#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 4.19 0.26 12.58 1.01 -1.26 -4.69 120.40 132.50 3iqz s VAL 3 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 3iqz s VAL 3 Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 3iqz s VAL 3 CO 0.00 0.12 1.03 0.00 0.00 0.00 0.00 175.10 176.24 3iqz s ALA 4 N 1.55 3.38 0.06 5.51 0.00 -0.08 -4.90 121.76 127.28 3iqz s ALA 4 Ca 0.04 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.86 3iqz s ALA 4 Cb -0.17 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3iqz s ALA 4 CO 0.04 0.00 -0.23 0.15 0.00 0.00 0.00 175.76 175.72 3iqz s LYS 5 N -1.32 1.49 0.04 0.00 1.02 -1.26 -1.12 119.74 118.59 3iqz s LYS 5 Ca 0.43 -1.06 -0.15 0.00 0.02 0.00 0.00 55.97 55.20 3iqz s LYS 5 Cb -0.29 -1.68 0.03 0.00 -0.52 0.00 0.00 37.83 35.36 3iqz s LYS 5 CO 0.37 0.42 0.34 0.00 -0.92 0.00 0.00 175.35 175.57 3iqz s ALA 6 N -0.87 -0.80 -0.09 5.17 0.00 -1.07 -0.42 121.76 123.68 3iqz s ALA 6 Ca 0.09 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.20 3iqz s ALA 6 Cb -0.09 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 3iqz s ALA 6 CO 0.03 -0.42 -0.13 0.42 0.00 0.00 0.00 175.76 175.65 3iqz s ILE 7 N -2.47 3.08 -0.13 0.00 1.01 -1.10 -2.02 121.20 119.58 3iqz s ILE 7 Ca -0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 3iqz s ILE 7 Cb -0.01 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3iqz s ILE 7 CO -0.03 0.56 -0.03 -0.36 0.00 0.00 0.00 174.94 175.08 3iqz s PHE 8 N -0.23 3.04 -0.16 3.97 0.40 0.42 -0.82 117.98 124.61 3iqz s PHE 8 Ca 0.01 -0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 3iqz s PHE 8 Cb -0.13 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.52 3iqz s PHE 8 CO 0.03 0.13 -0.19 0.42 0.70 0.00 0.00 175.22 176.31 3iqz s ILE 9 N -0.07 2.26 -0.21 0.64 1.01 0.15 -0.74 121.20 124.24 3iqz s ILE 9 Ca 0.02 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3iqz s ILE 9 Cb -0.13 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.44 3iqz s ILE 9 CO 0.02 0.53 -0.16 -0.54 0.00 0.00 0.00 174.94 174.80 3iqz s LYS 10 N 0.97 2.69 -0.09 2.79 1.02 -0.35 -0.65 119.74 126.12 3iqz s LYS 10 Ca -0.03 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 54.94 3iqz s LYS 10 Cb -0.15 -2.70 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 3iqz s LYS 10 CO -0.04 -0.36 -0.15 0.00 -0.92 0.00 0.00 175.35 173.88 3iqz n GLY 12 N 3.99 -2.09 3.05 0.00 0.00 -0.39 -4.24 105.19 105.51 3iqz n GLY 12 Ca -0.20 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.33 -0.22 0.10 1.61 2.47 -1.26 -4.64 114.94 109.68 3iqz s ASN 13 Ca 0.00 0.45 0.05 0.00 0.42 0.00 0.00 52.86 53.78 3iqz s ASN 13 Cb 0.00 0.38 -0.04 0.00 -1.45 0.00 0.00 41.25 40.14 3iqz s ASN 13 CO 0.00 -0.13 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.36 3iqz s LEU 14 N 0.84 2.37 0.24 3.21 1.02 -1.26 -4.62 118.68 120.48 3iqz s LEU 14 Ca -0.06 -0.77 -0.04 0.00 0.02 0.00 0.00 54.13 53.28 3iqz s LEU 14 Cb -0.07 -0.49 0.44 0.00 0.02 0.00 0.00 46.19 46.09 3iqz s LEU 14 CO -0.05 -0.15 1.75 1.23 0.02 0.00 0.00 176.35 179.14 3iqz h GLY 15 N 3.71 1.17 1.62 -3.19 0.00 -1.94 -1.39 103.07 103.06 3iqz h GLY 15 Ca -0.39 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 46.60 3iqz h GLY 15 CO 0.49 -0.04 -0.53 -0.84 0.00 0.00 0.00 176.54 175.61 3iqz h THR 16 N 0.52 1.34 0.00 4.70 2.02 -1.96 -2.95 112.91 116.58 3iqz h THR 16 Ca 0.41 -1.80 -0.05 0.00 0.77 0.00 0.00 66.41 65.74 3iqz h THR 16 Cb 0.56 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3iqz h THR 16 CO -0.36 0.55 -0.34 0.77 0.37 0.00 0.00 175.52 176.51 3iqz h SER 17 N 0.31 0.00 0.08 4.18 4.64 -1.81 -0.93 113.55 120.02 3iqz h SER 17 Ca 0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3iqz h SER 17 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3iqz h SER 17 CO 0.09 0.21 -0.38 -0.03 -0.87 0.00 0.00 176.83 175.85 3iqz h MET 18 N 0.00 0.40 0.00 4.77 -1.53 -1.10 -3.30 114.93 114.17 3iqz h MET 18 Ca -0.01 -0.19 0.00 0.00 -3.44 0.00 0.00 59.70 56.06 3iqz h MET 18 Cb 1.17 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.21 3iqz h MET 18 CO 0.03 0.72 -0.67 -1.33 0.14 0.00 0.00 176.91 175.79 3iqz n MET 19 N -4.04 2.30 -0.23 0.39 2.81 -1.14 -4.76 117.12 112.45 3iqz n MET 19 Ca -0.01 -0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.90 3iqz n MET 19 Cb 0.48 -1.17 0.12 0.00 -0.71 0.00 0.00 33.22 31.94 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 0.12 -0.23 0.03 -0.00 -1.25 -0.77 114.93 112.83 3iqz h MET 20 Ca 0.00 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.70 59.53 3iqz h MET 20 Cb 0.34 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.91 3iqz h MET 20 CO 0.00 0.08 -0.53 0.38 -0.00 0.00 0.00 176.91 176.83 3iqz h ASP 21 N 0.12 0.73 0.51 -0.10 2.03 -1.85 -3.26 116.42 114.60 3iqz h ASP 21 Ca 0.36 -0.38 -0.13 0.00 -0.73 0.00 0.00 57.03 56.14 3iqz h ASP 21 Cb 0.60 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.88 3iqz h ASP 21 CO -0.58 1.12 -0.59 0.24 -1.03 0.00 0.00 179.24 178.40 3iqz h MET 22 N 0.51 0.08 0.00 4.15 2.86 -1.52 -2.13 114.93 118.88 3iqz h MET 22 Ca 0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3iqz h MET 22 Cb 1.09 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3iqz h MET 22 CO 0.11 0.65 0.07 -0.07 1.06 0.00 0.00 176.91 178.73 3iqz h LEU 23 N 0.06 0.00 -0.07 1.22 3.38 -1.25 -2.57 115.31 116.07 3iqz h LEU 23 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iqz h LEU 23 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3iqz h LEU 23 CO 0.08 0.00 -0.77 0.18 0.09 0.00 0.00 178.44 178.02 3iqz n LEU 24 N -2.52 0.89 -2.88 1.67 4.77 -0.80 -4.59 117.00 113.54 3iqz n LEU 24 Ca -0.02 -0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 55.51 3iqz n LEU 24 Cb 0.12 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3iqz n LEU 24 CO 0.12 0.21 0.13 -0.67 -1.33 0.00 0.00 177.39 175.85 3iqz n ASP 25 N -1.39 -1.52 0.28 -1.43 2.03 -0.97 -4.97 116.55 108.57 3iqz n ASP 25 Ca 0.05 -3.38 0.15 0.00 0.52 0.00 0.00 54.79 52.14 3iqz n ASP 25 Cb 0.34 1.11 0.79 0.00 -0.72 0.00 0.00 