#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 4.65 0.31 12.58 1.01 -1.26 -4.72 120.40 132.97 3iqe s VAL 3 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.56 3iqe s VAL 3 Cb 0.00 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 3iqe s VAL 3 CO 0.00 0.24 0.96 0.00 0.00 0.00 0.00 175.10 176.31 3iqe s ALA 4 N 1.65 3.24 -0.02 5.51 0.00 -0.25 -4.92 121.76 126.96 3iqe s ALA 4 Ca 0.06 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.64 3iqe s ALA 4 Cb -0.16 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 3iqe s ALA 4 CO 0.06 0.12 -0.11 0.15 0.00 0.00 0.00 175.76 175.98 3iqe s LYS 5 N -1.87 1.10 0.01 0.00 1.02 -1.26 -2.35 119.74 116.38 3iqe s LYS 5 Ca 0.49 -0.40 -0.05 0.00 0.02 0.00 0.00 55.97 56.03 3iqe s LYS 5 Cb -0.21 -1.02 -0.01 0.00 -0.52 0.00 0.00 37.83 36.07 3iqe s LYS 5 CO 0.27 0.19 0.08 0.00 -0.92 0.00 0.00 175.35 174.97 3iqe s ALA 6 N 0.00 -0.18 -0.12 5.17 0.00 -1.08 0.11 121.76 125.65 3iqe s ALA 6 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3iqe s ALA 6 Cb -0.08 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3iqe s ALA 6 CO 0.00 -0.19 -0.06 0.42 0.00 0.00 0.00 175.76 175.94 3iqe s ILE 7 N -1.37 3.74 -0.14 0.00 1.01 -1.03 -1.49 121.20 121.92 3iqe s ILE 7 Ca -0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 3iqe s ILE 7 Cb -0.08 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 3iqe s ILE 7 CO 0.01 0.54 -0.09 -0.36 0.00 0.00 0.00 174.94 175.03 3iqe s PHE 8 N -0.07 2.90 -0.16 3.97 0.40 0.71 -1.14 117.98 124.60 3iqe s PHE 8 Ca 0.01 -0.52 -0.02 0.00 -0.60 0.00 0.00 56.93 55.80 3iqe s PHE 8 Cb -0.13 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.49 3iqe s PHE 8 CO 0.03 -0.15 -0.09 0.42 0.70 0.00 0.00 175.22 176.13 3iqe s ILE 9 N 0.39 3.29 -0.27 0.64 1.01 0.84 -0.88 121.20 126.21 3iqe s ILE 9 Ca -0.08 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3iqe s ILE 9 Cb -0.15 -2.43 0.07 0.00 0.01 0.00 0.00 42.46 39.97 3iqe s ILE 9 CO 0.04 0.49 -0.02 -0.54 0.00 0.00 0.00 174.94 174.92 3iqe s LYS 10 N 0.68 1.50 -0.13 2.79 1.02 -0.32 0.09 119.74 125.37 3iqe s LYS 10 Ca -0.05 -1.18 0.01 0.00 0.02 0.00 0.00 55.97 54.78 3iqe s LYS 10 Cb -0.15 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 3iqe s LYS 10 CO 0.02 -0.71 -0.16 0.00 -0.92 0.00 0.00 175.35 173.58 3iqe n GLY 12 N 4.41 -2.28 3.06 0.00 0.00 0.26 -4.14 105.19 106.50 3iqe n GLY 12 Ca -0.19 -1.53 -0.19 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 -2.61 1.24 0.00 1.61 2.47 -1.26 -4.65 114.94 111.74 3iqe s ASN 13 Ca 0.00 -0.26 -0.05 0.00 0.42 0.00 0.00 52.86 52.97 3iqe s ASN 13 Cb 0.00 -0.11 -0.00 0.00 -1.45 0.00 0.00 41.25 39.68 3iqe s ASN 13 CO 0.00 0.08 0.09 -0.22 -3.72 0.00 0.00 177.10 173.33 3iqe s LEU 14 N -0.51 1.72 0.27 3.21 2.96 -1.26 -4.54 118.68 120.53 3iqe s LEU 14 Ca 0.02 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 3iqe s LEU 14 Cb -0.05 0.49 0.38 0.00 0.50 0.00 0.00 46.19 47.52 3iqe s LEU 14 CO 0.00 -0.31 1.92 1.23 -1.32 0.00 0.00 176.35 177.87 3iqe h GLY 15 N 4.61 1.39 1.83 7.98 0.00 -1.94 -0.66 103.07 116.29 3iqe h GLY 15 Ca -0.30 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 46.37 3iqe h GLY 15 CO 0.41 0.41 -0.80 -0.84 0.00 0.00 0.00 176.54 175.72 3iqe h THR 16 N 1.21 1.49 0.00 4.70 2.02 -1.96 -3.06 112.91 117.32 3iqe h THR 16 Ca 0.38 -2.50 -0.08 0.00 0.77 0.00 0.00 66.41 64.98 3iqe h THR 16 Cb 0.01 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 3iqe h THR 16 CO -0.12 0.73 -0.42 0.77 0.37 0.00 0.00 175.52 176.85 3iqe h SER 17 N 0.09 0.00 -0.60 4.18 4.64 -1.83 -1.63 113.55 118.40 3iqe h SER 17 Ca -0.03 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 3iqe h SER 17 Cb 1.40 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.46 3iqe h SER 17 CO 0.12 0.36 0.13 -0.03 -0.87 0.00 0.00 176.83 176.54 3iqe h MET 18 N 0.00 1.00 -0.00 4.77 4.05 -1.04 -3.31 114.93 120.41 3iqe h MET 18 Ca -0.01 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 3iqe h MET 18 Cb 1.28 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3iqe h MET 18 CO 0.05 0.91 -0.80 -1.33 0.23 0.00 0.00 176.91 175.96 3iqe n MET 19 N -4.24 1.12 -0.27 0.39 2.81 -1.16 -4.74 117.12 111.03 3iqe n MET 19 Ca 0.04 -0.08 0.08 0.00 -1.81 0.00 0.00 57.70 55.94 3iqe n MET 19 Cb 0.26 -1.35 0.22 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 0.19 0.27 -0.04 0.03 -0.00 -1.38 -1.79 114.93 112.20 3iqe h MET 20 Ca 0.00 -0.02 -0.24 0.00 -0.00 0.00 0.00 59.70 59.44 3iqe h MET 20 Cb 0.44 -0.06 0.01 0.00 -0.00 0.00 0.00 31.60 31.99 3iqe h MET 20 CO 0.00 0.18 -0.94 0.38 -0.00 0.00 0.00 176.91 176.53 3iqe h ASP 21 N 0.28 0.79 0.69 -0.10 2.03 -1.85 -3.16 116.42 115.10 3iqe h ASP 21 Ca 0.47 -0.60 -0.06 0.00 -0.73 0.00 0.00 57.03 56.11 3iqe h ASP 21 Cb 0.84 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 3iqe h ASP 21 CO -0.55 1.39 -0.27 0.24 -1.03 0.00 0.00 179.24 179.03 3iqe h MET 22 N 0.38 0.00 0.00 4.15 2.86 -1.69 -2.63 114.93 118.00 3iqe h MET 22 Ca -0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3iqe h MET 22 Cb 1.57 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.23 3iqe h MET 22 CO 0.18 0.27 -0.03 -0.07 1.06 0.00 0.00 176.91 178.32 3iqe h LEU 23 N 0.00 0.00 0.00 1.22 3.38 -1.31 -2.37 115.31 116.23 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 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3iqe h LEU 23 CO 0.03 0.03 -0.52 0.18 0.09 0.00 0.00 178.44 178.25 3iqe n LEU 24 N -3.44 0.53 -2.94 1.67 4.77 -0.99 -4.56 117.00 112.04 3iqe n LEU 24 Ca -0.02 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 3iqe n LEU 24 Cb 0.13 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 3iqe n LEU 24 CO 0.25 0.05 0.03 -0.67 -1.33 0.00 0.00 177.39 175.72 3iqe n ASP 25 N -1.72 -1.34 0.28 -1.43 2.03 -0.90 -4.97 116.55 108.50 3iqe n ASP 25 Ca 0.05 -3.19 0.18 0.00 0.52 0.00 0.00 54.79 52.35 3iqe n ASP 25 Cb 0.37 0.79 0.76 0.00 -0.72 0.00 0.00 41.12 42.33 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 3.60 0.00 -0.04 -0.67 9.09 -1.79 -1.76 114.58 123.02 3iqe h GLU 26 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.37 3iqe h GLU 26 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 3iqe h GLU 26 CO 0.35 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.95 3iqe n ARG 27 N -3.04 2.66 -1.94 1.06 1.74 -1.26 -5.00 116.66 110.87 3iqe n ARG 27 Ca 0.00 -1.78 -0.21 0.00 -0.77 0.00 0.00 57.85 55.09 3iqe n ARG 27 Cb 0.26 -1.14 -0.06 0.00 -1.02 0.00 0.00 32.46 30.51 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 -0.59 -0.45 -0.49 7.54 0.00 -0.66 -4.85 120.51 121.01 3iqe n ALA 28 Ca 0.05 0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.82 3iqe n ALA 28 Cb 0.35 -2.13 0.17 0.00 0.00 0.00 0.00 19.45 17.85 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 -1.65 3.08 -4.74 0.00 5.75 -1.26 -4.97 116.55 112.76 3iqe n ASP 29 Ca -0.23 -2.42 -0.41 0.00 -0.01 0.00 0.00 54.79 51.73 3iqe n ASP 29 Cb 0.69 -0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.75 4.60 0.00 0.11 0.52 -1.26 -4.35 118.95 116.82 3iqe s ARG 30 Ca 0.27 1.72 0.14 0.00 -0.52 0.00 0.00 55.73 57.34 3iqe s ARG 30 Cb 0.19 -3.27 0.28 0.00 0.52 0.00 0.00 34.95 32.67 3iqe s ARG 30 CO 0.10 0.09 1.17 0.39 0.02 0.00 0.00 175.30 177.08 3iqe n GLU 31 N 2.26 2.08 -0.07 3.54 1.02 0.36 -4.49 120.64 125.34 3iqe n GLU 31 Ca 0.02 -1.86 0.02 0.00 -0.02 0.00 0.00 57.16 55.33 3iqe n GLU 31 Cb 0.46 -1.31 0.06 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.80 2.36 -3.83 1.62 3.85 -1.26 -4.80 116.55 115.29 3iqe n ASP 32 Ca 0.12 -2.05 -0.12 0.00 -0.71 0.00 0.00 54.79 52.03 3iqe n ASP 32 Cb 0.43 -0.10 -0.10 0.00 -1.35 0.00 0.00 41.12 40.00 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 -1.08 0.07 -0.05 2.12 -7.23 -1.26 -1.09 120.40 111.88 3iqe s VAL 33 Ca 0.10 -0.57 -0.03 0.00 -1.81 0.00 0.00 61.98 59.66 3iqe s VAL 33 Cb 0.06 -0.49 0.02 0.00 0.56 0.00 0.00 36.38 36.52 3iqe s VAL 33 CO 0.06 -0.31 0.11 -0.70 -0.31 0.00 0.00 175.10 173.95 3iqe s GLU 34 N -1.27 0.10 0.14 4.82 2.12 -0.99 -4.96 118.70 118.66 3iqe s GLU 34 Ca -0.13 0.21 0.06 0.00 0.36 0.00 0.00 54.97 55.47 3iqe s GLU 34 Cb -0.06 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 3iqe s GLU 34 CO 0.02 -0.07 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.47 3iqe s PHE 35 N 0.44 1.48 0.04 5.30 2.99 -1.26 -2.64 117.98 124.32 3iqe s PHE 35 Ca -0.03 -0.56 0.08 0.00 0.00 0.00 0.00 56.93 56.41 3iqe s PHE 35 Cb -0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 43.02 42.19 3iqe s PHE 35 CO -0.02 0.18 -0.22 1.03 -0.00 0.00 0.00 175.22 176.20 3iqe s ARG 36 N -2.86 1.50 -0.12 0.44 1.81 -0.56 -4.99 118.95 114.18 3iqe s ARG 36 Ca 0.12 -0.96 0.02 0.00 -1.72 0.00 0.00 55.73 53.18 3iqe s ARG 36 Cb -0.04 -1.62 0.01 0.00 -0.45 0.00 0.00 34.95 32.86 3iqe s ARG 36 CO 0.04 0.42 -0.16 0.08 -0.68 0.00 0.00 175.30 174.99 3iqe s VAL 37 N -0.77 1.61 0.09 3.52 1.01 -1.26 -0.20 120.40 124.40 3iqe s VAL 37 Ca 0.08 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.41 3iqe s VAL 37 Cb -0.09 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3iqe s VAL 37 CO 0.02 0.46 -0.14 0.68 0.00 0.00 0.00 175.10 176.12 3iqe s VAL 38 N 0.98 1.17 -0.02 2.92 -7.23 -0.06 -4.97 120.40 113.19 3iqe s VAL 38 Ca -0.06 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 3iqe s VAL 38 Cb -0.15 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.51 3iqe s VAL 38 CO -0.02 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 3iqe n GLY 39 N 0.91 -1.12 1.40 2.32 0.00 -1.26 -1.17 105.19 106.27 3iqe n GLY 39 Ca -0.18 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 0.01 2.35 -2.19 2.61 -2.24 -1.15 -4.98 114.28 108.68 3iqe n THR 40 Ca 0.00 -3.74 0.00 0.00 -2.27 0.00 0.00 64.05 58.04 3iqe n THR 40 Cb 0.00 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 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 -0.88 0.00 0.16 3.42 2.88 -1.26 -2.83 113.62 115.11 3iqe n SER 41 Ca 0.32 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.99 3iqe n SER 41 Cb 0.85 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.80 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 -3.42 2.46 -1.51 -1.91 0.76 116.25 112.63 3iqe h VAL 42 Ca 0.00 -0.39 -0.54 0.00 -1.23 0.00 0.00 66.70 64.54 3iqe h VAL 42 Cb 0.00 1.24 -0.04 0.00 -2.13 0.00 0.00 31.29 30.37 3iqe h VAL 42 CO 0.00 0.00 0.21 -0.54 -1.23 0.00 0.00 177.57 176.01 3iqe s LYS 43 N -3.34 4.52 -0.01 5.19 1.02 -1.13 -3.61 119.74 122.38 3iqe s LYS 43 Ca 0.05 1.14 0.16 0.00 0.02 0.00 0.00 55.97 57.35 3iqe s LYS 43 Cb 0.10 -3.41 0.27 0.00 -0.52 0.00 0.00 37.83 34.27 3iqe s LYS 43 CO 0.48 0.13 1.11 0.00 -0.92 0.00 0.00 175.35 176.15 3iqe n MET 44 N 3.35 0.07 -1.03 1.68 0.00 -1.26 -3.82 117.12 116.11 3iqe n MET 44 Ca 0.01 -1.69 -0.30 0.00 0.00 0.00 0.00 57.70 55.72 3iqe n MET 44 Cb 0.51 -0.25 0.16 0.00 0.00 0.00 0.00 33.22 33.64 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 -1.69 2.96 0.40 3.17 -4.77 -1.26 -3.90 116.67 111.57 3iqe s ASP 45 Ca 0.22 1.58 0.06 0.00 -3.30 0.00 0.00 52.55 51.11 3iqe s ASP 45 Cb 0.25 -2.24 0.81 0.00 -1.09 0.00 0.00 42.92 40.65 3iqe s ASP 45 CO -0.10 -2.98 2.04 -0.65 0.70 0.00 0.00 175.17 174.18 3iqe h PRO 46 N -1.78 0.61 -0.24 2.11 0.11 -1.86 -1.20 132.00 129.75 3iqe h PRO 46 Ca -0.51 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.60 3iqe h PRO 46 Cb 1.29 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3iqe h PRO 46 CO 0.52 0.40 0.02 0.93 -0.21 0.00 0.00 178.00 179.66 3iqe h GLU 47 N 0.63 0.10 -0.13 1.05 5.08 -1.96 -1.18 114.58 118.17 3iqe h GLU 47 Ca 0.18 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.34 3iqe h GLU 47 Cb -0.02 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3iqe h GLU 47 CO -0.04 0.06 -0.73 0.00 -1.00 0.00 0.00 179.01 177.30 3iqe h VAL 49 N 0.42 1.27 -1.00 0.00 2.07 -1.25 -1.30 116.25 116.46 3iqe h VAL 49 Ca -0.04 -0.91 0.17 0.00 0.82 0.00 0.00 66.70 66.74 3iqe h VAL 49 Cb 1.33 1.52 -0.10 0.00 -1.52 0.00 0.00 31.29 32.52 3iqe h VAL 49 CO 0.14 0.27 0.61 -0.08 0.02 0.00 0.00 177.57 178.54 3iqe h GLU 50 N 0.06 0.81 0.00 1.57 4.81 -1.21 -0.54 114.58 120.08 3iqe h GLU 50 Ca 0.05 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3iqe h GLU 50 Cb 0.42 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3iqe h GLU 50 CO 0.01 0.54 -0.42 0.00 -0.73 0.00 0.00 179.01 178.40 3iqe h ALA 51 N 1.61 0.94 0.03 2.92 0.00 -0.90 -1.80 119.26 122.06 3iqe h ALA 51 Ca 0.55 -0.39 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 3iqe h ALA 51 Cb 0.77 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.51 3iqe h ALA 51 CO -0.35 0.53 -1.09 0.00 0.00 0.00 0.00 179.25 178.34 3iqe h ALA 52 N 1.58 0.12 -0.31 0.00 0.00 -0.09 -1.71 119.26 118.85 3iqe h ALA 52 Ca -0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 54.91 54.02 3iqe h ALA 52 Cb 0.99 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3iqe h ALA 52 CO 0.06 0.71 -0.46 0.28 0.00 0.00 0.00 179.25 179.83 3iqe h VAL 53 N 0.34 1.28 -0.50 0.00 2.07 -1.08 -1.07 116.25 117.30 3iqe h VAL 53 Ca -0.14 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.68 3iqe h VAL 53 Cb 1.75 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 3iqe h VAL 53 CO 0.21 0.54 0.11 -0.33 0.02 0.00 0.00 177.57 178.11 3iqe h GLU 54 N 0.64 0.76 -0.09 1.57 5.08 -1.32 0.34 114.58 121.57 3iqe h GLU 54 Ca 0.04 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3iqe h GLU 54 Cb 1.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3iqe h GLU 54 CO 0.10 0.70 -0.00 0.52 -1.00 0.00 0.00 179.01 179.33 3iqe h MET 55 N 0.73 0.03 -0.74 2.33 2.86 -1.04 0.04 114.93 119.14 3iqe h MET 55 Ca 0.16 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3iqe h MET 55 Cb 0.29 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 3iqe h MET 55 CO -0.00 0.02 0.46 0.00 1.06 0.00 0.00 176.91 178.45 3iqe h ALA 56 N 1.08 0.95 -0.23 6.32 0.00 -0.65 -1.97 119.26 124.75 3iqe h ALA 56 Ca 0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3iqe h ALA 56 Cb 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3iqe h ALA 56 CO -0.07 0.40 -0.33 -0.07 0.00 0.00 0.00 179.25 179.18 3iqe h LEU 57 N 1.01 0.69 -0.41 0.00 3.38 -0.14 -0.52 115.31 119.33 3iqe h LEU 57 Ca 0.27 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.81 3iqe h LEU 57 Cb -0.06 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.40 3iqe h LEU 57 CO -0.05 1.07 -0.31 -0.78 0.09 0.00 0.00 178.44 178.45 3iqe h ASP 58 N 0.34 -1.04 -0.76 -0.43 3.58 -0.93 -1.45 116.42 115.73 3iqe h ASP 58 Ca 0.02 0.19 0.01 0.00 0.42 0.00 0.00 57.03 57.68 3iqe h ASP 58 Cb 0.91 0.50 -0.04 0.00 1.72 0.00 0.00 39.33 42.42 3iqe h ASP 58 CO 0.08 -0.31 0.51 0.40 -2.88 0.00 0.00 179.24 177.03 3iqe h ILE 59 N -0.23 1.19 -0.19 2.25 2.04 -1.20 -2.34 117.51 119.02 3iqe h ILE 59 Ca 0.18 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3iqe h ILE 59 Cb 0.53 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3iqe h ILE 59 CO -0.54 0.19 0.09 0.00 0.00 0.00 0.00 178.15 177.89 3iqe h ALA 60 N 1.53 1.81 -0.80 1.87 0.00 -0.01 -1.22 119.26 122.44 3iqe h ALA 60 Ca 0.28 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.33 3iqe h ALA 60 Cb -0.10 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 17.47 3iqe h ALA 60 CO -0.06 0.16 -0.09 0.93 0.00 0.00 0.00 179.25 180.19 3iqe h GLU 61 N 0.26 0.04 0.02 0.00 4.39 -1.06 0.13 114.58 118.36 3iqe h GLU 61 Ca 0.07 -0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.40 3iqe h GLU 61 Cb 0.03 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 3iqe h GLU 61 CO -0.01 0.03 -2.26 -0.25 -1.16 0.00 0.00 179.01 175.36 3iqe n ASP 62 N -5.44 1.17 0.09 1.42 8.00 -0.95 -4.41 116.55 116.43 3iqe n ASP 62 Ca 0.14 0.05 -0.05 0.00 0.71 0.00 0.00 54.79 55.63 3iqe n ASP 62 Cb 0.47 0.05 0.02 0.00 -0.02 0.00 0.00 41.12 41.64 3iqe n ASP 62 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3iqe h PHE 63 N 0.01 0.09 -5.89 1.24 3.57 -1.03 -3.48 116.94 111.45 3iqe h PHE 63 Ca -0.50 -0.05 -0.30 0.00 3.53 0.00 0.00 57.97 60.65 3iqe h PHE 63 Cb 2.06 -0.01 0.09 0.00 2.79 0.00 0.00 35.95 40.88 3iqe h PHE 63 CO 0.02 0.86 -0.75 0.39 -2.23 0.00 0.00 178.31 176.60 3iqe n GLU 64 N -3.61 -1.54 -1.75 1.11 1.02 0.43 -4.95 120.64 111.35 3iqe n GLU 64 Ca -0.02 0.80 -0.32 0.00 -0.02 0.00 0.00 57.16 57.61 3iqe n GLU 64 Cb 0.78 -4.74 0.04 0.00 -0.02 0.00 0.00 31.44 27.50 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 -4.86 2.95 0.13 3.49 0.04 -1.26 -4.87 135.00 130.62 3iqe s PRO 65 Ca 0.34 1.18 0.07 0.00 0.04 0.00 0.00 61.00 62.63 3iqe s PRO 65 Cb -0.09 -1.98 -0.19 0.00 0.04 0.00 0.00 34.50 32.27 3iqe s PRO 65 CO 0.81 -1.11 1.29 -0.44 0.04 0.00 0.00 177.00 177.59 3iqe h ASP 66 N -0.16 0.00 -5.03 6.66 5.19 0.41 -3.48 116.42 120.01 3iqe h ASP 66 Ca -0.46 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3iqe h ASP 66 Cb 1.23 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.64 3iqe h ASP 66 CO 0.56 0.98 0.15 0.72 -3.12 0.00 0.00 179.24 178.52 3iqe s PHE 67 N -2.73 -0.33 0.02 4.55 -0.12 -1.16 -4.38 117.98 113.83 3iqe s PHE 67 Ca 0.01 0.02 0.08 0.00 -0.05 0.00 0.00 56.93 56.99 3iqe s PHE 67 Cb 0.10 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 43.00 3iqe s PHE 67 CO 0.82 -0.95 -0.23 0.42 -0.05 0.00 0.00 175.22 175.23 3iqe s ILE 68 N -3.82 1.87 -0.08 -4.49 1.01 -0.66 -2.45 121.20 112.58 3iqe s ILE 68 Ca 0.06 -1.19 0.04 0.00 0.00 0.00 0.00 60.65 59.56 3iqe s ILE 68 Cb -0.02 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 3iqe s ILE 68 CO -0.06 0.36 -0.22 -0.69 0.00 0.00 0.00 174.94 174.33 3iqe s VAL 69 N -0.71 1.86 -0.19 2.92 1.01 -0.29 -1.04 120.40 123.96 3iqe s VAL 69 Ca 0.09 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3iqe s VAL 69 Cb -0.09 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3iqe s VAL 69 CO 0.01 0.52 -0.09 -0.47 0.00 0.00 0.00 175.10 175.07 3iqe s TYR 70 N 0.22 2.90 -0.08 5.22 6.14 0.53 -0.11 117.35 132.17 3iqe s TYR 70 Ca -0.13 -0.97 0.04 0.00 0.64 0.00 0.00 57.07 56.65 3iqe s TYR 70 Cb -0.16 -2.02 0.00 0.00 0.42 0.00 0.00 41.96 40.21 3iqe s TYR 70 CO 0.06 -0.50 -0.20 0.20 0.64 0.00 0.00 175.55 175.75 3iqe s GLY 71 N 1.18 1.13 0.00 8.97 0.00 0.11 -0.91 107.32 117.80 3iqe s GLY 71 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.96 3iqe s GLY 71 CO -0.03 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.48 3iqe n GLY 72 N 3.55 -0.82 3.75 0.20 0.00 -1.00 -2.67 105.19 108.20 3iqe n GLY 72 Ca -0.20 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 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 2.48 -0.37 1.61 0.02 -1.26 -4.27 135.00 131.21 3iqe s PRO 73 Ca 0.00 1.44 -0.33 0.00 0.02 0.00 0.00 61.00 62.14 3iqe s PRO 73 Cb 0.00 -1.91 0.05 0.00 0.02 0.00 0.00 34.50 32.66 3iqe s PRO 73 CO 0.00 -1.51 0.55 -1.71 -0.33 0.00 0.00 177.00 174.00 3iqe n ASN 74 N -2.75 -4.80 0.24 2.53 2.85 -1.26 -4.83 115.26 107.24 3iqe n ASN 74 Ca 0.11 -0.12 0.15 0.00 -0.11 0.00 0.00 54.58 54.61 3iqe n ASN 74 Cb 0.52 -1.38 0.67 0.00 1.24 0.00 0.00 39.78 40.83 3iqe n ASN 74 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iqe h PRO 75 N 1.91 0.00 -0.01 1.20 0.11 -1.88 -0.18 132.00 133.14 3iqe h PRO 75 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3iqe h PRO 75 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iqe h PRO 75 CO 0.19 