#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 3.85 0.14 12.58 1.01 -1.26 -4.59 120.40 132.12 3iqe s VAL 3 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 3iqe s VAL 3 Cb 0.00 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.21 3iqe s VAL 3 CO 0.00 -0.07 0.81 0.00 0.00 0.00 0.00 175.10 175.83 3iqe s ALA 4 N 1.44 3.40 0.07 5.51 0.00 0.18 -4.93 121.76 127.44 3iqe s ALA 4 Ca 0.00 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.43 3iqe s ALA 4 Cb -0.19 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3iqe s ALA 4 CO 0.03 0.20 -0.23 0.15 0.00 0.00 0.00 175.76 175.91 3iqe s LYS 5 N -0.79 1.38 -0.06 0.00 1.02 -1.26 -1.70 119.74 118.33 3iqe s LYS 5 Ca 0.38 -1.09 -0.24 0.00 0.02 0.00 0.00 55.97 55.04 3iqe s LYS 5 Cb -0.23 -1.60 0.05 0.00 -0.52 0.00 0.00 37.83 35.54 3iqe s LYS 5 CO 0.26 0.39 0.55 0.00 -0.92 0.00 0.00 175.35 175.64 3iqe s ALA 6 N -0.94 -1.41 -0.05 5.17 0.00 -0.98 -0.44 121.76 123.11 3iqe s ALA 6 Ca 0.09 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.13 3iqe s ALA 6 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 3iqe s ALA 6 CO 0.03 -0.32 -0.18 0.42 0.00 0.00 0.00 175.76 175.71 3iqe s ILE 7 N -1.04 2.75 -0.10 0.00 1.01 -1.07 -1.42 121.20 121.32 3iqe s ILE 7 Ca -0.10 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.74 3iqe s ILE 7 Cb -0.02 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 3iqe s ILE 7 CO 0.07 0.58 -0.18 -0.36 0.00 0.00 0.00 174.94 175.05 3iqe s PHE 8 N -0.56 2.67 -0.09 3.97 0.40 -0.39 -0.08 117.98 123.90 3iqe s PHE 8 Ca 0.08 -0.73 0.04 0.00 -0.60 0.00 0.00 56.93 55.72 3iqe s PHE 8 Cb -0.11 -1.74 -0.01 0.00 0.51 0.00 0.00 43.02 41.67 3iqe s PHE 8 CO 0.01 -0.23 -0.23 0.42 0.70 0.00 0.00 175.22 175.89 3iqe s ILE 9 N 0.16 2.21 -0.19 0.64 1.01 0.12 -1.42 121.20 123.73 3iqe s ILE 9 Ca -0.10 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.57 3iqe s ILE 9 Cb -0.16 -1.84 0.04 0.00 0.01 0.00 0.00 42.46 40.51 3iqe s ILE 9 CO 0.06 0.56 -0.07 -0.54 0.00 0.00 0.00 174.94 174.95 3iqe s LYS 10 N 0.19 1.70 -0.09 2.79 1.02 -0.87 0.23 119.74 124.71 3iqe s LYS 10 Ca -0.13 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.15 3iqe s LYS 10 Cb -0.16 -2.26 0.02 0.00 -0.52 0.00 0.00 37.83 34.91 3iqe s LYS 10 CO 0.07 -0.45 -0.07 0.00 -0.92 0.00 0.00 175.35 173.98 3iqe n GLY 12 N 4.64 -1.39 3.05 0.00 0.00 0.48 -4.20 105.19 107.77 3iqe n GLY 12 Ca -0.15 -1.48 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.92 1.81 0.09 1.61 2.47 -1.26 -4.72 114.94 112.02 3iqe s ASN 13 Ca 0.00 -0.30 0.05 0.00 0.42 0.00 0.00 52.86 53.03 3iqe s ASN 13 Cb 0.00 -0.69 -0.03 0.00 -1.45 0.00 0.00 41.25 39.08 3iqe s ASN 13 CO 0.00 0.07 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.56 3iqe s LEU 14 N 0.41 2.34 0.22 3.21 1.02 -1.26 -4.66 118.68 119.96 3iqe s LEU 14 Ca -0.10 -0.72 -0.08 0.00 0.02 0.00 0.00 54.13 53.26 3iqe s LEU 14 Cb -0.13 -0.50 0.30 0.00 0.02 0.00 0.00 46.19 45.88 3iqe s LEU 14 CO 0.03 -0.13 1.79 1.23 0.02 0.00 0.00 176.35 179.29 3iqe h GLY 15 N 3.89 1.04 1.09 -3.19 0.00 -1.94 -0.75 103.07 103.20 3iqe h GLY 15 Ca -0.40 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 46.57 3iqe h GLY 15 CO 0.46 0.10 -0.22 -0.84 0.00 0.00 0.00 176.54 176.04 3iqe h THR 16 N 0.63 1.27 0.00 4.70 2.02 -1.97 -3.00 112.91 116.57 3iqe h THR 16 Ca 0.33 -1.38 -0.10 0.00 0.77 0.00 0.00 66.41 66.03 3iqe h THR 16 Cb 0.30 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3iqe h THR 16 CO -0.24 0.47 -0.50 0.77 0.37 0.00 0.00 175.52 176.40 3iqe h SER 17 N 0.80 0.00 -0.22 4.18 4.64 -1.81 -0.79 113.55 120.35 3iqe h SER 17 Ca 0.10 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 3iqe h SER 17 Cb 0.79 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3iqe h SER 17 CO 0.07 0.50 -0.15 -0.03 -0.87 0.00 0.00 176.83 176.34 3iqe h MET 18 N 0.00 0.64 -0.00 4.77 -1.53 -1.02 -3.28 114.93 114.51 3iqe h MET 18 Ca -0.00 -0.21 0.00 0.00 -3.44 0.00 0.00 59.70 56.04 3iqe h MET 18 Cb 0.90 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.90 3iqe h MET 18 CO 0.06 0.76 -0.79 -1.33 0.14 0.00 0.00 176.91 175.76 3iqe n MET 19 N -4.16 0.95 -0.28 0.39 2.81 -0.95 -4.72 117.12 111.17 3iqe n MET 19 Ca 0.01 -0.18 -0.03 0.00 -1.81 0.00 0.00 57.70 55.69 3iqe n MET 19 Cb 0.37 -1.38 0.08 0.00 -0.71 0.00 0.00 33.22 31.58 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 0.42 0.96 -0.45 0.03 -0.00 -1.22 -0.86 114.93 113.81 3iqe h MET 20 Ca 0.00 -0.06 -0.14 0.00 -0.00 0.00 0.00 59.70 59.50 3iqe h MET 20 Cb 0.49 -0.22 -0.01 0.00 -0.00 0.00 0.00 31.60 31.86 3iqe h MET 20 CO 0.00 0.63 -0.28 0.38 -0.00 0.00 0.00 176.91 177.65 3iqe h ASP 21 N 0.99 1.02 0.39 -0.10 2.03 -1.85 -3.06 116.42 115.85 3iqe h ASP 21 Ca 0.30 -0.42 -0.07 0.00 -0.73 0.00 0.00 57.03 56.11 3iqe h ASP 21 Cb -0.04 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.17 3iqe h ASP 21 CO -0.09 1.22 -0.33 0.24 -1.03 0.00 0.00 179.24 179.25 3iqe h MET 22 N 0.83 0.00 0.00 4.15 2.86 -1.51 -1.85 114.93 119.40 3iqe h MET 22 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3iqe h MET 22 Cb 0.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.53 3iqe h MET 22 CO 0.08 0.33 0.00 1.28 1.06 0.00 0.00 176.91 179.66 3iqe n LEU 23 N -4.02 0.14 0.01 1.22 4.77 -0.64 -2.21 117.00 116.27 3iqe n LEU 23 Ca -0.02 0.53 0.11 0.00 -0.03 0.00 0.00 56.01 56.61 3iqe n LEU 23 Cb 0.38 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 3iqe n LEU 23 CO 0.38 -0.32 -0.28 0.18 -1.33 0.00 0.00 177.39 176.01 3iqe n LEU 24 N -1.65 0.49 -3.04 2.23 4.77 -0.70 -4.63 117.00 114.47 3iqe n LEU 24 Ca 0.03 -0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.76 3iqe n LEU 24 Cb 0.18 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3iqe n LEU 24 CO 0.14 0.05 -0.08 -0.67 -1.33 0.00 0.00 177.39 175.51 3iqe n ASP 25 N -2.02 -0.48 0.28 -1.43 2.03 -0.94 -4.99 116.55 109.00 3iqe n ASP 25 Ca 0.00 -3.10 0.16 0.00 0.52 0.00 0.00 54.79 52.37 3iqe n ASP 25 Cb 0.47 0.21 0.80 0.00 -0.72 0.00 0.00 41.12 41.88 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 3.40 0.00 -0.10 -0.67 9.09 -1.80 -2.12 114.58 122.38 3iqe h GLU 26 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 3iqe h GLU 26 Cb 0.98 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.08 3iqe h GLU 26 CO 0.39 0.07 0.00 0.54 0.05 0.00 0.00 179.01 180.06 3iqe n ARG 27 N -3.33 2.61 -2.78 1.06 1.74 -1.26 -4.99 116.66 109.72 3iqe n ARG 27 Ca -0.01 -1.98 -0.19 0.00 -0.77 0.00 0.00 57.85 54.91 3iqe n ARG 27 Cb 0.24 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.47 -0.86 -0.34 7.54 0.00 -0.80 -4.87 120.51 120.71 3iqe n ALA 28 Ca 0.08 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.71 3iqe n ALA 28 Cb 0.43 -2.45 0.07 0.00 0.00 0.00 0.00 19.45 17.51 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 -2.11 2.32 -4.66 0.00 5.75 -1.26 -4.96 116.55 111.63 3iqe n ASP 29 Ca -0.13 -2.32 -0.43 0.00 -0.01 0.00 0.00 54.79 51.90 3iqe n ASP 29 Cb 0.61 -0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 40.51 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 -1.56 4.24 0.00 0.11 0.52 -1.26 -4.39 118.95 116.60 3iqe s ARG 30 Ca 0.13 1.34 0.27 0.00 -0.52 0.00 0.00 55.73 56.96 3iqe s ARG 30 Cb 0.10 -3.66 0.87 0.00 0.52 0.00 0.00 34.95 32.79 3iqe s ARG 30 CO 0.03 -0.67 1.64 0.39 0.02 0.00 0.00 175.30 176.72 3iqe n GLU 31 N 6.40 1.31 -0.38 3.54 1.02 0.02 -4.13 120.64 128.42 3iqe n GLU 31 Ca 0.12 -0.78 0.12 0.00 -0.02 0.00 0.00 57.16 56.60 3iqe n GLU 31 Cb 0.46 -1.48 0.33 0.00 -0.02 0.00 0.00 31.44 30.72 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 -0.16 3.95 -4.03 1.62 3.85 -1.25 -4.82 116.55 115.70 3iqe n ASP 32 Ca 0.16 -2.01 -0.08 0.00 -0.71 0.00 0.00 54.79 52.15 3iqe n ASP 32 Cb 0.36 -0.49 -0.10 0.00 -1.35 0.00 0.00 41.12 39.54 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 -1.03 0.18 -0.22 2.12 -7.23 -1.26 -0.65 120.40 112.32 3iqe s VAL 33 Ca 0.49 -1.48 -0.09 0.00 -1.81 0.00 0.00 61.98 59.10 3iqe s VAL 33 Cb 0.26 -1.15 0.09 0.00 0.56 0.00 0.00 36.38 36.13 3iqe s VAL 33 CO 0.33 -0.82 0.48 -0.70 -0.31 0.00 0.00 175.10 174.09 3iqe s GLU 34 N -3.20 0.42 0.20 4.82 2.12 -0.69 -4.89 118.70 117.48 3iqe s GLU 34 Ca 0.00 1.06 0.10 0.00 0.36 0.00 0.00 54.97 56.50 3iqe s GLU 34 Cb 0.03 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 3iqe s GLU 34 CO -0.07 -0.21 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.17 3iqe s PHE 35 N 2.26 2.10 0.07 5.30 2.99 -1.26 -2.31 117.98 127.13 3iqe s PHE 35 Ca -0.05 -0.40 0.07 0.00 0.00 0.00 0.00 56.93 56.54 3iqe s PHE 35 Cb -0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 43.02 41.88 3iqe s PHE 35 CO -0.14 0.48 -0.19 1.03 -0.00 0.00 0.00 175.22 176.40 3iqe s ARG 36 N -2.97 1.13 -0.08 0.44 1.81 -0.51 -4.98 118.95 113.79 3iqe s ARG 36 Ca 0.21 -0.98 0.02 0.00 -1.72 0.00 0.00 55.73 53.25 3iqe s ARG 36 Cb -0.06 -1.27 0.02 0.00 -0.45 0.00 0.00 34.95 33.19 3iqe s ARG 36 CO 0.10 0.31 -0.11 0.08 -0.68 0.00 0.00 175.30 174.99 3iqe s VAL 37 N -1.00 1.14 0.17 3.52 1.01 -1.26 -1.26 120.40 122.72 3iqe s VAL 37 Ca 0.05 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3iqe s VAL 37 Cb -0.09 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 3iqe s VAL 37 CO 0.03 0.37 -0.08 0.68 0.00 0.00 0.00 175.10 176.09 3iqe s VAL 38 N 0.94 1.13 -1.73 2.92 -7.23 -0.51 -4.99 120.40 110.93 3iqe s VAL 38 Ca -0.09 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 3iqe s VAL 38 Cb -0.15 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.82 3iqe s VAL 38 CO 0.00 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 3iqe n GLY 39 N -0.25 -1.48 0.19 2.32 0.00 -1.26 -2.04 105.19 102.67 3iqe n GLY 39 Ca -0.09 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 