41.12 42.64 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 3.29 0.00 0.00 -0.67 9.09 -1.80 -1.42 114.58 123.08 3iqz h GLU 26 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 3iqz h GLU 26 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 3iqz h GLU 26 CO 0.28 0.08 0.00 0.54 0.05 0.00 0.00 179.01 179.96 3iqz n ARG 27 N -3.39 2.40 -1.52 1.06 1.74 -1.26 -5.00 116.66 110.70 3iqz n ARG 27 Ca -0.01 -1.34 -0.16 0.00 -0.77 0.00 0.00 57.85 55.56 3iqz n ARG 27 Cb 0.24 -0.99 -0.07 0.00 -1.02 0.00 0.00 32.46 30.62 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 -0.42 -0.26 -0.13 7.54 0.00 -0.54 -4.87 120.51 121.83 3iqz n ALA 28 Ca 0.00 0.26 0.09 0.00 0.00 0.00 0.00 53.44 53.78 3iqz n ALA 28 Cb 0.22 -1.73 0.21 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.67 3.29 -4.70 0.00 5.68 -1.26 -4.96 116.55 113.93 3iqz n ASP 29 Ca -0.17 -1.96 -0.42 0.00 -0.50 0.00 0.00 54.79 51.74 3iqz n ASP 29 Cb 0.54 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 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 -1.06 4.41 0.00 0.11 0.52 -1.26 -4.41 118.95 117.25 3iqz s ARG 30 Ca 0.34 1.72 0.25 0.00 -0.52 0.00 0.00 55.73 57.51 3iqz s ARG 30 Cb 0.18 -3.43 0.36 0.00 0.52 0.00 0.00 34.95 32.57 3iqz s ARG 30 CO 0.24 -0.32 1.35 0.39 0.02 0.00 0.00 175.30 176.98 3iqz n GLU 31 N 4.40 2.07 -0.23 3.54 1.02 0.79 -4.35 120.64 127.89 3iqz n GLU 31 Ca 0.10 -1.63 0.09 0.00 -0.02 0.00 0.00 57.16 55.69 3iqz n GLU 31 Cb 0.47 -1.47 0.21 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.96 3.29 -4.17 1.62 3.85 -1.26 -4.80 116.55 116.04 3iqz n ASP 32 Ca 0.15 -1.95 -0.14 0.00 -0.71 0.00 0.00 54.79 52.13 3iqz n ASP 32 Cb 0.53 -0.30 -0.11 0.00 -1.35 0.00 0.00 41.12 39.89 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 -1.08 0.89 -0.13 2.12 -7.23 -1.26 -0.90 120.40 112.81 3iqz s VAL 33 Ca 0.34 -1.61 -0.07 0.00 -1.81 0.00 0.00 61.98 58.83 3iqz s VAL 33 Cb 0.18 -1.31 0.05 0.00 0.56 0.00 0.00 36.38 35.86 3iqz s VAL 33 CO 0.24 -0.56 0.31 -0.70 -0.31 0.00 0.00 175.10 174.08 3iqz s GLU 34 N -2.74 0.27 0.14 4.82 2.12 -0.28 -4.89 118.70 118.14 3iqz s GLU 34 Ca 0.04 0.65 0.10 0.00 0.36 0.00 0.00 54.97 56.13 3iqz s GLU 34 Cb -0.03 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.25 3iqz s GLU 34 CO -0.00 -0.17 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.26 3iqz s PHE 35 N 1.44 2.05 0.07 5.30 2.99 -1.26 -2.58 117.98 125.99 3iqz s PHE 35 Ca -0.08 -0.40 0.07 0.00 0.00 0.00 0.00 56.93 56.51 3iqz s PHE 35 Cb -0.10 -1.07 -0.03 0.00 0.00 0.00 0.00 43.02 41.82 3iqz s PHE 35 CO -0.10 0.34 -0.20 1.03 -0.00 0.00 0.00 175.22 176.29 3iqz s ARG 36 N -2.31 1.16 -0.06 0.44 1.81 -0.85 -4.99 118.95 114.14 3iqz s ARG 36 Ca 0.14 -1.03 -0.01 0.00 -1.72 0.00 0.00 55.73 53.11 3iqz s ARG 36 Cb -0.09 -1.33 0.03 0.00 -0.45 0.00 0.00 34.95 33.11 3iqz s ARG 36 CO 0.07 0.32 -0.02 0.08 -0.68 0.00 0.00 175.30 175.07 3iqz s VAL 37 N -1.02 0.45 0.13 3.52 1.01 -1.26 -0.44 120.40 122.79 3iqz s VAL 37 Ca 0.05 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.10 3iqz s VAL 37 Cb -0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3iqz s VAL 37 CO 0.03 0.25 -0.09 0.68 0.00 0.00 0.00 175.10 175.97 3iqz s VAL 38 N 1.63 1.01 -0.06 2.92 -7.23 0.08 -4.96 120.40 113.79 3iqz s VAL 38 Ca 0.00 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 3iqz s VAL 38 Cb -0.13 -1.75 0.11 0.00 0.56 0.00 0.00 36.38 35.17 3iqz s VAL 38 CO -0.04 -0.77 1.34 -0.83 -0.31 0.00 0.00 175.10 174.50 3iqz s GLY 39 N -3.06 -0.26 -0.23 2.32 0.00 -1.26 -1.21 107.32 103.61 3iqz s GLY 39 Ca 0.14 0.32 0.12 0.00 0.00 0.00 0.00 44.72 45.31 3iqz s GLY 39 CO -0.01 4.42 1.19 -1.30 0.00 0.00 0.00 173.10 177.40 3iqz n THR 40 N -0.81 2.01 -4.43 0.90 -2.24 -1.15 -4.93 114.28 103.63 3iqz n THR 40 Ca 0.01 -3.40 0.00 0.00 -2.27 0.00 0.00 64.05 58.39 3iqz n THR 40 Cb 0.60 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.72 0.00 0.09 3.42 2.88 -1.26 -2.59 113.62 115.45 3iqz n SER 41 Ca 0.27 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.91 3iqz n SER 41 Cb 0.87 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.77 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 0.88 -2.79 2.46 0.24 -1.26 -1.26 118.33 116.59 3iqz n VAL 42 Ca 0.00 0.24 -0.41 0.00 -2.04 0.00 0.00 64.34 62.12 3iqz n VAL 42 Cb 0.00 -1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 31.22 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 -3.22 4.53 -0.01 7.34 1.02 -1.07 -3.08 119.74 125.24 3iqz s LYS 43 Ca 0.05 1.28 0.02 0.00 0.02 0.00 0.00 55.97 57.34 3iqz s LYS 43 Cb 0.09 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.98 3iqz s LYS 43 CO 0.35 -0.03 1.02 0.00 -0.92 0.00 0.00 175.35 175.77 3iqz n MET 44 N 3.90 0.13 -1.07 1.68 0.00 -1.26 -3.95 117.12 116.55 3iqz n MET 44 Ca 0.04 -1.17 -0.30 0.00 0.00 0.00 0.00 57.70 56.27 3iqz n MET 44 Cb 0.51 -0.60 0.14 0.00 0.00 0.00 0.00 33.22 33.27 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 -1.20 3.50 0.23 3.17 -4.77 -1.26 -3.87 116.67 112.47 3iqz s ASP 45 Ca 0.04 1.74 -0.11 0.00 -3.30 0.00 0.00 52.55 50.91 3iqz s ASP 45 Cb 0.03 -2.38 0.31 0.00 -1.09 0.00 0.00 42.92 39.80 3iqz s ASP 45 CO 0.00 -2.66 1.61 -0.65 0.70 0.00 0.00 175.17 174.18 3iqz h PRO 46 N -1.56 0.01 -0.42 2.11 0.11 -1.87 -0.80 132.00 129.58 3iqz h PRO 46 Ca -0.47 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3iqz h PRO 46 Cb 1.27 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3iqz h PRO 46 CO 0.51 0.01 0.03 0.93 -0.21 0.00 0.00 178.00 179.26 3iqz h GLU 47 N 0.01 0.72 -0.12 1.05 3.07 -1.97 -0.50 114.58 116.84 3iqz h GLU 47 Ca 0.35 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 3iqz h GLU 47 Cb 0.56 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3iqz h GLU 47 CO -0.73 0.78 0.05 0.00 -1.40 0.00 0.00 179.01 177.71 3iqz h VAL 49 N 0.05 0.96 -0.71 0.00 2.07 -1.01 0.70 116.25 118.30 3iqz h VAL 49 Ca 0.04 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.56 3iqz h VAL 49 Cb 0.14 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 3iqz h VAL 