#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqz s VAL 3 N 0.00 5.23 0.29 2.28 1.01 -1.26 -4.80 120.40 123.15 3iqz s VAL 3 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3iqz s VAL 3 Cb 0.00 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 3iqz s VAL 3 CO 0.00 0.09 1.07 0.00 0.00 0.00 0.00 175.10 176.26 3iqz s ALA 4 N 1.90 3.35 0.02 5.51 0.00 -0.05 -4.91 121.76 127.58 3iqz s ALA 4 Ca 0.10 0.83 0.07 0.00 0.00 0.00 0.00 51.96 52.96 3iqz s ALA 4 Cb -0.16 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3iqz s ALA 4 CO 0.11 -0.11 -0.22 0.15 0.00 0.00 0.00 175.76 175.69 3iqz s LYS 5 N -1.56 1.58 0.01 0.00 1.02 -1.26 -1.55 119.74 117.97 3iqz s LYS 5 Ca 0.46 -0.90 -0.16 0.00 0.02 0.00 0.00 55.97 55.38 3iqz s LYS 5 Cb -0.30 -1.64 0.03 0.00 -0.52 0.00 0.00 37.83 35.40 3iqz s LYS 5 CO 0.38 0.43 0.35 0.00 -0.92 0.00 0.00 175.35 175.59 3iqz s ALA 6 N -0.69 -0.87 -0.09 5.17 0.00 -1.04 0.69 121.76 124.92 3iqz s ALA 6 Ca 0.08 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.38 3iqz s ALA 6 Cb -0.09 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3iqz s ALA 6 CO 0.01 -0.35 -0.20 0.42 0.00 0.00 0.00 175.76 175.65 3iqz s ILE 7 N -1.86 2.50 -0.12 0.00 1.01 -1.08 -1.70 121.20 119.95 3iqz s ILE 7 Ca -0.10 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 3iqz s ILE 7 Cb -0.03 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3iqz s ILE 7 CO 0.01 0.55 0.02 -0.36 0.00 0.00 0.00 174.94 175.17 3iqz s PHE 8 N 0.10 3.21 -0.16 3.97 0.40 0.24 -0.82 117.98 124.93 3iqz s PHE 8 Ca -0.09 0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 3iqz s PHE 8 Cb -0.15 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.50 3iqz s PHE 8 CO 0.06 0.37 -0.21 0.42 0.70 0.00 0.00 175.22 176.56 3iqz s ILE 9 N -0.48 2.09 -0.24 0.64 1.01 0.11 -0.83 121.20 123.50 3iqz s ILE 9 Ca 0.09 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.80 3iqz s ILE 9 Cb -0.12 -1.85 0.04 0.00 0.01 0.00 0.00 42.46 40.54 3iqz s ILE 9 CO 0.02 0.54 -0.12 -0.54 0.00 0.00 0.00 174.94 174.85 3iqz s LYS 10 N 1.02 2.57 -0.08 2.79 1.02 -0.04 -0.30 119.74 126.71 3iqz s LYS 10 Ca -0.02 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 54.86 3iqz s LYS 10 Cb -0.14 -2.85 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 3iqz s LYS 10 CO -0.06 -0.45 -0.15 0.00 -0.92 0.00 0.00 175.35 173.77 3iqz n GLY 12 N 3.86 -1.59 2.94 0.00 0.00 -0.34 -4.23 105.19 105.83 3iqz n GLY 12 Ca -0.21 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 3iqz n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iqz s ASN 13 N -4.09 -0.10 0.15 1.61 2.47 -1.26 -4.70 114.94 109.02 3iqz s ASN 13 Ca 0.00 0.26 0.04 0.00 0.42 0.00 0.00 52.86 53.58 3iqz s ASN 13 Cb 0.00 0.19 -0.04 0.00 -1.45 0.00 0.00 41.25 39.95 3iqz s ASN 13 CO 0.00 -0.10 -0.10 -0.76 -3.72 0.00 0.00 177.10 172.42 3iqz s LEU 14 N 0.70 2.53 0.19 3.21 1.02 -1.26 -4.59 118.68 120.48 3iqz s LEU 14 Ca -0.05 -1.01 -0.11 0.00 0.02 0.00 0.00 54.13 52.97 3iqz s LEU 14 Cb -0.07 -0.35 0.16 0.00 0.02 0.00 0.00 46.19 45.95 3iqz s LEU 14 CO -0.03 -0.33 1.83 1.23 0.02 0.00 0.00 176.35 179.06 3iqz h GLY 15 N 2.78 0.88 1.41 -3.19 0.00 -1.94 -1.62 103.07 101.39 3iqz h GLY 15 Ca -0.37 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 46.52 3iqz h GLY 15 CO 0.63 0.23 -0.56 -0.84 0.00 0.00 0.00 176.54 176.00 3iqz h THR 16 N 0.73 1.31 0.00 4.70 2.02 -1.97 -2.76 112.91 116.95 3iqz h THR 16 Ca 0.25 -1.80 -0.16 0.00 0.77 0.00 0.00 66.41 65.47 3iqz h THR 16 Cb 0.04 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3iqz h THR 16 CO -0.11 0.56 -0.77 0.77 0.37 0.00 0.00 175.52 176.34 3iqz h SER 17 N 0.47 0.00 -0.81 4.18 4.64 -1.88 0.19 113.55 120.35 3iqz h SER 17 Ca 0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3iqz h SER 17 Cb 1.12 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 3iqz h SER 17 CO 0.11 0.77 0.44 -0.03 -0.87 0.00 0.00 176.83 177.25 3iqz h MET 18 N 0.00 1.13 0.00 4.77 -1.53 -1.15 -3.30 114.93 114.85 3iqz h MET 18 Ca -0.01 -0.13 0.00 0.00 -3.44 0.00 0.00 59.70 56.12 3iqz h MET 18 Cb 1.46 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 32.29 3iqz h MET 18 CO 0.10 0.83 -1.18 -1.33 0.14 0.00 0.00 176.91 175.47 3iqz n MET 19 N -4.41 0.17 -0.20 0.39 2.81 -1.05 -4.75 117.12 110.08 3iqz n MET 19 Ca 0.08 -0.04 -0.01 0.00 -1.81 0.00 0.00 57.70 55.91 3iqz n MET 19 Cb 0.09 -1.52 0.06 0.00 -0.71 0.00 0.00 33.22 31.14 3iqz n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iqz h MET 20 N 0.00 0.00 -0.20 0.03 -0.00 -0.70 -1.77 114.93 112.29 3iqz h MET 20 Ca 0.00 -0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 3iqz h MET 20 Cb 0.63 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.22 3iqz h MET 20 CO 0.00 0.00 -0.13 0.38 -0.00 0.00 0.00 176.91 177.16 3iqz h ASP 21 N 0.00 0.46 0.06 -0.10 2.03 -1.85 -3.13 116.42 113.89 3iqz h ASP 21 Ca 0.28 -0.44 -0.01 0.00 -0.73 0.00 0.00 57.03 56.13 3iqz h ASP 21 Cb 0.43 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 38.80 3iqz h ASP 21 CO -0.61 0.80 -0.05 0.24 -1.03 0.00 0.00 179.24 178.59 3iqz h MET 22 N 0.12 0.00 0.00 4.15 2.86 -1.74 -1.39 114.93 118.93 3iqz h MET 22 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3iqz h MET 22 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3iqz h MET 22 CO 0.04 0.05 0.00 1.28 1.06 0.00 0.00 176.91 179.34 3iqz n LEU 23 N -4.40 0.25 -0.00 1.22 4.77 -0.72 -2.72 117.00 115.40 3iqz n LEU 23 Ca -0.03 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.63 3iqz n LEU 23 Cb 0.14 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 40.52 3iqz n LEU 23 CO 0.34 -0.56 -0.08 0.18 -1.33 0.00 0.00 177.39 175.95 3iqz n LEU 24 N -1.81 0.85 -2.94 2.23 4.77 -0.52 -4.63 117.00 114.95 3iqz n LEU 24 Ca 0.01 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.37 3iqz n LEU 24 Cb 0.09 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3iqz n LEU 24 CO 0.09 0.21 0.03 -0.67 -1.33 0.00 0.00 177.39 175.73 3iqz n ASP 25 N -1.48 -1.20 0.29 -1.43 2.03 -1.10 -4.98 116.55 108.68 3iqz n ASP 25 Ca 0.03 -3.22 0.18 0.00 0.52 0.00 0.00 54.79 52.30 3iqz n ASP 25 Cb 0.31 0.75 0.86 0.00 -0.72 0.00 0.00 41.12 42.32 3iqz n ASP 25 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3iqz h GLU 26 N 3.47 0.00 -0.00 -0.67 9.09 -1.82 -0.62 114.58 124.03 3iqz h GLU 26 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.38 3iqz h GLU 26 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 3iqz h GLU 26 CO 0.34 0.02 0.00 0.54 0.05 0.00 0.00 179.01 179.96 3iqz n ARG 27 N -3.17 2.77 -1.69 1.06 1.74 -1.26 -5.00 116.66 111.10 3iqz n ARG 27 Ca -0.01 -1.45 -0.20 0.00 -0.77 0.00 0.00 57.85 55.42 3iqz n ARG 27 Cb 0.22 -1.00 -0.07 0.00 -1.02 0.00 0.00 32.46 30.59 3iqz n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iqz n ALA 28 N -0.46 -0.35 0.46 7.54 0.00 -0.24 -4.88 120.51 122.58 3iqz n ALA 28 Ca 0.00 0.30 0.10 0.00 0.00 0.00 0.00 53.44 53.84 3iqz n ALA 28 Cb 0.24 -1.99 0.14 0.00 0.00 0.00 0.00 19.45 17.83 3iqz n ALA 28 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iqz n ASP 29 N -1.36 2.91 -4.71 0.00 5.68 -1.26 -4.95 116.55 112.86 3iqz n ASP 29 Ca -0.20 -1.86 -0.42 0.00 -0.50 0.00 0.00 54.79 51.80 3iqz n ASP 29 Cb 0.66 -0.12 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 3iqz n ASP 29 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3iqz s ARG 30 N -1.41 4.14 0.00 0.11 0.52 -1.26 -4.38 118.95 116.66 3iqz s ARG 30 Ca 0.28 2.58 0.20 0.00 -0.52 0.00 0.00 55.73 58.27 3iqz s ARG 30 Cb 0.17 -3.20 0.28 0.00 0.52 0.00 0.00 34.95 32.72 3iqz s ARG 30 CO 0.25 -0.76 1.25 0.39 0.02 0.00 0.00 175.30 176.44 3iqz n GLU 31 N 4.38 2.12 -0.28 3.54 1.02 0.11 -4.32 120.64 127.22 3iqz n GLU 31 Ca 0.16 -1.96 0.07 0.00 -0.02 0.00 0.00 57.16 55.42 3iqz n GLU 31 Cb 0.36 -1.43 0.21 0.00 -0.02 0.00 0.00 31.44 30.57 3iqz n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3iqz n ASP 32 N 1.23 3.36 -3.87 1.62 3.85 -1.26 -4.78 116.55 116.70 3iqz n ASP 32 Ca 0.15 -2.16 -0.11 0.00 -0.71 0.00 0.00 54.79 51.96 3iqz n ASP 32 Cb 0.53 -0.34 -0.10 0.00 -1.35 0.00 0.00 41.12 39.87 3iqz n ASP 32 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3iqz s VAL 33 N -1.28 0.09 -0.19 2.12 -7.23 -1.26 -0.87 120.40 111.77 3iqz s VAL 33 Ca 0.32 -0.77 -0.08 0.00 -1.81 0.00 0.00 61.98 59.64 3iqz s VAL 33 Cb 0.19 -0.57 0.08 0.00 0.56 0.00 0.00 36.38 36.64 3iqz s VAL 33 CO 0.19 -0.42 0.43 -0.70 -0.31 0.00 0.00 175.10 174.28 3iqz s GLU 34 N -1.71 0.36 0.10 4.82 2.12 -0.60 -4.92 118.70 118.87 3iqz s GLU 34 Ca -0.12 0.98 0.09 0.00 0.36 0.00 0.00 54.97 56.28 3iqz s GLU 34 Cb -0.06 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.53 3iqz s GLU 34 CO 0.00 -0.22 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.21 3iqz s PHE 35 N 2.24 2.00 -0.01 5.30 2.99 -1.26 -2.50 117.98 126.74 3iqz s PHE 35 Ca -0.04 -0.40 0.07 0.00 0.00 0.00 0.00 56.93 56.56 3iqz s PHE 35 Cb -0.11 -1.12 -0.02 0.00 0.00 0.00 0.00 43.02 41.78 3iqz s PHE 35 CO -0.13 0.22 -0.22 1.03 -0.00 0.00 0.00 175.22 176.12 3iqz s ARG 36 N -1.78 1.77 -0.10 0.44 1.81 -0.69 -5.00 118.95 115.40 3iqz s ARG 36 Ca 0.09 -0.81 0.02 0.00 -1.72 0.00 0.00 55.73 53.32 3iqz s ARG 36 Cb -0.10 -1.73 0.01 0.00 -0.45 0.00 0.00 34.95 32.68 3iqz s ARG 36 CO 0.04 0.47 -0.18 0.08 -0.68 0.00 0.00 175.30 175.04 3iqz s VAL 37 N -0.55 1.65 0.12 3.52 1.01 -1.26 -0.59 120.40 124.30 3iqz s VAL 37 Ca 0.09 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3iqz s VAL 37 Cb -0.09 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3iqz s VAL 37 CO -0.01 0.47 -0.09 0.68 0.00 0.00 0.00 175.10 176.16 3iqz s VAL 38 N 0.74 0.93 -0.01 2.92 -7.23 -0.01 -4.96 120.40 112.79 3iqz s VAL 38 Ca -0.11 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 57.86 3iqz s VAL 38 Cb -0.16 -1.66 0.11 0.00 0.56 0.00 0.00 36.38 35.23 3iqz s VAL 38 CO 0.02 -0.75 1.27 -0.83 -0.31 0.00 0.00 175.10 174.51 3iqz s GLY 39 N -2.94 -0.32 -0.26 2.32 0.00 -1.26 -0.86 107.32 104.01 3iqz s GLY 39 Ca 0.12 0.48 0.09 0.00 0.00 0.00 0.00 44.72 45.41 3iqz s GLY 39 CO -0.02 1.62 1.28 -1.30 0.00 0.00 0.00 173.10 174.68 3iqz n THR 40 N -0.60 2.40 -2.54 0.90 -2.24 -1.12 -4.95 114.28 106.12 3iqz n THR 40 Ca -0.05 -3.42 0.00 0.00 -2.27 0.00 0.00 64.05 58.30 3iqz n THR 40 Cb 0.62 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3iqz n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iqz n SER 41 N -1.00 0.00 0.09 3.42 2.88 -1.26 -2.84 113.62 114.90 3iqz n SER 41 Ca 0.29 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.95 3iqz n SER 41 Cb 0.83 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.74 3iqz n SER 41 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3iqz n VAL 42 N 0.00 0.72 -2.68 2.46 0.24 -1.26 -1.20 118.33 116.61 3iqz n VAL 42 Ca 0.00 0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 61.96 3iqz n VAL 42 Cb 0.00 -0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 31.42 3iqz n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3iqz s LYS 43 N -3.18 4.49 -0.04 7.34 1.02 -1.13 -3.15 119.74 125.09 3iqz s LYS 43 Ca 0.07 1.43 0.17 0.00 0.02 0.00 0.00 55.97 57.66 3iqz s LYS 43 Cb 0.11 -3.49 0.32 0.00 -0.52 0.00 0.00 37.83 34.24 3iqz s LYS 43 CO 0.43 -0.19 1.14 0.00 -0.92 0.00 0.00 175.35 175.81 3iqz n MET 44 N 4.42 0.36 -1.72 1.68 0.00 -1.26 -3.82 117.12 116.77 3iqz n MET 44 Ca 0.07 -2.03 -0.30 0.00 0.00 0.00 0.00 57.70 55.45 3iqz n MET 44 Cb 0.50 -0.50 0.06 0.00 0.00 0.00 0.00 33.22 33.28 3iqz n MET 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3iqz s ASP 45 N -2.04 5.08 0.23 3.17 -4.77 -1.26 -3.84 116.67 113.25 3iqz s ASP 45 Ca 0.27 1.25 -0.11 0.00 -3.30 0.00 0.00 52.55 50.66 3iqz s ASP 45 Cb 0.29 -2.04 0.33 0.00 -1.09 0.00 0.00 42.92 40.41 3iqz s ASP 45 CO -0.10 -1.59 1.62 -0.65 0.70 0.00 0.00 175.17 175.15 3iqz h PRO 46 N -0.83 0.03 -0.23 2.11 0.11 -1.86 -0.53 132.00 130.80 3iqz h PRO 46 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3iqz h PRO 46 Cb 1.25 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3iqz h PRO 46 CO 0.61 0.02 0.10 0.93 -0.21 0.00 0.00 178.00 179.45 3iqz h GLU 47 N 0.03 0.33 -0.27 1.05 3.07 -1.97 -0.88 114.58 115.94 3iqz h GLU 47 Ca 0.37 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3iqz h GLU 47 Cb 0.59 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3iqz h GLU 47 CO -0.72 0.36 0.16 0.00 -1.40 0.00 0.00 179.01 177.40 3iqz h VAL 49 N 0.33 1.22 -0.92 0.00 2.07 -1.02 0.26 116.25 118.20 3iqz h VAL 49 Ca 0.10 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.95 3iqz h VAL 49 Cb 0.03 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3iqz h VAL 49 CO -0.02 0.27 0.61 -0.08 0.02 0.00 0.00 177.57 178.36 3iqz h GLU 50 N 0.78 1.15 -0.24 1.57 4.81 -1.02 -0.32 114.58 121.32 3iqz h GLU 50 Ca 0.19 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 3iqz h GLU 50 Cb 0.19 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3iqz h GLU 50 CO -0.02 0.76 -0.45 0.00 -0.73 0.00 0.00 179.01 178.58 3iqz h ALA 51 N 1.45 0.76 -0.23 2.92 0.00 -0.54 -1.62 119.26 122.00 3iqz h ALA 51 Ca 0.35 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3iqz h ALA 51 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iqz h ALA 51 CO -0.10 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.80 3iqz h ALA 52 N 1.01 0.31 -0.31 0.00 0.00 -0.50 -2.16 119.26 117.61 3iqz h ALA 52 Ca 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3iqz h ALA 52 Cb 0.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3iqz h ALA 52 CO 0.09 0.06 0.05 0.28 0.00 0.00 0.00 179.25 179.73 3iqz h VAL 53 N 0.17 1.16 -0.39 0.00 2.07 -0.98 -1.90 116.25 116.38 3iqz h VAL 53 Ca 0.06 -0.60 -0.15 0.00 0.82 0.00 0.00 66.70 66.83 3iqz h VAL 53 Cb 0.45 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3iqz h VAL 53 CO 0.02 0.21 -0.35 -0.33 0.02 0.00 0.00 177.57 177.14 3iqz h GLU 54 N 0.45 0.90 -0.17 1.57 5.08 -1.10 0.76 114.58 122.07 3iqz h GLU 54 Ca 0.10 -0.45 0.05 0.00 -1.00 0.00 0.00 59.36 58.06 3iqz h GLU 54 Cb 0.22 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 3iqz h GLU 54 CO 0.00 1.10 -0.18 0.52 -1.00 0.00 0.00 179.01 179.45 3iqz h MET 55 N 0.75 -0.20 -0.34 2.33 2.86 -0.95 0.36 114.93 119.74 3iqz h MET 55 Ca 0.07 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 3iqz h MET 55 Cb 0.93 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.57 3iqz h MET 55 CO 0.09 -0.13 -0.07 0.00 1.06 0.00 0.00 176.91 177.86 3iqz h ALA 56 N 0.85 0.24 -0.31 6.32 0.00 -0.99 -0.50 119.26 124.88 3iqz h ALA 56 Ca 0.11 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3iqz h ALA 56 Cb 0.37 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3iqz h ALA 56 CO -0.29 -0.45 -0.40 -0.07 0.00 0.00 0.00 179.25 178.04 3iqz h LEU 57 N 0.02 0.79 0.04 0.00 3.38 -0.33 0.23 115.31 119.45 3iqz h LEU 57 Ca 0.16 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3iqz h LEU 57 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3iqz h LEU 57 CO -0.33 1.09 -0.07 0.44 0.09 0.00 0.00 178.44 179.66 3iqz h ASP 58 N 0.61 -0.19 -0.40 -0.43 3.32 -0.10 -2.49 116.42 116.74 3iqz h ASP 58 Ca 0.05 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3iqz h ASP 58 Cb 0.94 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 3iqz h ASP 58 CO 0.09 -0.11 0.19 0.40 -1.72 0.00 0.00 179.24 178.09 3iqz h ILE 59 N -0.15 1.16 -0.49 0.35 2.04 -0.83 -2.88 117.51 116.73 3iqz h ILE 59 Ca 0.01 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3iqz h ILE 59 Cb 0.16 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3iqz h ILE 59 CO -0.04 0.19 0.31 0.00 0.00 0.00 0.00 178.15 178.61 3iqz h ALA 60 N 1.59 1.63 -0.35 1.87 0.00 -0.08 -1.14 119.26 122.78 3iqz h ALA 60 Ca 0.15 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3iqz h ALA 60 Cb 0.11 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 3iqz h ALA 60 CO -0.02 0.33 -0.22 0.93 0.00 0.00 0.00 179.25 180.28 3iqz h GLU 61 N 0.66 -0.16 0.22 0.00 5.08 -1.30 0.58 114.58 119.66 3iqz h GLU 61 Ca 0.18 0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.21 3iqz h GLU 61 Cb -0.06 0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.26 3iqz h GLU 61 CO -0.04 -0.11 -1.58 -0.44 -1.00 0.00 0.00 179.01 175.85 3iqz h ASP 62 N -0.17 0.73 -0.13 1.42 3.32 -1.71 -3.37 116.42 116.51 3iqz h ASP 62 Ca 0.18 -0.89 -0.09 0.00 0.02 0.00 0.00 57.03 56.25 3iqz h ASP 62 Cb 0.44 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3iqz h ASP 62 CO -0.45 1.72 -0.21 0.15 -1.72 0.00 0.00 179.24 178.73 3iqz h PHE 63 N 0.13 0.61 -5.93 4.55 3.57 -0.86 -3.48 116.94 115.53 3iqz h PHE 63 Ca -0.28 -0.12 -0.37 0.00 3.53 0.00 0.00 57.97 60.73 3iqz h PHE 63 Cb 2.14 -0.15 0.12 0.00 2.79 0.00 0.00 35.95 40.84 3iqz h PHE 63 CO 0.11 0.72 -0.88 0.39 -2.23 0.00 0.00 178.31 176.42 3iqz n GLU 64 N -4.14 -2.83 -2.06 1.11 1.02 0.20 -4.95 120.64 108.99 3iqz n GLU 64 Ca 0.00 0.65 -0.36 0.00 -0.02 0.00 0.00 57.16 57.42 3iqz n GLU 64 Cb 0.39 -5.02 0.02 0.00 -0.02 0.00 0.00 31.44 26.81 3iqz n GLU 64 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3iqz s PRO 65 N -5.47 3.20 0.27 3.49 0.04 -1.26 -4.86 135.00 130.41 3iqz s PRO 65 Ca 0.31 1.85 0.14 0.00 0.04 0.00 0.00 61.00 63.34 3iqz s PRO 65 Cb -0.08 -2.08 0.17 0.00 0.04 0.00 0.00 34.50 32.55 3iqz s PRO 65 CO 0.80 -1.03 1.49 -0.44 0.04 0.00 0.00 177.00 177.87 3iqz h ASP 66 N 1.24 0.00 -5.01 6.66 5.19 -0.10 -3.47 116.42 120.92 3iqz h ASP 66 Ca -0.50 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 55.93 3iqz h ASP 66 Cb 1.28 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.71 3iqz h ASP 66 CO 0.57 0.58 0.19 0.72 -3.12 0.00 0.00 179.24 178.18 3iqz s PHE 67 N -3.09 -0.31 0.01 4.55 -0.12 -1.20 -4.33 117.98 113.49 3iqz s PHE 67 Ca 0.02 -0.03 0.05 0.00 -0.05 0.00 0.00 56.93 56.92 3iqz s PHE 67 Cb 0.09 0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 43.07 3iqz s PHE 67 CO 0.75 -1.04 -0.14 0.42 -0.05 0.00 0.00 175.22 175.16 3iqz s ILE 68 N -3.85 1.12 -0.06 -4.49 1.01 -0.26 -2.64 121.20 112.02 3iqz s ILE 68 Ca 0.07 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 59.99 3iqz s ILE 68 Cb -0.03 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3iqz s ILE 68 CO -0.02 0.17 -0.24 -0.69 0.00 0.00 0.00 174.94 174.16 3iqz s VAL 69 N -0.57 1.99 -0.16 2.92 1.01 0.00 -0.99 120.40 124.60 3iqz s VAL 69 Ca 0.04 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.00 3iqz s VAL 69 Cb -0.06 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3iqz s VAL 69 CO 0.00 0.55 -0.17 -0.47 0.00 0.00 0.00 175.10 175.02 3iqz s TYR 70 N -0.05 2.76 -0.06 5.22 6.14 0.35 0.05 117.35 131.76 3iqz s TYR 70 Ca -0.06 -1.22 0.03 0.00 0.64 0.00 0.00 57.07 56.46 3iqz s TYR 70 Cb -0.14 -1.89 0.01 0.00 0.42 0.00 0.00 41.96 40.35 3iqz s TYR 70 CO 0.04 -0.58 -0.16 0.20 0.64 0.00 0.00 175.55 175.70 3iqz s GLY 71 N 0.95 0.92 0.00 8.97 0.00 0.59 -0.14 107.32 118.61 3iqz s GLY 71 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3iqz s GLY 71 CO -0.03 -0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.57 3iqz n GLY 72 N 3.55 -1.71 3.75 0.20 0.00 -0.78 -2.53 105.19 107.67 3iqz n GLY 72 Ca -0.21 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 3iqz n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iqz s PRO 73 N -1.57 2.47 -0.34 1.61 0.02 -1.26 -4.24 135.00 131.69 3iqz s PRO 73 Ca 0.00 1.50 -0.30 0.00 0.02 0.00 0.00 61.00 62.22 3iqz s PRO 73 Cb 0.00 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.67 3iqz s PRO 73 CO 0.00 -1.53 0.51 -1.71 -0.33 0.00 0.00 177.00 173.94 3iqz n ASN 74 N -2.67 -5.11 0.08 2.53 2.85 -1.26 -4.84 115.26 106.83 3iqz n ASN 74 Ca 0.11 -0.07 0.21 0.00 -0.11 0.00 0.00 54.58 54.72 3iqz n ASN 74 Cb 0.51 -1.44 0.70 0.00 1.24 0.00 0.00 39.78 40.80 3iqz n ASN 74 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iqz h PRO 75 N 2.14 0.00 -0.00 1.20 0.11 -1.87 -0.96 132.00 132.63 3iqz h PRO 75 