1.64 1.95 0.00 2.61 -2.24 -1.13 -4.94 114.28 112.17 3iqe n THR 40 Ca 0.00 -2.47 0.00 0.00 -2.27 0.00 0.00 64.05 59.31 3iqe n THR 40 Cb 0.00 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 3iqe n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iqe n SER 41 N -1.36 0.00 0.03 3.42 2.88 -1.26 -2.89 113.62 114.44 3iqe n SER 41 Ca 0.17 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.84 3iqe n SER 41 Cb 0.65 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.61 3iqe n SER 41 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3iqe n VAL 42 N 0.00 0.18 -2.67 2.46 0.24 -1.26 -0.39 118.33 116.89 3iqe n VAL 42 Ca 0.00 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.79 3iqe n VAL 42 Cb 0.00 -0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 31.92 3iqe n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3iqe s LYS 43 N -3.04 4.48 -0.02 7.34 -0.14 -1.14 -3.58 119.74 123.64 3iqe s LYS 43 Ca 0.12 1.44 0.13 0.00 -1.36 0.00 0.00 55.97 56.31 3iqe s LYS 43 Cb 0.17 -3.50 0.23 0.00 -1.68 0.00 0.00 37.83 33.05 3iqe s LYS 43 CO 0.58 -0.21 1.10 0.00 -0.76 0.00 0.00 175.35 176.05 3iqe n MET 44 N 4.50 0.15 -1.36 1.68 0.00 -1.26 -3.72 117.12 117.11 3iqe n MET 44 Ca 0.08 -1.66 -0.32 0.00 0.00 0.00 0.00 57.70 55.79 3iqe n MET 44 Cb 0.49 -0.38 0.09 0.00 0.00 0.00 0.00 33.22 33.42 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 -1.67 4.37 0.21 3.17 -4.77 -1.26 -3.89 116.67 112.82 3iqe s ASP 45 Ca 0.19 2.05 -0.13 0.00 -3.30 0.00 0.00 52.55 51.35 3iqe s ASP 45 Cb 0.21 -2.55 0.23 0.00 -1.09 0.00 0.00 42.92 39.72 3iqe s ASP 45 CO -0.08 -2.13 1.64 -0.65 0.70 0.00 0.00 175.17 174.64 3iqe h PRO 46 N -0.72 0.02 0.00 2.11 0.11 -1.88 -1.23 132.00 130.41 3iqe h PRO 46 Ca -0.45 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3iqe h PRO 46 Cb 1.25 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3iqe h PRO 46 CO 0.50 0.01 -0.13 0.93 -0.21 0.00 0.00 178.00 179.10 3iqe h GLU 47 N 0.02 0.00 0.02 1.05 4.39 -1.97 -1.78 114.58 116.31 3iqe h GLU 47 Ca 0.29 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.88 3iqe h GLU 47 Cb 0.46 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3iqe h GLU 47 CO -0.61 0.13 -0.47 0.00 -1.16 0.00 0.00 179.01 176.90 3iqe h VAL 49 N -0.33 1.09 -0.38 0.00 2.07 -1.17 0.12 116.25 117.65 3iqe h VAL 49 Ca -0.06 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.34 3iqe h VAL 49 Cb 1.23 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 31.59 3iqe h VAL 49 CO 0.09 0.09 -0.23 -0.08 0.02 0.00 0.00 177.57 177.46 3iqe h GLU 50 N 0.40 -0.16 -0.63 1.57 4.81 -1.37 0.18 114.58 119.38 3iqe h GLU 50 Ca 0.11 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3iqe h GLU 50 Cb -0.02 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3iqe h GLU 50 CO -0.02 -0.11 0.38 0.00 -0.73 0.00 0.00 179.01 178.53 3iqe h ALA 51 N 1.03 0.82 -0.20 2.92 0.00 -0.51 -0.28 119.26 123.05 3iqe h ALA 51 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3iqe h ALA 51 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3iqe h ALA 51 CO -0.48 0.12 0.10 0.00 0.00 0.00 0.00 179.25 178.99 3iqe h ALA 52 N 1.28 0.26 -0.74 0.00 0.00 0.09 -1.69 119.26 118.47 3iqe h ALA 52 Ca 0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3iqe h ALA 52 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3iqe h ALA 52 CO -0.11 -0.19 0.26 0.28 0.00 0.00 0.00 179.25 179.48 3iqe h VAL 53 N 0.21 1.26 -0.81 0.00 2.07 -0.68 0.08 116.25 118.38 3iqe h VAL 53 Ca 0.07 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 3iqe h VAL 53 Cb 0.09 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3iqe h VAL 53 CO -0.01 0.34 0.40 -0.33 0.02 0.00 0.00 177.57 177.99 3iqe h GLU 54 N 1.09 1.15 -0.39 1.57 5.08 -0.92 0.12 114.58 122.28 3iqe h GLU 54 Ca 0.24 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3iqe h GLU 54 Cb 0.26 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3iqe h GLU 54 CO -0.01 0.87 0.22 0.52 -1.00 0.00 0.00 179.01 179.61 3iqe h MET 55 N 1.14 0.44 -0.16 2.33 2.86 -0.21 0.16 114.93 121.49 3iqe h MET 55 Ca 0.28 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 3iqe h MET 55 Cb 0.09 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3iqe h MET 55 CO -0.04 0.29 0.06 0.00 1.06 0.00 0.00 176.91 178.28 3iqe h ALA 56 N 1.18 0.21 -0.16 6.32 0.00 -0.07 -2.62 119.26 124.12 3iqe h ALA 56 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3iqe h ALA 56 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iqe h ALA 56 CO -0.08 -0.20 -0.14 -0.07 0.00 0.00 0.00 179.25 178.75 3iqe h LEU 57 N 0.11 0.25 0.00 0.00 3.38 -0.59 0.10 115.31 118.56 3iqe h LEU 57 Ca 0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqe h LEU 57 Cb 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3iqe h LEU 57 CO -0.00 0.42 -0.00 0.44 0.09 0.00 0.00 178.44 179.39 3iqe h ASP 58 N 0.25 -0.00 1.53 -0.43 3.45 -0.48 -3.01 116.42 117.73 3iqe h ASP 58 Ca 0.05 -0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 3iqe h ASP 58 Cb 0.41 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 3iqe h ASP 58 CO 0.02 0.02 -0.31 0.16 -1.57 0.00 0.00 179.24 177.57 3iqe h ILE 59 N -0.03 0.55 -0.62 0.35 3.07 -1.31 -3.04 117.51 116.49 3iqe h ILE 59 Ca -0.00 -1.66 0.10 0.00 1.55 0.00 0.00 64.86 64.85 3iqe h ILE 59 Cb 0.03 2.18 -0.04 0.00 -0.27 0.00 0.00 36.82 38.71 3iqe h ILE 59 CO 0.00 0.30 0.41 0.00 -1.05 0.00 0.00 178.15 177.81 3iqe h ALA 60 N 1.69 2.00 -0.49 0.16 0.00 -0.67 0.55 119.26 122.50 3iqe h ALA 60 Ca -0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.99 3iqe h ALA 60 Cb 1.15 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 3iqe h ALA 60 CO 0.04 -0.14 -0.19 0.93 0.00 0.00 0.00 179.25 179.90 3iqe h GLU 61 N 0.43 -0.07 0.00 0.00 4.39 -1.40 0.73 114.58 118.65 3iqe h GLU 61 Ca 0.29 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.81 3iqe h GLU 61 Cb 0.55 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3iqe h GLU 61 CO -0.08 -0.05 -1.38 -0.44 -1.16 0.00 0.00 179.01 175.90 3iqe h ASP 62 N -0.08 0.00 0.76 1.42 3.32 -1.67 -3.38 116.42 116.80 3iqe h ASP 62 Ca 0.23 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.03 3iqe h ASP 62 Cb 0.43 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3iqe h ASP 62 CO -0.54 0.62 -1.20 0.15 -1.72 0.00 0.00 179.24 176.55 3iqe h PHE 63 N 0.00 0.24 -5.54 4.55 3.57 -0.45 -3.49 116.94 115.82 3iqe h PHE 63 Ca -0.16 -0.17 -0.28 0.00 3.53 0.00 0.00 57.97 60.88 3iqe h PHE 63 Cb 1.61 -0.01 0.18 0.00 2.79 0.00 0.00 35.95 40.53 3iqe h PHE 63 CO 0.00 1.15 -0.84 0.39 -2.23 0.00 0.00 178.31 176.78 3iqe n GLU 64 N -3.41 -3.30 -2.12 1.11 1.02 0.21 -4.95 120.64 109.20 3iqe n GLU 64 Ca -0.06 0.84 -0.35 0.00 -0.02 0.00 0.00 57.16 57.57 3iqe n GLU 64 Cb 0.99 -5.76 0.02 0.00 -0.02 0.00 0.00 31.44 26.67 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 -4.72 3.14 0.27 3.49 0.04 -1.26 -4.83 135.00 131.13 3iqe s PRO 65 Ca 0.34 1.71 0.15 0.00 0.04 0.00 0.00 61.00 63.24 3iqe s PRO 65 Cb -0.05 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.63 3iqe s PRO 65 CO 0.74 -1.04 1.46 -0.44 0.04 0.00 0.00 177.00 177.76 3iqe h ASP 66 N 1.00 0.00 -5.00 6.66 3.32 -1.12 -3.47 116.42 117.80 3iqe h ASP 66 Ca -0.50 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.59 3iqe h ASP 66 Cb 1.28 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.75 3iqe h ASP 66 CO 0.56 0.54 0.23 0.72 -1.72 0.00 0.00 179.24 179.57 3iqe s PHE 67 N -3.01 -0.31 -0.00 4.55 -0.12 -1.21 -4.30 117.98 113.58 3iqe s PHE 67 Ca 0.03 -0.06 0.05 0.00 -0.05 0.00 0.00 56.93 56.90 3iqe s PHE 67 Cb 0.08 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 43.11 3iqe s PHE 67 CO 0.75 -1.09 -0.16 0.42 -0.05 0.00 0.00 175.22 175.08 3iqe s ILE 68 N -3.84 1.28 -0.11 -4.49 1.01 0.13 -2.60 121.20 112.57 3iqe s ILE 68 Ca 0.08 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.00 3iqe s ILE 68 Cb -0.04 -1.08 -0.00 0.00 0.01 0.00 0.00 42.46 41.35 3iqe s ILE 68 CO 0.00 0.31 -0.20 -0.69 0.00 0.00 0.00 174.94 174.36 3iqe s VAL 69 N -0.46 2.36 -0.21 2.92 1.01 0.88 -1.40 120.40 125.51 3iqe s VAL 69 Ca 0.06 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 3iqe s VAL 69 Cb -0.07 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3iqe s VAL 69 CO -0.00 0.55 0.02 -0.47 0.00 0.00 0.00 175.10 175.19 3iqe s TYR 70 N 0.40 3.06 -0.11 5.22 6.14 0.64 0.13 117.35 132.83 3iqe s TYR 70 Ca -0.15 -0.42 0.00 0.00 0.64 0.00 0.00 57.07 57.14 3iqe s TYR 70 Cb -0.17 -2.11 0.02 0.00 0.42 0.00 0.00 41.96 40.12 3iqe s TYR 70 CO 0.07 -0.23 -0.09 0.20 0.64 0.00 0.00 175.55 176.14 3iqe s GLY 71 N 1.06 0.84 0.00 8.97 0.00 0.13 -0.51 107.32 117.82 3iqe s GLY 71 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3iqe s GLY 71 CO 0.02 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.41 3iqe n GLY 72 N 4.75 -0.88 3.67 0.20 0.00 -0.70 -3.00 105.19 109.23 3iqe n GLY 72 Ca -0.14 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3iqe n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iqe n PRO 73 N -0.20 1.83 -2.80 1.61 -0.02 -1.26 -4.16 135.00 129.99 3iqe n PRO 73 Ca 0.00 0.65 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 3iqe n PRO 73 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3iqe n PRO 73 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3iqe n ASN 74 N 0.60 -5.47 0.19 2.55 5.15 -1.26 -4.82 115.26 112.19 3iqe n ASN 74 Ca 0.07 0.30 0.13 0.00 -0.60 0.00 0.00 54.58 54.48 3iqe n ASN 74 Cb 0.37 -1.33 0.65 0.00 -0.53 0.00 0.00 39.78 38.95 3iqe n ASN 74 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3iqe h PRO 75 N 3.08 0.00 -0.01 1.20 0.11 -1.85 -1.47 132.00 133.06 3iqe h PRO 75 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3iqe h PRO 75 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3iqe h PRO 75 CO 0.01 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 177.61 3iqe n ALA 76 N -1.84 2.95 -1.46 -0.75 0.00 -1.26 -3.63 120.51 114.51 3iqe n ALA 76 Ca -0.01 -0.41 -0.30 0.00 0.00 0.00 0.00 53.44 52.72 3iqe n ALA 76 Cb 0.11 -1.14 0.09 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.38 2.27 0.17 0.00 0.00 -0.56 -4.82 121.76 116.45 3iqe s ALA 77 Ca 0.28 -0.