49 CO -0.00 0.05 0.37 -0.08 0.02 0.00 0.00 177.57 177.92 3iqz h GLU 50 N 0.26 0.62 -0.66 1.57 4.81 -0.99 -0.94 114.58 119.25 3iqz h GLU 50 Ca 0.12 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3iqz h GLU 50 Cb 0.06 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3iqz h GLU 50 CO -0.10 0.41 0.15 0.00 -0.73 0.00 0.00 179.01 178.74 3iqz h ALA 51 N 1.41 0.87 -0.60 2.92 0.00 -0.54 -1.11 119.26 122.22 3iqz h ALA 51 Ca 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3iqz h ALA 51 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3iqz h ALA 51 CO -0.25 0.60 0.33 0.00 0.00 0.00 0.00 179.25 179.93 3iqz h ALA 52 N 1.06 0.77 -0.08 0.00 0.00 -0.16 -2.05 119.26 118.80 3iqz h ALA 52 Ca 0.21 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3iqz h ALA 52 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3iqz h ALA 52 CO 0.00 0.28 -0.51 0.28 0.00 0.00 0.00 179.25 179.31 3iqz h VAL 53 N 0.81 1.35 -0.70 0.00 2.07 -0.90 -2.28 116.25 116.60 3iqz h VAL 53 Ca 0.21 -1.76 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 3iqz h VAL 53 Cb 0.04 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3iqz h VAL 53 CO -0.03 0.52 0.22 -0.33 0.02 0.00 0.00 177.57 177.96 3iqz h GLU 54 N 0.16 1.09 0.01 1.57 5.08 -1.02 0.13 114.58 121.60 3iqz h GLU 54 Ca 0.00 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3iqz h GLU 54 Cb 0.96 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3iqz h GLU 54 CO 0.08 0.94 -0.06 0.52 -1.00 0.00 0.00 179.01 179.49 3iqz h MET 55 N 1.03 -0.10 -0.06 2.33 2.86 -1.09 0.37 114.93 120.27 3iqz h MET 55 Ca 0.23 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.91 3iqz h MET 55 Cb 0.31 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.93 3iqz h MET 55 CO -0.01 -0.07 -0.34 0.00 1.06 0.00 0.00 176.91 177.56 3iqz h ALA 56 N 0.88 -0.46 -0.45 6.32 0.00 -1.16 -0.17 119.26 124.22 3iqz h ALA 56 Ca 0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3iqz h ALA 56 Cb 0.13 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3iqz h ALA 56 CO -0.05 -0.84 0.06 -0.07 0.00 0.00 0.00 179.25 178.35 3iqz h LEU 57 N -0.45 0.66 -0.20 0.00 3.38 -0.39 0.22 115.31 118.53 3iqz h LEU 57 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3iqz h LEU 57 Cb 0.57 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3iqz h LEU 57 CO -0.32 0.69 0.10 0.44 0.09 0.00 0.00 178.44 179.45 3iqz h ASP 58 N 0.67 0.25 -0.48 -0.43 3.32 0.18 -2.84 116.42 117.08 3iqz h ASP 58 Ca 0.15 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3iqz h ASP 58 Cb 0.33 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3iqz h ASP 58 CO 0.01 0.27 0.03 0.40 -1.72 0.00 0.00 179.24 178.23 3iqz h ILE 59 N 0.21 1.25 -0.61 0.35 2.04 -0.73 -2.78 117.51 117.24 3iqz h ILE 59 Ca 0.07 -1.01 0.07 0.00 1.00 0.00 0.00 64.86 64.99 3iqz h ILE 59 Cb 0.08 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3iqz h ILE 59 CO -0.01 0.36 0.40 0.00 0.00 0.00 0.00 178.15 178.91 3iqz h ALA 60 N 1.20 1.85 -0.42 1.87 0.00 -0.34 -0.30 119.26 123.13 3iqz h ALA 60 Ca 0.16 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3iqz h ALA 60 Cb 0.45 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 3iqz h ALA 60 CO 0.02 0.04 -0.30 0.93 0.00 0.00 0.00 179.25 179.94 3iqz h GLU 61 N 0.55 -0.22 0.11 0.00 5.08 -1.28 0.54 114.58 119.36 3iqz h GLU 61 Ca 0.27 0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.35 3iqz h GLU 61 Cb 0.33 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3iqz h GLU 61 CO -0.08 -0.14 -1.45 -0.44 -1.00 0.00 0.00 179.01 175.89 3iqz h ASP 62 N -0.22 0.35 0.31 1.42 3.32 -1.67 -3.37 116.42 116.56 3iqz h ASP 62 Ca 0.18 -0.47 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 3iqz h ASP 62 Cb 0.52 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3iqz h ASP 62 CO -0.54 1.38 -0.65 0.15 -1.72 0.00 0.00 179.24 177.87 3iqz h PHE 63 N 0.06 0.41 -5.90 4.55 3.57 -0.65 -3.48 116.94 115.50 3iqz h PHE 63 Ca -0.21 -0.16 -0.36 0.00 3.53 0.00 0.00 57.97 60.76 3iqz h PHE 63 Cb 1.99 -0.07 0.12 0.00 2.79 0.00 0.00 35.95 40.78 3iqz h PHE 63 CO 0.06 0.87 -0.87 0.39 -2.23 0.00 0.00 178.31 176.52 3iqz n GLU 64 N -3.86 -2.96 -2.14 1.11 1.02 0.19 -4.95 120.64 109.05 3iqz n GLU 64 Ca -0.03 0.66 -0.38 0.00 -0.02 0.00 0.00 57.16 57.39 3iqz n GLU 64 Cb 0.65 -5.09 -0.00 0.00 -0.02 0.00 0.00 31.44 26.97 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 -5.42 3.77 0.29 3.49 0.04 -1.26 -4.87 135.00 131.04 3iqz s PRO 65 Ca 0.30 1.95 0.10 0.00 0.04 0.00 0.00 61.00 63.40 3iqz s PRO 65 Cb -0.07 -2.52 0.43 0.00 0.04 0.00 0.00 34.50 32.38 3iqz s PRO 65 CO 0.80 -0.59 1.66 -0.44 0.04 0.00 0.00 177.00 178.47 3iqz h ASP 66 N 2.22 0.06 -5.05 6.66 5.19 -1.11 -3.47 116.42 120.92 3iqz h ASP 66 Ca -0.50 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 55.87 3iqz h ASP 66 Cb 1.25 -0.02 -0.10 0.00 0.18 0.00 0.00 39.33 40.64 3iqz h ASP 66 CO 0.61 0.59 0.10 0.72 -3.12 0.00 0.00 179.24 178.13 3iqz s PHE 67 N -3.81 -0.27 -0.01 4.55 -0.12 -1.21 -4.33 117.98 112.78 3iqz s PHE 67 Ca -0.02 -0.05 0.06 0.00 -0.05 0.00 0.00 56.93 56.87 3iqz s PHE 67 Cb 0.13 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.97 3iqz s PHE 67 CO 0.76 -0.91 -0.18 0.42 -0.05 0.00 0.00 175.22 175.26 3iqz s ILE 68 N -3.83 1.42 -0.09 -4.49 1.01 -0.26 -2.73 121.20 112.22 3iqz s ILE 68 Ca 0.06 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.95 3iqz s ILE 68 Cb -0.01 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 3iqz s ILE 68 CO -0.06 0.37 -0.23 -0.69 0.00 0.00 0.00 174.94 174.34 3iqz s VAL 69 N -0.46 2.18 -0.14 2.92 1.01 0.00 -1.17 120.40 124.75 3iqz s VAL 69 Ca 0.07 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3iqz s VAL 69 Cb -0.07 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3iqz s VAL 69 CO -0.00 0.56 -0.10 -0.47 0.00 0.00 0.00 175.10 175.08 3iqz s TYR 70 N 0.20 2.87 -0.00 5.22 6.14 0.23 -0.68 117.35 131.33 3iqz s TYR 70 Ca -0.14 -0.55 0.03 0.00 0.64 0.00 0.00 57.07 57.05 3iqz s TYR 70 Cb -0.17 -1.88 -0.01 0.00 0.42 0.00 0.00 41.96 40.33 3iqz s TYR 70 