0.27 0.10 -0.44 -2.27 0.00 0.00 179.45 177.11 3iqe h ASP 107 N 0.42 0.81 -0.70 4.20 3.32 -1.83 -2.70 116.42 119.95 3iqe h ASP 107 Ca 0.35 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3iqe h ASP 107 Cb 0.48 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3iqe h ASP 107 CO -0.35 0.86 0.46 -0.33 -1.72 0.00 0.00 179.24 178.15 3iqe h GLU 108 N 0.74 0.90 -0.36 3.56 5.08 -1.69 -2.43 114.58 120.37 3iqe h GLU 108 Ca 0.16 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3iqe h GLU 108 Cb 0.38 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3iqe h GLU 108 CO 0.01 0.60 0.11 0.52 -1.00 0.00 0.00 179.01 179.24 3iqe h MET 109 N 0.93 0.57 -0.28 2.33 2.86 -0.80 0.29 114.93 120.83 3iqe h MET 109 Ca 0.26 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 3iqe h MET 109 Cb -0.08 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 3iqe h MET 109 CO -0.07 0.59 0.09 0.93 1.06 0.00 0.00 176.91 179.51 3iqe h GLU 110 N 0.44 0.20 -0.46 1.72 5.08 -1.43 -0.62 114.58 119.51 3iqe h GLU 110 Ca 0.12 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.56 3iqe h GLU 110 Cb 0.26 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 3iqe h GLU 110 CO -0.00 0.13 -0.20 1.49 -1.00 0.00 0.00 179.01 179.43 3iqe h GLU 111 N 0.20 -0.09 0.00 2.33 4.22 -0.86 0.35 114.58 120.74 3iqe h GLU 111 Ca 0.12 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.57 3iqe h GLU 111 Cb 0.10 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3iqe h GLU 111 CO -0.14 -0.06 0.00 1.04 -2.18 0.00 0.00 179.01 177.67 3iqe n GLN 112 N -5.39 0.12 -1.34 1.92 6.02 0.95 -4.84 117.38 114.82 3iqe n GLN 112 Ca 0.03 0.22 -0.05 0.00 -0.01 0.00 0.00 57.00 57.19 3iqe n GLN 112 Cb 0.30 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 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 -0.37 0.67 3.89 1.08 0.00 0.12 -4.77 105.19 105.82 3iqe n GLY 113 Ca 0.05 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.28 4.01 0.50 0.99 1.43 -0.43 -4.79 118.68 119.12 3iqe s LEU 114 Ca 0.00 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 3iqe s LEU 114 Cb 0.00 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.58 3iqe s LEU 114 CO 0.00 -0.23 0.71 -0.83 0.23 0.00 0.00 176.35 176.22 3iqe s GLY 115 N -3.09 1.81 0.06 -3.19 0.00 -0.57 -4.25 107.32 98.08 3iqe s GLY 115 Ca 0.46 -1.37 -0.24 0.00 0.00 0.00 0.00 44.72 43.57 3iqe s GLY 115 CO 0.29 -1.13 0.57 -2.52 0.00 0.00 0.00 173.10 170.31 3iqe s TYR 116 N -2.63 -0.49 -0.13 1.90 1.13 0.21 -1.06 117.35 116.27 3iqe s TYR 116 Ca 0.55 0.54 -0.02 0.00 -1.41 0.00 0.00 57.07 56.73 3iqe s TYR 116 Cb -0.10 0.41 0.04 0.00 -1.10 0.00 0.00 41.96 41.21 3iqe s TYR 116 CO 0.37 -0.69 0.01 0.42 -2.51 0.00 0.00 175.55 173.15 3iqe s ILE 117 N -2.59 0.52 -0.21 -3.49 1.01 0.19 -1.27 121.20 115.35 3iqe s ILE 117 Ca -0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 3iqe s ILE 117 Cb -0.01 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 3iqe s ILE 117 CO -0.03 0.05 -0.04 -0.76 0.00 0.00 0.00 174.94 174.17 3iqe s LEU 118 N 1.89 2.97 -0.45 2.97 1.43 -0.32 -1.17 118.68 126.00 3iqe s LEU 118 Ca 0.02 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 3iqe s LEU 118 Cb -0.15 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.42 3iqe s LEU 118 CO -0.07 0.00 0.31 -0.69 0.23 0.00 0.00 176.35 176.14 3iqe s VAL 119 N 1.34 4.29 0.21 -1.59 1.01 -0.52 -0.10 120.40 125.03 3iqe s VAL 119 Ca 0.04 -1.56 -0.07 0.00 0.00 0.00 0.00 61.98 60.39 3iqe s VAL 119 Cb -0.14 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.59 3iqe s VAL 119 CO -0.02 -0.64 1.66 0.11 0.00 0.00 0.00 175.10 176.22 3iqe h LYS 120 N 8.45 0.95 0.00 2.72 1.57 -1.26 -2.14 116.57 126.88 3iqe h LYS 120 Ca -0.23 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3iqe h LYS 120 Cb 1.08 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3iqe h LYS 120 CO 0.82 0.97 0.00 -0.35 -0.57 0.00 0.00 179.45 180.32 3iqe n PRO 121 N -4.17 0.52 -2.63 3.15 -0.05 -1.26 -4.30 135.00 126.26 3iqe n PRO 121 Ca 0.02 0.04 -0.43 0.00 -0.05 0.00 0.00 63.50 63.08 3iqe n PRO 121 Cb 0.36 -1.50 -0.00 0.00 -0.05 0.00 0.00 33.50 32.31 3iqe n PRO 121 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 3iqe s ASP 122 N -2.25 6.82 0.23 3.54 -1.08 -0.80 -4.42 116.67 118.70 3iqe s ASP 122 Ca 0.27 -2.38 -0.14 0.00 -0.52 0.00 0.00 52.55 49.78 3iqe s ASP 122 Cb 0.15 -2.55 -0.08 0.00 -1.46 0.00 0.00 42.92 38.98 3iqe s ASP 122 CO 0.29 -1.16 0.63 0.00 0.52 0.00 0.00 175.17 175.45 3iqe s ALA 123 N 3.96 3.48 0.35 3.66 0.00 -1.26 -4.67 121.76 127.28 3iqe s ALA 123 Ca 0.51 -0.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.12 3iqe s ALA 123 Cb 0.02 -2.62 -0.12 0.00 0.00 0.00 0.00 23.12 20.41 3iqe s ALA 123 CO 0.04 0.41 1.43 -0.12 0.00 0.00 0.00 175.76 177.53 3iqe n MET 124 N 0.24 2.49 -2.35 0.00 1.56 -1.26 -4.94 117.12 112.86 3iqe n MET 124 Ca -0.01 0.87 -0.26 0.00 -0.27 0.00 0.00 57.70 58.03 3iqe n MET 124 Cb 0.52 -2.56 0.15 0.00 2.15 0.00 0.00 33.22 33.48 3iqe n MET 124 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 3iqe s LEU 125 N -1.51 2.87 -1.15 -0.89 0.05 -1.26 -4.50 118.68 112.28 3iqe s LEU 125 Ca 0.55 -0.20 -0.13 0.00 0.05 0.00 0.00 54.13 54.40 3iqe s LEU 125 Cb -0.51 -1.95 0.20 0.00 -2.05 0.00 0.00 46.19 41.88 3iqe s LEU 125 CO 0.62 -2.30 1.30 -0.83 -0.55 0.00 0.00 176.35 174.59 3iqe s GLY 126 N -4.84 2.59 -1.36 -3.48 0.00 -1.26 -4.82 107.32 94.14 3iqe s GLY 126 Ca 0.71 -3.44 -0.11 0.00 0.00 0.00 0.00 44.72 41.88 3iqe s GLY 126 CO 0.48 1.83 2.05 0.00 0.00 0.00 0.00 173.10 177.47 3iqe n ALA 127 N 4.91 5.48 -2.44 3.20 0.00 -1.26 -4.39 120.51 126.01 3iqe n ALA 127 Ca 0.31 -4.11 -0.31 0.00 0.00 0.00 0.00 53.44 49.33 3iqe n ALA 127 Cb 0.43 -3.23 -0.16 0.00 0.00 0.00 0.00 19.45 16.49 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 1.64 2.29 0.36 0.00 1.81 -1.26 -4.95 118.95 118.85 3iqe s ARG 128 Ca 0.43 -0.88 0.04 0.00 -1.72 0.00 0.00 55.73 53.60 3iqe s ARG 128 Cb 0.12 -2.13 0.71 0.00 -0.45 0.00 0.00 34.95 33.20 3iqe s ARG 128 CO -0.04 0.53 2.00 -0.09 -0.68 0.00 0.00 175.30 177.02 3iqe h ARG 129 N 5.61 0.75 0.00 3.54 2.43 -1.91 0.13 114.38 124.93 3iqe h ARG 129 Ca -0.41 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3iqe h ARG 