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.06 3iqe s ALA 77 Cb 0.20 -3.16 0.09 0.00 0.00 0.00 0.00 23.12 20.25 3iqe s ALA 77 CO 0.48 -1.68 1.81 -1.35 0.00 0.00 0.00 175.76 175.01 3iqe h PRO 78 N -1.06 0.55 0.65 0.00 0.11 -1.91 -0.21 132.00 130.13 3iqe h PRO 78 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3iqe h PRO 78 Cb 1.25 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.24 3iqe h PRO 78 CO 0.57 0.37 -0.31 0.78 -0.21 0.00 0.00 178.00 179.19 3iqe h GLY 79 N 0.57 -0.90 1.59 -0.55 0.00 -1.84 -2.76 103.07 99.17 3iqe h GLY 79 Ca 0.20 0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.91 3iqe h GLY 79 CO -0.10 -0.33 0.17 -2.55 0.00 0.00 0.00 176.54 173.73 3iqe h PRO 80 N -0.99 0.00 -0.20 4.80 0.11 -1.76 -0.13 132.00 133.83 3iqe h PRO 80 Ca -0.09 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 3iqe h PRO 80 Cb 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 3iqe h PRO 80 CO 0.15 0.00 -0.29 0.77 -0.21 0.00 0.00 178.00 178.42 3iqe h SER 81 N 0.00 0.39 -0.45 -2.05 0.02 -0.97 -0.25 113.55 110.24 3iqe h SER 81 Ca 0.07 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 3iqe h SER 81 Cb 0.40 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3iqe h SER 81 CO -0.00 0.67 -0.09 0.50 -1.14 0.00 0.00 176.83 176.77 3iqe h LYS 82 N 0.34 0.91 -0.61 3.45 1.63 -0.74 -2.47 116.57 119.08 3iqe h LYS 82 Ca 0.05 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.52 3iqe h LYS 82 Cb 0.68 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.22 3iqe h LYS 82 CO 0.05 0.96 0.33 0.00 -3.45 0.00 0.00 179.45 177.34 3iqe h ALA 83 N 1.07 0.78 -0.35 5.00 0.00 -0.79 -1.38 119.26 123.60 3iqe h ALA 83 Ca 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3iqe h ALA 83 Cb 0.61 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iqe h ALA 83 CO 0.04 0.30 0.06 0.00 0.00 0.00 0.00 179.25 179.65 3iqe h ARG 84 N 0.83 0.58 0.16 0.00 3.08 -0.90 0.02 114.38 118.15 3iqe h ARG 84 Ca 0.21 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3iqe h ARG 84 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3iqe h ARG 84 CO -0.03 0.65 -0.22 1.49 -1.07 0.00 0.00 179.97 180.78 3iqe h GLU 85 N 0.42 -0.43 -0.70 0.04 4.81 -1.35 0.10 114.58 117.47 3iqe h GLU 85 Ca 0.11 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3iqe h GLU 85 Cb 0.35 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3iqe h GLU 85 CO 0.01 -0.28 0.26 0.52 -0.73 0.00 0.00 179.01 178.78 3iqe h MET 86 N -0.44 1.05 0.01 1.92 2.86 -1.05 -2.49 114.93 116.79 3iqe h MET 86 Ca 0.01 -0.19 -0.24 0.00 -2.06 0.00 0.00 59.70 57.22 3iqe h MET 86 Cb 0.44 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 31.94 3iqe h MET 86 CO -0.09 0.87 -0.99 -0.07 1.06 0.00 0.00 176.91 177.69 3iqe h LEU 87 N 1.03 0.61 -1.25 1.22 3.38 -0.78 -2.63 115.31 116.89 3iqe h LEU 87 Ca 0.23 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3iqe h LEU 87 Cb 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3iqe h LEU 87 CO -0.02 1.31 0.22 0.00 0.09 0.00 0.00 178.44 180.05 3iqe h ALA 88 N 0.65 1.42 0.00 1.53 0.00 -0.69 -2.56 119.26 119.61 3iqe h ALA 88 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3iqe h ALA 88 Cb 1.64 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3iqe h ALA 88 CO 0.18 0.45 -0.38 -0.25 0.00 0.00 0.00 179.25 179.25 3iqe n ASP 89 N -4.36 0.40 -4.80 0.00 8.00 -0.95 -4.86 116.55 109.99 3iqe n ASP 89 Ca 0.04 -0.02 -0.29 0.00 0.71 0.00 0.00 54.79 55.23 3iqe n ASP 89 Cb 0.14 0.04 0.12 0.00 -0.02 0.00 0.00 41.12 41.41 3iqe n ASP 89 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3iqe s SER 90 N -3.13 3.84 0.01 -2.24 1.04 -0.96 -4.96 113.70 107.30 3iqe s SER 90 Ca 0.11 1.07 0.27 0.00 0.48 0.00 0.00 55.95 57.88 3iqe s SER 90 Cb 0.17 -1.69 1.16 0.00 0.10 0.00 0.00 66.02 65.76 3iqe s SER 90 CO 0.66 -2.35 1.87 -1.84 0.98 0.00 0.00 173.24 172.56 3iqe n GLU 91 N -3.65 0.01 -3.57 4.02 0.28 -1.26 -4.91 120.64 111.56 3iqe n GLU 91 Ca 0.07 0.04 -0.37 0.00 -0.16 0.00 0.00 57.16 56.73 3iqe n GLU 91 Cb 0.58 -1.51 -0.06 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 -3.00 3.61 0.46 -1.84 2.02 -1.26 -5.04 117.35 112.29 3iqe s TYR 92 Ca 0.13 0.78 -0.25 0.00 -0.37 0.00 0.00 57.07 57.36 3iqe s TYR 92 Cb 0.18 -2.26 -0.08 0.00 -0.40 0.00 0.00 41.96 39.40 3iqe s TYR 92 CO 0.50 0.51 1.43 -1.25 -1.57 0.00 0.00 175.55 175.17 3iqe s PRO 93 N -0.50 3.66 -0.04 -1.71 0.04 -1.26 -4.83 135.00 130.36 3iqe s PRO 93 Ca 0.20 2.42 -0.05 0.00 0.04 0.00 0.00 61.00 63.61 3iqe s PRO 93 Cb -0.15 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.76 3iqe s PRO 93 CO 0.09 -0.84 0.13 0.00 0.04 0.00 0.00 177.00 176.42 3iqe s ALA 94 N -1.20 -0.32 -0.03 8.56 0.00 -1.26 -0.70 121.76 126.82 3iqe s ALA 94 Ca 0.61 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.86 3iqe s ALA 94 Cb -0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3iqe s ALA 94 CO 0.56 -0.10 -0.16 0.08 0.00 0.00 0.00 175.76 176.14 3iqe s VAL 95 N -0.29 1.30 -0.22 0.00 1.01 -0.49 -0.49 120.40 121.22 3iqe s VAL 95 Ca -0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 3iqe s VAL 95 Cb -0.03 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3iqe s VAL 95 CO 0.00 0.37 0.00 -0.63 0.00 0.00 0.00 175.10 174.85 3iqe s ILE 96 N -0.17 3.84 -0.27 2.22 -1.09 -0.37 -0.26 121.20 125.10 3iqe s ILE 96 Ca 0.02 -0.34 -0.09 0.00 -2.23 0.00 0.00 60.65 58.01 3iqe s ILE 96 Cb -0.09 -2.75 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 3iqe s ILE 96 CO 0.01 0.40 0.12 -0.63 -1.23 0.00 0.00 174.94 173.61 3iqe s ILE 97 N 1.31 4.60 0.00 2.92 -1.09 0.34 -1.02 121.20 128.26 3iqe s ILE 97 Ca 0.04 -0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 3iqe s ILE 97 Cb -0.15 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 3iqe s ILE 97 CO 0.01 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 3iqe n GLY 98 N 4.97 3.62 0.17 6.18 0.00 -0.83 -1.71 105.19 117.58 3iqe n GLY 98 Ca -0.15 -1.46 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.18 1.13 -0.26 1.61 3.85 -1.26 -0.88 116.55 118.56 3iqe n ASP 99 Ca 0.00 -1.09 0.08 0.00 -0.71 0.00 0.00 54.79 53.08 3iqe n ASP 99 Cb 0.00 -0.00 0.33 0.00 -1.35 0.00 0.00 41.12 40.10 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 0.76 1.71 -0.07 2.12 0.00 -1.80 0.13 119.26 122.10 3iqe h ALA 100 Ca -0.02 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3iqe h ALA 100 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3iqe h ALA 100 CO 0.02 0.11 0.37 -1.35 0.00 0.00 0.00 179.25 178.40 3iqe h PRO 101 N 0.80 0.00 0.00 0.00 0.11 -1.96 -0.31 132.00 130.65 3iqe h PRO 101 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3iqe h PRO 101 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3iqe h PRO 101 CO -0.17 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.40 3iqe h GLY 102 N 0.00 0.00 2.00 -0.55 0.00 -1.10 -2.89 103.07 100.52 3iqe h GLY 102 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3iqe h GLY 102 CO -0.00 0.00 -0.07 1.41 0.00 0.00 0.00 176.54 177.88 3iqe h LEU 103 N 0.00 0.00 -2.18 3.11 3.38 -1.22 -1.69 115.31 116.71 3iqe h LEU 103 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3iqe h LEU 103 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3iqe h LEU 103 CO 0.00 0.07 0.02 0.11 0.09 0.00 0.00 178.44 178.74 3iqe h LYS 104 N 0.00 0.00 0.00 1.13 1.57 -1.73 -2.77 116.57 114.77 3iqe h LYS 104 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iqe h LYS 104 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3iqe h LYS 104 CO 0.01 0.00 -0.10 1.33 -0.57 0.00 0.00 179.45 180.12 3iqe n VAL 105 N -4.26 1.92 0.05 0.50 0.24 -0.66 -4.73 118.33 111.40 3iqe n VAL 105 Ca -0.02 -2.42 -0.12 0.00 -2.04 0.00 0.00 64.34 59.74 3iqe n VAL 105 Cb 0.12 -0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.20 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 0.19 -0.10 -0.10 7.34 3.64 -1.26 0.14 116.57 126.41 3iqe h LYS 106 Ca -0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3iqe h LYS 106 Cb 1.01 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 3iqe h LYS 106 CO 0.00 -0.06 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.61 3iqe h ASP 107 N -0.10 -0.22 -0.84 4.20 3.32 -1.85 -1.62 116.42 119.33 3iqe h ASP 107 Ca 0.02 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.20 3iqe h ASP 107 Cb 0.12 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.71 3iqe h ASP 107 CO -0.04 -0.09 0.49 -0.08 -1.72 0.00 0.00 179.24 177.79 3iqe h GLU 108 N -0.07 0.81 -0.70 3.56 4.81 -1.87 0.51 114.58 121.63 3iqe h GLU 108 Ca 0.06 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3iqe h GLU 108 Cb 0.17 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3iqe h GLU 108 CO -0.15 0.54 0.26 0.52 -0.73 0.00 0.00 179.01 179.45 3iqe h MET 109 N 0.84 1.05 -0.34 1.92 2.86 -0.47 0.14 114.93 120.92 3iqe h MET 109 Ca 0.39 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3iqe h MET 109 Cb 0.32 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3iqe h MET 109 CO -0.23 0.86 0.21 0.93 1.06 0.00 0.00 176.91 179.74 3iqe h GLU 110 N 1.02 0.41 -0.21 1.72 5.08 -0.19 -0.95 114.58 121.47 3iqe h GLU 110 Ca 0.23 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3iqe h GLU 110 Cb 0.