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3iqz h PRO 75 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iqz h PRO 75 CO 0.17 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 177.87 3iqz n ALA 76 N -2.27 2.60 -1.61 -0.75 0.00 -1.26 -3.39 120.51 113.84 3iqz n ALA 76 Ca 0.08 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 3iqz n ALA 76 Cb 0.72 -1.40 0.10 0.00 0.00 0.00 0.00 19.45 18.87 3iqz n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iqz s ALA 77 N -2.87 2.21 0.12 0.00 0.00 -0.36 -4.75 121.76 116.12 3iqz s ALA 77 Ca 0.18 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.59 3iqz s ALA 77 Cb 0.19 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3iqz s ALA 77 CO 0.54 -1.82 1.71 -1.35 0.00 0.00 0.00 175.76 174.84 3iqz h PRO 78 N -1.16 0.02 0.77 0.00 0.11 -1.90 0.17 132.00 130.01 3iqz h PRO 78 Ca -0.48 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3iqz h PRO 78 Cb 1.29 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 3iqz h PRO 78 CO 0.61 0.01 -0.38 0.78 -0.21 0.00 0.00 178.00 178.81 3iqz h GLY 79 N 0.02 -1.10 1.92 -0.55 0.00 -1.84 -1.39 103.07 100.13 3iqz h GLY 79 Ca 0.09 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3iqz h GLY 79 CO -0.18 -0.40 0.05 -2.55 0.00 0.00 0.00 176.54 173.47 3iqz h PRO 80 N -1.05 0.10 -0.87 4.80 0.11 -1.73 -1.23 132.00 132.12 3iqz h PRO 80 Ca -0.11 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 3iqz h PRO 80 Cb 0.81 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 3iqz h PRO 80 CO 0.17 0.07 0.45 0.77 -0.21 0.00 0.00 178.00 179.25 3iqz h SER 81 N 0.10 1.11 -0.78 -2.05 0.02 -0.27 -0.88 113.55 110.81 3iqz h SER 81 Ca 0.03 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3iqz h SER 81 Cb -0.01 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.21 3iqz h SER 81 CO -0.01 0.91 0.45 0.50 -1.14 0.00 0.00 176.83 177.55 3iqz h LYS 82 N 1.23 1.09 -0.16 3.45 1.63 -0.12 -2.12 116.57 121.57 3iqz h LYS 82 Ca 0.30 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 3iqz h LYS 82 Cb 0.07 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 3iqz h LYS 82 CO -0.04 0.78 -0.02 0.00 -3.45 0.00 0.00 179.45 176.72 3iqz h ALA 83 N 1.40 0.21 -0.77 5.00 0.00 -0.94 -0.82 119.26 123.34 3iqz h ALA 83 Ca 0.28 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3iqz h ALA 83 Cb -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 3iqz h ALA 83 CO -0.05 -0.06 0.37 0.00 0.00 0.00 0.00 179.25 179.51 3iqz h ARG 84 N 0.01 0.55 -0.14 0.00 3.08 -0.98 0.78 114.38 117.69 3iqz h ARG 84 Ca 0.04 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3iqz h ARG 84 Cb 0.42 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3iqz h ARG 84 CO 0.01 0.37 -0.08 1.49 -1.07 0.00 0.00 179.97 180.69 3iqz h GLU 85 N 0.57 0.29 -0.78 0.04 4.81 -1.21 0.13 114.58 118.43 3iqz h GLU 85 Ca 0.41 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3iqz h GLU 85 Cb 0.54 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 3iqz h GLU 85 CO -0.34 0.64 0.31 0.52 -0.73 0.00 0.00 179.01 179.41 3iqz h MET 86 N -0.06 1.17 -0.04 1.92 2.86 -0.70 -1.72 114.93 118.36 3iqz h MET 86 Ca 0.03 -0.21 -0.24 0.00 -2.06 0.00 0.00 59.70 57.22 3iqz h MET 86 Cb 0.56 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 32.04 3iqz h MET 86 CO 0.02 0.95 -0.93 -0.07 1.06 0.00 0.00 176.91 177.94 3iqz h LEU 87 N 1.14 0.79 -0.71 1.22 3.38 -0.76 -2.16 115.31 118.21 3iqz h LEU 87 Ca 0.26 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3iqz h LEU 87 Cb 0.22 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3iqz h LEU 87 CO -0.02 1.38 0.47 0.00 0.09 0.00 0.00 178.44 180.36 3iqz h ALA 88 N 0.58 0.90 0.00 1.53 0.00 -0.64 -1.78 119.26 119.85 3iqz h ALA 88 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iqz h ALA 88 Cb 1.56 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3iqz h ALA 88 CO 0.18 0.33 0.00 -0.25 0.00 0.00 0.00 179.25 179.50 3iqz n ASP 89 N -4.59 0.00 -4.91 0.00 8.00 -0.65 -4.80 116.55 109.60 3iqz n ASP 89 Ca 0.06 0.44 -0.28 0.00 0.71 0.00 0.00 54.79 55.73 3iqz n ASP 89 Cb 0.02 -0.48 0.07 0.00 -0.02 0.00 0.00 41.12 40.71 3iqz n ASP 89 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3iqz s SER 90 N -2.95 4.94 0.08 -2.24 1.04 -0.67 -4.99 113.70 108.91 3iqz s SER 90 Ca 0.12 0.71 0.25 0.00 0.48 0.00 0.00 55.95 57.51 3iqz s SER 90 Cb 0.15 -1.38 0.98 0.00 0.10 0.00 0.00 66.02 65.87 3iqz s SER 90 CO 0.41 -1.57 1.78 -1.84 0.98 0.00 0.00 173.24 172.99 3iqz n GLU 91 N -3.01 0.09 -3.57 4.02 0.28 -1.26 -4.87 120.64 112.32 3iqz n GLU 91 Ca 0.07 0.15 -0.37 0.00 -0.16 0.00 0.00 57.16 56.85 3iqz n GLU 91 Cb 0.60 -1.62 -0.07 0.00 1.43 0.00 0.00 31.44 31.78 3iqz n GLU 91 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3iqz s TYR 92 N -3.06 3.57 0.35 -1.84 2.02 -1.26 -5.04 117.35 112.08 3iqz s TYR 92 Ca 0.11 0.72 -0.29 0.00 -0.37 0.00 0.00 57.07 57.24 3iqz s TYR 92 Cb 0.14 -2.27 -0.12 0.00 -0.40 0.00 0.00 41.96 39.32 3iqz s TYR 92 CO 0.48 0.44 1.45 -2.30 -1.57 0.00 0.00 175.55 174.05 3iqz n PRO 93 N 2.80 2.50 -4.08 -1.71 -0.02 -1.26 -4.81 135.00 128.42 3iqz n PRO 93 Ca -0.14 0.88 -0.12 0.00 -2.02 0.00 0.00 63.50 62.10 3iqz n PRO 93 Cb 0.52 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.32 3iqz n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iqz s ALA 94 N -0.86 0.65 -0.06 3.55 0.00 -1.26 -1.10 121.76 122.67 3iqz s ALA 94 Ca 0.56 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.65 3iqz s ALA 94 Cb -0.51 0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3iqz s ALA 94 CO 0.60 -0.08 -0.12 0.08 0.00 0.00 0.00 175.76 176.24 3iqz s VAL 95 N -1.94 1.14 -0.24 0.00 1.01 -0.16 -1.32 120.40 118.89 3iqz s VAL 95 Ca -0.05 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 3iqz s VAL 95 Cb -0.06 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 3iqz s VAL 95 CO -0.01 0.36 0.23 -0.63 0.00 0.00 0.00 175.10 175.05 3iqz s ILE 96 N 0.65 5.30 -0.24 2.22 -1.09 0.41 -0.49 121.20 127.96 3iqz s ILE 96 Ca -0.14 0.32 -0.10 0.00 -2.23 0.00 0.00 60.65 58.50 3iqz s ILE 96 Cb -0.16 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 3iqz s ILE 96 CO 0.04 0.30 0.14 -0.63 -1.23 0.00 0.00 174.94 173.56 3iqz s ILE 97 N 1.29 5.16 0.00 2.92 -1.09 0.80 -1.06 121.20 129.21 3iqz s ILE 97 Ca 0.10 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 3iqz s ILE 97 Cb -0.14 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 3iqz s ILE 97 CO 0.06 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 3iqz n GLY 98 N 4.38 3.54 0.00 6.18 0.00 -0.63 -1.86 105.19 116.79 3iqz n GLY 98 Ca -0.15 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3iqz n GLY 98 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iqz n ASP 99 N -0.86 1.90 -0.34 1.61 3.85 -1.26 -0.44 116.55 121.01 3iqz n ASP 99 Ca 0.00 -0.93 0.00 0.00 -0.71 0.00 0.00 54.79 53.15 3iqz n ASP 99 Cb 0.00 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 39.91 3iqz n ASP 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3iqz h ALA 100 N 1.00 1.24 -0.05 2.12 0.00 -1.77 -1.38 119.26 120.43 3iqz h ALA 100 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3iqz h ALA 100 Cb 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3iqz h ALA 100 CO 0.00 0.42 0.15 -1.35 0.00 0.00 0.00 179.25 178.47 3iqz h PRO 101 N 1.12 0.00 -0.01 0.00 0.11 -1.95 0.29 132.00 131.56 3iqz h PRO 101 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3iqz h PRO 101 Cb 0.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 3iqz h PRO 101 CO -0.14 0.00 0.05 0.78 -0.21 0.00 0.00 178.00 178.48 3iqz h GLY 102 N 0.00 0.00 2.00 -0.55 0.00 -1.60 -2.79 103.07 100.13 3iqz h GLY 102 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3iqz h GLY 102 CO -0.00 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.92 3iqz h LEU 103 N 0.00 0.00 -2.12 3.11 3.38 -1.11 -1.54 115.31 117.03 3iqz h LEU 103 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3iqz h LEU 103 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3iqz h LEU 103 CO -0.00 0.03 0.02 0.11 0.09 0.00 0.00 178.44 178.69 3iqz h LYS 104 N 0.00 0.00 -0.11 1.13 1.57 -1.72 -2.56 116.57 114.89 3iqz h LYS 104 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3iqz h LYS 104 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3iqz h LYS 104 CO 0.00 0.00 -0.02 1.33 -0.57 0.00 0.00 179.45 180.19 3iqz n VAL 105 N -4.35 2.08 0.01 0.50 0.24 -0.60 -4.73 118.33 111.48 3iqz n VAL 105 Ca -0.02 -2.18 -0.10 0.00 -2.04 0.00 0.00 64.34 60.00 3iqz n VAL 105 Cb 0.11 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 3iqz n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3iqz h LYS 106 N 0.75 -0.24 -0.71 7.34 3.64 -1.23 -0.58 116.57 125.53 3iqz h LYS 106 Ca 0.01 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3iqz h LYS 106 Cb 1.19 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 3iqz h LYS 106 CO 0.10 -0.16 0.34 -0.44 -2.27 0.00 0.00 179.45 177.02 3iqz h ASP 107 N -0.25 0.93 -0.72 4.20 3.32 -1.85 -2.19 116.42 119.86 3iqz h ASP 107 Ca 0.09 -0.13 0.09 0.00 0.02 0.00 0.00 57.03 57.09 3iqz h ASP 107 Cb 0.38 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 3iqz h ASP 107 CO -0.25 0.80 0.38 -0.08 -1.72 0.00 0.00 179.24 178.37 3iqz h GLU 108 N 1.00 0.63 -0.66 3.56 4.81 -1.80 -1.68 114.58 120.44 3iqz h GLU 108 Ca 0.24 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3iqz h GLU 108 Cb 0.12 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3iqz h GLU 108 CO -0.03 0.42 0.18 0.52 -0.73 0.00 0.00 179.01 179.37 3iqz h MET 109 N 0.65 1.03 -0.60 1.92 2.86 -0.50 0.10 114.93 120.40 3iqz h MET 109 Ca 0.35 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 3iqz h MET 109 Cb 0.33 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3iqz h MET 109 CO -0.25 0.90 0.04 0.93 1.06 0.00 0.00 176.91 179.58 3iqz h GLU 110 N 0.99 1.02 -0.32 1.72 5.08 -1.02 -1.44 114.58 120.61 3iqz h GLU 110 Ca 0.21 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3iqz