129 Cb 1.14 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3iqe h ARG 129 CO 0.48 0.50 0.00 0.39 -1.51 0.00 0.00 179.97 179.82 3iqe n GLU 130 N -4.46 0.07 0.00 0.20 4.71 -1.26 -4.00 120.64 115.90 3iqe n GLU 130 Ca 0.08 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 57.67 3iqe n GLU 130 Cb 0.12 -1.66 0.00 0.00 -1.01 0.00 0.00 31.44 28.88 3iqe n GLU 130 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3iqe n PHE 131 N -1.79 0.00 -2.98 -0.32 7.35 -0.48 -5.00 117.46 114.24 3iqe n PHE 131 Ca 0.01 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.26 3iqe n PHE 131 Cb 0.10 0.14 -0.04 0.00 0.35 0.00 0.00 39.48 40.04 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 -4.83 4.98 0.56 -2.13 2.96 0.35 -4.85 118.68 115.72 3iqe s LEU 132 Ca 0.00 -1.45 0.05 0.00 -0.22 0.00 0.00 54.13 52.52 3iqe s LEU 132 Cb 0.00 -2.36 0.05 0.00 0.50 0.00 0.00 46.19 44.38 3iqe s LEU 132 CO 0.00 -1.21 0.44 1.51 -1.32 0.00 0.00 176.35 175.77 3iqe s ASP 133 N 3.59 4.64 0.28 3.68 -4.77 -1.26 -4.71 116.67 118.12 3iqe s ASP 133 Ca 0.20 -1.26 -0.01 0.00 -3.30 0.00 0.00 52.55 48.18 3iqe s ASP 133 Cb -0.17 0.52 0.47 0.00 -1.09 0.00 0.00 42.92 42.66 3iqe s ASP 133 CO 0.04 -1.18 1.89 -0.65 0.70 0.00 0.00 175.17 175.97 3iqe h PRO 134 N 0.66 1.07 0.04 2.11 0.11 -1.99 -1.31 132.00 132.69 3iqe h PRO 134 Ca -0.36 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3iqe h PRO 134 Cb 1.31 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3iqe h PRO 134 CO 0.55 0.71 -0.02 0.28 -0.21 0.00 0.00 178.00 179.31 3iqe h VAL 135 N 1.10 1.15 -0.80 3.15 2.07 -1.98 -1.56 116.25 119.38 3iqe h VAL 135 Ca 0.42 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3iqe h VAL 135 Cb 0.20 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3iqe h VAL 135 CO -0.16 0.15 0.53 -0.08 0.02 0.00 0.00 177.57 178.02 3iqe h GLU 136 N -0.31 1.00 -0.69 1.57 4.57 -1.82 0.49 114.58 119.39 3iqe h GLU 136 Ca -0.01 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 3iqe h GLU 136 Cb 0.29 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3iqe h GLU 136 CO 0.01 0.66 0.30 1.98 -1.18 0.00 0.00 179.01 180.78 3iqe h MET 137 N 1.03 1.00 0.02 1.92 4.05 -1.08 -1.20 114.93 120.67 3iqe h MET 137 Ca 0.30 -0.15 -0.23 0.00 -0.28 0.00 0.00 59.70 59.34 3iqe h MET 137 Cb -0.04 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.59 3iqe h MET 137 CO -0.08 0.80 -0.98 0.00 0.23 0.00 0.00 176.91 176.88 3iqe h ALA 138 N 1.34 0.33 -0.69 0.39 0.00 -0.22 -2.51 119.26 117.90 3iqe h ALA 138 Ca 0.24 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3iqe h ALA 138 Cb 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3iqe h ALA 138 CO -0.02 0.83 0.33 0.82 0.00 0.00 0.00 179.25 181.21 3iqe h ILE 139 N 0.21 1.23 -0.01 0.00 2.04 -0.82 0.79 117.51 120.95 3iqe h ILE 139 Ca -0.09 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.14 3iqe h ILE 139 Cb 1.62 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3iqe h ILE 139 CO 0.17 0.27 -0.04 0.22 0.00 0.00 0.00 178.15 178.76 3iqe h TYR 140 N 0.96 -0.11 -0.18 1.37 3.20 -1.20 -2.29 116.97 118.72 3iqe h TYR 140 Ca 0.24 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 3iqe h TYR 140 Cb 0.12 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3iqe h TYR 140 CO 0.00 -0.07 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.50 3iqe h ASN 141 N -0.08 0.24 -0.14 -2.11 2.35 -1.04 -0.13 115.58 114.67 3iqe h ASN 141 Ca 0.02 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3iqe h ASN 141 Cb 0.10 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3iqe h ASN 141 CO -0.06 0.32 0.09 0.00 -1.65 0.00 0.00 177.43 176.13 3iqe h ALA 142 N 1.71 0.18 -0.17 -0.83 0.00 -0.54 0.14 119.26 119.76 3iqe h ALA 142 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3iqe h ALA 142 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iqe h ALA 142 CO 0.01 -0.31 0.04 -0.44 0.00 0.00 0.00 179.25 178.56 3iqe h ASP 143 N 0.16 0.26 -0.42 0.00 3.32 -0.84 -1.70 116.42 117.20 3iqe h ASP 143 Ca 0.05 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.90 3iqe h ASP 143 Cb 0.03 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3iqe h ASP 143 CO -0.01 0.41 0.23 0.25 -1.72 0.00 0.00 179.24 178.41 3iqe h LEU 144 N 0.09 0.37 -0.86 1.55 5.85 -0.97 -1.49 115.31 119.85 3iqe h LEU 144 Ca 0.05 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3iqe h LEU 144 Cb 0.25 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 3iqe h LEU 144 CO -0.00 0.26 0.52 -0.03 -0.34 0.00 0.00 178.44 178.85 3iqe h MET 145 N 0.47 0.89 -0.11 1.25 4.05 -0.59 -0.25 114.93 120.66 3iqe h MET 145 Ca 0.17 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3iqe h MET 145 Cb 0.04 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 3iqe h MET 145 CO -0.10 0.59 0.01 -0.22 0.23 0.00 0.00 176.91 177.43 3iqe h LYS 146 N 0.92 0.05 0.09 0.39 1.63 -0.70 -0.48 116.57 118.48 3iqe h LYS 146 Ca 0.39 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.20 3iqe h LYS 146 Cb 0.24 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 3iqe h LYS 146 CO -0.20 0.03 -0.24 0.28 -3.45 0.00 0.00 179.45 175.88 3iqe h VAL 147 N 0.05 0.47 -0.02 2.00 2.07 -0.85 0.67 116.25 120.65 3iqe h VAL 147 Ca 0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 3iqe h VAL 147 Cb 0.05 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3iqe h VAL 147 CO -0.07 0.00 -0.42 -0.07 0.02 0.00 0.00 177.57 177.03 3iqe h LEU 148 N -0.42 0.04 0.19 2.57 3.38 -0.90 -2.37 115.31 117.80 3iqe h LEU 148 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3iqe h LEU 148 Cb 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3iqe h LEU 148 CO -0.15 0.46 -0.09 0.00 0.09 0.00 0.00 178.44 178.75 3iqe h ALA 149 N 1.55 -0.25 -0.02 1.53 0.00 -1.01 -0.24 119.26 120.81 3iqe h ALA 149 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3iqe h ALA 149 Cb 0.75 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3iqe h ALA 149 CO 0.06 -0.26 -0.39 0.00 0.00 0.00 0.00 179.25 178.65 3iqe h ALA 150 N -0.76 1.31 0.00 0.00 0.00 -0.89 -1.12 119.26 117.80 3iqe h ALA 150 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3iqe h ALA 150 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3iqe h ALA 150 CO 0.04 0.51 