CO 0.07 -0.17 -0.10 0.20 0.64 0.00 0.00 175.55 176.19 3iqz s GLY 71 N 0.36 0.51 0.00 8.97 0.00 0.18 -0.46 107.32 116.88 3iqz s GLY 71 Ca -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3iqz s GLY 71 CO 0.05 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.36 3iqz n GLY 72 N 2.75 -2.76 3.74 0.20 0.00 -0.91 -2.72 105.19 105.50 3iqz n GLY 72 Ca -0.14 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.00 2.37 -0.28 1.61 0.02 -1.26 -4.28 135.00 131.19 3iqz s PRO 73 Ca 0.00 1.66 -0.25 0.00 0.02 0.00 0.00 61.00 62.44 3iqz s PRO 73 Cb 0.00 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.68 3iqz s PRO 73 CO 0.00 -1.63 0.41 -1.71 -0.33 0.00 0.00 177.00 173.74 3iqz n ASN 74 N -2.56 -4.39 0.20 2.53 2.85 -1.26 -4.84 115.26 107.78 3iqz n ASN 74 Ca 0.13 -0.04 0.15 0.00 -0.11 0.00 0.00 54.58 54.70 3iqz n ASN 74 Cb 0.51 -1.23 0.55 0.00 1.24 0.00 0.00 39.78 40.85 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 1.91 0.00 0.00 1.20 0.11 -1.86 -0.26 132.00 133.09 3iqz h PRO 75 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3iqz h PRO 75 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3iqz h PRO 75 CO 0.14 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.60 3iqz n ALA 76 N -1.95 2.90 -1.46 -0.75 0.00 -1.26 -3.57 120.51 114.43 3iqz n ALA 76 Ca 0.04 -0.22 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 3iqz n ALA 76 Cb 0.75 -1.27 0.12 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.05 1.90 0.09 0.00 0.00 -0.11 -4.74 121.76 115.84 3iqz s ALA 77 Ca 0.11 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 3iqz s ALA 77 Cb 0.16 -3.10 -0.14 0.00 0.00 0.00 0.00 23.12 20.04 3iqz s ALA 77 CO 0.65 -2.07 1.66 -1.35 0.00 0.00 0.00 175.76 174.64 3iqz h PRO 78 N -1.34 -0.52 -0.02 0.00 0.11 -1.91 0.15 132.00 128.47 3iqz h PRO 78 Ca -0.49 0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.68 3iqz h PRO 78 Cb 1.29 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.46 3iqz h PRO 78 CO 0.59 -0.35 -0.48 0.78 -0.21 0.00 0.00 178.00 178.33 3iqz h GLY 79 N -0.54 -0.94 2.00 -0.55 0.00 -1.83 -0.96 103.07 100.25 3iqz h GLY 79 Ca -0.03 0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.88 3iqz h GLY 79 CO 0.01 -0.24 -0.04 -2.55 0.00 0.00 0.00 176.54 173.72 3iqz h PRO 80 N -0.62 0.00 -0.32 4.80 0.11 -1.73 -2.00 132.00 132.23 3iqz h PRO 80 Ca 0.03 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 3iqz h PRO 80 Cb 0.69 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3iqz h PRO 80 CO -0.35 0.04 -0.21 0.77 -0.21 0.00 0.00 178.00 178.04 3iqz h SER 81 N 0.00 0.61 -0.43 -2.05 0.02 0.15 -0.84 113.55 111.02 3iqz h SER 81 Ca -0.00 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 3iqz h SER 81 Cb 0.07 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3iqz h SER 81 CO 0.01 0.83 0.11 0.50 -1.14 0.00 0.00 176.83 177.13 3iqz h LYS 82 N 0.54 0.68 -0.56 3.45 1.63 -0.51 -2.06 116.57 119.74 3iqz h LYS 82 Ca 0.08 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.67 3iqz h LYS 82 Cb 0.67 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 3iqz h LYS 82 CO 0.05 0.68 0.12 0.00 -3.45 0.00 0.00 179.45 176.85 3iqz h ALA 83 N 0.97 0.74 -0.43 5.00 0.00 -1.01 -1.11 119.26 123.41 3iqz h ALA 83 Ca 0.13 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3iqz h ALA 83 Cb 0.30 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3iqz h ALA 83 CO -0.00 0.45 0.14 0.00 0.00 0.00 0.00 179.25 179.84 3iqz h ARG 84 N 0.80 0.29 0.05 0.00 3.08 -1.08 0.51 114.38 118.03 3iqz h ARG 84 Ca 0.17 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.22 3iqz h ARG 84 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3iqz h ARG 84 CO 0.00 0.19 -0.12 1.49 -1.07 0.00 0.00 179.97 180.47 3iqz h GLU 85 N 0.30 -0.22 -0.68 0.04 4.81 -1.08 0.28 114.58 118.03 3iqz h GLU 85 Ca 0.20 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3iqz h GLU 85 Cb 0.21 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3iqz h GLU 85 CO -0.22 -0.14 0.34 0.52 -0.73 0.00 0.00 179.01 178.77 3iqz h MET 86 N -0.22 0.97 -0.34 1.92 2.86 -1.03 -1.53 114.93 117.55 3iqz h MET 86 Ca 0.03 -0.14 -0.17 0.00 -2.06 0.00 0.00 59.70 57.36 3iqz h MET 86 Cb 0.25 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 3iqz h MET 86 CO -0.08 0.76 -0.44 -0.07 1.06 0.00 0.00 176.91 178.14 3iqz h LEU 87 N 0.94 0.95 -1.00 1.22 3.38 -0.67 -1.77 115.31 118.35 3iqz h LEU 87 Ca 0.23 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3iqz h LEU 87 Cb 0.10 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3iqz h LEU 87 CO -0.03 1.25 0.66 0.00 0.09 0.00 0.00 178.44 180.41 3iqz h ALA 88 N 0.79 1.29 0.00 1.53 0.00 -0.31 -2.77 119.26 119.80 3iqz h ALA 88 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iqz h ALA 88 Cb 1.03 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3iqz h ALA 88 CO 0.10 0.62 0.00 -0.44 0.00 0.00 0.00 179.25 179.54 3iqz h ASP 89 N 1.33 0.00 -4.27 0.00 3.32 -1.02 -3.46 116.42 112.32 3iqz h ASP 89 Ca 0.38 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.97 3iqz h ASP 89 Cb -0.10 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.58 3iqz h ASP 89 CO -0.10 0.00 0.33 -0.94 -1.72 0.00 0.00 179.24 176.82 3iqz s SER 90 N -5.18 3.56 0.05 6.45 1.04 -0.69 -4.96 113.70 113.97 3iqz s SER 90 Ca 0.09 0.81 0.28 0.00 0.48 0.00 0.00 55.95 57.60 3iqz s SER 90 Cb 0.09 -1.27 1.12 0.00 0.10 0.00 0.00 66.02 66.06 3iqz s SER 90 CO 0.61 -2.50 1.87 -1.84 0.98 0.00 0.00 173.24 172.37 3iqz n GLU 91 N -3.71 0.06 -3.64 4.02 0.28 -1.26 -4.88 120.64 111.51 3iqz n GLU 91 Ca 0.08 0.06 -0.36 0.00 -0.16 0.00 0.00 57.16 56.78 3iqz n GLU 91 Cb 0.60 -1.57 -0.07 0.00 1.43 0.00 0.00 31.44 31.83 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 -3.02 3.49 0.41 -1.84 2.02 -1.26 -5.05 117.35 112.10 3iqz s TYR 92 Ca 0.13 0.55 -0.26 0.00 -0.37 0.00 0.00 57.07 57.12 3iqz s TYR 92 Cb 0.17 -2.23 -0.10 0.00 -0.40 0.00 0.00 41.96 39.40 3iqz s TYR 92 CO 0.53 0.36 1.29 -2.30 -1.57 0.00 0.00 175.55 173.86 3iqz n PRO 93 N 3.17 2.00 -4.07 -1.71 -0.02 -1.26 -4.78 