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 177.91 3iqe n ALA 76 N -1.97 2.72 -1.88 -0.75 0.00 -1.26 -3.52 120.51 113.84 3iqe n ALA 76 Ca 0.02 -0.43 -0.30 0.00 0.00 0.00 0.00 53.44 52.74 3iqe n ALA 76 Cb 0.59 -1.17 0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.15 2.83 0.16 0.00 0.00 -0.08 -4.80 121.76 117.72 3iqe s ALA 77 Ca 0.34 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 3iqe s ALA 77 Cb 0.21 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 20.35 3iqe s ALA 77 CO 0.39 -1.27 1.82 -1.35 0.00 0.00 0.00 175.76 175.36 3iqe h PRO 78 N -0.75 0.60 0.95 0.00 0.11 -1.91 0.09 132.00 131.09 3iqe h PRO 78 Ca -0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3iqe h PRO 78 Cb 1.27 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3iqe h PRO 78 CO 0.64 0.40 -0.46 0.78 -0.21 0.00 0.00 178.00 179.15 3iqe h GLY 79 N 0.61 -1.33 1.17 -0.55 0.00 -1.83 -2.54 103.07 98.60 3iqe h GLY 79 Ca 0.17 0.49 0.06 0.00 0.00 0.00 0.00 47.33 48.05 3iqe h GLY 79 CO -0.04 -0.48 0.42 -2.55 0.00 0.00 0.00 176.54 173.89 3iqe h PRO 80 N -1.34 0.62 -0.59 4.80 0.11 -1.76 0.39 132.00 134.23 3iqe h PRO 80 Ca -0.13 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.97 3iqe h PRO 80 Cb 0.98 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 3iqe h PRO 80 CO 0.21 0.41 0.39 0.77 -0.21 0.00 0.00 178.00 179.57 3iqe h SER 81 N 0.64 0.60 -0.50 -2.05 0.02 -0.89 -0.03 113.55 111.33 3iqe h SER 81 Ca 0.27 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3iqe h SER 81 Cb 0.25 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3iqe h SER 81 CO -0.08 0.41 0.07 0.50 -1.14 0.00 0.00 176.83 176.59 3iqe h LYS 82 N 0.70 0.84 -0.78 3.45 1.63 -0.50 -2.17 116.57 119.74 3iqe h LYS 82 Ca 0.24 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 3iqe h LYS 82 Cb 0.08 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3iqe h LYS 82 CO -0.06 0.84 0.30 0.00 -3.45 0.00 0.00 179.45 177.08 3iqe h ALA 83 N 0.97 1.05 -0.52 5.00 0.00 -0.79 -1.60 119.26 123.37 3iqe h ALA 83 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3iqe h ALA 83 Cb 0.42 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3iqe h ALA 83 CO 0.01 0.66 0.16 0.00 0.00 0.00 0.00 179.25 180.09 3iqe h ARG 84 N 1.14 0.81 -0.59 0.00 3.08 -0.88 -1.06 114.38 116.88 3iqe h ARG 84 Ca 0.26 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3iqe h ARG 84 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3iqe h ARG 84 CO -0.02 0.75 0.18 0.93 -1.07 0.00 0.00 179.97 180.74 3iqe h GLU 85 N 0.72 0.93 -0.17 0.04 5.08 -1.02 -1.09 114.58 119.06 3iqe h GLU 85 Ca 0.17 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3iqe h GLU 85 Cb 0.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3iqe h GLU 85 CO -0.00 0.83 -0.02 0.52 -1.00 0.00 0.00 179.01 179.34 3iqe h MET 86 N 0.84 0.32 -0.34 2.33 2.86 -1.21 -2.63 114.93 117.10 3iqe h MET 86 Ca 0.19 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.58 3iqe h MET 86 Cb 0.30 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3iqe h MET 86 CO -0.00 0.56 -0.34 -0.07 1.06 0.00 0.00 176.91 178.12 3iqe h LEU 87 N 0.04 0.80 -0.71 1.22 3.38 -1.10 -2.72 115.31 116.22 3iqe h LEU 87 Ca 0.05 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3iqe h LEU 87 Cb 0.43 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3iqe h LEU 87 CO 0.01 1.06 0.22 0.00 0.09 0.00 0.00 178.44 179.83 3iqe h ALA 88 N 0.98 0.93 0.00 1.53 0.00 -1.21 -1.36 119.26 120.12 3iqe h ALA 88 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3iqe h ALA 88 Cb 0.88 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3iqe h ALA 88 CO 0.08 0.60 0.00 -3.47 0.00 0.00 0.00 179.25 176.46 3iqe n ASP 89 N -4.30 0.00 -4.91 0.00 2.03 -0.99 -4.86 116.55 103.52 3iqe n ASP 89 Ca 0.05 0.50 -0.27 0.00 0.52 0.00 0.00 54.79 55.59 3iqe n ASP 89 Cb 0.22 -0.50 0.04 0.00 -0.72 0.00 0.00 41.12 40.16 3iqe n ASP 89 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3iqe s SER 90 N -3.01 5.48 0.00 1.67 1.04 -0.51 -4.95 113.70 113.41 3iqe s SER 90 Ca 0.09 0.77 0.21 0.00 0.48 0.00 0.00 55.95 57.51 3iqe s SER 90 Cb 0.13 -1.69 0.96 0.00 0.10 0.00 0.00 66.02 65.52 3iqe s SER 90 CO 0.36 -1.18 1.69 -1.84 0.98 0.00 0.00 173.24 173.24 3iqe n GLU 91 N -2.71 0.10 -3.56 4.02 0.28 -1.26 -4.81 120.64 112.70 3iqe n GLU 91 Ca 0.05 0.12 -0.36 0.00 -0.16 0.00 0.00 57.16 56.81 3iqe n GLU 91 Cb 0.58 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.88 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 3.46 0.40 -1.84 2.02 -1.26 -5.05 117.35 112.20 3iqe s TYR 92 Ca 0.13 0.56 -0.26 0.00 -0.37 0.00 0.00 57.07 57.14 3iqe s TYR 92 Cb 0.14 -2.32 -0.11 0.00 -0.40 0.00 0.00 41.96 39.28 3iqe s TYR 92 CO 0.37 0.25 1.19 -2.30 -1.57 0.00 0.00 175.55 173.49 3iqe n PRO 93 N 3.54 1.76 -4.07 -1.71 -0.02 -1.26 -4.82 135.00 128.42 3iqe n PRO 93 Ca -0.12 0.63 -0.14 0.00 -2.02 0.00 0.00 63.50 61.84 3iqe n PRO 93 Cb 0.52 -2.25 -0.13 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.19 0.38 -0.04 3.55 0.00 -1.26 -1.65 121.76 121.55 3iqe s ALA 94 Ca 0.61 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.25 3iqe s ALA 94 Cb -0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3iqe s ALA 94 CO 0.58 0.03 -0.22 0.08 0.00 0.00 0.00 175.76 176.24 3iqe s VAL 95 N -0.57 1.75 -0.24 0.00 1.01 -0.20 -1.32 120.40 120.83 3iqe s VAL 95 Ca -0.03 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 3iqe s VAL 95 Cb -0.05 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3iqe s VAL 95 CO -0.00 0.49 0.08 -0.63 0.00 0.00 0.00 175.10 175.04 3iqe s ILE 96 N -0.20 4.47 -0.18 2.22 -1.09 0.43 -0.35 121.20 126.50 3iqe s ILE 96 Ca -0.00 -0.12 -0.06 0.00 -2.23 0.00 0.00 60.65 58.24 3iqe s ILE 96 Cb -0.11 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 3iqe s ILE 96 CO 0.02 0.35 0.02 -0.63 -1.23 0.00 0.00 174.94 173.47 3iqe s ILE 97 N 1.40 4.30 0.00 2.92 -1.09 -0.09 -0.56 121.20 128.08 3iqe s ILE 97 Ca 0.05 -0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 3iqe s ILE 97 Cb -0.15 -2.93 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 3iqe s ILE 97 CO 0.04 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 3iqe n GLY 98 N 3.81 2.64 0.00 6.18 0.00 -0.54 -2.39 105.19 114.89 3iqe n GLY 98 Ca -0.17 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.82 1.75 -0.28 1.61 3.85 -1.26 -0.31 116.55 121.09 3iqe n ASP 99 Ca 0.00 -0.53 -0.01 0.00 -0.71 0.00 0.00 54.79 53.54 3iqe n ASP 99 Cb 0.00 0.00 0.12 0.00 -1.35 0.00 0.00 41.12 39.89 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 0.85 1.06 -0.54 2.12 0.00 -1.80 -1.04 119.26 119.90 3iqe h ALA 100 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.06 3iqe h ALA 100 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3iqe h ALA 100 CO 0.00 0.22 0.46 -1.35 0.00 0.00 0.00 179.25 178.57 3iqe h PRO 101 N 0.89 0.00 -0.06 0.00 0.11 -1.96 0.43 132.00 131.41 3iqe h PRO 101 Ca 0.34 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.46 3iqe h PRO 101 Cb 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 3iqe h PRO 101 CO -0.16 0.00 0.25 0.78 -0.21 0.00 0.00 178.00 178.66 3iqe h GLY 102 N 0.00 0.00 1.81 -0.55 0.00 -1.54 -2.49 103.07 100.30 3iqe h GLY 102 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.61 3iqe h GLY 102 CO -0.00 0.00 0.08 1.41 0.00 0.00 0.00 176.54 178.03 3iqe h LEU 103 N 0.00 0.05 -2.60 3.11 3.38 -1.07 -1.99 115.31 116.19 3iqe h LEU 103 Ca 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3iqe h LEU 103 Cb 0.52 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3iqe h LEU 103 CO -0.00 0.04 -0.01 0.11 0.09 0.00 0.00 178.44 178.66 3iqe h LYS 104 N 0.06 0.00 -0.02 1.13 1.57 -1.66 -2.56 116.57 115.09 3iqe h LYS 104 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3iqe h LYS 104 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3iqe h LYS 104 CO -0.01 0.01 0.00 1.33 -0.57 0.00 0.00 179.45 180.22 3iqe n VAL 105 N -3.29 1.15 -0.21 0.50 0.24 -0.78 -4.75 118.33 111.18 3iqe n VAL 105 Ca -0.02 -1.20 0.02 0.00 -2.04 0.00 0.00 64.34 61.09 3iqe n VAL 105 Cb 0.12 0.38 0.11 0.00 -1.47 0.00 0.00 33.84 32.98 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 0.14 0.13 -0.32 7.34 3.64 -1.11 0.13 116.57 126.52 3iqe h LYS 106 Ca 0.00 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 3iqe h LYS 106 Cb 0.60 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3iqe h LYS 106 CO 0.00 0.08 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.50 3iqe h ASP 107 N 0.13 0.73 -0.72 4.20 5.19 -1.85 -2.37 116.42 121.72 3iqe h ASP 107 Ca 0.34 -0.30 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 3iqe h ASP 107 Cb 0.55 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.83 3iqe h ASP 107 CO -0.54 1.00 0.20 -0.08 -3.12 0.00 0.00 179.24 176.71 3iqe h GLU 108 N 0.59 1.15 -0.49 3.56 4.81 -1.59 -2.09 114.58 120.52 3iqe h GLU 108 Ca 0.06 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 3iqe h GLU 108 Cb 0.84 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3iqe h GLU 108 CO 0.07 0.99 0.02 0.52 -0.73 0.00 0.00 179.01 179.88 3iqe h MET 109 N 1.09 0.80 -0.63 1.92 2.86 -0.45 0.12 114.93 120.65 3iqe h MET 109 Ca 0.23 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3iqe h MET 109 Cb 0.34 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3iqe h MET 109 CO -0.00 0.80 0.11 0.93 1.06 0.00 0.00 176.91 179.80 3iqe h GLU 110 N 0.75 1.03 0.00 1.72 5.08 -1.15 -1.21 114.58 120.81 3iqe h GLU 110 Ca 0.15 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3iqe h GLU 110 Cb 0.43 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3iqe h GLU 110 CO 0.02 0.95 -0.17 1.49 -1.00 