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3iqe h GLU 110 CO -0.02 0.27 0.10 1.49 -1.00 0.00 0.00 179.01 179.85 3iqe h GLU 111 N 0.43 0.29 0.00 2.33 4.81 -0.48 -1.35 114.58 120.60 3iqe h GLU 111 Ca 0.13 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3iqe h GLU 111 Cb -0.02 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3iqe h GLU 111 CO -0.05 0.23 0.00 1.04 -0.73 0.00 0.00 179.01 179.50 3iqe n GLN 112 N -4.46 0.10 -1.57 1.92 6.02 0.44 -4.90 117.38 114.93 3iqe n GLN 112 Ca 0.00 0.05 -0.04 0.00 -0.01 0.00 0.00 57.00 57.01 3iqe n GLN 112 Cb 0.11 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.86 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 1.10 0.44 3.92 1.08 0.00 -0.51 -4.76 105.19 106.47 3iqe n GLY 113 Ca 0.08 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.93 4.33 0.63 0.99 1.43 -0.41 -4.78 118.68 119.95 3iqe s LEU 114 Ca 0.00 0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 3iqe s LEU 114 Cb 0.00 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.22 3iqe s LEU 114 CO 0.00 0.12 0.95 -0.83 0.23 0.00 0.00 176.35 176.82 3iqe s GLY 115 N -2.65 1.62 0.06 -3.19 0.00 0.36 -4.43 107.32 99.10 3iqe s GLY 115 Ca 0.36 -0.69 -0.22 0.00 0.00 0.00 0.00 44.72 44.18 3iqe s GLY 115 CO 0.28 -0.37 0.51 -2.52 0.00 0.00 0.00 173.10 171.00 3iqe s TYR 116 N -3.09 -0.41 -0.15 1.90 1.13 0.63 -1.23 117.35 116.13 3iqe s TYR 116 Ca 0.56 0.41 -0.04 0.00 -1.41 0.00 0.00 57.07 56.59 3iqe s TYR 116 Cb -0.11 0.34 0.06 0.00 -1.10 0.00 0.00 41.96 41.15 3iqe s TYR 116 CO 0.46 -0.66 0.10 0.42 -2.51 0.00 0.00 175.55 173.36 3iqe s ILE 117 N -2.61 -0.11 -0.25 -3.49 1.01 -0.19 -1.49 121.20 114.07 3iqe s ILE 117 Ca -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 3iqe s ILE 117 Cb -0.00 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.96 3iqe s ILE 117 CO -0.03 -0.19 -0.01 -0.76 0.00 0.00 0.00 174.94 173.95 3iqe s LEU 118 N 2.16 3.24 -0.46 2.97 1.43 0.15 -1.96 118.68 126.19 3iqe s LEU 118 Ca 0.03 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.43 3iqe s LEU 118 Cb -0.15 -1.77 0.08 0.00 0.03 0.00 0.00 46.19 44.38 3iqe s LEU 118 CO -0.08 -0.09 0.37 -0.69 0.23 0.00 0.00 176.35 176.09 3iqe s VAL 119 N 1.46 4.95 0.28 -1.59 1.01 -0.06 0.30 120.40 126.74 3iqe s VAL 119 Ca 0.04 -1.21 0.06 0.00 0.00 0.00 0.00 61.98 60.87 3iqe s VAL 119 Cb -0.16 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.24 3iqe s VAL 119 CO -0.02 -0.59 1.66 0.11 0.00 0.00 0.00 175.10 176.26 3iqe h LYS 120 N 8.67 0.25 0.00 2.72 1.57 -1.50 -2.35 116.57 125.93 3iqe h LYS 120 Ca -0.27 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3iqe h LYS 120 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3iqe h LYS 120 CO 0.86 0.66 0.00 -0.35 -0.57 0.00 0.00 179.45 180.06 3iqe n PRO 121 N -3.99 0.64 -2.18 3.15 -0.05 -1.26 -4.34 135.00 126.96 3iqe n PRO 121 Ca -0.02 0.02 -0.42 0.00 -0.05 0.00 0.00 63.50 63.03 3iqe n PRO 121 Cb 0.51 -1.50 -0.00 0.00 -0.05 0.00 0.00 33.50 32.46 3iqe n PRO 121 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 3iqe n ASP 122 N -1.14 4.41 -4.77 3.54 -0.08 -0.88 -4.39 116.55 113.24 3iqe n ASP 122 Ca 0.17 -2.88 -0.39 0.00 -1.51 0.00 0.00 54.79 50.18 3iqe n ASP 122 Cb 0.15 -1.70 -0.06 0.00 2.34 0.00 0.00 41.12 41.85 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 3.89 3.37 0.40 -1.67 0.00 -1.26 -4.75 121.76 121.74 3iqe s ALA 123 Ca 0.51 0.44 -0.27 0.00 0.00 0.00 0.00 51.96 52.65 3iqe s ALA 123 Cb 0.08 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 20.05 3iqe s ALA 123 CO 0.01 0.25 1.46 1.41 0.00 0.00 0.00 175.76 178.89 3iqe s MET 124 N -1.41 3.98 0.72 0.00 1.75 -1.26 -4.91 119.30 118.17 3iqe s MET 124 Ca 0.41 2.50 -0.01 0.00 -1.25 0.00 0.00 55.69 57.34 3iqe s MET 124 Cb -0.22 -2.87 0.13 0.00 2.84 0.00 0.00 34.83 34.70 3iqe s MET 124 CO 0.27 -0.61 0.99 -0.48 -0.65 0.00 0.00 175.02 174.54 3iqe s LEU 125 N -2.29 2.98 -1.28 4.11 0.05 -1.26 -4.52 118.68 116.46 3iqe s LEU 125 Ca 0.55 -0.38 -0.13 0.00 0.05 0.00 0.00 54.13 54.22 3iqe s LEU 125 Cb -0.45 -1.96 0.13 0.00 -2.05 0.00 0.00 46.19 41.86 3iqe s LEU 125 CO 0.60 -1.86 1.72 0.61 -0.55 0.00 0.00 176.35 176.88 3iqe n GLY 126 N -2.83 3.77 3.18 -3.48 0.00 -1.26 -4.87 105.19 99.70 3iqe n GLY 126 Ca 0.15 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 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 5.68 4.53 -2.73 4.61 0.00 -1.26 -4.34 120.51 127.00 3iqe n ALA 127 Ca 0.42 -3.98 -0.28 0.00 0.00 0.00 0.00 53.44 49.60 3iqe n ALA 127 Cb 0.41 -3.43 -0.16 0.00 0.00 0.00 0.00 19.45 16.27 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 3.00 2.01 0.33 0.00 1.81 -1.26 -4.93 118.95 119.90 3iqe s ARG 128 Ca 0.48 -0.74 0.06 0.00 -1.72 0.00 0.00 55.73 53.82 3iqe s ARG 128 Cb 0.07 -1.77 0.74 0.00 -0.45 0.00 0.00 34.95 33.54 3iqe s ARG 128 CO 0.00 0.34 1.87 -0.09 -0.68 0.00 0.00 175.30 176.74 3iqe h ARG 129 N 6.03 0.76 0.00 3.54 2.43 -1.90 0.16 114.38 125.41 3iqe h ARG 129 Ca -0.34 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3iqe h ARG 129 Cb 1.17 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3iqe h ARG 129 CO 0.48 0.50 0.00 0.93 -1.51 0.00 0.00 179.97 180.37 3iqe h GLU 130 N 0.79 0.00 0.00 0.20 3.07 -1.97 -3.34 114.58 113.33 3iqe h GLU 130 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 3iqe h GLU 130 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3iqe h GLU 130 CO -0.22 0.00 -0.60 0.34 -1.40 0.00 0.00 179.01 177.13 3iqe n PHE 131 N -2.61 0.00 -2.91 4.33 7.35 -0.63 -5.01 117.46 117.98 3iqe n PHE 131 Ca -0.02 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.24 3iqe n PHE 131 Cb 0.05 0.17 -0.04 0.00 0.35 0.00 0.00 39.48 40.01 3iqe n PHE 131 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iqe s LEU 132 N -5.42 4.57 0.00 -2.13 2.96 0.48 -4.83 118.68 114.31 3iqe s LEU 132 Ca 0.00 -1.07 0.05 0.00 -0.22 0.00 0.00 54.13 52.89 3iqe s LEU 132 Cb 0.00 -2.40 0.05 0.00 0.50 0.00 0.00 46.19 44.34 3iqe s LEU 132 CO 0.00 -1.38 0.40 -0.90 -1.32 0.00 0.00 176.35 173.15 3iqe n ASP 133 N 7.45 2.37 -0.23 3.68 5.75 -1.26 -4.66 116.55 129.64 3iqe n ASP 133 Ca -0.05 -2.55 -0.01 0.00 -0.01 0.00 0.00 54.79 52.17 3iqe n ASP 133 Cb 0.45 -0.09 0.19 0.00 -1.03 0.00 0.00 41.12 40.64 3iqe n ASP 133 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3iqe h PRO 134 N 0.00 1.03 -0.24 0.11 0.11 -1.99 -1.22 132.00 129.79 3iqe h PRO 134 Ca -0.28 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 3iqe h PRO 134 Cb 1.07 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3iqe h PRO 134 CO 0.44 0.75 0.07 0.28 -0.21 0.00 0.00 178.00 179.33 3iqe h VAL 135 N 1.04 1.20 -0.63 3.15 2.07 -1.98 -0.82 116.25 120.27 3iqe h VAL 135 Ca 0.26 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3iqe h VAL 135 Cb 0.01 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3iqe h VAL 135 CO -0.04 0.20 0.21 -0.08 0.02 0.00 0.00 177.57 177.88 3iqe h GLU 136 N 0.22 0.95 -0.60 1.57 4.57 -1.79 -0.91 114.58 118.59 3iqe h GLU 136 Ca 0.08 -0.18 0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3iqe h GLU 136 Cb 0.25 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 3iqe h GLU 136 CO -0.00 0.81 0.35 1.98 -1.18 0.00 0.00 179.01 180.97 3iqe h MET 137 N 0.93 0.66 -0.56 1.92 4.05 -0.84 -0.92 114.93 120.16 3iqe h MET 137 Ca 0.21 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.49 3iqe h MET 137 Cb 0.24 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 3iqe h MET 137 CO -0.01 0.43 -0.02 0.00 0.23 0.00 0.00 176.91 177.54 3iqe h ALA 138 N 1.28 0.76 -0.58 0.39 0.00 -0.60 -2.28 119.26 118.23 3iqe h ALA 138 Ca 0.25 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3iqe h ALA 138 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3iqe h ALA 138 CO -0.13 0.61 0.12 0.82 0.00 0.00 0.00 179.25 180.68 3iqe h ILE 139 N 0.90 1.25 -0.14 0.00 2.04 -0.87 0.65 117.51 121.34 3iqe h ILE 139 Ca 0.16 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 3iqe h ILE 139 Cb 0.58 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3iqe h ILE 139 CO 0.03 0.35 0.09 0.22 0.00 0.00 0.00 178.15 178.84 3iqe h TYR 140 N 0.85 0.18 -0.45 1.37 3.20 -1.10 -1.86 116.97 119.17 3iqe h TYR 140 Ca 0.18 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3iqe h TYR 140 Cb 0.38 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3iqe h TYR 140 CO 0.03 0.14 0.24 -0.91 -1.64 0.00 0.00 178.16 176.03 3iqe h ASN 141 N 0.17 0.54 -0.21 -2.11 2.35 -1.00 -0.32 115.58 115.01 3iqe h ASN 141 Ca 0.05 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3iqe h ASN 141 Cb 0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3iqe h ASN 141 CO -0.01 0.44 0.10 0.00 -1.65 0.00 0.00 177.43 176.31 3iqe h ALA 142 N 1.65 0.27 -0.44 -0.83 0.00 -0.28 0.98 119.26 120.62 3iqe h ALA 142 Ca 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3iqe h ALA 142 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3iqe h ALA 142 CO -0.03 -0.16 0.14 -0.44 0.00 0.00 0.00 179.25 178.77 3iqe h ASP 143 N 0.20 0.63 -0.34 0.00 3.32 -0.80 -1.78 116.42 117.65 3iqe h ASP 143 Ca 0.07 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3iqe h ASP 143 Cb 0.14 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3iqe h ASP 143 CO -0.01 0.66 0.21 0.25 -1.72 0.00 0.00 179.24 178.63 3iqe h LEU 144 N 0.56 0.41 -0.59 1.55 5.85 -1.01 -0.75 115.31 121.33 3iqe h LEU 144 Ca 0.14 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3iqe h LEU 144 Cb 0.25 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3iqe h LEU 144 CO -0.01 0.34 0.30 -0.03 -0.34 0.00 0.00 178.44 178.70 3iqe h MET 145 N 0.44 0.54 -0.67 1.25 4.05 -0.71 0.40 114.93 120.22 3iqe h MET 145 Ca 0.12 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.54 3iqe h MET 145 Cb 0.01 