135.00 128.32 3iqz n PRO 93 Ca -0.14 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 61.95 3iqz n PRO 93 Cb 0.52 -2.39 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.18 0.53 -0.05 3.55 0.00 -1.26 -1.10 121.76 122.25 3iqz s ALA 94 Ca 0.60 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.61 3iqz s ALA 94 Cb -0.51 0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3iqz s ALA 94 CO 0.59 -0.20 -0.13 0.08 0.00 0.00 0.00 175.76 176.10 3iqz s VAL 95 N -2.61 1.11 -0.26 0.00 1.01 -0.32 -1.41 120.40 117.92 3iqz s VAL 95 Ca -0.02 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 3iqz s VAL 95 Cb -0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3iqz s VAL 95 CO -0.04 0.34 0.14 -0.63 0.00 0.00 0.00 175.10 174.91 3iqz s ILE 96 N 0.38 5.02 -0.22 2.22 -1.09 0.78 -0.60 121.20 127.70 3iqz s ILE 96 Ca -0.09 0.07 -0.13 0.00 -2.23 0.00 0.00 60.65 58.28 3iqz s ILE 96 Cb -0.13 -3.37 -0.05 0.00 -1.58 0.00 0.00 42.46 37.34 3iqz s ILE 96 CO 0.02 0.30 0.25 -0.63 -1.23 0.00 0.00 174.94 173.66 3iqz s ILE 97 N 1.50 5.31 0.00 2.92 -1.09 0.39 -0.38 121.20 129.84 3iqz s ILE 97 Ca 0.07 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 3iqz s ILE 97 Cb -0.15 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3iqz s ILE 97 CO 0.07 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 3iqz n GLY 98 N 4.02 2.96 0.80 6.18 0.00 -0.46 -2.14 105.19 116.55 3iqz n GLY 98 Ca -0.13 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.37 2.10 -0.29 1.61 3.85 -1.26 -0.68 116.55 120.51 3iqz n ASP 99 Ca 0.00 -1.47 0.06 0.00 -0.71 0.00 0.00 54.79 52.67 3iqz n ASP 99 Cb 0.00 0.06 0.20 0.00 -1.35 0.00 0.00 41.12 40.03 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 0.98 1.22 0.00 2.12 0.00 -1.79 -0.37 119.26 121.42 3iqz h ALA 100 Ca -0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iqz h ALA 100 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3iqz h ALA 100 CO 0.14 -0.06 0.05 -1.35 0.00 0.00 0.00 179.25 178.03 3iqz h PRO 101 N 0.64 0.00 0.00 0.00 0.11 -1.96 1.00 132.00 131.79 3iqz h PRO 101 Ca 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.54 3iqz h PRO 101 Cb 0.57 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 3iqz h PRO 101 CO -0.33 0.00 -0.03 0.78 -0.21 0.00 0.00 178.00 178.20 3iqz h GLY 102 N 0.00 0.00 1.10 -0.55 0.00 -1.42 -2.94 103.07 99.27 3iqz h GLY 102 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 3iqz h GLY 102 CO 0.00 0.00 0.33 1.41 0.00 0.00 0.00 176.54 178.28 3iqz h LEU 103 N 0.00 0.00 -1.97 3.11 3.38 -0.96 -1.66 115.31 117.21 3iqz h LEU 103 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3iqz h LEU 103 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3iqz h LEU 103 CO 0.00 0.00 -0.10 0.11 0.09 0.00 0.00 178.44 178.54 3iqz h LYS 104 N 0.00 0.00 -0.10 1.13 1.57 -1.73 -2.78 116.57 114.66 3iqz h LYS 104 Ca 0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3iqz h LYS 104 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3iqz h LYS 104 CO -0.00 0.10 -0.09 1.33 -0.57 0.00 0.00 179.45 180.22 3iqz n VAL 105 N -3.99 2.11 -0.07 0.50 0.24 -0.64 -4.74 118.33 111.75 3iqz n VAL 105 Ca -0.02 -2.38 -0.08 0.00 -2.04 0.00 0.00 64.34 59.82 3iqz n VAL 105 Cb 0.19 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.30 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 0.71 0.14 -0.43 7.34 3.64 -1.35 -0.30 116.57 126.32 3iqz h LYS 106 Ca 0.03 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3iqz h LYS 106 Cb 1.19 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3iqz h LYS 106 CO 0.10 0.10 -0.18 -0.44 -2.27 0.00 0.00 179.45 176.76 3iqz h ASP 107 N 0.15 0.90 -0.56 4.20 3.32 -1.85 -2.48 116.42 120.11 3iqz h ASP 107 Ca 0.12 -0.39 0.11 0.00 0.02 0.00 0.00 57.03 56.89 3iqz h ASP 107 Cb 0.13 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 39.34 3iqz h ASP 107 CO -0.16 1.09 0.05 -0.08 -1.72 0.00 0.00 179.24 178.41 3iqz h GLU 108 N 0.71 0.16 -0.82 3.56 4.81 -1.84 -1.86 114.58 119.30 3iqz h GLU 108 Ca 0.10 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3iqz h GLU 108 Cb 0.74 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 3iqz h GLU 108 CO 0.06 0.11 0.37 0.52 -0.73 0.00 0.00 179.01 179.34 3iqz h MET 109 N 0.17 1.20 -0.52 1.92 2.86 -0.70 0.15 114.93 120.00 3iqz h MET 109 Ca 0.29 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 3iqz h MET 109 Cb 0.44 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3iqz h MET 109 CO -0.43 0.94 0.02 0.93 1.06 0.00 0.00 176.91 179.42 3iqz h GLU 110 N 1.18 0.86 -0.21 1.72 5.08 -1.11 -1.14 114.58 120.96 3iqz h GLU 110 Ca 0.28 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3iqz h GLU 110 Cb 0.15 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3iqz h GLU 110 CO -0.03 0.85 -0.34 1.49 -1.00 0.00 0.00 179.01 179.98 3iqz h GLU 111 N 0.81 0.44 0.00 2.33 4.81 -0.70 -2.05 114.58 120.21 3iqz h GLU 111 Ca 0.16 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3iqz h GLU 111 Cb 0.46 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3iqz h GLU 111 CO 0.02 0.72 0.00 1.04 -0.73 0.00 0.00 179.01 180.06 3iqz n GLN 112 N -4.07 0.08 -1.23 1.92 6.02 0.46 -4.90 117.38 115.66 3iqz n GLN 112 Ca -0.01 0.14 -0.02 0.00 -0.01 0.00 0.00 57.00 57.10 3iqz n GLN 112 Cb 0.46 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.21 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 0.54 0.47 3.82 1.08 0.00 -0.77 -4.74 105.19 105.58 3iqz n GLY 113 Ca 0.06 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.42 4.00 0.51 0.99 1.43 -0.49 -4.76 118.68 119.94 3iqz s LEU 114 Ca 0.00 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 3iqz s LEU 114 Cb 0.00 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 3iqz s LEU 114 CO 0.00 0.22 0.80 -0.83 0.23 0.00 0.00 176.35 176.77 3iqz s GLY 115 N -2.13 1.54 0.10 -3.19 0.00 -0.50 -4.34 107.32 98.81 3iqz s GLY 115 Ca 0.28 -0.69 -0.13 0.00 0.00 0.00 0.00 44.72 44.18 3iqz s GLY 115 CO 0.20 -0.48 0.31 -2.52 0.00 0.00 0.00 173.10 170.61 3iqz s TYR 116 N -2.79 -0.07 -0.11 1.90 1.13 