0.00 0.00 179.01 180.30 3iqe h GLU 111 N 0.94 0.00 0.00 2.33 4.81 -0.91 -1.93 114.58 119.82 3iqe h GLU 111 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3iqe h GLU 111 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3iqe h GLU 111 CO 0.01 0.17 0.00 1.04 -0.73 0.00 0.00 179.01 179.50 3iqe n GLN 112 N -3.39 0.16 -1.56 1.92 6.02 -0.01 -4.92 117.38 115.61 3iqe n GLN 112 Ca -0.00 0.14 -0.03 0.00 -0.01 0.00 0.00 57.00 57.09 3iqe n GLN 112 Cb 0.37 -1.69 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 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 1.38 0.44 3.90 1.08 0.00 -0.72 -4.77 105.19 106.50 3iqe n GLY 113 Ca 0.06 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.87 4.29 0.53 0.99 1.43 -0.52 -4.74 118.68 119.79 3iqe s LEU 114 Ca 0.00 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 53.50 3iqe s LEU 114 Cb 0.00 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 3iqe s LEU 114 CO 0.00 0.08 0.92 -0.83 0.23 0.00 0.00 176.35 176.75 3iqe s GLY 115 N -2.46 1.71 0.06 -3.19 0.00 -0.43 -4.44 107.32 98.57 3iqe s GLY 115 Ca 0.39 -0.18 -0.05 0.00 0.00 0.00 0.00 44.72 44.88 3iqe s GLY 115 CO 0.26 0.05 0.10 -2.52 0.00 0.00 0.00 173.10 170.98 3iqe s TYR 116 N -2.86 0.27 -0.20 1.90 1.13 0.01 -0.43 117.35 117.16 3iqe s TYR 116 Ca 0.53 -0.68 -0.04 0.00 -1.41 0.00 0.00 57.07 55.47 3iqe s TYR 116 Cb -0.11 -0.18 0.07 0.00 -1.10 0.00 0.00 41.96 40.65 3iqe s TYR 116 CO 0.45 -0.43 0.07 0.42 -2.51 0.00 0.00 175.55 173.55 3iqe s ILE 117 N -3.41 0.24 -0.25 -3.49 1.01 0.27 -1.50 121.20 114.07 3iqe s ILE 117 Ca 0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 3iqe s ILE 117 Cb 0.03 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3iqe s ILE 117 CO -0.08 -0.33 0.11 -0.76 0.00 0.00 0.00 174.94 173.87 3iqe s LEU 118 N 1.98 3.70 -0.55 2.97 1.43 0.90 -1.46 118.68 127.65 3iqe s LEU 118 Ca 0.02 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 3iqe s LEU 118 Cb -0.17 -2.00 0.14 0.00 0.03 0.00 0.00 46.19 44.20 3iqe s LEU 118 CO -0.13 -0.01 0.44 -0.69 0.23 0.00 0.00 176.35 176.19 3iqe s VAL 119 N 1.48 4.46 0.33 -1.59 1.01 0.58 0.31 120.40 126.98 3iqe s VAL 119 Ca 0.06 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.05 3iqe s VAL 119 Cb -0.15 -3.90 0.26 0.00 0.00 0.00 0.00 36.38 32.59 3iqe s VAL 119 CO 0.06 -0.84 1.99 0.11 0.00 0.00 0.00 175.10 176.42 3iqe h LYS 120 N 8.23 0.92 0.00 2.72 1.57 -1.48 -0.64 116.57 127.89 3iqe h LYS 120 Ca -0.15 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3iqe h LYS 120 Cb 1.06 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3iqe h LYS 120 CO 0.85 0.62 0.00 -2.30 -0.57 0.00 0.00 179.45 178.05 3iqe n PRO 121 N -4.42 0.41 -2.26 3.15 -0.02 -1.26 -4.41 135.00 126.19 3iqe n PRO 121 Ca 0.07 0.06 -0.43 0.00 -2.02 0.00 0.00 63.50 61.19 3iqe n PRO 121 Cb 0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.21 4.54 -4.82 2.55 -0.08 -0.25 -4.44 116.55 112.84 3iqe n ASP 122 Ca 0.12 -2.90 -0.34 0.00 -1.51 0.00 0.00 54.79 50.16 3iqe n ASP 122 Cb 0.14 -1.70 -0.06 0.00 2.34 0.00 0.00 41.12 41.84 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 3.64 3.25 0.28 -1.67 0.00 -1.26 -4.75 121.76 121.24 3iqe s ALA 123 Ca 0.51 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 3iqe s ALA 123 Cb 0.08 -2.94 -0.10 0.00 0.00 0.00 0.00 23.12 20.16 3iqe s ALA 123 CO 0.01 0.25 1.35 1.41 0.00 0.00 0.00 175.76 178.78 3iqe s MET 124 N -2.67 4.33 0.87 0.00 1.75 -1.26 -4.91 119.30 117.42 3iqe s MET 124 Ca 0.53 2.21 -0.10 0.00 -1.25 0.00 0.00 55.69 57.08 3iqe s MET 124 Cb -0.13 -3.11 0.17 0.00 2.84 0.00 0.00 34.83 34.61 3iqe s MET 124 CO 0.18 -0.27 1.20 -0.48 -0.65 0.00 0.00 175.02 175.00 3iqe s LEU 125 N -1.00 2.81 -1.22 4.11 0.05 -1.26 -4.53 118.68 117.65 3iqe s LEU 125 Ca 0.54 0.01 -0.14 0.00 0.05 0.00 0.00 54.13 54.60 3iqe s LEU 125 Cb -0.40 -2.16 0.17 0.00 -2.05 0.00 0.00 46.19 41.75 3iqe s LEU 125 CO 0.47 -2.41 1.45 0.61 -0.55 0.00 0.00 176.35 175.92 3iqe n GLY 126 N -3.42 3.40 3.13 -3.48 0.00 -1.26 -4.86 105.19 98.70 3iqe n GLY 126 Ca 0.15 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 5.62 4.66 -2.69 4.61 0.00 -1.26 -4.32 120.51 127.14 3iqe n ALA 127 Ca 0.37 -4.08 -0.26 0.00 0.00 0.00 0.00 53.44 49.47 3iqe n ALA 127 Cb 0.43 -3.29 -0.16 0.00 0.00 0.00 0.00 19.45 16.42 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 2.29 1.74 0.41 0.00 1.81 -1.26 -4.95 118.95 118.98 3iqe s ARG 128 Ca 0.46 -0.67 0.08 0.00 -1.72 0.00 0.00 55.73 53.88 3iqe s ARG 128 Cb 0.07 -1.58 0.87 0.00 -0.45 0.00 0.00 34.95 33.87 3iqe s ARG 128 CO -0.00 0.33 2.05 -0.09 -0.68 0.00 0.00 175.30 176.91 3iqe h ARG 129 N 5.97 0.53 0.00 3.54 2.43 -1.90 0.20 114.38 125.14 3iqe h ARG 129 Ca -0.35 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3iqe h ARG 129 Cb 1.16 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3iqe h ARG 129 CO 0.48 0.35 0.00 0.39 -1.51 0.00 0.00 179.97 179.68 3iqe n GLU 130 N -4.48 0.18 0.00 0.20 4.71 -1.26 -3.95 120.64 116.05 3iqe n GLU 130 Ca 0.04 0.50 0.00 0.00 -0.01 0.00 0.00 57.16 57.69 3iqe n GLU 130 Cb 0.08 -1.90 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 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 -2.25 -0.05 -2.93 -0.32 7.35 -0.13 -5.00 117.46 114.13 3iqe n PHE 131 Ca 0.01 0.01 -0.43 0.00 -0.76 0.00 0.00 57.45 56.27 3iqe n PHE 131 Cb 0.16 0.15 -0.04 0.00 0.35 0.00 0.00 39.48 40.09 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 -5.79 4.65 0.00 -2.13 2.96 0.53 -4.89 118.68 114.02 3iqe s LEU 132 Ca 0.00 -1.07 0.05 0.00 -0.22 0.00 0.00 54.13 52.90 3iqe s LEU 132 Cb 0.00 -2.41 0.05 0.00 0.50 0.00 0.00 46.19 44.33 3iqe s LEU 132 CO 0.00 -1.32 0.45 -0.90 -1.32 0.00 0.00 176.35 173.25 3iqe n ASP 133 N 7.28 1.43 -0.10 3.68 5.75 -1.26 -4.72 116.55 128.61 3iqe n ASP 133 Ca -0.05 -1.98 -0.04 0.00 -0.01 0.00 0.00 54.79 52.71 3iqe n ASP 133 Cb 0.45 -0.22 0.16 0.00 -1.03 0.00 0.00 41.12 40.48 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 0.77 -0.31 0.11 0.11 -1.98 0.74 132.00 131.43 3iqe h PRO 134 Ca -0.17 -0.21 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 3iqe h PRO 134 Cb 0.77 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3iqe h PRO 134 CO 0.25 0.79 -0.04 0.28 -0.21 0.00 0.00 178.00 179.08 3iqe h VAL 135 N 0.71 1.27 -0.38 3.15 2.07 -1.99 -1.28 116.25 119.81 3iqe h VAL 135 Ca 0.14 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3iqe h VAL 135 Cb 0.48 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3iqe h VAL 135 CO 0.02 0.34 0.19 -0.08 0.02 0.00 0.00 177.57 178.07 3iqe h GLU 136 N 0.36 0.53 -0.78 1.57 4.57 -1.83 0.11 114.58 119.10 3iqe h GLU 136 Ca 0.08 -0.07 0.15 0.00 -1.18 0.00 0.00 59.36 58.35 3iqe h GLU 136 Cb 0.51 -0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 28.90 3iqe h GLU 136 CO 0.02 0.45 0.32 1.98 -1.18 0.00 0.00 179.01 180.61 3iqe h MET 137 N 0.47 0.44 -0.15 1.92 4.05 -0.70 -0.67 114.93 120.29 3iqe h MET 137 Ca 0.13 -0.03 -0.22 0.00 -0.28 0.00 0.00 59.70 59.30 3iqe h MET 137 Cb 0.08 -0.10 0.01 0.00 -0.80 0.00 0.00 31.60 30.80 3iqe h MET 137 CO -0.02 0.29 -0.78 0.00 0.23 0.00 0.00 176.91 176.63 3iqe h ALA 138 N 1.57 0.31 -0.66 0.39 0.00 -0.58 -2.61 119.26 117.68 3iqe h ALA 138 Ca 0.44 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3iqe h ALA 138 Cb 0.69 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3iqe h ALA 138 CO -0.42 0.69 0.38 0.82 0.00 0.00 0.00 179.25 180.71 3iqe h ILE 139 N 0.54 1.00 -0.56 0.00 2.04 -0.48 0.11 117.51 120.17 3iqe h ILE 139 Ca -0.05 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.59 3iqe h ILE 139 Cb 1.41 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3iqe h ILE 139 CO 0.16 0.13 0.34 0.22 0.00 0.00 0.00 178.15 179.00 3iqe h TYR 140 N 0.71 0.63 -0.22 1.37 3.20 -1.05 -1.60 116.97 120.00 3iqe h TYR 140 Ca 0.29 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.08 3iqe h TYR 140 Cb 0.14 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3iqe h TYR 140 CO -0.07 0.36 -0.29 -0.91 -1.64 0.00 0.00 178.16 175.61 3iqe h ASN 141 N 0.67 0.45 -0.27 -2.11 2.35 -0.97 0.29 115.58 115.98 3iqe h ASN 141 Ca 0.23 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3iqe h ASN 141 Cb 0.03 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3iqe h ASN 141 CO -0.10 0.72 0.16 0.00 -1.65 0.00 0.00 177.43 176.56 3iqe h ALA 142 N 1.31 0.33 -0.04 -0.83 0.00 -0.12 0.67 119.26 120.58 3iqe h ALA 142 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iqe h ALA 142 Cb 0.70 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iqe h ALA 142 CO 0.05 -0.22 -0.00 -0.44 0.00 0.00 0.00 179.25 178.64 3iqe h ASP 143 N 0.33 0.08 -0.67 0.00 3.32 -0.83 -1.81 116.42 116.84 3iqe h ASP 143 Ca 0.10 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3iqe h ASP 143 Cb -0.01 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3iqe h ASP 143 CO -0.04 0.38 0.44 0.25 -1.72 0.00 0.00 179.24 178.54 3iqe h LEU 144 N -0.23 0.77 -0.49 1.55 5.85 -0.89 -1.57 115.31 120.30 3iqe h LEU 144 Ca 0.01 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3iqe h LEU 144 Cb 0.34 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3iqe h LEU 144 CO 0.00 0.57 0.16 -0.03 -0.34 0.00 0.00 178.44 178.80 3iqe h MET 145 N 0.91 0.76 -0.66 1.25 4.05 -0.75 0.03 114.93 120.52 3iqe h MET 145 Ca 0.24 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 3iqe h MET 145 Cb -0.09 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.56 3iqe h MET 145 CO -0.05 0.71 0.35 -0.22 0.23 0.00 0.00 176.91 177.93 3iqe h LYS 146 N 0.66 0.91 0.13 0.39 1.63 -0.92 -1.17 116.57 118.21 3iqe h LYS 146 Ca 0.16 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3iqe h LYS 146 Cb 0.26 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3iqe h LYS 146 CO -0.01 0.68 -0.06 0.28 -3.45 0.00 0.00 179.45 176.89 3iqe h VAL 147 N 0.92 1.03 -0.46 2.00 2.07 -0.86 -0.93 116.25 120.03 3iqe h VAL 147 Ca 0.23 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3iqe h VAL 147 Cb 0.04 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3iqe h VAL 147 CO -0.04 0.18 0.23 -0.07 0.02 0.00 0.00 177.57 177.89 3iqe h LEU 148 N -0.54 0.57 0.28 2.57 3.38 -0.83 -1.90 115.31 118.84 3iqe h LEU 148 Ca -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3iqe h LEU 148 Cb 0.