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 3iqe h MET 145 CO -0.02 0.36 0.41 -0.22 0.23 0.00 0.00 176.91 177.67 3iqe h LYS 146 N 0.55 0.78 -0.04 0.39 1.63 -1.05 -0.64 116.57 118.20 3iqe h LYS 146 Ca 0.27 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3iqe h LYS 146 Cb 0.21 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3iqe h LYS 146 CO -0.20 0.52 0.02 0.28 -3.45 0.00 0.00 179.45 176.62 3iqe h VAL 147 N 0.81 1.10 -0.70 2.00 2.07 -0.31 0.54 116.25 121.76 3iqe h VAL 147 Ca 0.27 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3iqe h VAL 147 Cb 0.03 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3iqe h VAL 147 CO -0.11 0.08 0.39 -0.07 0.02 0.00 0.00 177.57 177.88 3iqe h LEU 148 N -0.04 0.87 0.40 2.57 3.38 -0.81 -2.42 115.31 119.24 3iqe h LEU 148 Ca 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3iqe h LEU 148 Cb 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3iqe h LEU 148 CO -0.00 0.71 -0.19 0.00 0.09 0.00 0.00 178.44 179.05 3iqe h ALA 149 N 1.19 -0.53 0.00 1.53 0.00 -1.06 -2.18 119.26 118.21 3iqe h ALA 149 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3iqe h ALA 149 Cb 0.03 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3iqe h ALA 149 CO -0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 179.25 178.64 3iqe h ALA 150 N -1.08 1.35 0.00 0.00 0.00 -0.92 -1.06 119.26 117.54 3iqe h ALA 150 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iqe h ALA 150 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iqe h ALA 150 CO 0.09 0.08 -0.19 1.79 0.00 0.00 0.00 179.25 181.02 3iqe h THR 151 N 0.00 0.00 0.00 0.00 1.35 -1.57 -3.44 112.91 109.25 3iqe h THR 151 Ca -0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3iqe h THR 151 Cb 0.19 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3iqe h THR 151 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3iqe n GLY 152 N 1.31 0.68 0.28 5.82 0.00 -0.40 -4.97 105.19 107.91 3iqe n GLY 152 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 0.65 0.00 1.61 2.07 -1.63 -2.35 116.25 116.59 3iqe h VAL 153 Ca 0.00 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3iqe h VAL 153 Cb 0.00 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3iqe h VAL 153 CO 0.00 0.08 -0.41 -0.26 0.02 0.00 0.00 177.57 177.00 3iqe h PHE 154 N 0.45 0.00 -0.65 1.57 0.05 -1.68 -1.99 116.94 114.69 3iqe h PHE 154 Ca 0.43 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.21 3iqe h PHE 154 Cb 0.66 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.58 3iqe h PHE 154 CO -0.16 0.41 0.38 -0.09 -0.18 0.00 0.00 178.31 178.67 3iqe h ARG 155 N 0.00 0.89 -0.82 1.51 2.43 -1.72 0.13 114.38 116.79 3iqe h ARG 155 Ca -0.00 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3iqe h ARG 155 Cb 0.91 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 3iqe h ARG 155 CO 0.05 0.65 0.53 0.28 -1.51 0.00 0.00 179.97 179.97 3iqe h VAL 156 N 0.88 1.14 0.17 0.20 2.07 -1.19 0.39 116.25 119.90 3iqe h VAL 156 Ca 0.23 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3iqe h VAL 156 Cb 0.00 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3iqe h VAL 156 CO -0.04 0.19 -0.08 0.58 0.02 0.00 0.00 177.57 178.24 3iqe h VAL 157 N 1.03 0.91 -0.62 2.57 2.07 -1.21 -2.24 116.25 118.77 3iqe h VAL 157 Ca 0.33 -0.36 0.12 0.00 0.82 0.00 0.00 66.70 67.60 3iqe h VAL 157 Cb -0.00 1.13 -0.12 0.00 -1.52 0.00 0.00 31.29 30.78 3iqe h VAL 157 CO -0.11 0.08 -0.25 -0.61 0.02 0.00 0.00 177.57 176.70 3iqe h GLN 158 N -0.40 -0.09 -0.40 1.57 4.15 -0.36 -2.17 115.11 117.42 3iqe h GLN 158 Ca -0.02 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 3iqe h GLN 158 Cb 0.31 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 3iqe h GLN 158 CO 0.04 -0.06 -0.12 0.93 -1.93 0.00 0.00 178.83 177.69 3iqe h GLU 159 N -0.09 0.71 -0.53 1.69 5.08 -0.04 -1.06 114.58 120.34 3iqe h GLU 159 Ca 0.27 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3iqe h GLU 159 Cb 0.52 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3iqe h GLU 159 CO -0.68 0.80 0.16 0.00 -1.00 0.00 0.00 179.01 178.30 3iqe h ALA 160 N 1.23 0.69 -0.45 3.43 0.00 -1.02 -1.96 119.26 121.18 3iqe h ALA 160 Ca 0.11 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3iqe h ALA 160 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3iqe h ALA 160 CO 0.04 0.35 -0.25 0.74 0.00 0.00 0.00 179.25 180.13 3iqe h PHE 161 N 0.73 1.09 -0.62 0.00 -1.00 -1.15 -1.67 116.94 114.33 3iqe h PHE 161 Ca 0.17 -0.27 -0.06 0.00 2.81 0.00 0.00 57.97 60.62 3iqe h PHE 161 Cb 0.28 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 3iqe h PHE 161 CO 0.02 1.09 0.15 -0.44 -1.61 0.00 0.00 178.31 177.51 3iqe h ASP 162 N 0.81 0.91 -0.51 2.17 3.45 -1.07 0.14 116.42 122.32 3iqe h ASP 162 Ca 0.10 -0.18 -0.08 0.00 0.43 0.00 0.00 57.03 57.30 3iqe h ASP 162 Cb 0.82 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.34 3iqe h ASP 162 CO 0.07 0.88 0.02 -0.33 -1.57 0.00 0.00 179.24 178.31 3iqe h GLU 163 N 0.92 0.89 -0.63 3.56 5.08 -1.28 -2.00 114.58 121.12 3iqe h GLU 163 Ca 0.20 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3iqe h GLU 163 Cb 0.34 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3iqe h GLU 163 CO 0.00 0.91 0.42 1.25 -1.00 0.00 0.00 179.01 180.59 3iqe h LEU 164 N 0.76 0.72 -0.81 1.33 5.85 -0.43 -2.08 115.31 120.65 3iqe h LEU 164 Ca 0.15 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3iqe h LEU 164 Cb 0.50 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3iqe h LEU 164 CO 0.02 0.53 0.21 0.40 -0.34 0.00 0.00 178.44 179.26 3iqe h ILE 165 N 0.85 1.26 -0.25 4.05 2.04 -0.66 0.15 117.51 124.95 3iqe h ILE 165 Ca 0.23 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3iqe h ILE 165 Cb -0.10 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3iqe h ILE 165 CO -0.05 0.35 0.16 -0.33 0.00 0.00 0.00 178.15 178.28 3iqe h GLU 166 N 1.05 0.34 -0.86 2.37 4.39 -1.06 -1.07 114.58 119.75 3iqe h GLU 166 Ca 0.23 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.97 3iqe h GLU 166 Cb 0.31 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 3iqe h GLU 166 CO -0.01 0.24 0.53 0.87 -1.16 0.00 0.00 179.01 179.49 3iqe h LYS 167 N 0.33 0.94 -0.82 2.33 1.79 -0.68 -2.05 116.57 118.42 3iqe h LYS 167 Ca 0.09 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.55 3iqe h LYS 167 Cb -0.02 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 30.37 3iqe h LYS 167 CO -0.02 0.62 0.51 0.00 -1.08 0.00 0.00 179.45 179.49 3iqe h ALA 168 N 1.40 1.10 -0.12 3.86 0.00 -0.33 -2.28 119.26 122.90 3iqe h ALA 168 Ca 0.37 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 3iqe h ALA 168 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3iqe h ALA 168 CO -0.17 0.30 -0.47 0.87 0.00 0.00 0.00 179.25 179.77 3iqe h LYS 169 N 0.97 0.31 -0.96 0.00 1.57 -0.58 -1.96 116.57 115.93 3iqe h LYS 169 Ca 0.34 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3iqe h LYS 169 Cb 0.09 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3iqe h LYS 169 CO -0.14 0.72 0.05 0.39 -0.57 0.00 0.00 179.45 179.90 3iqe n GLU 170 N -3.98 1.51 -1.02 3.15 -0.58 -0.83 -3.78 120.64 115.11 3iqe n GLU 170 Ca -0.02 -0.55 -0.01 0.00 -0.42 0.00 0.00 57.16 56.16 3iqe n GLU 170 Cb 0.53 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 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 0.15 -0.15 -2.79 1.62 4.64 -0.74 -4.91 116.55 114.37 3iqe n ASP 171 Ca 0.07 -0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.48 3iqe n ASP 171 Cb 0.53 -0.04 0.01 0.00 -1.04 0.00 0.00 41.12 40.58 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 -0.06 0.34 -0.73 -0.67 2.02 -1.15 -5.06 118.70 113.39 3iqe s GLU 172 Ca 0.01 -0.21 -0.22 0.00 0.02 0.00 0.00 54.97 54.57 3iqe s GLU 172 Cb -0.00 0.02 0.08 0.00 0.10 0.00 0.00 34.13 34.33 3iqe s GLU 172 CO 0.02 -0.45 1.01 0.42 0.02 0.00 0.00 175.26 176.27 3iqe s ILE 173 N 1.56 4.41 0.63 -1.63 1.01 -1.26 -4.80 121.20 121.12 3iqe s ILE 173 Ca 0.19 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 3iqe s ILE 173 Cb 0.05 -4.71 0.02 0.00 0.01 0.00 0.00 42.46 37.83 3iqe s ILE 173 CO -0.12 -1.47 0.95 -0.94 0.00 0.00 0.00 174.94 173.36 3iqe s SER 174 N 3.71 5.44 0.53 3.58 1.04 -1.26 -4.93 113.70 121.82 3iqe s SER 174 Ca 0.25 0.73 0.21 0.00 0.48 0.00 0.00 55.95 57.62 3iqe s SER 174 Cb -0.14 -1.64 1.43 0.00 0.10 0.00 0.00 66.02 65.77 3iqe s SER 174 CO 0.05 -1.19 2.16 -0.33 0.98 0.00 0.00 173.24 174.91 3iqe h GLU 175 N -0.32 0.00 0.00 4.02 5.08 -1.96 0.11 114.58 121.52 3iqe h GLU 175 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3iqe h GLU 175 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3iqe h GLU 175 CO 0.61 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.74 3iqe n ASN 176 N -4.24 0.26 0.14 1.42 3.02 -1.26 -2.68 115.26 111.91 3iqe n ASN 176 Ca -0.03 0.55 0.09 0.00 -0.03 0.00 0.00 54.58 55.16 3iqe n ASN 176 Cb 0.11 -0.61 0.05 0.00 -0.61 0.00 0.00 39.78 38.73 3iqe n ASN 176 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3iqe h ASP 177 N 0.00 0.00 -3.83 6.41 3.45 -1.12 -3.48 116.42 117.85 3iqe h ASP 177 Ca 0.00 0.00 -0.50 0.00 0.43 0.00 0.00 57.03 56.96 3iqe h ASP 177 Cb 0.40 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.19 3iqe h ASP 177 CO 0.00 0.15 0.45 -0.76 -1.57 0.00 0.00 179.24 177.52 3iqe s LEU 178 N -5.89 4.49 0.47 1.55 1.43 -1.09 -4.86 118.68 114.78 3iqe s LEU 178 Ca 0.03 2.21 -0.24 0.00 -1.03 0.00 0.00 54.13 55.09 3iqe s LEU 178 Cb 0.07 -3.72 -0.07 0.00 0.03 0.00 0.00 46.19 42.50 3iqe s LEU 178 CO 0.74 -0.18 1.32 -2.16 0.23 0.00 0.00 176.35 176.30 3iqe s PRO 179 N -1.60 3.58 -0.49 1.29 0.04 -1.26 -4.86 135.00 131.70 3iqe s PRO 179 Ca 0.46 2.16 0.05 0.00 0.04 0.00 0.00 61.00 63.71 3iqe s PRO 179 Cb -0.30 -2.49 