0.43 -0.16 117.35 117.68 3iqz s TYR 116 Ca 0.50 -0.27 -0.04 0.00 -1.41 0.00 0.00 57.07 55.85 3iqz s TYR 116 Cb -0.10 0.13 0.05 0.00 -1.10 0.00 0.00 41.96 40.93 3iqz s TYR 116 CO 0.43 -0.62 0.07 0.42 -2.51 0.00 0.00 175.55 173.34 3iqz s ILE 117 N -3.70 -0.07 -0.22 -3.49 1.01 0.49 -1.49 121.20 113.73 3iqz s ILE 117 Ca 0.03 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 3iqz s ILE 117 Cb 0.03 -0.40 -0.00 0.00 0.01 0.00 0.00 42.46 42.09 3iqz s ILE 117 CO -0.11 -0.07 -0.06 -0.76 0.00 0.00 0.00 174.94 173.95 3iqz s LEU 118 N 2.14 2.87 -0.52 2.97 1.43 0.01 -1.35 118.68 126.22 3iqz s LEU 118 Ca 0.03 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 3iqz s LEU 118 Cb -0.14 -1.71 0.13 0.00 0.03 0.00 0.00 46.19 44.50 3iqz s LEU 118 CO -0.06 -0.03 0.38 -0.69 0.23 0.00 0.00 176.35 176.18 3iqz s VAL 119 N 1.45 4.14 0.20 -1.59 1.01 0.14 -0.21 120.40 125.55 3iqz s VAL 119 Ca 0.05 -2.08 -0.10 0.00 0.00 0.00 0.00 61.98 59.85 3iqz s VAL 119 Cb -0.14 -3.72 0.15 0.00 0.00 0.00 0.00 36.38 32.66 3iqz s VAL 119 CO -0.04 -0.81 1.86 0.11 0.00 0.00 0.00 175.10 176.22 3iqz h LYS 120 N 8.11 0.98 0.00 2.72 1.57 -1.47 -1.78 116.57 126.70 3iqz h LYS 120 Ca -0.14 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3iqz h LYS 120 Cb 1.05 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3iqz h LYS 120 CO 0.81 0.67 0.00 -2.30 -0.57 0.00 0.00 179.45 178.06 3iqz n PRO 121 N -4.54 0.29 -1.80 3.15 -0.02 -1.26 -4.31 135.00 126.50 3iqz n PRO 121 Ca 0.07 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 3iqz n PRO 121 Cb 0.04 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 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 -1.24 3.81 -4.79 2.55 -0.08 -0.67 -4.35 116.55 111.78 3iqz n ASP 122 Ca 0.09 -2.82 -0.37 0.00 -1.51 0.00 0.00 54.79 50.17 3iqz n ASP 122 Cb 0.12 -1.59 -0.06 0.00 2.34 0.00 0.00 41.12 41.93 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 4.01 3.32 0.34 -1.67 0.00 -1.26 -4.76 121.76 121.74 3iqz s ALA 123 Ca 0.51 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 3iqz s ALA 123 Cb 0.12 -3.03 -0.11 0.00 0.00 0.00 0.00 23.12 20.11 3iqz s ALA 123 CO -0.02 0.25 1.38 1.41 0.00 0.00 0.00 175.76 178.78 3iqz s MET 124 N -1.84 4.26 0.79 0.00 1.75 -1.26 -4.90 119.30 118.10 3iqz s MET 124 Ca 0.45 2.35 -0.07 0.00 -1.25 0.00 0.00 55.69 57.17 3iqz s MET 124 Cb -0.19 -3.04 0.13 0.00 2.84 0.00 0.00 34.83 34.58 3iqz s MET 124 CO 0.24 -0.33 1.10 -0.48 -0.65 0.00 0.00 175.02 174.90 3iqz s LEU 125 N -1.82 2.87 -1.36 4.11 0.05 -1.26 -4.49 118.68 116.78 3iqz s LEU 125 Ca 0.51 0.02 -0.15 0.00 0.05 0.00 0.00 54.13 54.56 3iqz s LEU 125 Cb -0.42 -2.34 0.08 0.00 -2.05 0.00 0.00 46.19 41.46 3iqz s LEU 125 CO 0.56 -2.07 1.94 0.61 -0.55 0.00 0.00 176.35 176.84 3iqz n GLY 126 N -3.14 3.76 2.45 -3.48 0.00 -1.26 -4.86 105.19 98.66 3iqz n GLY 126 Ca 0.13 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 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 6.50 6.93 -2.78 4.61 0.00 -1.26 -4.30 120.51 130.21 3iqz n ALA 127 Ca 0.48 -3.65 -0.34 0.00 0.00 0.00 0.00 53.44 49.93 3iqz n ALA 127 Cb 0.41 -3.42 -0.12 0.00 0.00 0.00 0.00 19.45 16.32 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 2.46 3.20 0.41 0.00 1.81 -1.26 -4.97 118.95 120.59 3iqz s ARG 128 Ca 0.63 -0.54 0.12 0.00 -1.72 0.00 0.00 55.73 54.22 3iqz s ARG 128 Cb 0.17 -2.74 0.95 0.00 -0.45 0.00 0.00 34.95 32.87 3iqz s ARG 128 CO -0.07 0.46 1.95 -0.09 -0.68 0.00 0.00 175.30 176.86 3iqz h ARG 129 N 5.96 0.50 0.00 3.54 2.43 -1.90 0.29 114.38 125.20 3iqz h ARG 129 Ca -0.40 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3iqz h ARG 129 Cb 1.19 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3iqz h ARG 129 CO 0.57 0.33 0.00 0.39 -1.51 0.00 0.00 179.97 179.75 3iqz n GLU 130 N -4.48 0.09 0.00 0.20 4.71 -1.26 -3.81 120.64 116.08 3iqz n GLU 130 Ca 0.12 0.43 0.00 0.00 -0.01 0.00 0.00 57.16 57.69 3iqz n GLU 130 Cb 0.39 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 3iqz n GLU 130 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3iqz n PHE 131 N -1.87 0.00 -3.15 -0.32 7.35 -0.04 -4.99 117.46 114.45 3iqz n PHE 131 Ca 0.01 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.25 3iqz n PHE 131 Cb 0.13 0.03 -0.04 0.00 0.35 0.00 0.00 39.48 39.95 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 -4.65 5.71 0.00 -2.13 2.96 0.81 -4.87 118.68 116.51 3iqz s LEU 132 Ca 0.00 -1.81 0.04 0.00 -0.22 0.00 0.00 54.13 52.14 3iqz s LEU 132 Cb 0.00 -2.29 0.07 0.00 0.50 0.00 0.00 46.19 44.47 3iqz s LEU 132 CO 0.00 -0.97 0.55 -0.90 -1.32 0.00 0.00 176.35 173.70 3iqz n ASP 133 N 5.77 1.22 -0.16 3.68 5.75 -1.26 -4.67 116.55 126.88 3iqz n ASP 133 Ca -0.01 -1.92 -0.05 0.00 -0.01 0.00 0.00 54.79 52.81 3iqz n ASP 133 Cb 0.44 -0.31 0.13 0.00 -1.03 0.00 0.00 41.12 40.35 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 0.91 0.01 0.11 0.11 -1.99 -1.56 132.00 129.59 3iqz h PRO 134 Ca -0.18 -0.23 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 3iqz h PRO 134 Cb 0.79 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3iqz h PRO 134 CO 0.24 0.86 -0.00 0.28 -0.21 0.00 0.00 178.00 179.17 3iqz h VAL 135 N 0.86 1.02 -0.95 3.15 2.07 -1.99 -0.78 116.25 119.64 3iqz h VAL 135 Ca 0.17 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.68 3iqz h VAL 135 Cb 0.40 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3iqz h VAL 135 CO 0.01 0.02 0.60 -0.08 0.02 0.00 0.00 177.57 178.14 3iqz h GLU 136 N -0.05 1.02 -0.38 1.57 4.57 -1.84 0.44 114.58 119.90 3iqz h GLU 136 Ca -0.00 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3iqz h GLU 136 Cb 0.05 -0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 28.36 3iqz h GLU 136 CO 0.00 0.67 0.10 1.98 -1.18 0.00 0.00 179.01 180.58 3iqz h MET 137 N 1.05 0.23 -0.48 1.92 4.05 -0.95 -1.36 114.93 119.38 3iqz h MET 137 Ca 0.43 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.75 3iqz h MET 137 Cb 0.25 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 3iqz h MET 137 CO -0.20 0.15 -0.02 0.00 0.23 0.00 0.00 176.91 177.07 