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3iqe h LEU 148 CO 0.03 0.48 -0.14 0.00 0.09 0.00 0.00 178.44 178.91 3iqe h ALA 149 N 1.61 -0.38 0.00 1.53 0.00 -1.22 -0.83 119.26 119.96 3iqe h ALA 149 Ca 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3iqe h ALA 149 Cb 0.06 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3iqe h ALA 149 CO -0.02 -0.35 -0.12 0.00 0.00 0.00 0.00 179.25 178.75 3iqe h ALA 150 N -1.07 1.02 0.00 0.00 0.00 -1.16 -2.23 119.26 115.83 3iqe h ALA 150 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3iqe h ALA 150 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3iqe h ALA 150 CO 0.06 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.71 3iqe n THR 151 N -3.27 0.32 -0.16 0.00 -2.24 -0.72 -4.76 114.28 103.46 3iqe n THR 151 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3iqe n THR 151 Cb 0.37 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 1.23 0.64 0.14 3.38 0.00 -0.84 -4.99 105.19 104.76 3iqe n GLY 152 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 1.14 -0.77 1.61 2.07 -1.59 -0.86 116.25 117.85 3iqe h VAL 153 Ca 0.00 -0.37 0.14 0.00 0.82 0.00 0.00 66.70 67.29 3iqe h VAL 153 Cb 0.00 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3iqe h VAL 153 CO 0.00 0.14 0.51 -0.26 0.02 0.00 0.00 177.57 177.98 3iqe h PHE 154 N 0.33 0.53 -0.42 1.57 0.05 -1.45 -1.50 116.94 116.06 3iqe h PHE 154 Ca 0.10 0.02 -0.11 0.00 3.82 0.00 0.00 57.97 61.79 3iqe h PHE 154 Cb 0.09 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 37.85 3iqe h PHE 154 CO -0.03 0.20 -0.19 -0.09 -0.18 0.00 0.00 178.31 178.03 3iqe h ARG 155 N 0.46 0.82 -0.58 1.51 2.43 -1.47 0.32 114.38 117.86 3iqe h ARG 155 Ca 0.38 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 3iqe h ARG 155 Cb 0.81 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3iqe h ARG 155 CO -0.13 0.94 0.07 0.28 -1.51 0.00 0.00 179.97 179.62 3iqe h VAL 156 N 0.72 1.25 -0.14 0.20 2.07 -0.36 -0.95 116.25 119.04 3iqe h VAL 156 Ca 0.10 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 3iqe h VAL 156 Cb 0.71 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3iqe h VAL 156 CO 0.05 0.37 -0.07 0.58 0.02 0.00 0.00 177.57 178.52 3iqe h VAL 157 N 0.90 1.31 -0.99 2.57 2.07 -1.09 -2.44 116.25 118.59 3iqe h VAL 157 Ca 0.18 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.62 3iqe h VAL 157 Cb 0.43 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 3iqe h VAL 157 CO 0.01 0.32 0.65 -0.61 0.02 0.00 0.00 177.57 177.97 3iqe h GLN 158 N -0.03 1.23 -0.28 1.57 -0.00 -0.81 -1.70 115.11 115.08 3iqe h GLN 158 Ca 0.03 -0.07 -0.12 0.00 -0.00 0.00 0.00 58.65 58.49 3iqe h GLN 158 Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 27.48 27.73 3iqe h GLN 158 CO 0.02 0.81 -0.33 0.93 0.00 0.00 0.00 178.83 180.27 3iqe h GLU 159 N 1.27 0.59 -0.43 1.69 5.08 -1.16 -0.29 114.58 121.32 3iqe h GLU 159 Ca 0.39 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3iqe h GLU 159 Cb -0.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3iqe h GLU 159 CO -0.12 0.84 0.20 0.00 -1.00 0.00 0.00 179.01 178.93 3iqe h ALA 160 N 1.14 0.55 -0.09 3.43 0.00 -0.89 -1.27 119.26 122.14 3iqe h ALA 160 Ca 0.06 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3iqe h ALA 160 Cb 0.81 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3iqe h ALA 160 CO 0.07 0.13 -0.83 0.74 0.00 0.00 0.00 179.25 179.35 3iqe h PHE 161 N 0.55 0.85 -0.99 0.00 0.05 -1.24 -2.60 116.94 113.55 3iqe h PHE 161 Ca 0.15 -0.40 0.10 0.00 3.82 0.00 0.00 57.97 61.63 3iqe h PHE 161 Cb 0.14 -0.12 -0.08 0.00 2.00 0.00 0.00 35.95 37.89 3iqe h PHE 161 CO -0.01 1.21 0.63 -0.44 -0.18 0.00 0.00 178.31 179.52 3iqe h ASP 162 N 0.40 0.96 -0.59 2.17 3.45 -0.95 0.39 116.42 122.24 3iqe h ASP 162 Ca -0.06 0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.36 3iqe h ASP 162 Cb 1.45 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 40.03 3iqe h ASP 162 CO 0.16 0.55 0.12 -0.33 -1.57 0.00 0.00 179.24 178.17 3iqe h GLU 163 N 1.05 1.00 -0.15 3.56 5.08 -1.06 -1.10 114.58 122.96 3iqe h GLU 163 Ca 0.47 -0.24 -0.21 0.00 -1.00 0.00 0.00 59.36 58.38 3iqe h GLU 163 Cb 0.36 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.48 3iqe h GLU 163 CO -0.23 0.91 -0.74 1.25 -1.00 0.00 0.00 179.01 179.20 3iqe h LEU 164 N 0.95 0.84 -0.89 1.33 5.85 -0.90 -2.17 115.31 120.31 3iqe h LEU 164 Ca 0.20 -0.53 0.01 0.00 0.84 0.00 0.00 57.88 58.39 3iqe h LEU 164 Cb 0.38 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3iqe h LEU 164 CO 0.01 1.32 0.59 0.40 -0.34 0.00 0.00 178.44 180.41 3iqe h ILE 165 N 0.49 1.22 -0.91 4.05 2.04 -0.12 -1.66 117.51 122.62 3iqe h ILE 165 Ca -0.04 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3iqe h ILE 165 Cb 1.35 -0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3iqe h ILE 165 CO 0.15 0.22 0.60 -0.33 0.00 0.00 0.00 178.15 178.78 3iqe h GLU 166 N 1.20 1.14 -0.55 2.37 4.39 -0.72 -2.02 114.58 120.39 3iqe h GLU 166 Ca 0.33 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 3iqe h GLU 166 Cb -0.13 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.24 3iqe h GLU 166 CO -0.07 0.75 0.17 0.87 -1.16 0.00 0.00 179.01 179.57 3iqe h LYS 167 N 1.17 0.82 -0.38 2.33 1.79 -0.73 -2.82 116.57 118.75 3iqe h LYS 167 Ca 0.36 -0.15 -0.13 0.00 -2.18 0.00 0.00 60.65 58.55 3iqe h LYS 167 Cb -0.03 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 3iqe h LYS 167 CO -0.11 0.71 -0.28 0.00 -1.08 0.00 0.00 179.45 178.69 3iqe h ALA 168 N 1.39 0.78 0.00 3.86 0.00 -0.63 -2.27 119.26 122.39 3iqe h ALA 168 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3iqe h ALA 168 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iqe h ALA 168 CO -0.01 0.65 0.00 1.63 0.00 0.00 0.00 179.25 181.52 3iqe n LYS 169 N -4.09 0.58 -0.78 0.00 5.02 -0.93 -2.75 118.16 115.22 3iqe n LYS 169 Ca -0.01 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.34 3iqe n LYS 169 Cb 0.47 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.13 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 -1.00 1.08 -0.99 1.97 -0.58 -0.86 -4.93 120.64 115.33 3iqe n GLU 170 Ca 0.14 -2.80 -0.00 0.00 -0.42 0.00 0.00 57.16 54.08 3iqe n GLU 170 Cb 0.06 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 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 -0.68 -0.07 -2.78 1.62 4.64 -1.11 -4.91 116.55 113.26 3iqe n ASP 171 Ca 0.15 -0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.55 3iqe n ASP 171 Cb 0.80 -0.02 0.01 0.00 -1.04 0.00 0.00 41.12 40.88 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 -0.03 0.34 -0.99 -0.67 2.02 -1.21 -5.07 118.70 113.09 3iqe s GLU 172 Ca 0.00 -0.22 -0.18 0.00 0.02 0.00 0.00 54.97 54.60 3iqe s GLU 172 Cb -0.00 0.01 0.14 0.00 0.10 0.00 0.00 34.13 34.38 3iqe s GLU 172 CO 0.01 -0.46 1.20 0.42 0.02 0.00 0.00 175.26 176.45 3iqe s ILE 173 N 1.52 4.77 0.49 -1.63 1.01 -1.26 -4.73 121.20 121.37 3iqe s ILE 173 Ca 0.19 -1.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.02 3iqe s ILE 173 Cb 0.05 -4.81 -0.03 0.00 0.01 0.00 0.00 42.46 37.68 3iqe s ILE 173 CO -0.12 -1.54 0.79 -0.94 0.00 0.00 0.00 174.94 173.13 3iqe s SER 174 N 3.51 6.11 0.55 3.58 1.04 -1.26 -4.94 113.70 122.29 3iqe s SER 174 Ca 0.35 0.82 0.23 0.00 0.48 0.00 0.00 55.95 57.83 3iqe s SER 174 Cb -0.04 -2.09 1.48 0.00 0.10 0.00 0.00 66.02 65.47 3iqe s SER 174 CO -0.08 -0.66 2.13 -0.08 0.98 0.00 0.00 173.24 175.53 3iqe h GLU 175 N 0.19 0.00 -0.00 4.02 4.57 -1.95 -1.54 114.58 119.87 3iqe h GLU 175 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3iqe h GLU 175 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3iqe h GLU 175 CO 0.61 0.00 -0.03 0.09 -1.18 0.00 0.00 179.01 178.50 3iqe n ASN 176 N -4.22 0.18 -0.43 1.04 3.02 -1.26 -2.72 115.26 110.87 3iqe n ASN 176 Ca 0.01 -0.54 0.10 0.00 -0.03 0.00 0.00 54.58 54.12 3iqe n ASN 176 Cb 0.24 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 3iqe n ASN 176 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3iqe n ASP 177 N -1.07 1.84 -4.75 6.41 10.43 -0.58 -4.96 116.55 123.87 3iqe n ASP 177 Ca 0.17 -1.42 -0.41 0.00 2.57 0.00 0.00 54.79 55.71 3iqe n ASP 177 Cb 0.22 0.50 -0.04 0.00 1.84 0.00 0.00 41.12 43.64 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 -2.34 4.53 0.43 0.64 1.43 -1.10 -4.84 118.68 117.43 3iqe s LEU 178 Ca 0.16 2.23 -0.24 0.00 -1.03 0.00 0.00 54.13 55.25 3iqe s LEU 178 Cb 0.16 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.66 3iqe s LEU 178 CO 0.52 -0.18 1.09 -2.65 0.23 0.00 0.00 176.35 175.36 3iqe n PRO 179 N 1.56 1.50 -3.21 1.29 -0.02 -1.26 -4.88 135.00 129.98 3iqe n PRO 179 Ca 0.00 0.54 -0.24 0.00 -2.02 0.00 0.00 63.50 61.78 3iqe n PRO 179 Cb 0.45 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 3iqe n PRO 179 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3iqe n LYS 180 N 0.06 0.93 -4.57 -0.52 5.02 -1.23 -0.81 118.16 117.05 3iqe n LYS 180 Ca 0.09 -3.39 -0.33 0.00 -2.02 0.00 0.00 58.31 52.66 3iqe n LYS 180 Cb 0.39 -1.34 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 3iqe n