0.18 0.00 0.04 0.00 0.00 34.50 31.93 3iqe s PRO 179 CO 0.38 -0.81 0.42 1.63 0.04 0.00 0.00 177.00 178.66 3iqe n LYS 180 N -0.46 0.75 -4.91 4.56 4.01 -1.23 -0.26 118.16 120.62 3iqe n LYS 180 Ca 0.07 -3.56 -0.33 0.00 -0.51 0.00 0.00 58.31 53.98 3iqe n LYS 180 Cb 0.45 -1.79 -0.13 0.00 -0.51 0.00 0.00 35.03 33.04 3iqe n LYS 180 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3iqe s LEU 181 N -0.57 2.69 -0.21 -0.35 1.43 -0.56 -4.99 118.68 116.11 3iqe s LEU 181 Ca 0.32 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3iqe s LEU 181 Cb 0.04 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.75 3iqe s LEU 181 CO -0.17 0.34 -0.16 -0.69 0.23 0.00 0.00 176.35 175.90 3iqe s VAL 182 N -0.73 2.20 -0.20 -1.59 1.01 -1.26 -0.68 120.40 119.15 3iqe s VAL 182 Ca 0.12 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 3iqe s VAL 182 Cb -0.11 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3iqe s VAL 182 CO 0.01 0.33 0.13 -0.63 0.00 0.00 0.00 175.10 174.94 3iqe s ILE 183 N 1.24 5.39 0.32 2.22 1.01 0.15 -4.94 121.20 126.59 3iqe s ILE 183 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.83 3iqe s ILE 183 Cb -0.15 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 38.86 3iqe s ILE 183 CO -0.10 0.44 0.44 -0.90 0.00 0.00 0.00 174.94 174.83 3iqe n ASP 184 N 3.50 -1.22 -0.34 3.58 5.68 -1.26 -1.31 116.55 125.18 3iqe n ASP 184 Ca -0.16 -2.78 0.07 0.00 -0.50 0.00 0.00 54.79 51.43 3iqe n ASP 184 Cb 0.52 2.29 0.16 0.00 -1.14 0.00 0.00 41.12 42.96 3iqe n ASP 184 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3iqe n ARG 185 N -0.54 -0.08 0.01 0.11 0.63 -1.26 -0.23 116.66 115.30 3iqe n ARG 185 Ca 0.01 1.47 0.09 0.00 -0.92 0.00 0.00 57.85 58.50 3iqe n ARG 185 Cb 0.54 -2.23 0.38 0.00 0.45 0.00 0.00 32.46 31.61 3iqe n ARG 185 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3iqe n ASN 186 N -5.52 0.07 -0.14 6.15 3.02 -1.26 -2.23 115.26 115.34 3iqe n ASN 186 Ca 0.17 0.52 0.15 0.00 -0.03 0.00 0.00 54.58 55.38 3iqe n ASN 186 Cb 0.53 -0.53 0.51 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.81 -0.13 3.41 2.02 -0.97 -2.08 112.91 115.97 3iqe h THR 187 Ca 0.00 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.08 3iqe h THR 187 Cb 0.31 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3iqe h THR 187 CO 0.00 0.07 0.10 -0.07 0.37 0.00 0.00 175.52 175.99 3iqe h LEU 188 N 0.39 0.00 -0.77 2.58 3.38 -1.59 -2.74 115.31 116.56 3iqe h LEU 188 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 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 -0.11 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.35 3iqe h LEU 189 N 0.00 0.00 -3.01 1.67 3.38 -1.59 -2.54 115.31 113.22 3iqe h LEU 189 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iqe h LEU 189 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3iqe h LEU 189 CO -0.00 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.69 3iqe n GLU 190 N -2.41 2.92 -4.33 1.13 0.28 -1.03 -5.00 120.64 112.21 3iqe n GLU 190 Ca 0.02 -2.33 -0.30 0.00 -0.16 0.00 0.00 57.16 54.39 3iqe n GLU 190 Cb 0.26 -1.47 -0.04 0.00 1.43 0.00 0.00 31.44 31.62 3iqe n GLU 190 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3iqe n ARG 191 N 0.20 0.72 -1.49 3.44 1.74 -0.96 -5.05 116.66 115.27 3iqe n ARG 191 Ca 0.15 -3.61 -0.02 0.00 -0.77 0.00 0.00 57.85 53.60 3iqe n ARG 191 Cb 0.59 0.73 0.09 0.00 -1.02 0.00 0.00 32.46 32.85 3iqe n ARG 191 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3iqe n GLU 192 N -1.50 1.62 -0.02 5.56 4.07 -1.26 -4.89 120.64 124.22 3iqe n GLU 192 Ca -0.13 -3.18 -0.10 0.00 -0.06 0.00 0.00 57.16 53.69 3iqe n GLU 192 Cb 0.64 -1.33 -0.04 0.00 -0.06 0.00 0.00 31.44 30.65 3iqe n GLU 192 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3iqe h GLU 193 N 1.50 0.20 -5.25 5.31 4.57 -1.97 -3.43 114.58 115.51 3iqe h GLU 193 Ca -0.00 -0.01 -0.62 0.00 -1.18 0.00 0.00 59.36 57.54 3iqe h GLU 193 Cb 1.40 -0.04 -0.18 0.00 -0.16 0.00 0.00 28.75 29.76 3iqe h GLU 193 CO 0.22 0.13 -0.59 -0.06 -1.18 0.00 0.00 179.01 177.53 3iqe s PHE 194 N -6.18 3.19 0.20 0.92 0.08 -1.26 -4.59 117.98 110.33 3iqe s PHE 194 Ca -0.13 -0.05 -0.02 0.00 0.12 0.00 0.00 56.93 56.85 3iqe s PHE 194 Cb 0.08 -2.07 0.13 0.00 -0.57 0.00 0.00 43.02 40.59 3iqe s PHE 194 CO 0.68 0.07 1.51 1.49 -0.10 0.00 0.00 175.22 178.88 3iqe h GLU 195 N 6.85 0.53 -5.31 0.44 4.81 -1.84 -3.43 114.58 116.61 3iqe h GLU 195 Ca -0.36 -0.33 -0.61 0.00 -0.13 0.00 0.00 59.36 57.94 3iqe h GLU 195 Cb 1.17 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.47 3iqe h GLU 195 CO 0.68 0.94 -0.33 1.21 -0.73 0.00 0.00 179.01 180.77 3iqe s ASN 196 N -6.92 6.32 0.40 1.04 2.47 -1.26 -4.97 114.94 112.02 3iqe s ASN 196 Ca -0.07 0.37 0.06 0.00 0.42 0.00 0.00 52.86 53.64 3iqe s ASN 196 Cb 0.11 -2.18 0.81 0.00 -1.45 0.00 0.00 41.25 38.54 3iqe s ASN 196 CO 0.84 0.01 2.05 1.55 -3.72 0.00 0.00 177.10 177.82 3iqe h PRO 197 N 7.30 0.61 0.00 0.43 0.13 -2.00 -1.75 132.00 136.73 3iqe h PRO 197 Ca -0.38 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 3iqe h PRO 197 Cb 1.16 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3iqe h PRO 197 CO 0.70 0.41 -0.61 1.88 -0.23 0.00 0.00 178.00 180.15 3iqe h TYR 198 N 0.63 0.00 -0.58 1.56 0.05 -1.98 -0.94 116.97 115.71 3iqe h TYR 198 Ca 0.17 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.92 3iqe h TYR 198 Cb -0.06 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3iqe h TYR 198 CO -0.00 0.61 0.22 0.00 -1.05 0.00 0.00 178.16 177.94 3iqe h ALA 199 N 1.39 0.75 -0.42 3.88 0.00 -1.65 -0.40 119.26 122.82 3iqe h ALA 199 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3iqe h ALA 199 Cb 1.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3iqe h ALA 199 CO 0.08 0.38 0.19 1.98 0.00 0.00 0.00 179.25 181.87 3iqe h MET 200 N 0.80 0.61 -0.05 0.00 1.85 -0.74 -1.13 114.93 116.27 3iqe h MET 200 Ca 0.19 -0.10 -0.14 0.00 -0.61 0.00 0.00 59.70 59.05 3iqe h MET 200 Cb 0.21 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 3iqe h MET 200 CO -0.01 0.54 -0.60 -0.39 -0.40 0.00 0.00 176.91 176.05 3iqe h VAL 201 N 0.53 1.40 -0.71 -5.77 -1.51 -1.06 -1.04 116.25 108.08 3iqe h VAL 201 Ca 0.14 -1.99 -0.07 0.00 -1.23 0.00 0.00 66.70 63.55 3iqe h VAL 201 Cb 0.14 2.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.29 3iqe h VAL 201 CO -0.02 0.58 0.17 0.11 -1.23 0.00 0.00 177.57 177.18 3iqe h LYS 202 N 0.14 1.14 -0.11 5.19 1.57 -0.94 -1.21 116.57 122.35 3iqe h LYS 202 Ca -0.01 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 3iqe h LYS 202 Cb 1.09 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3iqe h LYS 202 CO 0.09 1.01 -0.28 0.00 -0.57 0.00 0.00 179.45 179.70 3iqe h ALA 203 N 1.09 1.34 -0.29 3.86 0.00 -0.78 -0.90 119.26 123.57 3iqe h ALA 203 Ca 0.22 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3iqe h ALA 203 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3iqe h ALA 203 CO 0.00 0.46 -0.06 0.52 0.00 0.00 0.00 179.25 180.17 3iqe h MET 204 N 0.17 0.55 -0.76 0.00 2.86 -0.95 -2.13 114.93 114.68 3iqe h MET 204 Ca 0.03 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3iqe h MET 204 Cb 0.59 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 3iqe h MET 204 CO 0.04 0.74 0.38 0.00 1.06 0.00 0.00 176.91 179.14 3iqe h ALA 205 N 0.79 0.98 -0.61 6.32 0.00 -0.79 -0.21 119.26 125.74 3iqe h ALA 205 Ca 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3iqe h ALA 205 Cb 0.53 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3iqe h ALA 205 CO 0.03 0.52 0.13 0.00 0.00 0.00 0.00 179.25 179.93 3iqe h ALA 206 N 1.20 1.08 -0.28 0.00 0.00 -1.00 -1.25 119.26 119.01 3iqe h ALA 206 Ca 0.26 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3iqe h ALA 206 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iqe h ALA 206 CO -0.04 0.61 -0.39 -0.07 0.00 0.00 0.00 179.25 179.36 3iqe h LEU 207 N 0.92 0.69 -0.18 0.00 3.38 -0.87 -0.61 115.31 118.64 3iqe h LEU 207 Ca 0.19 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3iqe h LEU 207 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3iqe h LEU 207 CO 0.00 1.00 0.08 -0.08 0.09 0.00 0.00 178.44 179.54 3iqe h GLU 208 N 0.54 0.26 -0.71 1.13 4.57 -0.79 -0.27 114.58 119.31 3iqe h GLU 208 Ca 0.05 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3iqe h GLU 208 Cb 0.91 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.42 3iqe h GLU 208 CO 0.08 0.30 0.42 0.82 -1.18 0.00 0.00 179.01 179.46 3iqe h ILE 209 N 0.15 1.21 -0.40 2.32 2.04 -1.11 -1.87 117.51 119.85 3iqe h ILE 209 Ca 0.06 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.47 3iqe h ILE 209 Cb 0.13 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 3iqe h ILE 209 CO -0.01 0.22 0.24 0.00 0.00 0.00 0.00 178.15 178.60 3iqe h ALA 210 N 1.22 0.51 -0.64 1.87 0.00 -0.98 -0.47 119.26 120.77 3iqe h ALA 210 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3iqe h ALA 210 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3iqe h ALA 210 CO -0.05 -0.08 0.40 1.49 0.00 0.00 0.00 179.25 181.02 3iqe h GLU 211 N 0.50 0.86 0.00 0.00 4.81 -0.88 -2.75 114.58 117.12 3iqe h GLU 211 Ca 0.16 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3iqe h GLU 211 Cb -0.01 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3iqe h GLU 211 CO -0.07 0.60 -0.19 -0.91 -0.73 0.00 0.00 179.01 177.72 3iqe h ASN 212 N 0.87 0.00 -1.00 1.04 2.35 -0.78 -2.60 115.58 115.46 3iqe h ASN 212 Ca 0.23 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.11 3iqe h ASN 212 Cb -0.05 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.23 3iqe h ASN 212 CO -0.05 0.19 0.63 0.58 -1.65 0.00 0.00 177.43 177.14 3iqe h VAL 213 N 0.00 0.90 -0.53 2.81 2.07 -0.78 -2.86 116.25 117.86 3iqe h VAL 213 Ca -0.00 -0.34 0.10 0.00 