h GLU 110 Cb 0.32 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3iqz h GLU 110 CO -0.00 0.97 -0.10 1.49 -1.00 0.00 0.00 179.01 180.37 3iqz h GLU 111 N 0.94 0.54 0.00 2.33 4.81 -0.86 -1.59 114.58 120.76 3iqz h GLU 111 Ca 0.18 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3iqz h GLU 111 Cb 0.50 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3iqz h GLU 111 CO 0.02 0.64 0.00 1.04 -0.73 0.00 0.00 179.01 179.98 3iqz n GLN 112 N -4.21 0.07 -1.06 1.92 6.02 0.31 -4.90 117.38 115.53 3iqz n GLN 112 Ca 0.01 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 3iqz n GLN 112 Cb 0.31 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3iqz n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iqz n GLY 113 N 0.61 0.39 3.90 1.08 0.00 -0.60 -4.80 105.19 105.77 3iqz n GLY 113 Ca 0.05 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3iqz n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iqz s LEU 114 N 0.00 4.33 0.63 0.99 1.43 -0.62 -4.76 118.68 120.67 3iqz s LEU 114 Ca 0.00 0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.33 3iqz s LEU 114 Cb 0.00 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.55 3iqz s LEU 114 CO 0.00 0.24 0.97 -0.83 0.23 0.00 0.00 176.35 176.96 3iqz s GLY 115 N -2.07 1.61 0.08 -3.19 0.00 -0.43 -4.38 107.32 98.93 3iqz s GLY 115 Ca 0.29 -0.50 -0.15 0.00 0.00 0.00 0.00 44.72 44.36 3iqz s GLY 115 CO 0.21 -0.20 0.35 -2.52 0.00 0.00 0.00 173.10 170.94 3iqz s TYR 116 N -3.12 -0.15 -0.17 1.90 1.13 0.11 -0.44 117.35 116.60 3iqz s TYR 116 Ca 0.55 -0.05 -0.03 0.00 -1.41 0.00 0.00 57.07 56.13 3iqz s TYR 116 Cb -0.11 0.17 0.06 0.00 -1.10 0.00 0.00 41.96 40.98 3iqz s TYR 116 CO 0.48 -0.59 0.04 0.42 -2.51 0.00 0.00 175.55 173.39 3iqz s ILE 117 N -3.09 0.37 -0.22 -3.49 1.01 -0.22 -1.29 121.20 114.27 3iqz s ILE 117 Ca -0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 3iqz s ILE 117 Cb 0.01 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 3iqz s ILE 117 CO -0.07 -0.17 0.02 -0.76 0.00 0.00 0.00 174.94 173.97 3iqz s LEU 118 N 1.93 3.30 -0.47 2.97 1.43 0.31 -1.61 118.68 126.55 3iqz s LEU 118 Ca 0.00 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 3iqz s LEU 118 Cb -0.16 -1.86 0.12 0.00 0.03 0.00 0.00 46.19 44.32 3iqz s LEU 118 CO -0.08 0.02 0.31 -0.69 0.23 0.00 0.00 176.35 176.14 3iqz s VAL 119 N 1.29 3.84 0.12 -1.59 1.01 0.41 -0.45 120.40 125.03 3iqz s VAL 119 Ca 0.04 -2.02 -0.20 0.00 0.00 0.00 0.00 61.98 59.81 3iqz s VAL 119 Cb -0.15 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3iqz s VAL 119 CO 0.02 -0.76 1.77 0.11 0.00 0.00 0.00 175.10 176.24 3iqz h LYS 120 N 8.15 0.23 0.00 2.72 1.57 -1.58 -2.21 116.57 125.45 3iqz h LYS 120 Ca -0.15 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3iqz h LYS 120 Cb 1.05 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3iqz h LYS 120 CO 0.78 0.15 0.00 -2.30 -0.57 0.00 0.00 179.45 177.51 3iqz n PRO 121 N -4.98 0.19 -2.04 3.15 -0.02 -1.26 -4.29 135.00 125.75 3iqz n PRO 121 Ca -0.03 0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 3iqz n PRO 121 Cb 0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3iqz n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iqz n ASP 122 N -1.05 4.44 -4.76 2.55 -0.08 -0.83 -4.36 116.55 112.46 3iqz n ASP 122 Ca 0.05 -2.96 -0.39 0.00 -1.51 0.00 0.00 54.79 49.98 3iqz n ASP 122 Cb 0.03 -1.59 -0.06 0.00 2.34 0.00 0.00 41.12 41.84 3iqz n ASP 122 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iqz s ALA 123 N 2.04 3.28 0.37 -1.67 0.00 -1.26 -4.77 121.76 119.76 3iqz s ALA 123 Ca 0.44 0.65 -0.28 0.00 0.00 0.00 0.00 51.96 52.77 3iqz s ALA 123 Cb 0.11 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 3iqz s ALA 123 CO -0.04 0.09 1.44 -0.12 0.00 0.00 0.00 175.76 177.12 3iqz n MET 124 N 0.97 2.53 -2.36 0.00 1.56 -1.26 -4.90 117.12 113.65 3iqz n MET 124 Ca 0.00 0.89 -0.25 0.00 -0.27 0.00 0.00 57.70 58.07 3iqz n MET 124 Cb 0.48 -2.58 0.10 0.00 2.15 0.00 0.00 33.22 33.37 3iqz n MET 124 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 3iqz s LEU 125 N -1.82 2.92 -1.40 -0.89 0.05 -1.26 -4.51 118.68 111.77 3iqz s LEU 125 Ca 0.54 0.02 -0.13 0.00 0.05 0.00 0.00 54.13 54.61 3iqz s LEU 125 Cb -0.50 -2.45 0.08 0.00 -2.05 0.00 0.00 46.19 41.27 3iqz s LEU 125 CO 0.63 -1.88 2.10 0.61 -0.55 0.00 0.00 176.35 177.26 3iqz n GLY 126 N -2.98 4.39 2.88 -3.48 0.00 -1.26 -4.87 105.19 99.87 3iqz n GLY 126 Ca 0.12 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 3iqz n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iqz n ALA 127 N 5.66 4.48 -2.83 4.61 0.00 -1.26 -4.20 120.51 126.96 3iqz n ALA 127 Ca 0.48 -3.43 -0.32 0.00 0.00 0.00 0.00 53.44 50.18 3iqz n ALA 127 Cb 0.39 -3.54 -0.16 0.00 0.00 0.00 0.00 19.45 16.14 3iqz n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iqz s ARG 128 N 4.06 2.75 0.47 0.00 1.81 -1.26 -4.94 118.95 121.83 3iqz s ARG 128 Ca 0.53 -0.84 0.22 0.00 -1.72 0.00 0.00 55.73 53.91 3iqz s ARG 128 Cb 0.14 -2.28 1.22 0.00 -0.45 0.00 0.00 34.95 33.58 3iqz s ARG 128 CO 0.02 0.36 1.90 -0.09 -0.68 0.00 0.00 175.30 176.81 3iqz h ARG 129 N 6.17 0.24 0.00 3.54 2.43 -1.89 0.11 114.38 124.98 3iqz h ARG 129 Ca -0.31 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3iqz h ARG 129 Cb 1.19 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3iqz h ARG 129 CO 0.49 0.16 0.00 0.93 -1.51 0.00 0.00 179.97 180.04 3iqz h GLU 130 N 0.25 0.00 0.00 0.20 3.07 -1.95 -3.35 114.58 112.79 3iqz h GLU 130 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3iqz h GLU 130 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3iqz h GLU 130 CO -0.09 0.00 -0.98 0.34 -1.40 0.00 0.00 179.01 176.88 3iqz n PHE 131 N -2.66 0.00 -2.95 4.33 7.35 -0.41 -4.97 117.46 118.14 3iqz n PHE 131 Ca 0.01 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.26 3iqz n PHE 131 Cb 0.25 0.01 -0.04 0.00 0.35 0.00 0.00 39.48 40.05 3iqz n PHE 131 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iqz s LEU 132 N -5.58 4.83 0.00 -2.13 2.96 0.26 -4.85 118.68 114.17 3iqz s LEU 132 Ca 0.00 -1.32 0.08 0.00 -0.22 0.00 0.00 54.13 52.67 3iqz s LEU 132 Cb 0.00 -2.38 0.08 0.00 0.50 0.00 0.00 46.19 44.39 3iqz s LEU 132 CO 0.00 -1.27 0.64 -0.90 -1.32 0.00 0.00 176.35 173.50 3iqz n ASP 133 N 7.05 1.74 -0.21 3.68 5.75 -1.26 -4.70 116.55 128.60 3iqz n ASP 133 Ca -0.01 -2.26 -0.03 0.00 -0.01 0.00 0.00 54.79 52.48 3iqz n ASP 133 Cb 0.45 -0.33 0.07 0.00 -1.03 0.00 0.00 41.12 40.28 3iqz n ASP 133 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3iqz h PRO 134 N 0.00 0.66 -0.56 0.11 0.11 -1.99 -0.97 132.00 129.35 3iqz h PRO 134 Ca -0.22 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.87 3iqz h PRO 134 Cb 1.01 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 3iqz h PRO 134 CO 0.32 0.44 0.35 0.28 -0.21 0.00 0.00 178.00 179.18 3iqz h VAL 135 N 0.68 1.09 -0.73 3.15 2.07 -1.98 -0.85 116.25 119.67 3iqz h VAL 135 Ca 0.26 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 3iqz h VAL 135 Cb 0.09 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 3iqz h VAL 135 CO -0.14 0.13 0.21 -0.08 0.02 0.00 0.00 177.57 177.71 3iqz h GLU 136 N 0.71 1.15 -0.83 1.57 4.57 -1.81 -0.74 114.58 119.19 3iqz h GLU 136 Ca 0.22 -0.26 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3iqz h GLU 136 Cb -0.01 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.37 3iqz h GLU 136 CO -0.08 0.99 0.55 1.98 -1.18 0.00 0.00 179.01 181.27 3iqz h MET 137 N 1.10 1.07 -0.42 1.92 4.05 -0.81 -0.99 114.93 120.85 3iqz h MET 137 Ca 0.23 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.48 3iqz h MET 137 Cb 0.33 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 3iqz h MET 137 CO -0.00 0.71 -0.16 0.00 0.23 0.00 0.00 176.91 177.69 3iqz h ALA 138 N 1.31 0.58 -0.33 0.39 0.00 -0.90 -2.05 119.26 118.26 3iqz h ALA 138 Ca 0.31 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3iqz h ALA 138 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3iqz h ALA 138 CO -0.08 0.51 0.20 0.82 0.00 0.00 0.00 179.25 180.71 3iqz h ILE 139 N 0.67 1.06 -0.64 0.00 2.04 -0.93 0.11 117.51 119.82 3iqz h ILE 139 Ca 0.10 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3iqz h ILE 139 Cb 0.70 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 3iqz h ILE 139 CO 0.05 0.08 0.33 0.22 0.00 0.00 0.00 178.15 178.83 3iqz h TYR 140 N 0.42 0.61 -0.10 1.37 3.20 -1.18 -1.40 116.97 119.89 3iqz h TYR 140 Ca 0.13 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 3iqz h TYR 140 Cb -0.02 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 3iqz h TYR 140 CO -0.07 0.28 -0.28 -0.91 -1.64 0.00 0.00 178.16 175.54 3iqz h ASN 141 N 0.61 0.18 -0.27 -2.11 2.35 -0.75 -0.48 115.58 115.13 3iqz h ASN 141 Ca 0.29 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 3iqz h ASN 141 Cb 0.22 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3iqz h ASN 141 CO -0.20 0.46 -0.03 0.00 -1.65 0.00 0.00 177.43 176.02 3iqz h ALA 142 N 1.55 0.36 -0.37 -0.83 0.00 -0.17 -0.85 119.26 118.95 3iqz h ALA 142 Ca 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3iqz h ALA 142 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3iqz h ALA 142 CO 0.04 0.13 0.22 -0.44 0.00 0.00 0.00 179.25 179.21 3iqz h ASP 143 N 0.26 0.45 -0.59 0.00 3.32 -0.95 -2.01 116.42 116.89 3iqz h ASP 143 Ca 0.07 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3iqz h ASP 143 Cb 0.48 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3iqz h ASP 143 CO 0.02 0.37 0.36 0.25 -1.72 0.00 0.00 179.24 178.51 3iqz h LEU 144 N 0.49 0.71 -0.45 1.55 5.85 -1.07 -0.75 115.31 121.64 3iqz h LEU 144 Ca 0.13 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3iqz h LEU 144 Cb 0.00 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3iqz h LEU 144 CO -0.03 0.56 0.19 -0.03 -0.34 0.00 0.00 178.44 178.79 3iqz h MET 145 N 0.80 0.66 -0.77 1.25 4.05 -1.08 0.16 114.93 120.01 3iqz h MET 145 Ca 0.21 -0.12 0.03 0.00 -0.28 0.00 0.00 59.70 59.55 3iqz h MET 145 Cb -0.02 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 3iqz h MET 145 CO -0.04 0.60 0.49 -0.22 0.23 0.00 0.00 176.91 177.96 3iqz h LYS 146 N 0.58 0.92 -0.25 0.39 1.63 -1.11 0.54 116.57 119.27 3iqz h LYS 146 Ca 0.15 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 3iqz h LYS 146 Cb 0.18 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3iqz h LYS 146 CO -0.01 0.61 0.13 0.28 -3.45 0.00 0.00 179.45 177.01 3iqz h VAL 147 N 0.95 1.13 -0.03 2.00 2.07 -0.39 0.97 116.25 122.94 3iqz h VAL 147 Ca 0.31 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 3iqz h VAL 147 Cb 0.01 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3iqz h VAL 147 CO -0.11 0.12 -0.57 -0.07 0.02 0.00 0.00 177.57 176.96 3iqz h LEU 148 N 0.29 0.10 0.17 2.57 3.38 -0.35 -2.37 115.31 119.09 3iqz h LEU 148 Ca 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3iqz h LEU 148 Cb 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3iqz h LEU 148 CO -0.01 0.65 -0.08 0.00 0.09 0.00 0.00 178.44 179.09 3iqz h ALA 149 N 1.35 -0.27 0.00 1.53 0.00 -0.83 -0.98 119.26 120.06 3iqz h ALA 149 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iqz h ALA 149 Cb 1.