LYS 180 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iqe s LEU 181 N -1.37 3.11 -0.18 -0.35 1.43 -0.56 -4.98 118.68 115.78 3iqe s LEU 181 Ca 0.36 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3iqe s LEU 181 Cb 0.17 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.69 3iqe s LEU 181 CO -0.10 0.32 -0.13 -0.69 0.23 0.00 0.00 176.35 175.98 3iqe s VAL 182 N -0.90 1.67 -0.16 -1.59 1.01 -1.26 -0.07 120.40 119.10 3iqe s VAL 182 Ca 0.15 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 3iqe s VAL 182 Cb -0.11 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3iqe s VAL 182 CO 0.04 0.33 0.07 -0.63 0.00 0.00 0.00 175.10 174.91 3iqe s ILE 183 N 1.42 4.85 0.12 2.22 1.01 0.15 -4.93 121.20 126.04 3iqe s ILE 183 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 3iqe s ILE 183 Cb -0.14 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.18 3iqe s ILE 183 CO -0.10 0.50 0.21 -0.90 0.00 0.00 0.00 174.94 174.65 3iqe n ASP 184 N 3.13 -0.60 -0.35 3.58 5.68 -1.26 -1.28 116.55 125.45 3iqe n ASP 184 Ca -0.17 -1.59 0.03 0.00 -0.50 0.00 0.00 54.79 52.55 3iqe n ASP 184 Cb 0.53 1.05 0.09 0.00 -1.14 0.00 0.00 41.12 41.65 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 -0.01 0.00 0.11 2.43 -1.87 -0.10 114.38 114.94 3iqe h ARG 185 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3iqe h ARG 185 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3iqe h ARG 185 CO 0.13 -0.01 0.00 0.09 -1.51 0.00 0.00 179.97 178.68 3iqe n ASN 186 N -5.55 0.54 -0.23 -3.80 3.02 -1.26 -2.37 115.26 105.60 3iqe n ASN 186 Ca 0.13 0.62 0.23 0.00 -0.03 0.00 0.00 54.58 55.53 3iqe n ASN 186 Cb 0.45 -0.74 0.58 0.00 -0.61 0.00 0.00 39.78 39.45 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 0.62 0.00 3.41 2.02 -1.37 -1.69 112.91 115.91 3iqe h THR 187 Ca 0.00 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3iqe h THR 187 Cb 0.38 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3iqe h THR 187 CO 0.00 0.05 -0.12 -0.07 0.37 0.00 0.00 175.52 175.75 3iqe h LEU 188 N 0.28 0.00 -1.63 2.58 3.38 -1.63 -2.82 115.31 115.47 3iqe h LEU 188 Ca 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.42 3iqe h LEU 188 Cb 1.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 3iqe h LEU 188 CO -0.14 0.12 -0.12 -0.07 0.09 0.00 0.00 178.44 178.32 3iqe h LEU 189 N 0.00 0.00 -2.96 1.67 3.38 -1.51 -2.70 115.31 113.20 3iqe h LEU 189 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqe h LEU 189 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3iqe h LEU 189 CO 0.02 0.12 0.00 -1.84 0.09 0.00 0.00 178.44 176.83 3iqe n GLU 190 N -3.40 3.04 -4.63 1.13 0.28 -1.06 -4.98 120.64 111.03 3iqe n GLU 190 Ca -0.01 -2.48 -0.32 0.00 -0.16 0.00 0.00 57.16 54.19 3iqe n GLU 190 Cb 0.31 -1.55 -0.06 0.00 1.43 0.00 0.00 31.44 31.56 3iqe n GLU 190 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3iqe s ARG 191 N -1.41 2.21 -0.40 3.44 0.52 -1.02 -5.07 118.95 117.23 3iqe s ARG 191 Ca 0.38 -2.35 0.09 0.00 -0.52 0.00 0.00 55.73 53.32 3iqe s ARG 191 Cb 0.23 -1.62 0.43 0.00 0.52 0.00 0.00 34.95 34.51 3iqe s ARG 191 CO 0.21 -0.42 1.06 0.39 0.02 0.00 0.00 175.30 176.57 3iqe n GLU 192 N -1.36 2.75 -0.04 3.54 1.02 -1.26 -4.85 120.64 120.45 3iqe n GLU 192 Ca -0.17 -4.12 -0.13 0.00 -0.02 0.00 0.00 57.16 52.72 3iqe n GLU 192 Cb 0.67 -1.95 -0.08 0.00 -0.02 0.00 0.00 31.44 30.06 3iqe n GLU 192 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3iqe h GLU 193 N 2.69 0.19 -5.37 3.49 4.57 -1.97 -3.44 114.58 114.74 3iqe h GLU 193 Ca 0.18 -0.09 -0.63 0.00 -1.18 0.00 0.00 59.36 57.64 3iqe h GLU 193 Cb 1.01 -0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 29.42 3iqe h GLU 193 CO 0.74 0.59 -0.61 -0.06 -1.18 0.00 0.00 179.01 178.49 3iqe s PHE 194 N -4.43 3.16 0.16 0.92 0.08 -1.26 -4.62 117.98 111.99 3iqe s PHE 194 Ca -0.15 -0.04 0.03 0.00 0.12 0.00 0.00 56.93 56.89 3iqe s PHE 194 Cb 0.04 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 3iqe s PHE 194 CO 0.71 0.13 1.36 1.49 -0.10 0.00 0.00 175.22 178.82 3iqe h GLU 195 N 6.48 0.18 -5.28 0.44 4.22 -1.86 -3.44 114.58 115.31 3iqe h GLU 195 Ca -0.37 -0.21 -0.60 0.00 0.08 0.00 0.00 59.36 58.26 3iqe h GLU 195 Cb 1.18 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.37 3iqe h GLU 195 CO 0.66 0.96 -0.43 1.21 -2.18 0.00 0.00 179.01 179.23 3iqe s ASN 196 N -6.92 6.25 0.44 1.04 2.47 -1.26 -4.99 114.94 111.97 3iqe s ASN 196 Ca -0.03 0.28 0.21 0.00 0.42 0.00 0.00 52.86 53.75 3iqe s ASN 196 Cb 0.10 -2.13 1.03 0.00 -1.45 0.00 0.00 41.25 38.80 3iqe s ASN 196 CO 0.83 0.11 1.91 1.55 -3.72 0.00 0.00 177.10 177.77 3iqe h PRO 197 N 6.97 0.00 -0.18 0.43 0.13 -2.00 -2.42 132.00 134.92 3iqe h PRO 197 Ca -0.40 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.56 3iqe h PRO 197 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3iqe h PRO 197 CO 0.73 0.25 -0.60 1.88 -0.23 0.00 0.00 178.00 180.03 3iqe h TYR 198 N 0.00 0.77 -0.56 1.56 0.05 -1.99 -2.06 116.97 114.74 3iqe h TYR 198 Ca -0.00 -0.29 0.09 0.00 0.05 0.00 0.00 58.73 58.58 3iqe h TYR 198 Cb 0.58 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 38.11 3iqe h TYR 198 CO 0.00 1.05 0.16 0.00 -1.05 0.00 0.00 178.16 178.32 3iqe h ALA 199 N 0.88 0.68 -0.75 3.88 0.00 -1.77 0.80 119.26 122.98 3iqe h ALA 199 Ca -0.00 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iqe h ALA 199 Cb 1.16 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 3iqe h ALA 199 CO 0.11 -0.26 0.49 1.98 0.00 0.00 0.00 179.25 181.57 3iqe h MET 200 N 0.31 0.97 0.00 0.00 1.85 -1.27 -0.92 114.93 115.86 3iqe h MET 200 Ca 0.29 -0.06 -0.19 0.00 -0.61 0.00 0.00 59.70 59.13 3iqe h MET 200 Cb 0.38 -0.22 -0.03 0.00 0.43 0.00 0.00 31.60 32.17 3iqe h MET 200 CO -0.34 0.64 -0.91 -0.39 -0.40 0.00 0.00 176.91 175.51 3iqe h VAL 201 N 0.99 1.65 -0.31 -5.77 -1.51 -1.00 0.07 116.25 110.38 3iqe h VAL 201 Ca 0.28 -3.13 0.01 0.00 -1.23 0.00 0.00 66.70 62.63 3iqe h VAL 201 Cb -0.08 2.69 -0.02 0.00 -2.13 0.00 0.00 31.29 31.75 3iqe h VAL 201 CO -0.07 0.89 0.20 0.11 -1.23 0.00 0.00 177.57 177.47 3iqe h LYS 202 N 0.00 0.39 -0.62 5.19 1.57 -0.64 -1.91 116.57 120.56 3iqe h LYS 202 Ca -0.01 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3iqe h LYS 202 Cb 1.62 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.78 3iqe h LYS 202 CO 0.12 0.26 0.32 0.00 -0.57 0.00 0.00 179.45 179.57 3iqe h ALA 203 N 1.12 0.81 -0.81 3.86 0.00 -0.87 -0.44 119.26 122.94 3iqe h ALA 203 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3iqe h ALA 203 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3iqe h ALA 203 CO -0.03 -0.03 0.46 0.52 0.00 0.00 0.00 179.25 180.17 3iqe h MET 204 N 0.59 1.11 -0.40 0.00 2.86 -0.80 -1.42 114.93 116.86 3iqe h MET 204 Ca 0.28 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.77 3iqe h MET 204 Cb 0.21 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3iqe h MET 204 CO -0.20 0.80 0.10 0.00 1.06 0.00 0.00 176.91 178.68 3iqe h ALA 205 N 1.24 0.53 -0.34 6.32 0.00 -0.71 -0.66 119.26 125.65 3iqe h ALA 205 Ca 0.29 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3iqe h ALA 205 Cb -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3iqe h ALA 205 CO -0.05 0.20 -0.01 0.00 0.00 0.00 0.00 179.25 179.40 3iqe h ALA 206 N 0.95 0.30 -0.72 0.00 0.00 -0.63 -1.31 119.26 117.86 3iqe h ALA 206 Ca 0.13 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3iqe h ALA 206 Cb 0.31 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3iqe h ALA 206 CO 0.00 -0.41 0.38 -0.07 0.00 0.00 0.00 179.25 179.15 3iqe h LEU 207 N 0.09 0.89 -0.35 0.00 3.38 -1.01 -1.54 115.31 116.77 3iqe h LEU 207 Ca 0.16 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3iqe h LEU 207 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3iqe h LEU 207 CO -0.28 0.73 -0.02 -0.08 0.09 0.00 0.00 178.44 178.88 3iqe h GLU 208 N 1.00 0.63 -0.19 1.13 4.57 -0.80 0.68 114.58 121.60 3iqe h GLU 208 Ca 0.25 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3iqe h GLU 208 Cb 0.04 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3iqe h GLU 208 CO -0.04 0.76 0.10 0.82 -1.18 0.00 0.00 179.01 179.47 3iqe h ILE 209 N 0.43 1.11 -0.87 2.32 2.04 -1.12 -0.90 117.51 120.52 3iqe h ILE 209 Ca 0.10 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 65.74 3iqe h ILE 209 Cb 0.49 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 3iqe h ILE 209 CO 0.02 0.10 0.52 0.00 0.00 0.00 0.00 178.15 178.80 3iqe h ALA 210 N 0.99 1.23 -0.43 1.87 0.00 -1.18 -0.64 119.26 121.10 3iqe h ALA 210 Ca 0.07 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3iqe h ALA 210 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3iqe h ALA 210 CO -0.01 0.19 -0.01 1.49 0.00 0.00 0.00 179.25 180.91 3iqe h GLU 211 N 0.90 0.71 0.00 0.00 4.81 -0.47 -2.64 114.58 117.89 3iqe h GLU 211 Ca 0.40 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3iqe h GLU 211 Cb 0.30 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3iqe h GLU 211 CO -0.22 0.73 -0.23 -0.91 -0.73 0.00 0.00 179.01 177.65 3iqe h ASN 212 N 0.67 0.00 -0.96 1.04 2.35 -0.25 -3.04 115.58 115.39 3iqe h ASN 212 Ca 0.13 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3iqe h ASN 212 Cb 0.43 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.75 3iqe h ASN 212 CO 0.02 0.23 0.64 0.58 -1.65 0.00 0.00 177.43 177.24 3iqe h VAL 213 N 0.00 1.23 -0.78 2.81 2.07 -0.76 -2.14 116.25 118.67 3iqe h VAL 213 Ca -0.00 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.18 3iqe h VAL 213 Cb 0.90 -0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 3iqe h VAL 213 CO 0.03 0.23 0.41 0.00 0.02 0.00 0.00 177.57 178.27 3iqe h ALA 214 N 1.41 1.10 -0.36 1.67 0.00 -1.60 -0.84 119.26 120.64 3iqe h ALA 214 Ca 0.36 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 3iqe h ALA 214 Cb -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3iqe h ALA 214 CO -0.09 0.01 -0.01 -0.44 0.00 0.00 0.00 179.25 178.72 3iqe h ASP 215 N 0.69 0.53 -0.17 0.00 3.32 -1.55 -0.93 116.42 118.30 3iqe h ASP 215 Ca 0.38 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 3iqe h ASP 215 Cb 0.40 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3iqe h ASP 215 CO -0.27 0.61 -0.34 0.58 -1.72 0.00 0.00 179.24 178.09 3iqe h VAL 216 N 0.54 1.34 -0.51 -1.35 2.07 -1.05 -2.28 116.25 115.01 3iqe h VAL 216 Ca 0.11 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 3iqe h VAL 216 Cb 0.36 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3iqe h VAL 216 CO 0.01 0.48 0.32 0.28 0.02 0.00 0.00 177.57 178.68 3iqe h SER 217 N 0.19 0.61 -0.43 0.57 0.02 -1.06 -1.01 113.55 112.44 3iqe h SER 217 Ca 0.01 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3iqe h SER 217 Cb 0.94 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 3iqe h SER 217 CO 0.08 0.47 0.20 0.58 -1.14 0.00 0.00 176.83 177.02 3iqe h VAL 218 N 0.69 0.94 -0.26 2.27 2.07 -1.18 0.29 116.25 121.07 3iqe h VAL 218 Ca 0.19 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3iqe h VAL 218 Cb -0.03 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3iqe h VAL 218 CO -0.04 0.07 0.17 -0.08 0.02 0.00 0.00 177.57 177.72 3iqe h GLU 219 N 0.40 0.34 0.00 1.57 4.81 -1.06 -0.25 114.58 120.38 3iqe h GLU 219 Ca 0.19 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3iqe h GLU 219 Cb 0.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3iqe h GLU 219 CO -0.15 0.22 -0.34 0.78 -0.73 0.00 0.00 179.01 178.79 3iqe h GLY 220 N 0.35 0.00 0.45 1.92 0.00 -0.57 0.29 103.07 105.50 3iqe h GLY 220 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.09 3iqe h GLY 220 CO -0.03 0.00 -2.09 0.00 0.00 0.00 0.00 176.54 174.42 3iqe n PHE 222 N -2.99 0.00 -0.04 0.00 3.72 -0.13 -4.90 117.46 113.12 3iqe n PHE 222 Ca -0.28 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.07 3iqe n PHE 222 Cb 1.09 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.61 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 -0.45 1.24 -2.31 -4.37 0.31 -0.80 -4.97 118.33 106.98 3iqe n VAL 223 Ca 0.00 0.24 -0.42 0.00 -0.01 0.00 0.00 64.34 64.14 3iqe n VAL 223 Cb 0.01 -2.03 -0.03 0.00 -0.91 0.00 0.00 33.84 30.88 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 -2.44 4.34 0.00 5.55 2.56 0.02 -4.93 118.70 123.80 3iqe s GLU 224 Ca -0.18 1.87 0.13 0.00 0.00 0.00 0.00 54.97 56.79 3iqe s GLU 224 Cb 0.02 -3.47 -0.00 0.00 2.00 0.00 0.00 34.13 32.68 3iqe s GLU 224 CO 0.27 -0.46 0.74 1.04 -0.56 0.00 0.00 175.26 176.29 3iqe n GLN 225 N 4.80 1.88 -3.34 4.30 1.13 -1.26 -4.76 117.38 120.13 3iqe n GLN 225 Ca 0.11 -0.71 -0.40 0.00 -1.94 0.00 0.00 57.00 54.07 3iqe n GLN 225 Cb 0.45 -1.17 -0.09 0.00 0.11 0.00 0.00 30.24 29.54 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 -1.60 6.27 0.45 1.08 3.68 -1.26 -4.98 116.67 120.31 3iqe s ASP 226 Ca 0.11 0.12 0.14 0.00 2.13 0.00 0.00 52.55 55.04 3iqe s ASP 226 Cb 0.10 -2.23 1.07 0.00 -1.45 0.00 0.00 42.92 40.41 3iqe s ASP 226 CO 0.32 -0.30 2.02 0.50 0.13 0.00 0.00 175.17 177.84 3iqe h LYS 227 N 8.29 0.33 0.00 4.34 3.64 -1.97 0.13 116.57 131.33 3iqe h LYS 227 Ca -0.30 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 3iqe h LYS 227 Cb 1.15 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3iqe h LYS 227 CO 0.69 0.22 -0.03 0.93 -2.27 0.00 0.00 179.45 178.99 3iqe h GLU 228 N 0.34 0.00 0.00 1.90 4.39 -2.01 -2.35 114.58 116.85 3iqe h GLU 228 Ca 0.22 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.48 3iqe h GLU 228 Cb 0.41 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.99 3iqe h GLU 228 CO -0.05 0.03 -2.51 0.54 -1.16 0.00 0.00 179.01 175.86 3iqe n ARG 229 N -3.30 0.60 0.17 2.33 1.74 -0.37 -4.55 116.66 113.28 3iqe n ARG 229 Ca -0.02 0.22 0.04 0.00 -0.77 0.00 0.00 57.85 57.32 3iqe n ARG 229 Cb 0.17 -1.49 0.26 0.00 -1.02 0.00 0.00 32.46 30.39 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 -0.66 0.00 0.10 -1.55 -0.00 -0.77 -2.17 116.97 111.92 3iqe h TYR 230 Ca -0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.07 3iqe h TYR 230 Cb 1.70 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.43 3iqe h TYR 230 CO -0.05 0.45 -0.05 0.28 -0.00 0.00 0.00 178.16 178.79 3iqe h VAL 231 N 0.00 1.00 -0.35 -0.90 2.07 -1.67 -2.40 116.25 114.01 3iqe h VAL 231 Ca -0.00 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3iqe h VAL 231 Cb 1.00 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3iqe h VAL 231 CO 0.06 0.09 0.23 -0.65 0.02 0.00 0.00 177.57 177.32 3iqe h PRO 232 N -0.31 0.44 -0.16 1.57 0.10 -1.79 -1.85 132.00 130.01 3iqe h PRO 232 Ca -0.01 -0.03 -0.01 0.00 0.10 0.00 0.00 66.00 66.05 3iqe h PRO 232 Cb 0.26 -0.10 -0.01 0.00 0.10 0.00 0.00 31.00 31.25 3iqe h PRO 232 CO 0.02 0.29 0.06 0.82 0.10 0.00 0.00 178.00 179.30 3iqe h ILE 233 N 0.46 1.16 -0.35 4.15 2.04 -1.19 -0.55 117.51 123.22 3iqe h ILE 233 Ca 0.13 -0.47 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 3iqe h ILE 233 Cb -0.03 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3iqe h ILE 233 CO -0.03 0.15 -0.28 -0.37 0.00 0.00 0.00 178.15 177.62 3iqe h VAL 234 N 0.10 1.28 -0.80 1.67 -1.51 -1.20 -1.82 116.25 113.97 3iqe h VAL 234 Ca 0.05 -1.40 -0.00 0.00 -1.23 0.00 0.00 66.70 64.12 3iqe h VAL 234 Cb 0.17 1.30 -0.04 0.00 -2.13 0.00 0.00 31.29 30.60 3iqe h VAL 234 CO -0.00 0.46 0.49 0.00 -1.23 0.00 0.00 177.57 177.28 3iqe h ALA 235 N 1.06 1.02 -0.58 5.19 0.00 -1.15 -2.14 119.26 122.67 3iqe h ALA 235 Ca 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3iqe h ALA 235 Cb 0.79 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3iqe h ALA 235 CO 0.07 0.48 0.17 0.66 0.00 0.00 0.00 179.25 180.63 3iqe h SER 236 N 1.10 0.81 -0.86 0.00 4.64 -0.28 -1.64 113.55 117.31 3iqe h SER 236 Ca 0.29 -0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.51 3iqe h SER 236 Cb -0.05 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 61.78 3iqe h SER 236 CO -0.05 0.77 0.55 0.00 -0.87 0.00 0.00 176.83 177.23 3iqe h ALA 237 N 1.34 1.15 -0.57 5.18 0.00 -0.79 -1.50 119.26 124.06 3iqe h ALA 237 Ca 0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3iqe h ALA 237 Cb 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3iqe h ALA 237 CO -0.01 0.37 0.07 0.45 0.00 0.00 0.00 179.25 180.13 3iqe h HIS 238 N 1.05 0.99 -0.57 0.00 3.86 -0.96 -2.21 115.15 117.31 3iqe h HIS 238 Ca 0.35 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.36 3iqe h HIS 238 Cb 0.05 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 3iqe h HIS 238 CO -0.02 0.86 0.07 0.93 0.86 0.00 0.00 177.93 180.63 3iqe h GLU 239 N 0.88 0.94 0.07 2.45 4.39 -0.98 -2.05 114.58 120.28 3iqe h GLU 239 Ca 0.18 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.65 3iqe h GLU 239 Cb 0.42 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3iqe h GLU 239 CO 0.01 0.88 -0.14 0.52 -1.16 0.00 0.00 179.01 179.13 3iqe h MET 240 N 0.88 -0.27 -0.97 2.33 2.86 -0.99 -2.65 114.93 116.13 3iqe h MET 240 Ca 0.18 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.91 3iqe h MET 240 Cb 0.42 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.07 3iqe h MET 240 CO 0.01 -0.18 0.62 1.98 1.06 0.00 0.00 176.91 180.41 3iqe h MET 241 N -0.28 1.05 -0.80 1.72 1.85 -1.16 0.19 114.93 117.51 3iqe h MET 241 Ca 0.03 -0.06 0.04 0.00 -0.61 0.00 0.00 59.70 59.09 3iqe h MET 241 Cb 0.30 -0.24 -0.05 0.00 0.43 0.00 0.00 31.60 32.04 3iqe h MET 241 CO -0.09 0.70 0.50 -0.09 -0.40 0.00 0.00 176.91 177.53 3iqe h ARG 242 N 1.08 0.93 0.00 0.39 2.43 -1.19 0.21 114.38 118.23 3iqe h ARG 242 Ca 0.43 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.36 3iqe h ARG 242 Cb 0.25 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3iqe h ARG 242 CO -0.18 0.61 -0.89 0.87 -1.51 0.00 0.00 179.97 178.87 3iqe h LYS 243 N 0.95 0.00 -0.60 0.20 1.79 -0.96 -1.90 116.57 116.05 3iqe h LYS 243 Ca 0.33 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.81 3iqe h LYS 243 Cb 0.06 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 3iqe h LYS 243 CO -0.13 0.89 0.39 0.00 -1.08 0.00 0.00 179.45 179.52 3iqe h ALA 244 N 1.11 0.76 -0.52 3.86 0.00 -0.61 -0.80 119.26 123.05 3iqe h ALA 244 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3iqe h ALA 244 Cb 1.60 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3iqe h ALA 244 CO 0.12 0.19 0.29 0.00 0.00 0.00 0.00 179.25 179.84 3iqe h ALA 245 N 1.22 1.52 -0.37 0.00 0.00 -0.70 0.28 119.26 121.21 3iqe h ALA 245 Ca 0.22 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3iqe h ALA 245 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3iqe h ALA 245 CO -0.05 0.40 0.06 0.93 0.00 0.00 0.00 179.25 180.59 3iqe h GLU 246 N 0.73 0.62 -0.49 0.00 5.08 -0.65 -1.60 114.58 118.28 3iqe h GLU 246 Ca 0.19 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3iqe h GLU 246 Cb 0.02 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3iqe h GLU 246 CO -0.03 0.69 0.28 -0.07 -1.00 0.00 0.00 179.01 178.88 3iqe h LEU 247 N 0.46 0.45 -0.83 1.33 3.38 -0.26 -1.45 115.31 118.39 3iqe h LEU 247 Ca 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3iqe h LEU 247 Cb 0.37 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3iqe h LEU 247 CO 0.01 0.32 0.47 0.00 0.09 0.00 0.00 178.44 179.33 3iqe h ALA 248 N 1.22 1.07 -0.69 1.53 0.00 -0.75 -0.94 119.26 120.70 3iqe h ALA 248 Ca 0.20 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3iqe h ALA 248 Cb 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3iqe