0.82 0.00 0.00 66.70 67.29 3iqe h VAL 213 Cb 0.45 -0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 29.96 3iqe h VAL 213 CO 0.02 0.18 -0.25 0.00 0.02 0.00 0.00 177.57 177.55 3iqe h ALA 214 N 1.55 0.12 -0.80 1.67 0.00 -1.55 -0.50 119.26 119.75 3iqe h ALA 214 Ca 0.50 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.58 3iqe h ALA 214 Cb 0.52 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3iqe h ALA 214 CO -0.27 -0.58 0.44 -0.44 0.00 0.00 0.00 179.25 178.40 3iqe h ASP 215 N -0.12 0.99 -0.53 0.00 3.45 -1.67 -0.47 116.42 118.07 3iqe h ASP 215 Ca 0.24 -0.10 -0.07 0.00 0.43 0.00 0.00 57.03 57.53 3iqe h ASP 215 Cb 0.50 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 3iqe h ASP 215 CO -0.61 0.80 0.05 0.58 -1.57 0.00 0.00 179.24 178.49 3iqe h VAL 216 N 1.11 1.26 -0.70 -1.35 2.07 -1.30 -0.46 116.25 116.87 3iqe h VAL 216 Ca 0.28 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 3iqe h VAL 216 Cb 0.03 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3iqe h VAL 216 CO -0.05 0.37 0.31 0.28 0.02 0.00 0.00 177.57 178.50 3iqe h SER 217 N 0.79 0.93 -0.62 0.57 0.02 -0.73 -1.77 113.55 112.75 3iqe h SER 217 Ca 0.16 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 3iqe h SER 217 Cb 0.47 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 3iqe h SER 217 CO 0.02 0.83 0.10 0.58 -1.14 0.00 0.00 176.83 177.21 3iqe h VAL 218 N 0.98 1.26 -0.18 2.27 2.07 -0.80 -1.03 116.25 120.82 3iqe h VAL 218 Ca 0.24 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3iqe h VAL 218 Cb 0.16 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3iqe h VAL 218 CO -0.03 0.38 0.09 -0.08 0.02 0.00 0.00 177.57 177.95 3iqe h GLU 219 N 0.98 0.27 0.00 1.57 4.81 -0.79 -0.95 114.58 120.47 3iqe h GLU 219 Ca 0.19 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 3iqe h GLU 219 Cb 0.43 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3iqe h GLU 219 CO 0.01 0.30 -0.38 0.78 -0.73 0.00 0.00 179.01 178.99 3iqe h GLY 220 N 0.17 0.00 0.32 1.92 0.00 -1.05 0.86 103.07 105.29 3iqe h GLY 220 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.04 3iqe h GLY 220 CO -0.01 0.00 -2.19 0.00 0.00 0.00 0.00 176.54 174.34 3iqe n PHE 222 N -3.00 0.00 -0.04 0.00 3.72 -0.37 -4.93 117.46 112.84 3iqe n PHE 222 Ca -0.31 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.04 3iqe n PHE 222 Cb 1.09 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 39.50 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 -1.75 1.07 -1.84 -4.37 0.31 -0.74 -4.96 118.33 106.05 3iqe n VAL 223 Ca -0.02 0.25 -0.42 0.00 -0.01 0.00 0.00 64.34 64.14 3iqe n VAL 223 Cb 0.22 -1.93 -0.03 0.00 -0.91 0.00 0.00 33.84 31.19 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 -2.23 4.17 0.00 5.55 2.56 0.22 -4.92 118.70 124.05 3iqe s GLU 224 Ca -0.15 2.48 0.08 0.00 0.00 0.00 0.00 54.97 57.38 3iqe s GLU 224 Cb 0.02 -3.10 -0.04 0.00 2.00 0.00 0.00 34.13 33.00 3iqe s GLU 224 CO 0.22 -0.66 0.45 1.04 -0.56 0.00 0.00 175.26 175.75 3iqe n GLN 225 N 3.67 3.32 -3.54 4.30 1.13 -1.26 -4.75 117.38 120.25 3iqe n GLN 225 Ca 0.14 -0.27 -0.38 0.00 -1.94 0.00 0.00 57.00 54.55 3iqe n GLN 225 Cb 0.37 -0.95 -0.09 0.00 0.11 0.00 0.00 30.24 29.68 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 -1.47 6.19 0.40 1.08 3.68 -1.26 -4.98 116.67 120.32 3iqe s ASP 226 Ca 0.05 0.21 0.20 0.00 2.13 0.00 0.00 52.55 55.14 3iqe s ASP 226 Cb 0.06 -2.15 0.82 0.00 -1.45 0.00 0.00 42.92 40.20 3iqe s ASP 226 CO 0.26 -0.03 1.80 0.07 0.13 0.00 0.00 175.17 177.41 3iqe h LYS 227 N 7.73 0.00 -0.10 4.34 2.10 -1.97 0.37 116.57 129.04 3iqe h LYS 227 Ca -0.36 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.32 3iqe h LYS 227 Cb 1.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3iqe h LYS 227 CO 0.65 0.32 0.15 0.93 -2.00 0.00 0.00 179.45 179.50 3iqe h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -2.29 114.58 115.43 3iqe h GLU 228 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 3iqe h GLU 228 Cb 0.77 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 3iqe h GLU 228 CO 0.04 0.00 -2.28 0.54 -1.00 0.00 0.00 179.01 176.31 3iqe n ARG 229 N -3.59 0.54 0.20 2.33 1.74 0.10 -4.58 116.66 113.40 3iqe n ARG 229 Ca -0.00 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.31 3iqe n ARG 229 Cb 0.24 -1.41 0.32 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.26 0.00 0.27 -1.55 -0.00 -0.69 -2.10 116.97 112.64 3iqe h TYR 230 Ca -0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.19 3iqe h TYR 230 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.42 3iqe h TYR 230 CO -0.01 0.31 -0.13 0.28 -0.00 0.00 0.00 178.16 178.61 3iqe h VAL 231 N 0.00 0.70 -0.90 -0.90 2.07 -1.67 -1.66 116.25 113.89 3iqe h VAL 231 Ca -0.00 -0.75 0.11 0.00 0.82 0.00 0.00 66.70 66.88 3iqe h VAL 231 Cb 0.94 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 3iqe h VAL 231 CO 0.04 0.14 0.53 -0.65 0.02 0.00 0.00 177.57 177.65 3iqe h PRO 232 N -0.81 0.82 -0.18 1.57 0.11 -1.78 -1.55 132.00 130.18 3iqe h PRO 232 Ca -0.04 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.05 3iqe h PRO 232 Cb 0.51 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 3iqe h PRO 232 CO 0.06 0.54 0.03 0.82 -0.21 0.00 0.00 178.00 179.24 3iqe h ILE 233 N 0.85 0.91 -0.11 4.15 2.04 -1.29 -1.40 117.51 122.66 3iqe h ILE 233 Ca 0.45 -0.03 -0.12 0.00 1.00 0.00 0.00 64.86 66.15 3iqe h ILE 233 Cb 0.45 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3iqe h ILE 233 CO -0.27 0.02 -0.48 -0.37 0.00 0.00 0.00 178.15 177.05 3iqe h VAL 234 N 0.09 1.34 -0.52 1.67 -1.51 -1.05 -2.61 116.25 113.66 3iqe h VAL 234 Ca 0.08 -1.69 -0.08 0.00 -1.23 0.00 0.00 66.70 63.79 3iqe h VAL 234 Cb 0.08 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.00 3iqe h VAL 234 CO -0.12 0.50 0.02 0.00 -1.23 0.00 0.00 177.57 176.75 3iqe h ALA 235 N 1.29 1.05 -0.12 5.19 0.00 -1.13 -2.41 119.26 123.12 3iqe h ALA 235 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3iqe h ALA 235 Cb 0.93 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3iqe h ALA 235 CO 0.08 0.60 -0.13 0.66 0.00 0.00 0.00 179.25 180.46 3iqe h SER 236 N 0.81 0.17 -0.74 0.00 4.64 -0.89 -1.36 113.55 116.19 3iqe h SER 236 Ca 0.16 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 3iqe h SER 236 Cb 0.46 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 3iqe h SER 236 CO 0.02 0.33 0.36 0.00 -0.87 0.00 0.00 176.83 176.66 3iqe h ALA 237 N 1.70 0.95 -0.29 5.18 0.00 -1.14 -1.61 119.26 124.05 3iqe h ALA 237 Ca 0.04 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3iqe h ALA 237 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3iqe h ALA 237 CO 0.02 0.51 -0.31 0.45 0.00 0.00 0.00 179.25 179.92 3iqe h HIS 238 N 1.03 0.71 -0.41 0.00 3.86 -1.06 -1.76 115.15 117.52 3iqe h HIS 238 Ca 0.25 -0.18 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 3iqe h HIS 238 Cb 0.11 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 3iqe h HIS 238 CO 0.01 0.85 -0.14 0.93 0.86 0.00 0.00 177.93 180.44 3iqe h GLU 239 N 0.52 0.75 -0.17 2.45 4.39 -1.04 -1.92 114.58 119.56 3iqe h GLU 239 Ca 0.06 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.54 3iqe h GLU 239 Cb 0.79 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 3iqe h GLU 239 CO 0.07 0.85 -0.04 0.52 -1.16 0.00 0.00 179.01 179.25 3iqe h MET 240 N 0.67 0.01 -0.35 2.33 2.86 -1.11 -2.46 114.93 116.89 3iqe h MET 240 Ca 0.11 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 3iqe h MET 240 Cb 0.62 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3iqe h MET 240 CO 0.04 0.01 -0.01 1.98 1.06 0.00 0.00 176.91 179.99 3iqe h MET 241 N 0.01 0.55 -0.56 1.72 1.85 -0.91 -0.50 114.93 117.09 3iqe h MET 241 Ca 0.08 -0.12 -0.04 0.00 -0.61 0.00 0.00 59.70 59.01 3iqe h MET 241 Cb 0.12 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.05 3iqe h MET 241 CO -0.17 0.58 0.18 -0.09 -0.40 0.00 0.00 176.91 177.01 3iqe h ARG 242 N 0.52 0.83 0.02 0.39 2.43 -1.13 -1.67 114.38 115.78 3iqe h ARG 242 Ca 0.11 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 3iqe h ARG 242 Cb 0.35 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3iqe h ARG 242 CO 0.01 0.72 -0.97 0.87 -1.51 0.00 0.00 179.97 179.08 3iqe h LYS 243 N 0.81 0.10 -0.80 0.20 1.79 -0.68 -2.04 116.57 115.95 3iqe h LYS 243 Ca 0.19 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 3iqe h LYS 243 Cb 0.23 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 3iqe h LYS 243 CO -0.01 0.99 0.39 0.00 -1.08 0.00 0.00 179.45 179.74 3iqe h ALA 244 N 0.95 1.03 -0.64 3.86 0.00 -0.94 -0.82 119.26 122.71 3iqe h ALA 244 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iqe h ALA 244 Cb 1.67 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3iqe h ALA 244 CO 0.14 0.59 0.40 0.00 0.00 0.00 0.00 179.25 180.38 3iqe h ALA 245 N 1.21 1.50 -0.06 0.00 0.00 -1.09 -0.40 119.26 120.42 3iqe h ALA 245 Ca 0.28 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3iqe h ALA 245 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iqe h ALA 245 CO -0.04 0.44 -0.59 0.93 0.00 0.00 0.00 179.25 179.99 3iqe h GLU 246 N 0.87 0.19 -0.15 0.00 5.08 -0.72 -1.29 114.58 118.57 3iqe h GLU 246 Ca 0.23 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3iqe h GLU 246 Cb -0.06 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3iqe h GLU 246 CO -0.05 0.73 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.57 3iqe h LEU 247 N 0.14 0.30 -0.40 1.33 3.38 -0.61 -1.46 115.31 117.99 3iqe h LEU 247 Ca -0.00 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.64 3iqe h LEU 247 Cb 1.08 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 3iqe h LEU 247 CO 0.09 0.62 0.09 0.00 0.09 0.00 0.00 178.44 179.34 3iqe h ALA 248 N 0.69 0.44 -0.50 1.53 