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3iqz h ALA 149 CO 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3iqz h ALA 150 N -1.28 1.00 0.00 0.00 0.00 -0.86 -1.43 119.26 116.69 3iqz h ALA 150 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iqz h ALA 150 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iqz h ALA 150 CO 0.04 0.00 -0.32 0.25 0.00 0.00 0.00 179.25 179.22 3iqz n THR 151 N -2.70 0.23 -0.04 0.00 -2.24 -0.89 -4.69 114.28 103.94 3iqz n THR 151 Ca 0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3iqz n THR 151 Cb 0.24 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 3iqz n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iqz n GLY 152 N 1.41 0.37 0.23 3.38 0.00 -0.54 -4.98 105.19 105.07 3iqz n GLY 152 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 3iqz n GLY 152 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iqz h VAL 153 N 0.00 0.74 -0.35 1.61 2.07 -1.70 -0.85 116.25 117.77 3iqz h VAL 153 Ca 0.00 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.44 3iqz h VAL 153 Cb 0.00 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3iqz h VAL 153 CO 0.00 0.06 0.24 -0.26 0.02 0.00 0.00 177.57 177.63 3iqz h PHE 154 N 0.36 0.31 -0.58 1.57 0.05 -1.44 -0.68 116.94 116.53 3iqz h PHE 154 Ca 0.30 0.01 -0.06 0.00 3.82 0.00 0.00 57.97 62.04 3iqz h PHE 154 Cb 0.38 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 38.21 3iqz h PHE 154 CO -0.19 0.18 0.13 -0.09 -0.18 0.00 0.00 178.31 178.16 3iqz h ARG 155 N 0.32 0.93 -0.60 1.51 2.43 -1.45 0.18 114.38 117.68 3iqz h ARG 155 Ca 0.15 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3iqz h ARG 155 Cb 0.20 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3iqz h ARG 155 CO -0.03 0.87 0.36 0.28 -1.51 0.00 0.00 179.97 179.93 3iqz h VAL 156 N 0.83 1.05 -0.44 0.20 2.07 -0.67 -0.31 116.25 118.98 3iqz h VAL 156 Ca 0.18 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3iqz h VAL 156 Cb 0.36 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3iqz h VAL 156 CO 0.00 0.13 0.06 0.58 0.02 0.00 0.00 177.57 178.36 3iqz h VAL 157 N 0.70 1.25 -0.55 2.57 2.07 -1.06 -1.89 116.25 119.34 3iqz h VAL 157 Ca 0.25 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.92 3iqz h VAL 157 Cb 0.05 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3iqz h VAL 157 CO -0.12 0.32 0.21 -0.61 0.02 0.00 0.00 177.57 177.40 3iqz h GLN 158 N 0.59 0.39 -0.29 1.57 4.15 -0.29 -2.11 115.11 119.13 3iqz h GLN 158 Ca 0.13 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 3iqz h GLN 158 Cb 0.40 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3iqz h GLN 158 CO 0.01 0.26 0.15 0.93 -1.93 0.00 0.00 178.83 178.25 3iqz h GLU 159 N 0.40 0.42 -0.28 1.69 5.08 -0.82 -0.95 114.58 120.12 3iqz h GLU 159 Ca 0.27 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 3iqz h GLU 159 Cb 0.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3iqz h GLU 159 CO -0.26 0.38 0.08 0.00 -1.00 0.00 0.00 179.01 178.22 3iqz h ALA 160 N 1.01 0.31 -0.34 3.43 0.00 -1.07 -1.16 119.26 121.44 3iqz h ALA 160 Ca 0.10 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3iqz h ALA 160 Cb 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3iqz h ALA 160 CO -0.01 -0.32 -0.12 0.74 0.00 0.00 0.00 179.25 179.54 3iqz h PHE 161 N 0.20 0.64 -0.52 0.00 -1.00 -1.31 -2.49 116.94 112.47 3iqz h PHE 161 Ca 0.13 -0.10 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 3iqz h PHE 161 Cb 0.11 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 3iqz h PHE 161 CO -0.14 0.69 -0.09 -0.44 -1.61 0.00 0.00 178.31 176.72 3iqz h ASP 162 N 0.54 0.94 -0.55 2.17 3.45 -0.42 0.43 116.42 122.98 3iqz h ASP 162 Ca 0.10 -0.29 -0.01 0.00 0.43 0.00 0.00 57.03 57.26 3iqz h ASP 162 Cb 0.52 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 3iqz h ASP 162 CO 0.03 1.04 0.30 -0.33 -1.57 0.00 0.00 179.24 178.71 3iqz h GLU 163 N 0.85 0.76 -0.64 3.56 5.08 -1.20 -1.81 114.58 121.18 3iqz h GLU 163 Ca 0.14 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3iqz h GLU 163 Cb 0.62 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3iqz h GLU 163 CO 0.04 0.59 0.18 1.25 -1.00 0.00 0.00 179.01 180.07 3iqz h LEU 164 N 0.73 0.95 -1.01 1.33 5.85 -0.95 -2.53 115.31 119.68 3iqz h LEU 164 Ca 0.19 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3iqz h LEU 164 Cb 0.05 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3iqz h LEU 164 CO -0.03 0.92 0.53 0.40 -0.34 0.00 0.00 178.44 179.92 3iqz h ILE 165 N 0.94 1.25 -0.89 4.05 2.04 -0.70 -0.01 117.51 124.19 3iqz h ILE 165 Ca 0.20 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3iqz h ILE 165 Cb 0.32 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 3iqz h ILE 165 CO -0.00 0.26 0.53 -0.33 0.00 0.00 0.00 178.15 178.61 3iqz h GLU 166 N 1.23 1.21 -0.55 2.37 4.39 -1.06 -2.05 114.58 120.11 3iqz h GLU 166 Ca 0.32 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 3iqz h GLU 166 Cb -0.04 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.34 3iqz h GLU 166 CO -0.06 0.85 0.08 0.87 -1.16 0.00 0.00 179.01 179.59 3iqz h LYS 167 N 1.23 0.92 -0.24 2.33 1.79 -0.99 -1.77 116.57 119.84 3iqz h LYS 167 Ca 0.32 -0.26 0.05 0.00 -2.18 0.00 0.00 60.65 58.58 3iqz h LYS 167 Cb -0.04 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 3iqz h LYS 167 CO -0.06 0.90 0.17 0.00 -1.08 0.00 0.00 179.45 179.38 3iqz h ALA 168 N 0.99 2.10 0.00 3.86 0.00 -0.60 -1.01 119.26 124.60 3iqz h ALA 168 Ca 0.17 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3iqz h ALA 168 Cb 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3iqz h ALA 168 CO 0.01 -0.16 -0.87 0.87 0.00 0.00 0.00 179.25 179.11 3iqz h LYS 169 N 0.10 0.00 0.00 0.00 1.57 -0.95 -2.48 116.57 114.81 3iqz h LYS 169 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3iqz h LYS 169 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3iqz h LYS 169 CO -0.01 0.61 0.00 0.39 -0.57 0.00 0.00 179.45 179.87 3iqz n GLU 170 N -3.20 0.17 0.00 3.15 -0.58 -0.48 -4.91 120.64 114.79 3iqz n GLU 170 Ca -0.02 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3iqz n GLU 170 Cb 0.83 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 3iqz n GLU 170 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3iqz n ASP 171 N -1.37 0.00 -3.90 1.62 4.64 -0.61 -4.98 116.55 111.94 3iqz n ASP 171 Ca 0.08 0.00 -0.24 0.00 -1.38 0.00 0.00 54.79 53.24 3iqz n ASP 171 Cb 0.19 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.10 3iqz n ASP 171 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3iqz s GLU 172 N -0.42 1.26 -0.40 -0.67 8.01 -1.24 -5.01 118.70 120.22 3iqz s GLU 172 Ca 0.00 -0.19 -0.07 0.00 0.01 0.00 0.00 54.97 54.73 3iqz s GLU 172 Cb 0.00 -1.31 0.08 0.00 -4.31 0.00 0.00 34.13 28.60 3iqz s GLU 172 CO 0.00 -0.19 0.21 0.42 0.01 0.00 0.00 175.26 175.71 3iqz s ILE 173 N 1.43 3.83 0.61 -1.63 1.01 -1.26 -4.73 121.20 120.45 3iqz s ILE 173 Ca -0.01 -1.55 -0.05 0.00 0.00 0.00 0.00 60.65 59.04 3iqz s ILE 173 Cb -0.13 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 38.98 3iqz s ILE 173 CO -0.04 -0.49 0.90 -0.94 0.00 0.00 0.00 174.94 174.36 3iqz s SER 174 N 1.92 5.33 0.54 3.58 1.04 -1.26 -4.92 113.70 119.94 3iqz s SER 174 Ca 0.03 0.50 0.24 0.00 0.48 0.00 0.00 55.95 57.20 3iqz s SER 174 Cb -0.22 -1.39 1.42 0.00 0.10 0.00 0.00 66.02 65.92 3iqz s SER 174 CO 0.00 -1.20 2.04 -0.33 0.98 0.00 0.00 173.24 174.73 3iqz h GLU 175 N -0.22 0.00 0.00 4.02 5.08 -1.98 -0.82 114.58 120.66 3iqz h GLU 175 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3iqz h GLU 175 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3iqz h GLU 175 CO 0.59 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.69 3iqz h ASN 176 N 0.00 0.00 0.35 1.42 2.35 -1.98 -2.77 115.58 114.96 3iqz h ASN 176 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3iqz h ASN 176 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3iqz h ASN 176 CO -0.00 0.00 -1.59 0.47 -1.65 0.00 0.00 177.43 174.66 3iqz n ASP 177 N -2.45 0.34 -4.73 5.81 10.43 -0.32 -4.94 116.55 120.70 3iqz n ASP 177 Ca 0.00 0.07 -0.42 0.00 2.57 0.00 0.00 54.79 57.02 3iqz n ASP 177 Cb 0.16 1.39 -0.03 0.00 1.84 0.00 0.00 41.12 44.48 3iqz n ASP 177 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iqz s LEU 178 N -4.72 4.39 0.50 0.64 1.43 -1.05 -4.82 118.68 115.05 3iqz s LEU 178 Ca -0.04 2.37 -0.23 0.00 -1.03 0.00 0.00 54.13 55.20 3iqz s LEU 178 Cb 0.13 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 3iqz s LEU 178 CO 0.86 -0.60 1.32 -2.16 0.23 0.00 0.00 176.35 176.01 3iqz s PRO 179 N 0.47 3.45 -0.45 1.29 0.04 -1.26 -4.83 135.00 133.71 3iqz s PRO 179 Ca 0.61 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.84 3iqz s PRO 179 Cb -0.37 -2.41 0.17 0.00 0.04 0.00 0.00 34.50 