h ALA 248 CO -0.10 0.56 0.43 0.22 0.00 0.00 0.00 179.25 180.37 3iqe h ASP 249 N 1.16 0.70 -0.56 0.00 3.58 -0.92 -1.75 116.42 118.63 3iqe h ASP 249 Ca 0.30 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.71 3iqe h ASP 249 Cb 0.01 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 3iqe h ASP 249 CO -0.05 0.49 0.21 -0.08 -2.88 0.00 0.00 179.24 176.92 3iqe h GLU 250 N 0.84 0.84 -0.19 0.28 4.81 -0.50 -0.68 114.58 119.98 3iqe h GLU 250 Ca 0.28 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3iqe h GLU 250 Cb 0.03 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.20 3iqe h GLU 250 CO -0.11 0.74 -0.31 0.00 -0.73 0.00 0.00 179.01 178.60 3iqe h ALA 251 N 1.06 -0.30 -0.87 2.92 0.00 -0.88 -1.84 119.26 119.34 3iqe h ALA 251 Ca 0.18 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3iqe h ALA 251 Cb 0.22 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3iqe h ALA 251 CO -0.01 -0.76 0.56 -0.09 0.00 0.00 0.00 179.25 178.94 3iqe h ARG 252 N -0.35 1.04 -0.14 0.00 2.43 -0.90 -2.29 114.38 114.17 3iqe h ARG 252 Ca 0.11 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3iqe h ARG 252 Cb 0.53 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3iqe h ARG 252 CO -0.39 0.69 -0.10 0.93 -1.51 0.00 0.00 179.97 179.59 3iqe h GLU 253 N 1.07 0.21 -0.32 0.20 4.39 -0.94 -0.03 114.58 119.16 3iqe h GLU 253 Ca 0.36 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.97 3iqe h GLU 253 Cb 0.05 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3iqe h GLU 253 CO -0.13 0.32 0.03 -0.07 -1.16 0.00 0.00 179.01 178.00 3iqe h LEU 254 N 0.20 0.53 -0.76 1.33 3.38 -0.79 -1.45 115.31 117.75 3iqe h LEU 254 Ca 0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3iqe h LEU 254 Cb 0.30 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3iqe h LEU 254 CO 0.02 0.68 0.39 -0.33 0.09 0.00 0.00 178.44 179.28 3iqe h GLU 255 N 0.37 1.09 -0.70 1.13 4.39 -0.93 -2.30 114.58 117.63 3iqe h GLU 255 Ca 0.10 -0.15 0.08 0.00 0.34 0.00 0.00 59.36 59.73 3iqe h GLU 255 Cb 0.38 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 3iqe h GLU 255 CO 0.01 0.83 0.46 0.87 -1.16 0.00 0.00 179.01 180.02 3iqe h LYS 256 N 1.07 0.62 0.00 2.33 1.57 -0.58 -1.38 116.57 120.20 3iqe h LYS 256 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3iqe h LYS 256 Cb 0.09 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3iqe h LYS 256 CO -0.04 0.41 0.00 0.66 -0.57 0.00 0.00 179.45 179.91 3iqe h SER 257 N 0.64 0.00 -0.12 0.86 4.64 -0.68 -1.40 113.55 117.49 3iqe h SER 257 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3iqe h SER 257 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3iqe h SER 257 CO -0.10 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.45 3iqe n ASN 258 N -2.87 2.18 -3.64 4.97 4.13 -0.61 -4.99 115.26 114.43 3iqe n ASN 258 Ca -0.00 -1.63 -0.22 0.00 1.68 0.00 0.00 54.58 54.40 3iqe n ASN 258 Cb 0.20 -0.08 0.04 0.00 -1.54 0.00 0.00 39.78 38.40 3iqe n ASN 258 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3iqe n ASP 259 N 0.47 -2.61 -1.06 6.41 2.03 -0.53 -4.91 116.55 116.36 3iqe n ASP 259 Ca 0.07 -0.84 0.04 0.00 0.52 0.00 0.00 54.79 54.58 3iqe n ASP 259 Cb 0.30 -4.08 0.06 0.00 -0.72 0.00 0.00 41.12 36.68 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 -4.12 2.56 -2.10 -1.67 0.00 -0.79 -4.13 120.51 110.25 3iqe n ALA 260 Ca -0.23 -2.33 -0.42 0.00 0.00 0.00 0.00 53.44 50.45 3iqe n ALA 260 Cb 0.66 -0.60 -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 -0.83 3.73 0.15 0.00 1.01 -1.16 -4.66 120.40 118.65 3iqe s VAL 261 Ca 0.29 0.88 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 3iqe s VAL 261 Cb 0.31 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 3iqe s VAL 261 CO -0.11 -0.11 1.31 -0.22 0.00 0.00 0.00 175.10 175.97 3iqe s LEU 262 N 4.12 4.40 -0.04 3.92 2.96 -1.26 -4.24 118.68 128.53 3iqe s LEU 262 Ca 0.70 2.31 0.02 0.00 -0.22 0.00 0.00 54.13 56.93 3iqe s LEU 262 Cb -0.30 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.81 3iqe s LEU 262 CO 0.27 -0.54 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.55 3iqe s ARG 263 N 0.42 1.04 -0.52 1.98 0.52 -0.51 -5.02 118.95 116.86 3iqe s ARG 263 Ca 0.59 -0.23 0.07 0.00 -0.52 0.00 0.00 55.73 55.64 3iqe s ARG 263 Cb -0.35 -0.96 0.27 0.00 0.52 0.00 0.00 34.95 34.43 3iqe s ARG 263 CO 0.34 0.01 0.70 0.25 0.02 0.00 0.00 175.30 176.62 3iqe n THR 264 N 3.72 1.14 -2.05 0.02 -2.24 -1.26 -1.44 114.28 112.16 3iqe n THR 264 Ca -0.22 -4.79 -0.29 0.00 -2.27 0.00 0.00 64.05 56.47 3iqe n THR 264 Cb 0.52 -1.76 0.03 0.00 -2.10 0.00 0.00 70.33 67.02 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 -2.16 3.03 0.20 -0.78 0.04 -1.25 -4.63 135.00 129.45 3iqe s PRO 265 Ca 0.39 0.37 -0.19 0.00 0.04 0.00 0.00 61.00 61.62 3iqe s PRO 265 Cb 0.20 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 3iqe s PRO 265 CO -0.07 -0.83 0.69 -1.01 0.04 0.00 0.00 177.00 175.83 3iqe s HIS 266 N -3.20 3.67 0.76 0.56 3.76 -1.26 -0.88 115.29 118.70 3iqe s HIS 266 Ca 0.56 1.36 -0.11 0.00 -0.15 0.00 0.00 55.06 56.71 3iqe s HIS 266 Cb -0.11 -2.59 0.05 0.00 1.11 0.00 0.00 32.58 31.04 3iqe s HIS 266 CO 0.50 0.38 1.09 0.00 -0.85 0.00 0.00 174.74 175.86 3iqe s ALA 267 N -1.46 2.44 0.39 -1.40 0.00 0.18 -4.90 121.76 117.01 3iqe s ALA 267 Ca 0.41 -0.18 0.12 0.00 0.00 0.00 0.00 51.96 52.31 3iqe s ALA 267 Cb -0.17 -3.10 0.92 0.00 0.00 0.00 0.00 23.12 20.77 3iqe s ALA 267 CO 0.21 -1.53 1.89 -1.35 0.00 0.00 0.00 175.76 174.98 3iqe h PRO 268 N -0.95 0.55 -0.17 0.00 0.11 -1.89 0.19 132.00 129.85 3iqe h PRO 268 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iqe h PRO 268 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3iqe h PRO 268 CO 0.60 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 3iqe n ASP 269 N -4.52 1.02 0.00 -2.05 5.68 -1.26 -0.48 116.55 114.93 3iqe n ASP 269 Ca 0.16 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 3iqe n ASP 269 Cb 0.50 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3iqe n ASP 269 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iqe n GLY 270 N 0.86 1.83 3.65 6.12 0.00 0.67 -4.79 105.19 113.53 3iqe n GLY 270 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 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 1.85 -2.81 1.61 4.81 -1.26 -4.54 118.16 115.83 3iqe n LYS 271 Ca 0.00 0.66 -0.43 0.00 -0.87 0.00 0.00 58.31 57.67 3iqe n LYS 271 Cb 0.00 -2.33 -0.04 0.00 0.02 0.00 0.00 35.03 32.68 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 0.27 4.49 0.79 3.15 1.01 -1.26 0.48 120.40 129.34 3iqe s VAL 272 Ca 0.74 0.90 -0.08 0.00 0.00 0.00 0.00 61.98 63.54 3iqe s VAL 272 Cb -0.72 -4.41 0.12 0.00 0.00 0.00 0.00 36.38 31.37 3iqe s VAL 272 CO 0.46 -0.75 1.11 -0.76 0.00 0.00 0.00 175.10 175.16 3iqe s LEU 273 N 3.71 2.81 0.01 3.92 1.43 -0.06 -4.98 118.68 125.52 3iqe s LEU 273 Ca 0.38 0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 53.51 3iqe s LEU 273 Cb -0.10 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.56 3iqe s LEU 273 CO 0.24 -2.03 0.40 -0.55 0.23 0.00 0.00 176.35 174.64 3iqe s SER 274 N -4.69 -0.28 0.14 2.29 0.15 -1.26 -3.82 113.70 106.24 3iqe s SER 274 Ca 0.66 0.10 -0.25 0.00 0.70 0.00 0.00 55.95 57.17 3iqe s SER 274 Cb -0.07 0.39 0.07 0.00 -1.71 0.00 0.00 66.02 64.69 3iqe s SER 274 CO 0.47 -0.57 0.79 -1.59 1.20 0.00 0.00 173.24 173.55 3iqe s LYS 275 N -1.89 1.26 0.00 5.44 -2.85 -0.52 -1.60 119.74 119.57 3iqe s LYS 275 Ca -0.09 -0.59 0.00 0.00 -1.00 0.00 0.00 55.97 54.29 3iqe s LYS 275 Cb -0.02 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 3iqe s LYS 275 CO 0.02 -0.56 0.00 0.54 0.10 0.00 0.00 175.35 175.44 3iqe n ARG 276 N -0.39 0.00 -2.35 1.78 1.74 -1.26 -1.43 116.66 114.76 3iqe n ARG 276 Ca -0.09 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.58 3iqe n ARG 276 Cb 0.62 -0.73 -0.03 0.00 -1.02 0.00 0.00 32.46 31.29 3iqe n ARG 276 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3iqe s LYS 277 N -1.74 4.48 0.25 5.56 1.02 -1.26 -2.97 119.74 125.09 3iqe s LYS 277 Ca 0.00 1.91 -0.04 0.00 0.02 0.00 0.00 55.97 57.86 3iqe s LYS 277 Cb 0.00 -3.23 0.38 0.00 -0.52 0.00 0.00 37.83 34.46 3iqe s LYS 277 CO 0.00 -0.11 1.85 0.35 -0.92 0.00 0.00 175.35 176.53 3iqe h PHE 278 N 5.17 1.05 -0.36 3.18 3.04 -1.92 -2.25 116.94 124.85 3iqe h PHE 278 Ca -0.45 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.53 3iqe h PHE 278 Cb 1.21 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 39.39 3iqe h PHE 278 CO 0.62 0.52 0.00 -1.33 -2.02 0.00 0.00 178.31 176.09 3iqe n MET 279 N -4.60 2.26 -3.44 1.11 2.81 -1.26 -4.93 117.12 109.06 3iqe n MET 279 Ca 0.14 -1.92 -0.31 0.00 -1.81 0.00 0.00 57.70 53.80 3iqe n MET 279 Cb 0.20 -1.47 -0.05 0.00 -0.71 0.00 0.00 33.22 31.20 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 -1.53 3.71 0.21 0.03 -1.05 -0.85 -5.06 118.70 114.17 3iqe s GLU 280 Ca 0.37 0.11 -0.30 0.00 -0.15 0.00 0.00 54.97 55.00 3iqe s GLU 280 Cb 0.21 -2.69 -0.08 0.00 -0.44 0.00 0.00 34.13 31.12 3iqe s GLU 280 CO 0.29 0.31 1.19 -0.51 0.95 0.00 0.00 175.26 177.49 3iqe s ASP 281 N -2.64 7.10 0.24 0.83 1.01 -1.26 -4.93 116.67 117.02 3iqe s ASP 281 Ca 0.45 2.27 -0.30 0.00 0.71 0.00 0.00 52.55 55.68 3iqe s ASP 281 Cb -0.11 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.10 3iqe s ASP 281 CO 0.25 -0.34 1.45 -2.16 0.21 0.00 0.00 175.17 174.58 3iqe s PRO 282 N -0.57 4.26 0.00 8.23 0.04 -1.26 -4.84 135.00 140.86 3iqe s PRO 282 Ca 0.51 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.86 3iqe s PRO 282 Cb -0.33 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3iqe s PRO 282 CO 0.39 -0.44 0.17 0.39 0.04 0.00 0.00 177.00 177.54