0.00 -1.00 -0.48 119.26 119.95 3iqe h ALA 248 Ca 0.04 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3iqe h ALA 248 Cb 0.50 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 3iqe h ALA 248 CO 0.02 -0.30 0.13 0.22 0.00 0.00 0.00 179.25 179.31 3iqe h ASP 249 N 0.23 0.07 -0.40 0.00 3.58 -1.21 -1.29 116.42 117.40 3iqe h ASP 249 Ca 0.19 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.68 3iqe h ASP 249 Cb 0.22 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 3iqe h ASP 249 CO -0.24 0.07 0.13 -0.08 -2.88 0.00 0.00 179.24 176.24 3iqe h GLU 250 N 0.28 0.69 -0.42 0.28 4.81 -0.46 0.07 114.58 119.83 3iqe h GLU 250 Ca 0.25 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 3iqe h GLU 250 Cb 0.31 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3iqe h GLU 250 CO -0.30 0.61 -0.19 0.00 -0.73 0.00 0.00 179.01 178.41 3iqe h ALA 251 N 1.47 0.58 -0.59 2.92 0.00 -0.73 -2.27 119.26 120.65 3iqe h ALA 251 Ca 0.16 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3iqe h ALA 251 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3iqe h ALA 251 CO -0.01 0.54 0.01 -0.09 0.00 0.00 0.00 179.25 179.70 3iqe h ARG 252 N 0.68 1.03 0.00 0.00 2.43 -0.33 -2.57 114.38 115.63 3iqe h ARG 252 Ca 0.09 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 3iqe h ARG 252 Cb 0.75 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3iqe h ARG 252 CO 0.06 1.02 -0.03 0.93 -1.51 0.00 0.00 179.97 180.43 3iqe h GLU 253 N 0.92 0.00 -0.31 0.20 4.39 -0.80 -1.57 114.58 117.41 3iqe h GLU 253 Ca 0.17 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.72 3iqe h GLU 253 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3iqe h GLU 253 CO 0.03 0.03 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.44 3iqe h LEU 254 N 0.00 0.80 -0.57 1.33 3.38 -1.02 -0.13 115.31 119.10 3iqe h LEU 254 Ca -0.00 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 3iqe h LEU 254 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3iqe h LEU 254 CO 0.00 1.11 0.04 -0.33 0.09 0.00 0.00 178.44 179.35 3iqe h GLU 255 N 0.61 0.98 -0.50 1.13 4.39 -1.12 -2.22 114.58 117.84 3iqe h GLU 255 Ca 0.05 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 3iqe h GLU 255 Cb 0.96 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 3iqe h GLU 255 CO 0.09 0.96 0.28 0.87 -1.16 0.00 0.00 179.01 180.04 3iqe h LYS 256 N 0.86 0.68 0.00 2.33 1.57 -0.87 -0.71 116.57 120.44 3iqe h LYS 256 Ca 0.17 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3iqe h LYS 256 Cb 0.49 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3iqe h LYS 256 CO 0.02 0.50 -0.16 0.66 -0.57 0.00 0.00 179.45 179.90 3iqe h SER 257 N 0.69 0.00 -0.53 0.86 4.64 -0.41 -1.30 113.55 117.50 3iqe h SER 257 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3iqe h SER 257 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3iqe h SER 257 CO -0.03 0.16 0.00 0.59 -0.87 0.00 0.00 176.83 176.68 3iqe n ASN 258 N -3.73 3.64 -3.86 4.97 3.02 -0.87 -4.96 115.26 113.46 3iqe n ASN 258 Ca -0.02 -2.13 -0.26 0.00 -0.03 0.00 0.00 54.58 52.14 3iqe n ASN 258 Cb 0.27 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.96 -1.48 -1.22 6.41 2.03 -0.49 -4.90 116.55 117.86 3iqe n ASP 259 Ca 0.19 -0.99 0.04 0.00 0.52 0.00 0.00 54.79 54.56 3iqe n ASP 259 Cb 0.60 -3.25 0.06 0.00 -0.72 0.00 0.00 41.12 37.81 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 -4.35 2.61 -2.20 -1.67 0.00 -0.34 -4.08 120.51 110.48 3iqe n ALA 260 Ca -0.26 -2.47 -0.43 0.00 0.00 0.00 0.00 53.44 50.27 3iqe n ALA 260 Cb 0.66 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.74 3.82 0.07 0.00 1.01 -1.17 -4.55 120.40 118.85 3iqe s VAL 261 Ca 0.33 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 62.93 3iqe s VAL 261 Cb 0.36 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 3iqe s VAL 261 CO -0.13 -0.34 1.86 -0.22 0.00 0.00 0.00 175.10 176.27 3iqe s LEU 262 N 4.93 4.41 -0.09 3.92 2.96 -1.26 -4.31 118.68 129.23 3iqe s LEU 262 Ca 0.67 2.66 0.03 0.00 -0.22 0.00 0.00 54.13 57.27 3iqe s LEU 262 Cb -0.23 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.92 3iqe s LEU 262 CO 0.27 -1.01 -0.19 -0.13 -1.32 0.00 0.00 176.35 173.98 3iqe s ARG 263 N 3.55 2.49 -0.53 1.98 0.52 -0.67 -5.02 118.95 121.27 3iqe s ARG 263 Ca 0.83 -0.68 0.07 0.00 -0.52 0.00 0.00 55.73 55.43 3iqe s ARG 263 Cb -0.43 -1.96 0.25 0.00 0.52 0.00 0.00 34.95 33.33 3iqe s ARG 263 CO 0.38 0.08 0.64 0.25 0.02 0.00 0.00 175.30 176.67 3iqe n THR 264 N 3.76 0.95 -1.65 0.02 -2.24 -1.26 -1.49 114.28 112.37 3iqe n THR 264 Ca -0.20 -4.66 -0.32 0.00 -2.27 0.00 0.00 64.05 56.60 3iqe n THR 264 Cb 0.52 -2.03 0.05 0.00 -2.10 0.00 0.00 70.33 66.77 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 -1.86 2.83 0.15 -0.78 0.04 -1.25 -4.67 135.00 129.46 3iqe s PRO 265 Ca 0.37 1.17 -0.27 0.00 0.04 0.00 0.00 61.00 62.31 3iqe s PRO 265 Cb 0.15 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 3iqe s PRO 265 CO -0.06 -1.20 0.84 -1.01 0.04 0.00 0.00 177.00 175.62 3iqe s HIS 266 N -2.70 3.88 0.65 0.56 3.76 -1.26 -0.76 115.29 119.41 3iqe s HIS 266 Ca 0.62 1.70 -0.11 0.00 -0.15 0.00 0.00 55.06 57.12 3iqe s HIS 266 Cb -0.17 -2.87 -0.02 0.00 1.11 0.00 0.00 32.58 30.63 3iqe s HIS 266 CO 0.48 0.41 1.05 0.00 -0.85 0.00 0.00 174.74 175.82 3iqe s ALA 267 N -0.77 2.97 0.56 -1.40 0.00 0.28 -4.92 121.76 118.48 3iqe s ALA 267 Ca 0.39 -0.11 0.27 0.00 0.00 0.00 0.00 51.96 52.51 3iqe s ALA 267 Cb -0.23 -3.09 1.48 0.00 0.00 0.00 0.00 23.12 21.28 3iqe s ALA 267 CO 0.28 -0.88 2.00 -1.35 0.00 0.00 0.00 175.76 175.80 3iqe h PRO 268 N -0.46 0.00 -0.28 0.00 0.11 -1.89 0.47 132.00 129.95 3iqe h PRO 268 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3iqe h PRO 268 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iqe h PRO 268 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3iqe n ASP 269 N -4.07 1.96 0.00 -2.05 5.75 -1.26 -0.80 116.55 116.07 3iqe n ASP 269 Ca 0.07 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 3iqe n ASP 269 Cb 0.55 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 1.15 1.47 3.76 6.12 0.00 0.16 -4.77 105.19 113.08 3iqe n GLY 270 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3iqe n GLY 270 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3iqe n LYS 271 N -2.00 2.33 -3.21 1.61 2.85 -1.26 -4.62 118.16 113.87 3iqe n LYS 271 Ca 0.00 0.83 -0.42 0.00 -1.05 0.00 0.00 58.31 57.66 3iqe n LYS 271 Cb 0.00 -2.61 -0.08 0.00 -0.65 0.00 0.00 35.03 31.69 3iqe n LYS 271 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3iqe s VAL 272 N -1.17 4.96 0.77 0.58 1.01 -1.26 -0.56 120.40 124.73 3iqe s VAL 272 Ca 0.59 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 3iqe s VAL 272 Cb -0.47 -4.08 0.14 0.00 0.00 0.00 0.00 36.38 31.97 3iqe s VAL 272 CO 0.59 -0.43 1.07 -0.76 0.00 0.00 0.00 175.10 175.57 3iqe s LEU 273 N 2.51 2.92 -0.07 3.92 1.43 0.06 -4.99 118.68 124.45 3iqe s LEU 273 Ca 0.19 -0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 3iqe s LEU 273 Cb -0.15 -2.02 0.05 0.00 0.03 0.00 0.00 46.19 44.10 3iqe s LEU 273 CO 0.16 -2.06 0.55 -0.55 0.23 0.00 0.00 176.35 174.68 3iqe s SER 274 N -4.78 -0.51 0.16 2.29 0.15 -1.26 -3.76 113.70 106.00 3iqe s SER 274 Ca 0.68 0.61 -0.21 0.00 0.70 0.00 0.00 55.95 57.73 3iqe s SER 274 Cb -0.05 0.59 0.05 0.00 -1.71 0.00 0.00 66.02 64.90 3iqe s SER 274 CO 0.46 -0.49 0.56 -1.59 1.20 0.00 0.00 173.24 173.38 3iqe s LYS 275 N -0.96 1.28 0.03 5.44 -2.85 -0.56 -1.35 119.74 120.76 3iqe s LYS 275 Ca -0.10 -0.59 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 3iqe s LYS 275 Cb -0.02 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 3iqe s LYS 275 CO 0.07 -0.55 0.00 0.54 0.10 0.00 0.00 175.35 175.51 3iqe n ARG 276 N -0.35 0.00 -2.54 1.78 5.12 -1.26 -1.67 116.66 117.74 3iqe n ARG 276 Ca -0.15 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.35 3iqe n ARG 276 Cb 0.64 -0.43 -0.03 0.00 -1.16 0.00 0.00 32.46 31.48 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 -2.00 4.47 0.37 5.56 1.02 -1.26 -3.03 119.74 124.87 3iqe s LYS 277 Ca 0.00 1.61 0.18 0.00 0.02 0.00 0.00 55.97 57.78 3iqe s LYS 277 Cb 0.00 -3.43 1.16 0.00 -0.52 0.00 0.00 37.83 35.04 3iqe s LYS 277 CO 0.00 -0.21 1.67 0.35 -0.92 0.00 0.00 175.35 176.24 3iqe h PHE 278 N 6.91 0.82 -0.00 3.18 3.04 -1.91 0.03 116.94 129.01 3iqe h PHE 278 Ca -0.40 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.59 3iqe h PHE 278 Cb 1.21 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.50 3iqe h PHE 278 CO 0.68 -0.16 -0.56 -1.33 -2.02 0.00 0.00 178.31 174.93 3iqe n MET 279 N -4.94 0.38 -2.86 1.11 2.81 -1.26 -4.89 117.12 107.47 3iqe n MET 279 Ca 0.32 -0.27 -0.38 0.00 -1.81 0.00 0.00 57.70 55.56 3iqe n MET 279 Cb 1.06 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 32.01 3iqe n MET 279 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3iqe s GLU 280 N -2.80 4.59 0.26 0.03 2.12 -0.00 -5.04 118.70 117.86 3iqe s GLU 280 Ca 0.15 1.26 -0.29 0.00 0.36 0.00 0.00 54.97 56.44 3iqe s GLU 280 Cb 0.18 -3.02 -0.09 0.00 0.26 0.00 0.00 34.13 31.45 3iqe s GLU 280 CO 0.68 0.41 1.14 -0.51 -0.54 0.00 0.00 175.26 176.45 3iqe s ASP 281 N -1.42 7.17 0.13 -1.70 1.01 -1.26 -4.86 116.67 115.74 3iqe s ASP 281 Ca 0.44 2.31 -0.31 0.00 0.71 0.00 0.00 52.55 55.69 3iqe s ASP 281 Cb -0.21 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.01 3iqe s ASP 281 CO 0.26 -0.24 1.47 -2.16 0.21 0.00 0.00 175.17 174.72 3iqe s PRO 282 N -1.21 4.27 0.00 8.23 0.04 -1.26 -4.80 135.00 140.26 3iqe s PRO 282 Ca 0.47 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.70 3iqe s PRO 282 Cb -0.33 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.97 3iqe s PRO 282 CO 0.41 -0.52 0.07 0.39 0.04 0.00 0.00 177.00 177.39