3iqz h ALA 138 N 1.27 0.66 -0.91 0.39 0.00 -0.60 -2.22 119.26 117.85 3iqz h ALA 138 Ca 0.18 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3iqz h ALA 138 Cb 0.19 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3iqz h ALA 138 CO -0.21 0.48 0.59 0.82 0.00 0.00 0.00 179.25 180.93 3iqz h ILE 139 N 0.73 1.14 -0.39 0.00 2.04 -0.64 0.75 117.51 121.13 3iqz h ILE 139 Ca 0.13 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3iqz h ILE 139 Cb 0.54 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3iqz h ILE 139 CO 0.03 0.21 0.07 0.22 0.00 0.00 0.00 178.15 178.68 3iqz h TYR 140 N 1.13 0.69 -0.13 1.37 3.20 -1.14 -2.14 116.97 119.94 3iqz h TYR 140 Ca 0.37 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 3iqz h TYR 140 Cb 0.03 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3iqz h TYR 140 CO -0.01 0.68 -0.10 -0.91 -1.64 0.00 0.00 178.16 176.17 3iqz h ASN 141 N 0.50 0.19 -0.39 -2.11 2.35 -0.67 0.19 115.58 115.63 3iqz h ASN 141 Ca 0.12 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3iqz h ASN 141 Cb 0.36 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3iqz h ASN 141 CO 0.01 0.32 0.04 0.00 -1.65 0.00 0.00 177.43 176.14 3iqz h ALA 142 N 1.71 0.52 -0.59 -0.83 0.00 -0.46 -0.35 119.26 119.26 3iqz h ALA 142 Ca 0.04 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3iqz h ALA 142 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3iqz h ALA 142 CO 0.02 0.26 0.04 -0.44 0.00 0.00 0.00 179.25 179.12 3iqz h ASP 143 N 0.50 0.99 0.01 0.00 3.32 -1.12 -2.25 116.42 117.88 3iqz h ASP 143 Ca 0.12 -0.29 -0.14 0.00 0.02 0.00 0.00 57.03 56.73 3iqz h ASP 143 Cb 0.41 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3iqz h ASP 143 CO 0.01 1.04 -0.47 0.25 -1.72 0.00 0.00 179.24 178.35 3iqz h LEU 144 N 0.92 0.58 -0.31 1.55 5.85 -0.84 -1.68 115.31 121.37 3iqz h LEU 144 Ca 0.17 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3iqz h LEU 144 Cb 0.51 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3iqz h LEU 144 CO 0.02 0.96 0.01 -0.03 -0.34 0.00 0.00 178.44 179.06 3iqz h MET 145 N 0.43 0.55 -0.20 1.25 4.05 -0.85 0.60 114.93 120.76 3iqz h MET 145 Ca 0.03 -0.17 0.06 0.00 -0.28 0.00 0.00 59.70 59.33 3iqz h MET 145 Cb 0.98 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.66 3iqz h MET 145 CO 0.09 0.68 -0.27 -0.22 0.23 0.00 0.00 176.91 177.42 3iqz h LYS 146 N 0.35 -0.29 -0.20 0.39 1.63 -1.32 0.34 116.57 117.48 3iqz h LYS 146 Ca 0.09 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.97 3iqz h LYS 146 Cb 0.43 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.06 3iqz h LYS 146 CO 0.01 -0.19 -0.24 0.28 -3.45 0.00 0.00 179.45 175.87 3iqz h VAL 147 N -0.30 0.41 0.00 2.00 2.07 -0.84 0.55 116.25 120.13 3iqz h VAL 147 Ca 0.12 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.53 3iqz h VAL 147 Cb 0.48 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3iqz h VAL 147 CO -0.37 0.00 -0.54 -0.07 0.02 0.00 0.00 177.57 176.61 3iqz h LEU 148 N -0.27 0.00 0.22 2.57 3.38 -0.48 -2.36 115.31 118.38 3iqz h LEU 148 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3iqz h LEU 148 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3iqz h LEU 148 CO -0.35 0.54 -0.11 0.00 0.09 0.00 0.00 178.44 178.61 3iqz h ALA 149 N 1.46 -0.30 0.00 1.53 0.00 -0.20 -1.42 119.26 120.34 3iqz h ALA 149 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3iqz h ALA 149 Cb 1.03 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3iqz h ALA 149 CO 0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 179.25 178.88 3iqz h ALA 150 N -0.76 1.01 0.00 0.00 0.00 -0.93 -2.09 119.26 116.49 3iqz h ALA 150 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3iqz h ALA 150 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3iqz h ALA 150 CO 0.05 0.16 -0.10 0.25 0.00 0.00 0.00 179.25 179.61 3iqz n THR 151 N -3.26 0.46 -0.02 0.00 -2.24 -0.89 -4.75 114.28 103.57 3iqz n THR 151 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3iqz n THR 151 Cb 0.38 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 1.35 0.50 0.34 3.38 0.00 -0.79 -4.98 105.19 104.99 3iqz n GLY 152 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 1.17 0.00 1.61 2.07 -1.67 -1.44 116.25 118.00 3iqz h VAL 153 Ca 0.00 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 3iqz h VAL 153 Cb 0.00 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 3iqz h VAL 153 CO 0.00 0.21 -0.25 -0.26 0.02 0.00 0.00 177.57 177.29 3iqz h PHE 154 N 1.14 0.00 -0.30 1.57 0.05 -1.52 -1.28 116.94 116.60 3iqz h PHE 154 Ca 0.35 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 62.00 3iqz h PHE 154 Cb -0.04 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 3iqz h PHE 154 CO -0.01 0.25 -0.36 -0.09 -0.18 0.00 0.00 178.31 177.91 3iqz h ARG 155 N 0.00 0.69 -0.57 1.51 2.43 -1.57 -0.07 114.38 116.80 3iqz h ARG 155 Ca -0.00 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 3iqz h ARG 155 Cb 0.56 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3iqz h ARG 155 CO 0.03 0.94 0.13 0.28 -1.51 0.00 0.00 179.97 179.84 3iqz h VAL 156 N 0.57 1.25 -0.31 0.20 2.07 -0.66 -1.32 116.25 118.06 3iqz h VAL 156 Ca 0.06 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3iqz h VAL 156 Cb 0.88 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3iqz h VAL 156 CO 0.08 0.33 0.18 0.58 0.02 0.00 0.00 177.57 178.76 3iqz h VAL 157 N 0.82 1.12 -0.48 2.57 2.07 -1.14 -2.45 116.25 118.76 3iqz h VAL 157 Ca 0.18 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.46 3iqz h VAL 157 Cb 0.36 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 3iqz h VAL 157 CO 0.00 0.12 0.15 -0.61 0.02 0.00 0.00 177.57 177.26 3iqz h GLN 158 N 0.38 0.30 -0.35 1.57 4.15 -0.77 -2.25 115.11 118.15 3iqz h GLN 158 Ca 0.11 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3iqz h GLN 158 Cb 0.04 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3iqz h GLN 158 CO -0.02 0.20 0.21 0.93 -1.93 0.00 0.00 178.83 178.22 3iqz h GLU 159 N 0.31 0.48 -0.13 1.69 5.08 -1.15 -1.13 114.58 119.73 3iqz h GLU 159 Ca 0.23 