31.93 3iqz s PRO 179 CO 0.34 -0.92 0.34 0.15 0.04 0.00 0.00 177.00 176.96 3iqz s LYS 180 N -2.72 1.11 -0.04 4.56 1.02 -1.20 0.09 119.74 122.57 3iqz s LYS 180 Ca 0.67 -2.21 0.07 0.00 0.02 0.00 0.00 55.97 54.51 3iqz s LYS 180 Cb -0.38 -1.74 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 3iqz s LYS 180 CO 0.46 -1.35 -0.24 -0.51 -0.92 0.00 0.00 175.35 172.80 3iqz s LEU 181 N -0.05 2.05 -0.21 3.17 1.43 -0.41 -4.98 118.68 119.68 3iqz s LEU 181 Ca 0.29 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3iqz s LEU 181 Cb -0.01 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.94 3iqz s LEU 181 CO -0.16 0.26 -0.17 -0.69 0.23 0.00 0.00 176.35 175.82 3iqz s VAL 182 N -0.32 2.10 -0.14 -1.59 1.01 -1.26 -0.53 120.40 119.67 3iqz s VAL 182 Ca 0.02 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 3iqz s VAL 182 Cb -0.12 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3iqz s VAL 182 CO 0.02 0.36 -0.02 -0.63 0.00 0.00 0.00 175.10 174.83 3iqz s ILE 183 N 1.23 4.09 0.01 2.22 1.01 0.40 -4.93 121.20 125.23 3iqz s ILE 183 Ca 0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 3iqz s ILE 183 Cb -0.15 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.54 3iqz s ILE 183 CO -0.10 0.52 0.01 -0.90 0.00 0.00 0.00 174.94 174.47 3iqz n ASP 184 N 3.16 -0.04 -0.25 3.58 5.68 -1.26 -1.54 116.55 125.87 3iqz n ASP 184 Ca -0.18 -1.04 0.04 0.00 -0.50 0.00 0.00 54.79 53.12 3iqz n ASP 184 Cb 0.53 0.07 0.14 0.00 -1.14 0.00 0.00 41.12 40.72 3iqz n ASP 184 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3iqz h ARG 185 N 0.00 0.08 0.00 0.11 2.43 -1.89 -0.54 114.38 114.57 3iqz h ARG 185 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3iqz h ARG 185 Cb 0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3iqz h ARG 185 CO 0.01 0.05 0.00 0.09 -1.51 0.00 0.00 179.97 178.61 3iqz n ASN 186 N -5.38 0.42 -0.09 -3.80 3.02 -1.26 -2.73 115.26 105.45 3iqz n ASN 186 Ca 0.13 0.60 0.13 0.00 -0.03 0.00 0.00 54.58 55.41 3iqz n ASN 186 Cb 0.45 -0.69 0.51 0.00 -0.61 0.00 0.00 39.78 39.44 3iqz n ASN 186 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3iqz h THR 187 N 0.00 0.88 0.00 3.41 2.02 -1.45 -1.88 112.91 115.89 3iqz h THR 187 Ca 0.00 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 3iqz h THR 187 Cb 0.33 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3iqz h THR 187 CO 0.00 0.07 -0.41 -0.07 0.37 0.00 0.00 175.52 175.48 3iqz h LEU 188 N 0.38 0.00 -2.71 2.58 3.38 -1.67 -2.22 115.31 115.05 3iqz h LEU 188 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3iqz h LEU 188 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3iqz h LEU 188 CO -0.08 0.41 0.03 -0.07 0.09 0.00 0.00 178.44 178.82 3iqz h LEU 189 N 0.00 0.00 -1.82 1.67 3.38 -1.55 -2.33 115.31 114.67 3iqz h LEU 189 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iqz h LEU 189 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3iqz h LEU 189 CO 0.05 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 3iqz n GLU 190 N -3.40 2.20 -4.11 1.13 1.02 -0.84 -4.98 120.64 111.67 3iqz n GLU 190 Ca -0.03 -1.80 -0.26 0.00 -0.02 0.00 0.00 57.16 55.06 3iqz n GLU 190 Cb 0.10 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 3iqz n GLU 190 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3iqz s ARG 191 N -1.71 2.25 -0.28 3.49 0.52 -0.88 -5.03 118.95 117.31 3iqz s ARG 191 Ca 0.35 -1.94 0.08 0.00 -0.52 0.00 0.00 55.73 53.70 3iqz s ARG 191 Cb 0.21 -1.98 0.46 0.00 0.52 0.00 0.00 34.95 34.15 3iqz s ARG 191 CO 0.30 -0.28 1.19 0.39 0.02 0.00 0.00 175.30 176.92 3iqz n GLU 192 N -1.39 3.33 0.13 3.54 -0.58 -1.26 -4.84 120.64 119.56 3iqz n GLU 192 Ca -0.03 -4.05 -0.14 0.00 -0.42 0.00 0.00 57.16 52.52 3iqz n GLU 192 Cb 0.65 -2.18 -0.08 0.00 -0.57 0.00 0.00 31.44 29.26 3iqz n GLU 192 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3iqz h GLU 193 N 2.08 -0.25 -5.17 3.49 4.57 -1.96 -3.43 114.58 113.91 3iqz h GLU 193 Ca 0.31 0.02 -0.61 0.00 -1.18 0.00 0.00 59.36 57.89 3iqz h GLU 193 Cb 1.48 0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 29.98 3iqz h GLU 193 CO 0.66 -0.11 -0.52 -0.06 -1.18 0.00 0.00 179.01 177.80 3iqz s PHE 194 N -5.88 3.32 0.23 0.92 0.08 -1.26 -4.59 117.98 110.80 3iqz s PHE 194 Ca -0.14 0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.07 3iqz s PHE 194 Cb 0.05 -2.20 0.25 0.00 -0.57 0.00 0.00 43.02 40.55 3iqz s PHE 194 CO 0.64 0.13 1.67 1.49 -0.10 0.00 0.00 175.22 179.05 3iqz h GLU 195 N 7.14 0.73 -5.16 0.44 4.22 -1.84 -3.43 114.58 116.69 3iqz h GLU 195 Ca -0.39 -0.27 -0.62 0.00 0.08 0.00 0.00 59.36 58.16 3iqz h GLU 195 Cb 1.16 -0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 3iqz h GLU 195 CO 0.69 0.86 -0.35 1.21 -2.18 0.00 0.00 179.01 179.24 3iqz s ASN 196 N -6.74 6.22 0.53 1.04 2.47 -1.26 -4.98 114.94 112.22 3iqz s ASN 196 Ca -0.09 0.24 0.24 0.00 0.42 0.00 0.00 52.86 53.67 3iqz s ASN 196 Cb 0.13 -2.17 1.44 0.00 -1.45 0.00 0.00 41.25 39.21 3iqz s ASN 196 CO 0.82 -0.06 2.12 1.55 -3.72 0.00 0.00 177.10 177.81 3iqz h PRO 197 N 7.82 0.00 0.00 0.43 0.13 -2.00 -0.77 132.00 137.61 3iqz h PRO 197 Ca -0.35 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.67 3iqz h PRO 197 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3iqz h PRO 197 CO 0.65 0.09 -0.53 1.88 -0.23 0.00 0.00 178.00 179.86 3iqz h TYR 198 N 0.00 0.00 -0.35 1.56 0.05 -1.98 -1.62 116.97 114.63 3iqz h TYR 198 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 3iqz h TYR 198 Cb 0.19 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3iqz h TYR 198 CO 0.00 0.53 0.08 0.00 -1.05 0.00 0.00 178.16 177.72 3iqz h ALA 199 N 1.47 0.47 -0.08 3.88 0.00 -1.47 -0.94 119.26 122.59 3iqz h ALA 199 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3iqz h ALA 199 Cb 1.01 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3iqz h ALA 199 CO 0.07 0.14 -0.19 1.98 0.00 0.00 0.00 179.25 181.25 3iqz h MET 200 N 0.42 -0.26 0.00 0.00 1.85 -1.19 -0.78 114.93 114.98 3iqz h MET 200 Ca 0.11 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.17 3iqz h MET 200 Cb 0.31 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.39 3iqz h MET 200 CO 0.00 -0.17 -0.22 -0.39 -0.40 0.00 0.00 176.91 175.73 3iqz h VAL 201 N -0.27 0.57 -0.17 -5.77 -1.51 -1.15 0.25 116.25 108.21 3iqz h VAL 201 Ca 0.08 -1.10 -0.18 0.00 -1.23 0.00 0.00 66.70 64.27 3iqz h VAL 201 Cb 0.38 1.74 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 3iqz h VAL 201 CO -0.23 0.22 -0.64 0.11 -1.23 0.00 0.00 177.57 175.80 3iqz h LYS 202 N 0.00 0.61 -0.16 5.19 1.57 -1.05 -1.52 116.57 121.22 3iqz h LYS 202 Ca -0.00 -0.44 -0.10 0.00 -1.87 0.00 0.00 60.65 58.24 3iqz h LYS 202 Cb 0.72 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3iqz h LYS 202 CO 0.03 1.06 -0.35 0.00 -0.57 0.00 0.00 179.45 179.62 3iqz h ALA 203 N 0.84 1.12 -0.40 3.86 0.00 -0.59 -1.52 119.26 122.56 3iqz h ALA 203 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3iqz h ALA 203 Cb 1.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3iqz h ALA 203 CO 0.12 0.57 0.14 0.52 0.00 0.00 0.00 179.25 180.59 3iqz h MET 204 N 0.28 0.62 -0.40 0.00 2.86 -0.88 -1.95 114.93 115.46 3iqz h MET 204 Ca 0.03 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3iqz h MET 204 Cb 0.75 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 3iqz h MET 204 CO 0.06 0.61 0.25 0.00 1.06 0.00 0.00 176.91 178.88 3iqz h ALA 205 N 0.98 0.51 -0.47 6.32 0.00 -1.06 0.14 119.26 125.69 3iqz h ALA 205 Ca 0.13 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3iqz h ALA 205 Cb 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3iqz h ALA 205 CO -0.01 -0.08 0.20 0.00 0.00 0.00 0.00 179.25 179.37 3iqz h ALA 206 N 1.17 0.58 -0.32 0.00 0.00 -1.23 0.16 119.26 119.62 3iqz h ALA 206 Ca 0.16 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3iqz h ALA 206 Cb -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3iqz h ALA 206 CO -0.06 -0.17 -0.22 -0.07 0.00 0.00 0.00 179.25 178.72 3iqz h LEU 207 N 0.40 0.62 0.21 0.00 3.38 -0.68 -0.35 115.31 118.90 3iqz h LEU 207 Ca 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3iqz h LEU 207 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3iqz h LEU 207 CO -0.19 0.84 -0.10 -0.08 0.09 0.00 0.00 178.44 179.00 3iqz h GLU 208 N 0.55 -0.28 -0.12 1.13 4.57 -0.23 -0.30 114.58 119.90 3iqz h GLU 208 Ca 0.08 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3iqz h GLU 208 Cb 0.68 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 3iqz h GLU 208 CO 0.05 -0.18 0.07 0.82 -1.18 0.00 0.00 179.01 178.59 3iqz h ILE 209 N -0.29 1.06 -0.39 2.32 2.04 -0.52 -0.65 117.51 121.08 3iqz h ILE 209 Ca -0.03 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.75 3iqz h ILE 209 Cb 0.22 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.19 3iqz h ILE 209 CO 0.05 0.06 -0.10 0.00 0.00 0.00 0.00 178.15 178.16 3iqz h ALA 210 N 1.00 0.26 -0.65 1.87 0.00 -0.99 0.18 119.26 120.93 3iqz h ALA 210 Ca 0.04 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3iqz h ALA 210 Cb 0.03 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3iqz h ALA 210 CO -0.01 -0.45 0.40 1.49 0.00 0.00 0.00 179.25 180.68 3iqz h GLU 211 N -0.00 0.77 0.00 0.00 4.81 -0.81 -1.41 114.58 117.93 3iqz h GLU 211 Ca 0.19 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3iqz h GLU 211 Cb 0.29 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3iqz h GLU 211 CO -0.41 0.51 -0.06 -0.91 -0.73 0.00 0.00 179.01 177.41 3iqz h ASN 212 N 0.79 0.00 -0.88 1.04 2.35 -0.10 -2.75 115.58 116.02 3iqz h ASN 212 Ca 0.26 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 56.12 3iqz h ASN 212 Cb 0.02 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.32 3iqz h ASN 212 CO -0.10 0.06 0.57 0.58 -1.65 0.00 0.00 177.43 176.88 3iqz h VAL 213 N 0.00 0.92 -0.71 2.81 2.07 0.47 -2.89 116.25 118.92 3iqz h VAL 213 Ca -0.00 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3iqz h VAL 213 Cb 0.12 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 