0.00 0.25 0.00 0.00 0.00 179.25 180.05 3iqe n THR 151 N -4.06 0.65 -0.41 0.00 -2.24 -0.90 -4.76 114.28 102.56 3iqe n THR 151 Ca -0.02 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3iqe n THR 151 Cb 0.43 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 3iqe n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iqe n GLY 152 N 0.67 0.74 0.36 3.38 0.00 -0.42 -4.94 105.19 104.98 3iqe n GLY 152 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 1.09 0.00 1.61 2.07 -1.50 -2.28 116.25 117.24 3iqe h VAL 153 Ca 0.00 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3iqe h VAL 153 Cb 0.00 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 3iqe h VAL 153 CO 0.00 0.19 -0.36 -0.26 0.02 0.00 0.00 177.57 177.16 3iqe h PHE 154 N 1.05 0.00 -0.14 1.57 0.05 -1.32 -2.08 116.94 116.07 3iqe h PHE 154 Ca 0.38 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 62.08 3iqe h PHE 154 Cb 0.15 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.09 3iqe h PHE 154 CO -0.00 0.36 -0.31 -0.09 -0.18 0.00 0.00 178.31 178.09 3iqe h ARG 155 N 0.00 0.26 -0.20 1.51 2.43 -1.69 0.07 114.38 116.76 3iqe h ARG 155 Ca -0.00 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3iqe h ARG 155 Cb 0.69 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3iqe h ARG 155 CO 0.05 0.55 0.07 0.28 -1.51 0.00 0.00 179.97 179.41 3iqe h VAL 156 N 0.23 1.18 -0.06 0.20 2.07 -1.27 0.22 116.25 118.81 3iqe h VAL 156 Ca 0.03 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3iqe h VAL 156 Cb 0.67 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3iqe h VAL 156 CO 0.05 0.17 0.04 0.58 0.02 0.00 0.00 177.57 178.43 3iqe h VAL 157 N 0.16 1.07 -0.53 2.57 2.07 -1.34 -1.40 116.25 118.85 3iqe h VAL 157 Ca 0.07 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.48 3iqe h VAL 157 Cb 0.20 1.10 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 3iqe h VAL 157 CO -0.00 0.06 -0.15 -0.61 0.02 0.00 0.00 177.57 176.88 3iqe h GLN 158 N 0.02 -0.02 -0.15 1.57 4.15 -0.85 -2.06 115.11 117.76 3iqe h GLN 158 Ca 0.02 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.35 3iqe h GLN 158 Cb 0.07 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3iqe h GLN 158 CO -0.00 -0.02 -0.34 0.93 -1.93 0.00 0.00 178.83 177.47 3iqe h GLU 159 N -0.03 0.31 0.09 1.69 5.08 -0.75 -0.26 114.58 120.72 3iqe h GLU 159 Ca 0.25 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3iqe h GLU 159 Cb 0.41 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3iqe h GLU 159 CO -0.56 0.62 -0.04 0.00 -1.00 0.00 0.00 179.01 178.02 3iqe h ALA 160 N 1.38 -0.12 -0.11 3.43 0.00 -0.59 -2.13 119.26 121.12 3iqe h ALA 160 Ca 0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3iqe h ALA 160 Cb 0.73 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3iqe h ALA 160 CO 0.06 -0.56 -0.65 0.74 0.00 0.00 0.00 179.25 178.84 3iqe h PHE 161 N -0.13 0.56 -0.98 0.00 -1.00 -1.13 -2.07 116.94 112.19 3iqe h PHE 161 Ca -0.01 -0.23 0.01 0.00 2.81 0.00 0.00 57.97 60.55 3iqe h PHE 161 Cb 0.10 -0.10 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 3iqe h PHE 161 CO -0.07 0.96 0.63 -0.44 -1.61 0.00 0.00 178.31 177.78 3iqe h ASP 162 N 0.31 1.14 -0.81 2.17 3.45 -1.04 0.10 116.42 121.75 3iqe h ASP 162 Ca -0.01 -0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.37 3iqe h ASP 162 Cb 1.20 -0.29 -0.04 0.00 -0.56 0.00 0.00 39.33 39.65 3iqe h ASP 162 CO 0.11 0.84 0.36 -0.33 -1.57 0.00 0.00 179.24 178.65 3iqe h GLU 163 N 1.34 1.19 -0.44 3.56 5.08 -1.09 -2.16 114.58 122.06 3iqe h GLU 163 Ca 0.36 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 3iqe h GLU 163 Cb -0.13 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.90 3iqe h GLU 163 CO -0.07 0.94 -0.18 1.25 -1.00 0.00 0.00 179.01 179.94 3iqe h LEU 164 N 1.16 0.86 -0.63 1.33 5.85 -0.65 -2.72 115.31 120.51 3iqe h LEU 164 Ca 0.27 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 3iqe h LEU 164 Cb 0.17 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3iqe h LEU 164 CO -0.03 1.02 -0.16 0.40 -0.34 0.00 0.00 178.44 179.33 3iqe h ILE 165 N 0.75 1.27 -0.43 4.05 2.04 -0.53 -1.87 117.51 122.78 3iqe h ILE 165 Ca 0.11 -1.30 -0.09 0.00 1.00 0.00 0.00 64.86 64.58 3iqe h ILE 165 Cb 0.71 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3iqe h ILE 165 CO 0.05 0.45 -0.09 -0.33 0.00 0.00 0.00 178.15 178.23 3iqe h GLU 166 N 0.80 0.76 -0.43 2.37 4.39 -1.27 -1.86 114.58 119.35 3iqe h GLU 166 Ca 0.12 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 3iqe h GLU 166 Cb 0.70 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 3iqe h GLU 166 CO 0.05 0.84 -0.11 0.87 -1.16 0.00 0.00 179.01 179.50 3iqe h LYS 167 N 0.69 0.77 0.00 2.33 1.57 -1.17 -2.05 116.57 118.72 3iqe h LYS 167 Ca 0.12 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3iqe h LYS 167 Cb 0.56 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3iqe h LYS 167 CO 0.03 0.85 -0.10 0.00 -0.57 0.00 0.00 179.45 179.67 3iqe h ALA 168 N 1.18 1.53 0.00 3.86 0.00 -0.71 -0.82 119.26 124.30 3iqe h ALA 168 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iqe h ALA 168 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3iqe h ALA 168 CO 0.04 0.12 0.00 0.87 0.00 0.00 0.00 179.25 180.28 3iqe h LYS 169 N 0.00 0.00 -0.83 0.00 1.57 -0.60 0.50 116.57 117.21 3iqe h LYS 169 Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 3iqe h LYS 169 Cb 0.21 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.36 3iqe h LYS 169 CO 0.01 0.00 0.35 0.39 -0.57 0.00 0.00 179.45 179.63 3iqe n GLU 170 N -2.90 3.27 -1.01 3.15 -0.58 -0.32 -4.93 120.64 117.32 3iqe n GLU 170 Ca 0.02 -2.89 0.00 0.00 -0.42 0.00 0.00 57.16 53.87 3iqe n GLU 170 Cb 0.37 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 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 -0.33 0.00 -2.81 1.62 4.64 0.17 -4.90 116.55 114.93 3iqe n ASP 171 Ca 0.43 0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.84 3iqe n ASP 171 Cb 1.41 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 41.50 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 -0.02 0.36 -0.54 -0.67 2.02 -1.23 -5.05 118.70 113.58 3iqe s GLU 172 Ca 0.00 -0.22 -0.23 0.00 0.02 0.00 0.00 54.97 54.54 3iqe s GLU 172 Cb 0.00 0.02 0.04 0.00 0.10 0.00 