3iqz h VAL 213 CO 0.01 0.15 0.43 0.00 0.02 0.00 0.00 177.57 178.18 3iqz h ALA 214 N 1.57 0.94 -0.35 1.67 0.00 -1.54 -1.01 119.26 120.54 3iqz h ALA 214 Ca 0.42 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 3iqz h ALA 214 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iqz h ALA 214 CO -0.19 0.18 -0.24 -0.44 0.00 0.00 0.00 179.25 178.56 3iqz h ASP 215 N 0.83 0.71 -0.25 0.00 3.45 -1.68 -0.44 116.42 119.02 3iqz h ASP 215 Ca 0.30 -0.26 -0.00 0.00 0.43 0.00 0.00 57.03 57.50 3iqz h ASP 215 Cb 0.08 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 3iqz h ASP 215 CO -0.13 0.93 0.14 0.58 -1.57 0.00 0.00 179.24 179.18 3iqz h VAL 216 N 0.60 1.12 0.11 -1.35 2.07 -1.40 -0.52 116.25 116.89 3iqz h VAL 216 Ca 0.08 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3iqz h VAL 216 Cb 0.73 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3iqz h VAL 216 CO 0.06 0.12 -0.05 0.28 0.02 0.00 0.00 177.57 177.99 3iqz h SER 217 N 0.30 -0.13 -0.60 0.57 0.02 -0.97 -0.00 113.55 112.73 3iqz h SER 217 Ca 0.09 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 3iqz h SER 217 Cb 0.06 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 3iqz h SER 217 CO -0.01 -0.06 0.29 0.58 -1.14 0.00 0.00 176.83 176.49 3iqz h VAL 218 N -0.19 0.89 -0.32 2.27 2.07 -1.07 0.47 116.25 120.36 3iqz h VAL 218 Ca -0.02 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3iqz h VAL 218 Cb 0.15 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3iqz h VAL 218 CO 0.03 0.10 0.19 -0.08 0.02 0.00 0.00 177.57 177.82 3iqz h GLU 219 N 0.53 0.44 0.00 1.57 4.81 -0.73 -0.21 114.58 120.99 3iqz h GLU 219 Ca 0.28 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 3iqz h GLU 219 Cb 0.25 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3iqz h GLU 219 CO -0.22 0.34 -0.47 0.78 -0.73 0.00 0.00 179.01 178.71 3iqz h GLY 220 N 0.41 0.00 0.83 1.92 0.00 -0.05 -0.61 103.07 105.58 3iqz h GLY 220 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.12 3iqz h GLY 220 CO -0.02 0.00 -1.82 0.00 0.00 0.00 0.00 176.54 174.69 3iqz n PHE 222 N -3.22 0.00 0.01 0.00 3.72 -0.11 -4.90 117.46 112.97 3iqz n PHE 222 Ca -0.23 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.15 3iqz n PHE 222 Cb 1.05 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.58 3iqz n PHE 222 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3iqz n VAL 223 N -1.17 1.18 -2.12 -4.37 0.31 -0.94 -5.00 118.33 106.23 3iqz n VAL 223 Ca 0.00 0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 64.22 3iqz n VAL 223 Cb 0.02 -1.75 -0.03 0.00 -0.91 0.00 0.00 33.84 31.17 3iqz n VAL 223 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3iqz s GLU 224 N -2.14 4.29 -0.01 5.55 2.56 -0.28 -4.91 118.70 123.76 3iqz s GLU 224 Ca -0.08 2.14 0.13 0.00 0.00 0.00 0.00 54.97 57.16 3iqz s GLU 224 Cb 0.01 -3.25 -0.17 0.00 2.00 0.00 0.00 34.13 32.72 3iqz s GLU 224 CO 0.12 -0.49 0.41 1.04 -0.56 0.00 0.00 175.26 175.79 3iqz n GLN 225 N 4.06 1.57 -3.06 4.30 1.13 -1.26 -4.78 117.38 119.34 3iqz n GLN 225 Ca 0.12 -0.06 -0.43 0.00 -1.94 0.00 0.00 57.00 54.69 3iqz n GLN 225 Cb 0.42 -1.21 -0.06 0.00 0.11 0.00 0.00 30.24 29.49 3iqz n GLN 225 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3iqz s ASP 226 N -2.87 6.38 0.59 1.08 3.68 -1.26 -4.94 116.67 119.33 3iqz s ASP 226 Ca -0.00 -0.12 0.28 0.00 2.13 0.00 0.00 52.55 54.84 3iqz s ASP 226 Cb 0.09 -2.34 1.67 0.00 -1.45 0.00 0.00 42.92 40.89 3iqz s ASP 226 CO 0.54 -0.77 2.13 0.07 0.13 0.00 0.00 175.17 177.27 3iqz h LYS 227 N 8.78 0.00 0.00 4.34 2.10 -1.97 0.50 116.57 130.32 3iqz h LYS 227 Ca -0.25 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.38 3iqz h LYS 227 Cb 1.10 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3iqz h LYS 227 CO 0.90 0.00 -0.06 0.93 -2.00 0.00 0.00 179.45 179.22 3iqz h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -2.24 114.58 115.47 3iqz h GLU 228 Ca 0.07 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.02 3iqz h GLU 228 Cb 0.40 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 3iqz h GLU 228 CO -0.00 0.06 -2.47 0.54 -1.00 0.00 0.00 179.01 176.14 3iqz n ARG 229 N -3.45 0.61 0.12 2.33 1.74 0.14 -4.57 116.66 113.58 3iqz n ARG 229 Ca -0.02 0.19 -0.01 0.00 -0.77 0.00 0.00 57.85 57.24 3iqz n ARG 229 Cb 0.19 -1.49 0.24 0.00 -1.02 0.00 0.00 32.46 30.38 3iqz n ARG 229 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3iqz h TYR 230 N -0.39 0.18 0.28 -1.55 -0.00 -0.52 -2.55 116.97 112.42 3iqz h TYR 230 Ca -0.61 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.73 58.05 3iqz h TYR 230 Cb 1.77 -0.04 0.00 0.00 -0.00 0.00 0.00 36.73 38.46 3iqz h TYR 230 CO -0.02 0.57 -0.13 0.28 -0.00 0.00 0.00 178.16 178.86 3iqz h VAL 231 N 0.13 0.76 -0.90 -0.90 2.07 -1.66 -0.77 116.25 114.99 3iqz h VAL 231 Ca 0.01 -0.31 0.10 0.00 0.82 0.00 0.00 66.70 67.33 3iqz h VAL 231 Cb 0.83 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 3iqz h VAL 231 CO 0.06 0.07 0.53 -0.65 0.02 0.00 0.00 177.57 177.60 3iqz h PRO 232 N -0.54 0.85 -0.07 1.57 0.11 -1.80 -1.38 132.00 130.74 3iqz h PRO 232 Ca -0.04 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3iqz h PRO 232 Cb 0.40 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 3iqz h PRO 232 CO 0.06 0.56 0.04 0.82 -0.21 0.00 0.00 178.00 179.28 3iqz h ILE 233 N 0.87 1.03 -0.24 4.15 2.04 -1.01 0.31 117.51 124.67 3iqz h ILE 233 Ca 0.44 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 66.13 3iqz h ILE 233 Cb 0.41 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3iqz h ILE 233 CO -0.26 0.03 -0.30 -0.37 0.00 0.00 0.00 178.15 177.25 3iqz h VAL 234 N 0.08 1.28 -0.34 1.67 -1.51 -0.84 -2.48 116.25 114.11 3iqz h VAL 234 Ca 0.02 -1.35 -0.06 0.00 -1.23 0.00 0.00 66.70 64.08 3iqz h VAL 234 Cb 0.00 1.42 -0.02 0.00 -2.13 0.00 0.00 31.29 30.57 3iqz h VAL 234 CO -0.01 0.43 -0.05 0.00 -1.23 0.00 0.00 177.57 176.71 3iqz h ALA 235 N 1.27 1.28 -0.21 5.19 0.00 -0.82 -2.27 119.26 123.70 3iqz h ALA 235 Ca 0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3iqz h ALA 235 Cb 0.73 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3iqz h ALA 235 CO 0.06 0.48 -0.13 0.66 0.00 0.00 0.00 179.25 180.32 3iqz h SER 236 N 0.52 0.32 -0.82 0.00 4.64 -0.51 -2.01 113.55 115.69 3iqz h SER 236 Ca 0.10 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 3iqz h SER 236 Cb 0.42 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 3iqz h SER 236 CO 0.02 0.49 0.36 0.00 -0.87 0.00 0.00 176.83 176.82 3iqz h ALA 237 N 1.55 1.06 -0.69 5.18 0.00 -1.05 -1.73 119.26 123.58 3iqz h ALA 237 Ca 0.06 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3iqz h ALA 237 Cb 0.43 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3iqz h ALA 237 CO 0.02 0.66 0.14 0.45 0.00 0.00 0.00 179.25 180.53 3iqz h HIS 238 N 1.18 1.19 -0.80 0.00 3.86 -1.21 -2.25 115.15 117.12 3iqz h HIS 238 Ca 0.28 -0.15 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 3iqz h HIS 238 Cb 0.17 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.27 3iqz h HIS 238 CO 0.02 0.98 0.53 0.93 0.86 0.00 0.00 177.93 181.24 3iqz h GLU 239 N 1.05 0.98 0.30 2.45 4.39 -1.08 -1.15 114.58 121.53 3iqz h GLU 239 Ca 0.21 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 3iqz h GLU 239 Cb 0.40 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3iqz h GLU 239 CO 0.01 0.65 -0.21 0.52 -1.16 0.00 0.00 179.01 178.82 3iqz h MET 240 N 1.01 -0.48 -0.78 2.33 2.86 -1.13 -2.49 114.93 116.25 3iqz h MET 240 Ca 0.31 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.97 3iqz h MET 240 Cb 0.00 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3iqz h MET 240 CO -0.09 -0.32 0.41 1.98 1.06 0.00 0.00 176.91 179.95 3iqz h MET 241 N -0.50 1.09 -0.61 1.72 1.85 -1.13 0.13 114.93 117.48 3iqz h MET 241 Ca -0.03 -0.13 0.06 0.00 -0.61 0.00 0.00 59.70 59.00 3iqz h MET 241 Cb 0.43 -0.21 -0.06 0.00 0.43 0.00 0.00 31.60 32.19 3iqz h MET 241 CO 0.01 0.81 0.31 -0.09 -0.40 0.00 0.00 176.91 177.55 3iqz h ARG 242 N 1.09 0.55 -0.37 0.39 2.43 -1.18 -0.92 114.38 116.37 3iqz h ARG 242 Ca 0.27 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 3iqz h ARG 242 Cb 0.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3iqz h ARG 242 CO -0.04 0.37 -0.27 0.87 -1.51 0.00 0.00 179.97 179.38 3iqz h LYS 243 N 0.57 0.84 -1.00 0.20 1.79 -0.82 -2.22 116.57 115.92 3iqz h LYS 243 Ca 0.28 -0.41 0.22 0.00 -2.18 0.00 0.00 60.65 58.56 3iqz h LYS 243 Cb 0.22 -0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.76 3iqz h LYS 243 CO -0.20 1.05 0.62 0.00 -1.08 0.00 0.00 179.45 179.83 3iqz h ALA 244 N 0.78 1.85 -0.46 3.86 0.00 -0.29 -0.87 119.26 124.12 3iqz h ALA 244 Ca 0.07 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3iqz h ALA 244 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3iqz h ALA 244 CO 0.07 -0.25 -0.25 0.00 0.00 0.00 0.00 179.25 178.82 3iqz h ALA 245 N 1.66 0.65 -0.79 0.00 0.00 -0.94 -0.63 119.26 119.22 3iqz h ALA 245 Ca 0.59 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3iqz h ALA 245 Cb 1.