0.00 34.13 34.29 3iqe s GLU 172 CO 0.00 -0.49 0.88 0.42 0.02 0.00 0.00 175.26 176.09 3iqe s ILE 173 N 1.59 4.49 0.43 -1.63 1.01 -1.26 -4.81 121.20 121.01 3iqe s ILE 173 Ca 0.18 0.17 0.02 0.00 0.00 0.00 0.00 60.65 61.02 3iqe s ILE 173 Cb 0.04 -4.48 -0.00 0.00 0.01 0.00 0.00 42.46 38.03 3iqe s ILE 173 CO -0.12 -1.03 0.64 -0.94 0.00 0.00 0.00 174.94 173.49 3iqe s SER 174 N 2.76 5.83 0.60 3.58 1.04 -1.26 -4.88 113.70 121.37 3iqe s SER 174 Ca 0.28 0.17 0.39 0.00 0.48 0.00 0.00 55.95 57.27 3iqe s SER 174 Cb -0.14 -1.43 1.90 0.00 0.10 0.00 0.00 66.02 66.45 3iqe s SER 174 CO 0.18 -0.67 2.17 -0.33 0.98 0.00 0.00 173.24 175.57 3iqe h GLU 175 N 0.48 0.00 0.00 4.02 5.08 -1.96 0.23 114.58 122.44 3iqe h GLU 175 Ca -0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3iqe h GLU 175 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3iqe h GLU 175 CO 0.56 0.00 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.58 3iqe h ASN 176 N 0.00 0.00 0.96 1.42 2.35 -1.98 -2.83 115.58 115.51 3iqe h ASN 176 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3iqe h ASN 176 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3iqe h ASN 176 CO 0.00 0.08 -0.62 0.44 -1.65 0.00 0.00 177.43 175.68 3iqe h ASP 177 N 0.00 0.00 -3.59 5.81 3.45 -0.90 -3.48 116.42 117.71 3iqe h ASP 177 Ca -0.00 -0.16 -0.52 0.00 0.43 0.00 0.00 57.03 56.78 3iqe h ASP 177 Cb 0.38 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.18 3iqe h ASP 177 CO 0.01 0.08 0.56 -0.76 -1.57 0.00 0.00 179.24 177.56 3iqe s LEU 178 N -4.49 4.46 0.49 1.55 1.43 -1.07 -4.87 118.68 116.18 3iqe s LEU 178 Ca 0.05 2.32 -0.23 0.00 -1.03 0.00 0.00 54.13 55.24 3iqe s LEU 178 Cb 0.12 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.66 3iqe s LEU 178 CO 0.72 -0.36 1.30 -2.16 0.23 0.00 0.00 176.35 176.08 3iqe s PRO 179 N -0.67 3.52 -0.37 1.29 0.04 -1.26 -4.84 135.00 132.71 3iqe s PRO 179 Ca 0.51 2.12 0.02 0.00 0.04 0.00 0.00 61.00 63.69 3iqe s PRO 179 Cb -0.34 -2.44 0.15 0.00 0.04 0.00 0.00 34.50 31.92 3iqe s PRO 179 CO 0.40 -0.85 0.29 0.15 0.04 0.00 0.00 177.00 177.03 3iqe s LYS 180 N -2.67 0.67 -0.02 4.56 1.02 -1.20 0.65 119.74 122.74 3iqe s LYS 180 Ca 0.65 -1.46 0.04 0.00 0.02 0.00 0.00 55.97 55.22 3iqe s LYS 180 Cb -0.37 -1.20 -0.01 0.00 -0.52 0.00 0.00 37.83 35.73 3iqe s LYS 180 CO 0.45 -1.26 -0.15 -0.51 -0.92 0.00 0.00 175.35 172.96 3iqe s LEU 181 N 0.84 1.95 -0.18 3.17 1.43 -0.40 -4.98 118.68 120.52 3iqe s LEU 181 Ca 0.22 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3iqe s LEU 181 Cb -0.14 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.30 3iqe s LEU 181 CO -0.05 0.16 -0.19 -0.69 0.23 0.00 0.00 176.35 175.80 3iqe s VAL 182 N -0.14 2.02 -0.18 -1.59 1.01 -1.26 -1.17 120.40 119.08 3iqe s VAL 182 Ca 0.01 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 3iqe s VAL 182 Cb -0.08 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3iqe s VAL 182 CO 0.00 0.49 0.05 -0.63 0.00 0.00 0.00 175.10 175.01 3iqe s ILE 183 N 1.30 4.62 0.08 2.22 1.01 0.86 -4.92 121.20 126.37 3iqe s ILE 183 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 3iqe s ILE 183 Cb -0.13 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.27 3iqe s ILE 183 CO -0.12 0.46 0.14 -0.90 0.00 0.00 0.00 174.94 174.52 3iqe n ASP 184 N 3.58 -0.41 -0.20 3.58 5.68 -1.26 -0.76 116.55 126.76 3iqe n ASP 184 Ca -0.17 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 3iqe n ASP 184 Cb 0.52 0.70 0.09 0.00 -1.14 0.00 0.00 41.12 41.30 3iqe n ASP 184 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3iqe h ARG 185 N 0.00 0.13 0.00 0.11 2.43 -1.89 0.85 114.38 116.02 3iqe h ARG 185 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3iqe h ARG 185 Cb 0.25 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3iqe h ARG 185 CO 0.08 0.09 0.00 -0.91 -1.51 0.00 0.00 179.97 177.72 3iqe h ASN 186 N 0.14 0.00 -0.78 -3.80 2.35 -1.97 -2.84 115.58 108.68 3iqe h ASN 186 Ca 0.31 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 56.21 3iqe h ASN 186 Cb 0.49 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.81 3iqe h ASN 186 CO -0.49 0.00 0.51 0.74 -1.65 0.00 0.00 177.43 176.54 3iqe h THR 187 N 0.00 0.81 -0.04 2.81 2.02 -1.17 -1.40 112.91 115.93 3iqe h THR 187 Ca 0.00 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.03 3iqe h THR 187 Cb 0.28 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3iqe h THR 187 CO 0.00 0.09 0.05 -0.07 0.37 0.00 0.00 175.52 175.95 3iqe h LEU 188 N 0.47 0.00 -1.27 2.58 3.38 -1.66 -2.45 115.31 116.36 3iqe h LEU 188 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3iqe h LEU 188 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3iqe h LEU 188 CO -0.13 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.33 3iqe h LEU 189 N 0.00 0.00 -1.86 1.67 3.38 -1.47 -2.93 115.31 114.11 3iqe h LEU 189 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3iqe h LEU 189 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3iqe h LEU 189 CO -0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 3iqe n GLU 190 N -2.60 1.22 -3.66 1.13 1.02 -0.92 -5.00 120.64 111.82 3iqe n GLU 190 Ca 0.01 -1.42 -0.20 0.00 -0.02 0.00 0.00 57.16 55.53 3iqe n GLU 190 Cb 0.21 -1.23 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 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 -0.94 2.99 -0.38 3.49 1.81 -1.11 -5.03 118.95 119.78 3iqe s ARG 191 Ca 0.16 -1.10 0.06 0.00 -1.72 0.00 0.00 55.73 53.13 3iqe s ARG 191 Cb 0.10 -2.69 0.47 0.00 -0.45 0.00 0.00 34.95 32.38 3iqe s ARG 191 CO 0.14 0.12 1.47 0.39 -0.68 0.00 0.00 175.30 176.74 3iqe n GLU 192 N -1.50 2.80 -0.10 3.54 -0.58 -1.26 -4.81 120.64 118.73 3iqe n GLU 192 Ca -0.02 -3.65 -0.10 0.00 -0.42 0.00 0.00 57.16 52.97 3iqe n GLU 192 Cb 0.59 -2.12 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 3iqe n GLU 192 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3iqe h GLU 193 N 1.74 0.49 -5.31 3.49 4.57 -1.96 -3.43 114.58 114.17 3iqe h GLU 193 Ca 0.37 -0.12 -0.63 0.00 -1.18 0.00 0.00 59.36 57.81 3iqe h GLU 193 Cb 1.41 -0.06 -0.19 0.00 -0.16 0.00 0.00 28.75 29.74 3iqe h GLU 193 CO 0.82 0.56 -0.62 -0.06 -1.18 0.00 0.00 179.01 178.53 3iqe s PHE 194 N -5.30 3.12 0.15 0.92 0.08 -1.26 -4.56 117.98 111.13 3iqe s PHE 194 Ca -0.13 -0.14 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 3iqe s PHE 194 Cb 0.09 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 3iqe s PHE 194 CO 0.74 0.06 1.35 1.49 -0.10 0.00 0.00 175.22 178.76 3iqe h GLU 195 N 6.65 0.37 -5.25 0.44 4.81 -1.84 -3.44 114.58 116.32 3iqe h GLU 195 Ca -0.34 -0.37 -0.61 0.00 -0.13 0.00 0.00 59.36 57.91 3iqe h GLU 195 Cb 1.18 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 30.53 3iqe h GLU 195 CO 0.66 1.04 -0.38 1.21 -0.73 0.00 0.00 179.01 180.81 3iqe s ASN 196 N -7.02 6.26 0.48 1.04 2.47 -1.26 -4.97 114.94 111.93 3iqe s ASN 196 Ca -0.05 0.29 0.23 0.00 0.42 0.00 0.00 52.86 53.75 3iqe s ASN 196 Cb 0.09 -2.16 1.20 0.00 -1.45 0.00 0.00 41.25 38.94 3iqe s ASN 196 CO 0.85 0.02 1.99 1.55 -3.72 0.00 0.00 177.10 177.79 3iqe h PRO 197 N 7.38 0.00 0.04 0.43 0.13 -2.00 -1.94 132.00 136.03 3iqe h PRO 197 Ca -0.38 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.53 3iqe h PRO 197 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3iqe h PRO 197 CO 0.69 0.19 -1.03 1.88 -0.23 0.00 0.00 178.00 179.50 3iqe h TYR 198 N 0.00 0.20 -0.36 1.56 0.05 -1.98 0.72 116.97 117.17 3iqe h TYR 198 Ca -0.00 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 3iqe h TYR 198 Cb 0.44 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 3iqe h TYR 198 CO 0.00 1.06 0.22 0.00 -1.05 0.00 0.00 178.16 178.39 3iqe h ALA 199 N 0.89 0.46 -0.34 3.88 0.00 -1.68 -0.90 119.26 121.57 3iqe h ALA 199 Ca -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3iqe h ALA 199 Cb 1.74 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 3iqe h ALA 199 CO 0.15 -0.05 0.17 1.98 0.00 0.00 0.00 179.25 181.50 3iqe h MET 200 N 0.48 0.35 -0.07 0.00 1.85 -0.91 -0.21 114.93 116.41 3iqe h MET 200 Ca 0.13 -0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 59.11 3iqe h MET 200 Cb -0.01 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.93 3iqe h MET 200 CO -0.03 0.23 -0.37 0.28 -0.40 0.00 0.00 176.91 176.62 3iqe h VAL 201 N 0.36 1.29 -0.52 -5.77 2.07 -0.64 -0.71 116.25 112.32 3iqe h VAL 201 Ca 0.14 -1.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.17 3iqe h VAL 201 Cb 0.05 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3iqe h VAL 201 CO -0.10 0.41 -0.11 0.11 0.02 0.00 0.00 177.57 177.90 3iqe h LYS 202 N 0.13 1.00 -0.60 1.57 1.57 -0.93 0.01 116.57 119.31 3iqe h LYS 202 Ca 0.01 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 3iqe h LYS 202 Cb 0.72 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3iqe h LYS 202 CO 0.05 1.06 0.21 0.00 -0.57 0.00 0.00 179.45 180.20 3iqe h ALA 203 N 0.91 0.78 -0.98 3.86 0.00 -0.51 -0.71 119.26 122.61 3iqe h ALA 203 Ca 0.13 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3iqe h ALA 203 Cb 0.68 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3iqe h ALA 203 CO 0.05 0.43 0.65 0.52 0.00 0.00 0.00 179.25 180.90 3iqe h MET 204 N 0.84 1.27 -0.66 0.00 2.86 -0.91 -0.75 114.93 117.58 3iqe h MET 204 Ca 0.20 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3iqe h MET 204 Cb 0.25 -0.29 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3iqe h MET 204 CO -0.01 0.84 0.16 0.00 1.06 0.00 0.00 176.91 178.96 3iqe h ALA 205 N 1.37 1.03 -0.34 6.32 0.00 -0.48 -1.38 119.26 125.78 3iqe h ALA 205 Ca 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3iqe h ALA 205 Cb -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3iqe h ALA 205 CO -0.09 0.64 0.19 0.00 0.00 0.00 0.00 179.25 179.98 3iqe h ALA 206 N 1.17 0.44 -0.21 0.00 0.00 -0.59 -0.21 119.26 119.86 3iqe h ALA 206 Ca 0.21 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3iqe h ALA 206 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iqe h ALA 206 CO 0.00 -0.04 -0.23 -0.07 0.00 0.00 0.00 179.25 178.92 3iqe h LEU 207 N 0.43 0.37 -0.07 0.00 3.38 -0.80 -0.01 115.31 118.61 3iqe h LEU 207 Ca 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3iqe h LEU 207 Cb 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3iqe h LEU 207 CO -0.02 0.61 -0.04 -0.08 0.09 0.00 0.00 178.44 179.00 3iqe h GLU 208 N 0.34 0.16 -0.46 1.13 4.57 -0.99 -0.58 114.58 118.74 3iqe h GLU 208 Ca 0.05 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3iqe h GLU 208 Cb 0.59 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.14 3iqe h GLU 208 CO 0.04 0.54 0.21 0.82 -1.18 0.00 0.00 179.01 179.44 3iqe h ILE 209 N -0.22 0.93 -0.77 2.32 2.04 -0.65 -0.71 117.51 120.45 3iqe h ILE 209 Ca 0.02 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3iqe h ILE 209 Cb 0.49 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3iqe h ILE 209 CO 0.01 0.08 0.50 0.00 0.00 0.00 0.00 178.15 178.74 3iqe h ALA 210 N 1.26 1.00 -0.06 1.87 0.00 -0.92 -1.31 119.26 121.11 3iqe h ALA 210 Ca 0.20 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3iqe h ALA 210 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iqe h ALA 210 CO -0.16 0.34 -0.54 1.49 0.00 0.00 0.00 179.25 180.38 3iqe h GLU 211 N 1.00 0.16 0.00 0.00 4.81 -0.68 -2.73 114.58 117.14 3iqe h GLU 211 Ca 0.30 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3iqe h GLU 211 Cb -0.05 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3iqe h GLU 211 CO -0.09 0.66 -0.38 -0.91 -0.73 0.00 0.00 179.01 177.56 3iqe h ASN 212 N 0.12 0.00 -0.94 1.04 2.35 -0.27 -3.17 115.58 114.71 3iqe h ASN 212 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.90 3iqe h ASN 212 Cb 0.99 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.27 3iqe h ASN 212 CO 0.08 0.38 0.55 0.58 -1.65 0.00 0.00 177.43 177.37 3iqe h VAL 213 N 0.00 0.78 -0.77 2.81 2.07 -0.94 -2.76 116.25 117.43 3iqe h VAL 213 Ca -0.00 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3iqe h VAL 213 Cb 0.73 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3iqe h VAL 213 CO 0.05 0.14 0.44 0.00 0.02 0.00 0.00 177.57 178.22 3iqe h ALA 214 N 1.57 0.99 -0.53 1.67 0.00 -1.65 -0.04 119.26 121.28 3iqe h ALA 214 Ca 0.51 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.35 3iqe h ALA 214 Cb 0.67 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3iqe h ALA 214 CO -0.34 0.49 0.28 -0.44 0.00 0.00 0.00 179.25 179.24 3iqe h ASP 215 N 1.07 0.40 -0.19 0.00 3.45 -1.67 0.28 116.42 119.76 3iqe h ASP 215 