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3iqz h ALA 245 CO -0.38 0.67 0.31 0.93 0.00 0.00 0.00 179.25 180.78 3iqz h GLU 246 N 0.83 1.19 -0.54 0.00 5.08 -0.77 0.67 114.58 121.05 3iqz h GLU 246 Ca 0.10 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3iqz h GLU 246 Cb 0.84 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3iqz h GLU 246 CO 0.07 0.97 0.31 -0.07 -1.00 0.00 0.00 179.01 179.29 3iqz h LEU 247 N 1.16 0.66 -0.43 1.33 3.38 -1.01 -0.07 115.31 120.33 3iqz h LEU 247 Ca 0.26 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3iqz h LEU 247 Cb 0.23 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3iqz h LEU 247 CO -0.02 0.54 0.04 0.00 0.09 0.00 0.00 178.44 179.09 3iqz h ALA 248 N 1.15 0.57 -0.26 1.53 0.00 -0.71 -0.72 119.26 120.82 3iqz h ALA 248 Ca 0.19 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3iqz h ALA 248 Cb 0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 3iqz h ALA 248 CO -0.03 0.32 -0.19 0.22 0.00 0.00 0.00 179.25 179.57 3iqz h ASP 249 N 0.58 -0.63 -0.86 0.00 3.58 -0.79 -2.16 116.42 116.14 3iqz h ASP 249 Ca 0.13 0.13 0.11 0.00 0.42 0.00 0.00 57.03 57.81 3iqz h ASP 249 Cb 0.43 0.31 -0.08 0.00 1.72 0.00 0.00 39.33 41.71 3iqz h ASP 249 CO 0.01 -0.23 0.50 -0.08 -2.88 0.00 0.00 179.24 176.56 3iqz h GLU 250 N -0.18 0.79 -0.26 0.28 4.81 -0.51 -1.54 114.58 117.96 3iqz h GLU 250 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3iqz h GLU 250 Cb 0.40 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3iqz h GLU 250 CO -0.37 0.52 0.17 0.00 -0.73 0.00 0.00 179.01 178.61 3iqz h ALA 251 N 1.48 0.33 -0.24 2.92 0.00 -0.86 -2.21 119.26 120.70 3iqz h ALA 251 Ca 0.43 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.34 3iqz h ALA 251 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3iqz h ALA 251 CO -0.26 -0.19 0.05 -0.09 0.00 0.00 0.00 179.25 178.76 3iqz h ARG 252 N 0.35 0.14 -0.92 0.00 2.43 -0.72 -2.06 114.38 113.60 3iqz h ARG 252 Ca 0.10 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.40 3iqz h ARG 252 Cb -0.03 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.40 3iqz h ARG 252 CO -0.02 0.09 0.54 0.93 -1.51 0.00 0.00 179.97 180.00 3iqz h GLU 253 N 0.14 0.77 -0.49 0.20 4.39 -1.23 -0.40 114.58 117.96 3iqz h GLU 253 Ca 0.11 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.83 3iqz h GLU 253 Cb 0.10 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.52 3iqz h GLU 253 CO -0.14 0.51 0.18 -0.07 -1.16 0.00 0.00 179.01 178.33 3iqz h LEU 254 N 0.79 0.18 -1.00 1.33 3.38 -0.90 -0.26 115.31 118.83 3iqz h LEU 254 Ca 0.48 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.48 3iqz h LEU 254 Cb 0.60 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3iqz h LEU 254 CO -0.32 0.13 0.33 -0.33 0.09 0.00 0.00 178.44 178.35 3iqz h GLU 255 N 0.35 1.04 -0.90 1.13 4.39 -0.51 -1.63 114.58 118.45 3iqz h GLU 255 Ca 0.23 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.84 3iqz h GLU 255 Cb 0.24 -0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 3iqz h GLU 255 CO -0.24 0.81 0.59 0.87 -1.16 0.00 0.00 179.01 179.89 3iqz h LYS 256 N 1.03 1.02 0.00 2.33 1.57 -0.45 0.53 116.57 122.59 3iqz h LYS 256 Ca 0.25 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3iqz h LYS 256 Cb 0.13 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3iqz h LYS 256 CO -0.03 0.67 0.00 0.66 -0.57 0.00 0.00 179.45 180.18 3iqz h SER 257 N 1.05 0.00 -0.27 0.86 4.64 -0.06 -0.15 113.55 119.62 3iqz h SER 257 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3iqz h SER 257 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3iqz h SER 257 CO -0.14 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.41 3iqz n ASN 258 N -2.50 3.19 -4.21 4.97 3.02 -1.01 -4.97 115.26 113.74 3iqz n ASN 258 Ca 0.02 -2.45 -0.30 0.00 -0.03 0.00 0.00 54.58 51.82 3iqz n ASN 258 Cb 0.25 -0.34 -0.07 0.00 -0.61 0.00 0.00 39.78 39.01 3iqz n ASN 258 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iqz n ASP 259 N -0.07 0.31 -0.94 6.41 2.03 -0.07 -4.86 116.55 119.37 3iqz n ASP 259 Ca 0.15 -1.19 0.05 0.00 0.52 0.00 0.00 54.79 54.32 3iqz n ASP 259 Cb 0.60 -2.08 0.11 0.00 -0.72 0.00 0.00 41.12 39.03 3iqz n ASP 259 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iqz n ALA 260 N -4.50 2.88 -2.53 -1.67 0.00 0.14 -3.91 120.51 110.92 3iqz n ALA 260 Ca -0.29 -2.67 -0.43 0.00 0.00 0.00 0.00 53.44 50.05 3iqz n ALA 260 Cb 0.68 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 3iqz n ALA 260 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iqz s VAL 261 N -1.58 4.22 0.09 0.00 1.01 -1.07 -4.60 120.40 118.47 3iqz s VAL 261 Ca 0.33 1.32 -0.31 0.00 0.00 0.00 0.00 61.98 63.32 3iqz s VAL 261 Cb 0.34 -4.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 3iqz s VAL 261 CO -0.10 -0.72 1.83 -0.22 0.00 0.00 0.00 175.10 175.89 3iqz s LEU 262 N 4.40 4.40 -0.06 3.92 2.96 -1.26 -4.40 118.68 128.64 3iqz s LEU 262 Ca 0.51 2.68 0.04 0.00 -0.22 0.00 0.00 54.13 57.14 3iqz s LEU 262 Cb -0.11 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.02 3iqz s LEU 262 CO 0.26 -1.00 -0.17 -0.13 -1.32 0.00 0.00 176.35 173.99 3iqz s ARG 263 N 3.18 1.98 -0.56 1.98 0.52 -0.52 -5.00 118.95 120.54 3iqz s ARG 263 Ca 0.81 -0.61 0.06 0.00 -0.52 0.00 0.00 55.73 55.48 3iqz s ARG 263 Cb -0.44 -1.65 0.23 0.00 0.52 0.00 0.00 34.95 33.62 3iqz s ARG 263 CO 0.37 0.18 0.62 0.25 0.02 0.00 0.00 175.30 176.74 3iqz n THR 264 N 3.38 1.13 -1.86 0.02 -2.24 -1.26 -1.89 114.28 111.55 3iqz n THR 264 Ca -0.20 -4.70 -0.32 0.00 -2.27 0.00 0.00 64.05 56.57 3iqz n THR 264 Cb 0.53 -2.04 0.02 0.00 -2.10 0.00 0.00 70.33 66.74 3iqz n THR 264 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iqz s PRO 265 N -1.80 3.22 0.30 -0.78 0.04 -1.23 -4.61 135.00 130.15 3iqz s PRO 265 Ca 0.36 1.05 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 3iqz s PRO 265 Cb 0.12 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 3iqz s PRO 265 CO -0.07 -0.88 0.89 -1.01 0.04 0.00 0.00 177.00 175.97 3iqz s HIS 266 N -2.77 3.65 0.54 0.56 3.76 -1.26 -0.69 115.29 119.08 3iqz s HIS 266 Ca 0.60 1.67 -0.06 0.00 -0.15 0.00 0.00 55.06 57.12 3iqz s HIS 266 Cb -0.14 -2.84 -0.02 0.00 1.11 0.00 0.00 32.58 30.69 3iqz s HIS 266 CO 0.45 0.22 0.85 0.00 -0.85 0.00 0.00 174.74 175.42 3iqz s ALA 267 N -1.63 3.33 0.55 -1.40 0.00 -0.00 -4.91 121.76 117.69 3iqz s ALA 267 Ca 0.49 -0.55 0.23 0.00 0.00 0.00 0.00 51.96 52.14 3iqz s ALA 267 Cb -0.17 -2.64 1.44 0.00 0.00 0.00 0.00 23.12 21.75 3iqz s ALA 267 CO 0.22 -0.57 2.08 -1.35 0.00 0.00 0.00 175.76 176.15 3iqz h PRO 268 N 0.01 0.00 -0.61 0.00 0.11 -1.90 0.30 132.00 129.91 3iqz h PRO 268 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3iqz h PRO 268 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iqz h PRO 268 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3iqz n ASP 269 N -4.25 1.55 0.00 -2.05 5.75 -1.26 0.09 116.55 116.37 3iqz n ASP 269 Ca 0.03 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 3iqz n ASP 269 Cb 0.35 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3iqz n ASP 269 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iqz n GLY 270 N 0.38 2.74 3.77 6.12 0.00 0.11 -4.78 105.19 113.53 3iqz n GLY 270 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3iqz n GLY 270 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iqz s LYS 271 N -0.19 4.16 -0.30 1.61 2.47 -1.25 -4.65 119.74 121.58 3iqz s LYS 271 Ca 0.00 2.51 -0.17 0.00 -1.56 0.00 0.00 55.97 56.74 3iqz s LYS 271 Cb 0.00 -2.99 -0.02 0.00 -1.46 0.00 0.00 37.83 33.36 3iqz s LYS 271 CO 0.00 -0.48 0.49 0.08 0.16 0.00 0.00 175.35 175.60 3iqz s VAL 272 N -1.03 5.07 0.60 4.02 1.01 -1.26 -0.82 120.40 127.98 3iqz s VAL 272 Ca 0.53 0.63 0.05 0.00 0.00 0.00 0.00 61.98 63.18 3iqz s VAL 272 Cb -0.45 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.15 3iqz s VAL 272 CO 0.60 -0.02 0.82 -0.76 0.00 0.00 0.00 175.10 175.75 3iqz s LEU 273 N 2.30 3.17 0.01 3.92 1.43 0.13 -4.97 118.68 124.68 3iqz s LEU 273 Ca 0.19 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 3iqz s LEU 273 Cb -0.16 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 43.97 3iqz s LEU 273 CO 0.11 -1.40 0.29 -0.55 0.23 0.00 0.00 176.35 175.03 3iqz s SER 274 N -4.60 -0.14 -0.00 2.29 0.15 -1.26 -3.55 113.70 106.59 3iqz s SER 274 Ca 0.62 -0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.92 3iqz s SER 274 Cb -0.07 0.32 0.10 0.00 -1.71 0.00 0.00 66.02 64.66 3iqz s SER 274 CO 0.40 -0.50 1.07 -1.59 1.20 0.00 0.00 173.24 173.81 3iqz s LYS 275 N -1.80 0.72 0.00 5.44 -2.85 -0.79 -0.71 119.74 119.74 3iqz s LYS 275 Ca -0.10 -0.34 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 3iqz s LYS 275 Cb -0.04 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 3iqz s LYS 275 CO 0.01 -0.32 0.00 0.54 0.10 0.00 0.00 175.35 175.68 3iqz n ARG 276 N -0.33 0.00 -2.67 1.78 5.12 -1.26 -1.44 116.66 117.86 3iqz n ARG 276 Ca -0.06 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.45 3iqz n ARG 276 Cb 0.61 -0.37 -0.05 0.00 -1.16 0.00 0.00 32.46 31.49 3iqz n ARG 276 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3iqz s LYS 277 N -1.93 4.72 0.22 5.56 1.02 -1.25 -2.58 119.74 125.50 3iqz s LYS 277 Ca 0.00 1.54 -0.09 0.00 0.02 0.00 0.00 55.97 57.44 3iqz s LYS 277 Cb 0.00 -3.32 0.32 0.00 -0.52 0.00 0.00 37.83 34.31 3iqz s LYS 277 CO 0.00 0.27 1.71 0.35 -0.92 0.00 0.00 175.35 176.76 3iqz h PHE 278 N 4.96 0.24 -0.00 3.18 3.04 -1.92 -0.87 116.94 125.57 3iqz h PHE 278 Ca -0.44 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.55 3iqz h PHE 278 Cb 1.21 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.71 3iqz h PHE 278 CO 0.63 -0.02 -0.02 -1.33 -2.02 0.00 0.00 178.31 175.55 3iqz n MET 279 N -5.11 1.05 -2.90 1.11 2.81 -1.26 -4.87 117.12 107.94 3iqz n MET 279 Ca 0.10 -0.27 -0.41 0.00 -1.81 0.00 0.00 57.70 55.31 3iqz n MET 279 Cb 0.34 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 3iqz n MET 279 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3iqz s GLU 280 N -2.14 4.46 0.32 0.03 2.12 -0.33 -5.01 118.70 118.15 3iqz s GLU 280 Ca 0.40 1.10 -0.29 0.00 0.36 0.00 0.00 54.97 56.55 3iqz s GLU 280 Cb 0.21 -3.47 -0.12 0.00 0.26 0.00 0.00 34.13 31.01 3iqz s GLU 280 CO 0.39 -0.04 1.46 -0.25 -0.54 0.00 0.00 175.26 176.29 3iqz n ASP 281 N 4.04 3.41 -4.76 -1.70 8.00 -1.26 -4.86 116.55 119.41 3iqz n ASP 281 Ca 0.02 1.18 -0.40 0.00 0.71 0.00 0.00 54.79 56.30 3iqz n ASP 281 Cb 0.51 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.02 3iqz n ASP 281 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3iqz s PRO 282 N -1.26 4.52 0.00 -0.24 0.04 -1.26 -4.84 135.00 131.96 3iqz s PRO 282 Ca 0.60 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3iqz s PRO 282 Cb -0.53 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 30.86 3iqz s PRO 282 CO 0.56 0.04 0.00 0.39 0.04 0.00 0.00 177.00 178.03