Ca 0.27 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.75 3iqe h ASP 215 Cb 0.02 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 3iqe h ASP 215 CO -0.05 0.28 0.06 0.58 -1.57 0.00 0.00 179.24 178.54 3iqe h VAL 216 N 0.53 1.18 -0.99 -1.35 2.07 -0.96 -2.39 116.25 114.34 3iqe h VAL 216 Ca 0.23 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3iqe h VAL 216 Cb 0.13 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3iqe h VAL 216 CO -0.15 0.18 0.65 0.28 0.02 0.00 0.00 177.57 178.54 3iqe h SER 217 N 0.13 1.08 -0.69 0.57 0.02 -0.90 -1.83 113.55 111.94 3iqe h SER 217 Ca 0.06 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3iqe h SER 217 Cb 0.22 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3iqe h SER 217 CO -0.00 0.73 0.20 0.58 -1.14 0.00 0.00 176.83 177.19 3iqe h VAL 218 N 1.24 1.26 -0.39 2.27 2.07 -0.84 -0.30 116.25 121.56 3iqe h VAL 218 Ca 0.40 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3iqe h VAL 218 Cb 0.03 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3iqe h VAL 218 CO -0.13 0.35 0.16 -0.08 0.02 0.00 0.00 177.57 177.88 3iqe h GLU 219 N 1.01 0.59 0.00 1.57 4.81 -0.97 -1.32 114.58 120.27 3iqe h GLU 219 Ca 0.22 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3iqe h GLU 219 Cb 0.33 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3iqe h GLU 219 CO -0.00 0.56 -0.45 0.78 -0.73 0.00 0.00 179.01 179.16 3iqe h GLY 220 N 0.49 0.00 0.34 1.92 0.00 -1.11 0.19 103.07 104.90 3iqe h GLY 220 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.12 3iqe h GLY 220 CO -0.01 0.00 -2.15 0.00 0.00 0.00 0.00 176.54 174.38 3iqe n PHE 222 N -2.87 0.00 -0.06 0.00 3.72 -0.51 -4.91 117.46 112.84 3iqe n PHE 222 Ca -0.28 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.01 3iqe n PHE 222 Cb 1.12 -0.17 -0.04 0.00 -0.94 0.00 0.00 39.48 39.46 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 -1.90 1.30 -2.09 -4.37 0.31 -0.85 -4.96 118.33 105.75 3iqe n VAL 223 Ca -0.04 0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 3iqe n VAL 223 Cb 0.37 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 31.27 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 -2.54 4.28 -0.01 5.55 2.56 0.60 -4.92 118.70 124.23 3iqe s GLU 224 Ca -0.22 2.17 0.13 0.00 0.00 0.00 0.00 54.97 57.04 3iqe s GLU 224 Cb 0.05 -3.23 -0.17 0.00 2.00 0.00 0.00 34.13 32.78 3iqe s GLU 224 CO 0.31 -0.50 0.38 1.04 -0.56 0.00 0.00 175.26 175.93 3iqe n GLN 225 N 4.03 1.42 -2.94 4.30 1.13 -1.26 -4.79 117.38 119.28 3iqe n GLN 225 Ca 0.12 -0.07 -0.42 0.00 -1.94 0.00 0.00 57.00 54.70 3iqe n GLN 225 Cb 0.41 -1.21 -0.05 0.00 0.11 0.00 0.00 30.24 29.50 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 -2.94 6.65 0.41 1.08 3.68 -1.26 -4.95 116.67 119.35 3iqe s ASP 226 Ca -0.01 0.61 0.13 0.00 2.13 0.00 0.00 52.55 55.42 3iqe s ASP 226 Cb 0.09 -2.41 0.98 0.00 -1.45 0.00 0.00 42.92 40.13 3iqe s ASP 226 CO 0.52 -0.65 1.93 0.07 0.13 0.00 0.00 175.17 177.18 3iqe h LYS 227 N 8.19 0.47 -0.08 4.34 2.10 -1.97 0.30 116.57 129.92 3iqe h LYS 227 Ca -0.24 -0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.40 3iqe h LYS 227 Cb 1.09 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.32 3iqe h LYS 227 CO 0.89 0.31 0.08 0.93 -2.00 0.00 0.00 179.45 179.67 3iqe h GLU 228 N 0.48 0.00 0.00 0.07 5.08 -2.01 -2.19 114.58 116.01 3iqe h GLU 228 Ca 0.35 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.39 3iqe h GLU 228 Cb 0.70 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 3iqe h GLU 228 CO -0.12 0.00 -2.18 0.54 -1.00 0.00 0.00 179.01 176.26 3iqe n ARG 229 N -3.93 0.50 0.13 2.33 1.74 -0.16 -4.44 116.66 112.83 3iqe n ARG 229 Ca -0.01 0.14 -0.01 0.00 -0.77 0.00 0.00 57.85 57.20 3iqe n ARG 229 Cb 0.18 -1.37 0.23 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.21 0.15 0.02 -1.55 -0.00 -0.34 -2.55 116.97 112.49 3iqe h TYR 230 Ca -0.48 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.73 58.20 3iqe h TYR 230 Cb 1.65 -0.03 0.00 0.00 -0.00 0.00 0.00 36.73 38.34 3iqe h TYR 230 CO -0.00 0.58 -0.01 0.28 -0.00 0.00 0.00 178.16 179.01 3iqe h VAL 231 N 0.10 1.22 -0.84 -0.90 2.07 -1.65 -1.38 116.25 114.87 3iqe h VAL 231 Ca 0.00 -0.70 0.09 0.00 0.82 0.00 0.00 66.70 66.91 3iqe h VAL 231 Cb 0.88 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 3iqe h VAL 231 CO 0.07 0.18 0.55 -0.65 0.02 0.00 0.00 177.57 177.73 3iqe h PRO 232 N -0.32 0.79 -0.12 1.57 0.10 -1.75 -1.40 132.00 130.86 3iqe h PRO 232 Ca -0.00 -0.05 -0.01 0.00 0.10 0.00 0.00 66.00 66.04 3iqe h PRO 232 Cb 0.31 -0.18 -0.01 0.00 0.10 0.00 0.00 31.00 31.23 3iqe h PRO 232 CO 0.00 0.52 0.04 0.82 0.10 0.00 0.00 178.00 179.48 3iqe h ILE 233 N 0.81 1.17 -0.60 4.15 2.04 -1.00 -0.88 117.51 123.20 3iqe h ILE 233 Ca 0.39 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 3iqe h ILE 233 Cb 0.41 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3iqe h ILE 233 CO -0.15 0.15 0.01 -0.37 0.00 0.00 0.00 178.15 177.79 3iqe h VAL 234 N 0.02 1.26 -1.00 1.67 -1.51 -1.14 -2.15 116.25 113.40 3iqe h VAL 234 Ca 0.04 -1.12 0.01 0.00 -1.23 0.00 0.00 66.70 64.40 3iqe h VAL 234 Cb 0.20 0.78 -0.05 0.00 -2.13 0.00 0.00 31.29 30.09 3iqe h VAL 234 CO -0.00 0.41 0.65 0.00 -1.23 0.00 0.00 177.57 177.39 3iqe h ALA 235 N 1.06 1.26 -0.62 5.19 0.00 -1.14 -2.22 119.26 122.79 3iqe h ALA 235 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3iqe h ALA 235 Cb 0.53 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3iqe h ALA 235 CO 0.03 0.67 0.34 0.66 0.00 0.00 0.00 179.25 180.95 3iqe h SER 236 N 1.35 0.75 -0.70 0.00 4.64 -0.52 -2.27 113.55 116.81 3iqe h SER 236 Ca 0.36 -0.05 0.08 0.00 -0.47 0.00 0.00 61.79 61.72 3iqe h SER 236 Cb -0.14 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 61.69 3iqe h SER 236 CO -0.08 0.60 0.36 0.00 -0.87 0.00 0.00 176.83 176.85 3iqe h ALA 237 N 1.52 0.96 -0.50 5.18 0.00 -1.01 0.65 119.26 126.06 3iqe h ALA 237 Ca 0.22 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3iqe h ALA 237 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3iqe h ALA 237 CO -0.04 -0.02 -0.13 0.45 0.00 0.00 0.00 179.25 179.52 3iqe h HIS 238 N 0.63 1.07 -0.37 0.00 3.86 -1.18 -2.30 115.15 116.86 3iqe h HIS 238 Ca 0.34 -0.22 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3iqe h HIS 238 Cb 0.32 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 3iqe h HIS 238 CO -0.10 1.01 0.18 0.93 0.86 0.00 0.00 177.93 180.82 3iqe h GLU 239 N 0.85 0.37 -0.75 2.45 4.39 -0.98 -1.38 114.58 119.52 3iqe h GLU 239 Ca 0.13 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.88 3iqe h GLU 239 Cb 0.68 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.18 3iqe h GLU 239 CO 0.05 0.24 0.44 0.52 -1.16 0.00 0.00 179.01 179.10 3iqe h MET 240 N 0.38 0.76 -0.44 2.33 2.86 -0.60 -2.71 114.93 117.51 3iqe h MET 240 Ca 0.16 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 3iqe h MET 240 Cb 0.06 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3iqe h MET 240 CO -0.11 0.50 -0.11 1.98 1.06 0.00 0.00 176.91 180.24 3iqe h MET 241 N 0.79 0.79 -0.74 1.72 1.85 -0.94 0.53 114.93 118.92 3iqe h MET 241 Ca 0.34 -0.26 0.05 0.00 -0.61 0.00 0.00 59.70 59.22 3iqe h MET 241 Cb 0.22 -0.07 -0.05 0.00 0.43 0.00 0.00 31.60 32.13 3iqe h MET 241 CO -0.19 0.87 0.44 -0.09 -0.40 0.00 0.00 176.91 177.54 3iqe h ARG 242 N 0.72 0.80 -0.17 0.39 2.43 -1.04 -0.19 114.38 117.31 3iqe h ARG 242 Ca 0.12 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 3iqe h ARG 242 Cb 0.59 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3iqe h ARG 242 CO 0.04 0.53 -0.52 0.87 -1.51 0.00 0.00 179.97 179.38 3iqe h LYS 243 N 0.83 0.49 -0.83 0.20 1.79 -1.15 -2.43 116.57 115.46 3iqe h LYS 243 Ca 0.32 -0.29 0.08 0.00 -2.18 0.00 0.00 60.65 58.58 3iqe h LYS 243 Cb 0.14 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.75 3iqe h LYS 243 CO -0.16 0.89 0.50 0.00 -1.08 0.00 0.00 179.45 179.59 3iqe h ALA 244 N 1.06 1.16 -0.38 3.86 0.00 -0.05 -1.19 119.26 123.73 3iqe h ALA 244 Ca 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3iqe h ALA 244 Cb 1.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3iqe h ALA 244 CO 0.09 0.18 -0.14 0.00 0.00 0.00 0.00 179.25 179.39 3iqe h ALA 245 N 1.43 1.05 -0.42 0.00 0.00 -0.81 -1.53 119.26 118.97 3iqe h ALA 245 Ca 0.38 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3iqe h ALA 245 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iqe h ALA 245 CO -0.21 0.58 -0.22 1.49 0.00 0.00 0.00 179.25 180.89 3iqe h GLU 246 N 0.62 0.85 -0.65 0.00 4.81 -0.91 -1.53 114.58 117.76 3iqe h GLU 246 Ca 0.10 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3iqe h GLU 246 Cb 0.59 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3iqe h GLU 246 CO 0.04 0.99 0.33 -0.07 -0.73 0.00 0.00 179.01 179.57 3iqe h LEU 247 N 0.73 0.84 -0.59 1.64 3.38 -0.80 -0.79 115.31 119.73 3iqe h LEU 247 Ca 0.10 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3iqe h LEU 247 Cb 0.76 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3iqe h LEU 247 CO 0.06 0.72 0.11 0.00 0.09 0.00 0.00 178.44 179.42 3iqe h ALA 248 N 1.15 0.78 -0.80 1.53 0.00 -0.99 -2.11 119.26 118.83 3iqe h ALA 248 Ca 0.23 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3iqe h ALA 248 Cb 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3iqe h ALA 248 CO -0.03 0.51 0.52 0.22 0.00 0.00 0.00 179.25 180.47 3iqe h ASP 249 N 0.86 0.87 -0.75 0.00 3.58 -1.04 -1.87 116.42 118.08 3iqe h ASP 249 Ca 0.18 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.64 3iqe h ASP 249 Cb 0.39 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 3iqe h ASP 249 CO 0.01 0.61 0.48 -0.33 -2.88 0.00 0.00 179.24 177.12 3iqe h GLU 250 N 1.02 0.92 0.02 0.28 5.08 -0.79 0.60 114.58 121.72 3iqe h GLU 250 Ca 0.31 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3iqe h GLU 250 Cb -0.03 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3iqe h GLU 250 CO -0.10 0.61 -0.10 0.00 -1.00 0.00 0.00 179.01 178.42 3iqe h ALA 251 N 1.30 -0.13 -0.59 3.43 0.00 -1.12 -1.62 119.26 120.53 3iqe h ALA 251 Ca 0.29 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.24 3iqe h ALA 251 Cb -0.03 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3iqe h ALA 251 CO -0.09 -0.60 0.35 -0.09 0.00 0.00 0.00 179.25 178.81 3iqe h ARG 252 N -0.18 0.66 0.00 0.00 2.43 -0.97 -0.70 114.38 115.61 3iqe h ARG 252 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3iqe h ARG 252 Cb 0.22 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3iqe h ARG 252 CO -0.09 0.43 -0.04 0.93 -1.51 0.00 0.00 179.97 179.70 3iqe h GLU 253 N 0.68 0.00 -0.14 0.20 4.39 -0.65 -0.63 114.58 118.43 3iqe h GLU 253 Ca 0.24 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.75 3iqe h GLU 253 Cb 0.06 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3iqe h GLU 253 CO -0.12 0.04 -0.65 -0.07 -1.16 0.00 0.00 179.01 177.04 3iqe h LEU 254 N 0.00 0.82 -0.74 1.33 3.38 -0.15 -1.54 115.31 118.41 3iqe h LEU 254 Ca -0.00 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 3iqe h LEU 254 Cb 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3iqe h LEU 254 CO 0.00 1.32 0.39 -0.33 0.09 0.00 0.00 178.44 179.91 3iqe h GLU 255 N 0.39 1.04 -0.98 1.13 4.39 -0.80 -1.93 114.58 117.82 3iqe h GLU 255 Ca -0.04 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.57 3iqe h GLU 255 Cb 1.29 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 29.68 3iqe h GLU 255 CO 0.14 0.79 0.64 0.87 -1.16 0.00 0.00 179.01 180.29 3iqe h LYS 256 N 1.03 1.18 0.00 2.33 1.57 -1.00 -0.80 116.57 120.88 3iqe h LYS 256 Ca 0.26 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3iqe h LYS 256 Cb 0.06 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 3iqe h LYS 256 CO -0.04 0.78 -0.04 0.66 -0.57 0.00 0.00 179.45 180.24 3iqe h SER 257 N 1.21 0.00 -0.40 0.86 4.64 -0.48 -1.49 113.55 117.90 3iqe h SER 257 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3iqe h SER 257 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3iqe h SER 257 CO -0.14 0.04 0.00 0.59 -0.87 0.00 0.00 176.83 176.45 3iqe n ASN 258 N -3.29 4.09 -4.10 4.97 3.02 -0.95 -4.97 115.26 114.04 3iqe n ASN 258 Ca -0.01 -2.66 -0.45 0.00 -0.03 0.00 0.00 54.58 51.43 3iqe n ASN 258 Cb 0.20 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 38.88 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 0.20 -3.47 -0.62 6.41 2.03 -0.56 -4.87 116.55 115.67 3iqe n ASP 259 Ca 0.21 -1.29 0.02 0.00 0.52 0.00 0.00 54.79 54.25 3iqe n ASP 259 Cb 0.83 -1.71 0.03 0.00 -0.72 0.00 0.00 41.12 39.55 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 -4.98 2.16 -1.93 -1.67 0.00 -0.35 -4.16 120.51 109.57 3iqe n ALA 260 Ca -0.14 -1.54 -0.43 0.00 0.00 0.00 0.00 53.44 51.33 3iqe n ALA 260 Cb 0.58 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.51 3.41 0.04 0.00 1.01 -1.23 -4.65 120.40 118.47 3iqe s VAL 261 Ca 0.12 0.43 -0.33 0.00 0.00 0.00 0.00 61.98 62.20 3iqe s VAL 261 Cb 0.12 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.87 3iqe s VAL 261 CO -0.03 -0.30 1.83 -0.11 0.00 0.00 0.00 175.10 176.49 3iqe n LEU 262 N 10.11 3.68 -4.10 3.92 7.94 -1.26 -4.42 117.00 132.87 3iqe n LEU 262 Ca 0.23 0.99 -0.28 0.00 -1.11 0.00 0.00 56.01 55.84 3iqe n LEU 262 Cb 0.46 -1.46 -0.17 0.00 0.53 0.00 0.00 43.42 42.78 3iqe n LEU 262 CO 0.67 0.01 -0.50 -0.13 -1.11 0.00 0.00 177.39 176.33 3iqe s ARG 263 N 3.16 2.23 -0.55 1.96 0.52 -0.67 -5.03 118.95 120.57 3iqe s ARG 263 Ca 0.86 -0.60 0.07 0.00 -0.52 0.00 0.00 55.73 55.55 3iqe s ARG 263 Cb -0.59 -1.77 0.26 0.00 0.52 0.00 0.00 34.95 33.38 3iqe s ARG 263 CO 0.43 0.08 0.69 0.25 0.02 0.00 0.00 175.30 176.77 3iqe n THR 264 N 3.73 1.36 -1.58 0.02 -2.24 -1.26 -1.43 114.28 112.86 3iqe n THR 264 Ca -0.21 -4.84 -0.31 0.00 -2.27 0.00 0.00 64.05 56.42 3iqe n THR 264 Cb 0.52 -1.94 0.07 0.00 -2.10 0.00 0.00 70.33 66.88 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 -2.14 2.60 0.22 -0.78 0.04 -1.25 -4.65 135.00 129.05 3iqe s PRO 265 Ca 0.39 0.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 3iqe s PRO 265 Cb 0.17 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 3iqe s PRO 265 CO -0.05 -1.30 0.62 -1.01 0.04 0.00 0.00 177.00 175.30 3iqe s HIS 266 N -3.11 3.51 0.48 0.56 3.76 -1.26 -0.23 115.29 119.00 3iqe s HIS 266 Ca 0.59 1.10 -0.03 0.00 -0.15 0.00 0.00 55.06 56.56 3iqe s HIS 266 Cb -0.14 -2.42 -0.02 0.00 1.11 0.00 0.00 32.58 31.11 3iqe s HIS 266 CO 0.55 0.29 0.76 0.00 -0.85 0.00 0.00 174.74 175.48 3iqe s ALA 267 N -1.70 3.49 0.54 -1.40 0.00 -0.00 -4.90 121.76 117.79 3iqe s ALA 267 Ca 0.45 -0.71 0.26 0.00 0.00 0.00 0.00 51.96 51.95 3iqe s ALA 267 Cb -0.13 -2.44 1.43 0.00 0.00 0.00 0.00 23.12 21.99 3iqe s ALA 267 CO 0.20 -0.41 2.01 -1.35 0.00 0.00 0.00 175.76 176.20 3iqe h PRO 268 N 0.24 0.00 -0.00 0.00 0.11 -1.89 0.26 132.00 130.72 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 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iqe h PRO 268 CO 0.61 0.00 -0.13 -0.40 -0.21 0.00 0.00 178.00 177.87 3iqe n ASP 269 N -4.24 0.47 0.00 -2.05 5.75 -1.26 0.06 116.55 115.27 3iqe n ASP 269 Ca 0.08 -0.51 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 3iqe n ASP 269 Cb 0.54 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 1.31 3.01 3.72 6.12 0.00 0.93 -4.69 105.19 115.59 3iqe n GLY 270 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.55 2.33 -2.95 1.61 4.81 -1.26 -4.53 118.16 116.62 3iqe n LYS 271 Ca 0.00 0.82 -0.41 0.00 -0.87 0.00 0.00 58.31 57.84 3iqe n LYS 271 Cb 0.00 -2.47 -0.05 0.00 0.02 0.00 0.00 35.03 32.54 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 -0.91 4.87 0.69 3.15 1.01 -1.26 -0.82 120.40 127.13 3iqe s VAL 272 Ca 0.57 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.96 3iqe s VAL 272 Cb -0.54 -4.07 0.10 0.00 0.00 0.00 0.00 36.38 31.87 3iqe s VAL 272 CO 0.60 -0.06 0.96 -0.76 0.00 0.00 0.00 175.10 175.85 3iqe s LEU 273 N 2.77 3.01 0.02 3.92 1.43 0.68 -4.98 118.68 125.52 3iqe s LEU 273 Ca 0.32 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 3iqe s LEU 273 Cb -0.15 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.80 3iqe s LEU 273 CO 0.08 -1.73 0.22 -0.55 0.23 0.00 0.00 176.35 174.60 3iqe s SER 274 N -4.66 -0.03 -0.03 2.29 0.15 -1.26 -3.74 113.70 106.42 3iqe s SER 274 Ca 0.64 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.79 3iqe s SER 274 Cb -0.07 0.28 0.10 0.00 -1.71 0.00 0.00 66.02 64.62 3iqe s SER 274 CO 0.43 -0.49 0.84 -1.59 1.20 0.00 0.00 173.24 173.63 3iqe s LYS 275 N -2.00 0.87 -0.06 5.44 -2.85 -0.52 -0.92 119.74 119.70 3iqe s LYS 275 Ca -0.09 -0.10 -0.03 0.00 -1.00 0.00 0.00 55.97 54.74 3iqe s LYS 275 Cb -0.04 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 3iqe s LYS 275 CO -0.01 -0.34 -0.09 0.54 0.10 0.00 0.00 175.35 175.56 3iqe n ARG 276 N 0.21 0.14 -2.56 1.78 5.12 -1.26 -1.68 116.66 118.42 3iqe n ARG 276 Ca -0.12 0.06 -0.40 0.00 -1.93 0.00 0.00 57.85 55.46 3iqe n ARG 276 Cb 0.60 -0.74 -0.05 0.00 -1.16 0.00 0.00 32.46 31.12 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 -2.13 4.68 0.26 5.56 1.02 -1.26 -3.53 119.74 124.34 3iqe s LYS 277 Ca -0.09 1.70 -0.02 0.00 0.02 0.00 0.00 55.97 57.58 3iqe s LYS 277 Cb 0.03 -3.19 0.51 0.00 -0.52 0.00 0.00 37.83 34.67 3iqe s LYS 277 CO 0.12 0.28 1.76 0.35 -0.92 0.00 0.00 175.35 176.94 3iqe h PHE 278 N 3.85 0.71 -0.21 3.18 3.04 -1.92 -1.74 116.94 123.85 3iqe h PHE 278 Ca -0.46 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.52 3iqe h PHE 278 Cb 1.21 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.53 3iqe h PHE 278 CO 0.59 0.16 0.00 -1.33 -2.02 0.00 0.00 178.31 175.71 3iqe n MET 279 N -4.90 2.03 -2.92 1.11 2.81 -1.26 -4.91 117.12 109.08 3iqe n MET 279 Ca 0.16 -1.55 -0.39 0.00 -1.81 0.00 0.00 57.70 54.12 3iqe n MET 279 Cb 0.43 -1.45 -0.06 0.00 -0.71 0.00 0.00 33.22 31.43 3iqe n MET 279 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3iqe s GLU 280 N -1.73 4.59 0.26 0.03 -1.05 -0.66 -5.02 118.70 115.12 3iqe s GLU 280 Ca 0.34 1.21 -0.30 0.00 -0.15 0.00 0.00 54.97 56.08 3iqe s GLU 280 Cb 0.20 -3.15 -0.10 0.00 -0.44 0.00 0.00 34.13 30.64 3iqe s GLU 280 CO 0.29 0.50 1.29 -0.51 0.95 0.00 0.00 175.26 177.78 3iqe s ASP 281 N -1.29 6.88 0.45 0.83 -0.00 -1.26 -4.90 116.67 117.38 3iqe s ASP 281 Ca 0.40 2.51 -0.24 0.00 -0.00 0.00 0.00 52.55 55.21 3iqe s ASP 281 Cb -0.22 -2.63 -0.08 0.00 -0.00 0.00 0.00 42.92 39.99 3iqe s ASP 281 CO 0.26 -0.49 1.31 -2.16 -0.00 0.00 0.00 175.17 174.10 3iqe s PRO 282 N -0.93 3.70 0.00 8.23 0.04 -1.26 -4.85 135.00 139.94 3iqe s PRO 282 Ca 0.52 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.72 3iqe s PRO 282 Cb -0.37 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.59 3iqe s PRO 282 CO 0.44 -0.71 0.00 0.39 0.04 0.00 0.00 177.00 177.16