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 3iqz h GLU 159 Cb 0.26 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3iqz h GLU 159 CO -0.26 0.37 -0.10 0.00 -1.00 0.00 0.00 179.01 178.02 3iqz h ALA 160 N 1.09 0.01 -0.46 3.43 0.00 -1.11 0.10 119.26 122.32 3iqz h ALA 160 Ca 0.13 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3iqz h ALA 160 Cb 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3iqz h ALA 160 CO -0.02 -0.54 -0.10 0.74 0.00 0.00 0.00 179.25 179.32 3iqz h PHE 161 N -0.10 0.92 -0.82 0.00 -1.00 -1.37 -2.45 116.94 112.12 3iqz h PHE 161 Ca 0.08 -0.17 -0.04 0.00 2.81 0.00 0.00 57.97 60.65 3iqz h PHE 161 Cb 0.23 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.51 3iqz h PHE 161 CO -0.22 0.89 0.35 -0.44 -1.61 0.00 0.00 178.31 177.28 3iqz h ASP 162 N 0.76 1.11 -0.56 2.17 3.45 -0.72 0.13 116.42 122.75 3iqz h ASP 162 Ca 0.13 -0.16 0.02 0.00 0.43 0.00 0.00 57.03 57.44 3iqz h ASP 162 Cb 0.60 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 39.05 3iqz h ASP 162 CO 0.04 0.96 0.36 -0.33 -1.57 0.00 0.00 179.24 178.70 3iqz h GLU 163 N 1.18 0.70 -0.63 3.56 5.08 -0.93 -1.37 114.58 122.17 3iqz h GLU 163 Ca 0.27 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 3iqz h GLU 163 Cb 0.19 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3iqz h GLU 163 CO -0.03 0.46 0.25 1.25 -1.00 0.00 0.00 179.01 179.94 3iqz h LEU 164 N 0.72 0.87 -0.97 1.33 5.85 -0.94 -2.33 115.31 119.84 3iqz h LEU 164 Ca 0.22 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3iqz h LEU 164 Cb -0.04 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 3iqz h LEU 164 CO -0.07 0.81 0.62 0.40 -0.34 0.00 0.00 178.44 179.86 3iqz h ILE 165 N 0.89 1.26 -0.80 4.05 2.04 -0.47 -0.08 117.51 124.39 3iqz h ILE 165 Ca 0.21 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3iqz h ILE 165 Cb 0.21 -0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 3iqz h ILE 165 CO -0.02 0.26 0.37 -0.33 0.00 0.00 0.00 178.15 178.43 3iqz h GLU 166 N 1.33 1.15 -0.59 2.37 4.39 -1.04 -2.23 114.58 119.96 3iqz h GLU 166 Ca 0.35 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 3iqz h GLU 166 Cb -0.12 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.30 3iqz h GLU 166 CO -0.07 0.89 0.19 0.87 -1.16 0.00 0.00 179.01 179.74 3iqz h LYS 167 N 1.14 0.91 -0.27 2.33 1.79 -0.81 -1.95 116.57 119.71 3iqz h LYS 167 Ca 0.27 -0.19 0.06 0.00 -2.18 0.00 0.00 60.65 58.61 3iqz h LYS 167 Cb 0.13 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3iqz h LYS 167 CO -0.03 0.81 0.19 0.00 -1.08 0.00 0.00 179.45 179.34 3iqz h ALA 168 N 1.06 2.15 0.00 3.86 0.00 -0.64 -0.84 119.26 124.85 3iqz h ALA 168 Ca 0.19 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3iqz h ALA 168 Cb 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3iqz h ALA 168 CO -0.01 -0.21 -0.76 0.87 0.00 0.00 0.00 179.25 179.14 3iqz h LYS 169 N 0.08 0.00 0.00 0.00 1.57 -0.98 -2.14 116.57 115.10 3iqz h LYS 169 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3iqz h LYS 169 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3iqz h LYS 169 CO -0.01 0.65 0.00 0.39 -0.57 0.00 0.00 179.45 179.91 3iqz n GLU 170 N -3.24 0.18 0.00 3.15 -0.58 -0.41 -4.92 120.64 114.83 3iqz n GLU 170 Ca 0.00 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 3iqz n GLU 170 Cb 0.82 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 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 -1.35 0.00 -3.97 1.62 4.64 -0.67 -4.98 116.55 111.84 3iqz n ASP 171 Ca 0.07 0.00 -0.26 0.00 -1.38 0.00 0.00 54.79 53.22 3iqz n ASP 171 Cb 0.17 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.08 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 -0.44 1.71 -0.37 -0.67 8.01 -1.25 -5.01 118.70 120.69 3iqz s GLU 172 Ca 0.00 -0.36 -0.07 0.00 0.01 0.00 0.00 54.97 54.55 3iqz s GLU 172 Cb 0.00 -1.59 0.06 0.00 -4.31 0.00 0.00 34.13 28.29 3iqz s GLU 172 CO 0.00 -0.14 0.16 0.42 0.01 0.00 0.00 175.26 175.71 3iqz s ILE 173 N 1.26 3.82 0.57 -1.63 1.01 -1.26 -4.71 121.20 120.26 3iqz s ILE 173 Ca -0.03 -1.35 -0.04 0.00 0.00 0.00 0.00 60.65 59.23 3iqz s ILE 173 Cb -0.14 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 39.07 3iqz s ILE 173 CO -0.04 -0.35 0.86 -0.94 0.00 0.00 0.00 174.94 174.47 3iqz s SER 174 N 1.69 5.49 0.55 3.58 1.04 -1.26 -4.92 113.70 119.86 3iqz s SER 174 Ca 0.01 0.50 0.26 0.00 0.48 0.00 0.00 55.95 57.19 3iqz s SER 174 Cb -0.21 -1.48 1.46 0.00 0.10 0.00 0.00 66.02 65.88 3iqz s SER 174 CO 0.01 -1.08 2.03 -0.33 0.98 0.00 0.00 173.24 174.85 3iqz h GLU 175 N -0.09 0.00 0.00 4.02 5.08 -1.98 -0.35 114.58 121.26 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 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3iqz h GLU 175 CO 0.59 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.69 3iqz n ASN 176 N -4.19 0.51 -0.01 1.42 3.02 -1.26 -2.46 115.26 112.30 3iqz n ASN 176 Ca 0.06 0.66 0.08 0.00 -0.03 0.00 0.00 54.58 55.36 3iqz n ASN 176 Cb 0.49 -0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 38.76 3iqz n ASN 176 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3iqz n ASP 177 N -2.11 0.13 -4.73 6.41 10.43 -0.15 -4.94 116.55 121.59 3iqz n ASP 177 Ca 0.01 0.05 -0.42 0.00 2.57 0.00 0.00 54.79 57.01 3iqz n ASP 177 Cb 0.15 1.64 -0.03 0.00 1.84 0.00 0.00 41.12 44.72 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 -4.78 4.38 0.60 0.64 1.43 -1.03 -4.82 118.68 115.11 3iqz s LEU 178 Ca -0.07 2.58 -0.19 0.00 -1.03 0.00 0.00 54.13 55.42 3iqz s LEU 178 Cb 0.12 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 3iqz s LEU 178 CO 0.88 -0.72 1.23 -2.16 0.23 0.00 0.00 176.35 175.82 3iqz s PRO 179 N 0.34 2.89 -0.42 1.29 0.04 -1.26 -4.83 135.00 133.04 3iqz s PRO 179 Ca 0.63 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.62 3iqz s PRO 179 Cb -0.41 -1.93 0.18 0.00 0.04 0.00 0.00 34.50 32.38 3iqz s PRO 179 CO 0.37 -1.28 0.38 1.63 0.04 0.00 0.00 177.00 178.14 3iqz n LYS 180 N -1.62 0.38 -4.99 4.56 5.02 -1.22 -0.43 118.16 119.86 3iqz n LYS 180 Ca 0.14 -3.26 -0.32 0.00 -2.02 0.00 0.00 58.31 52.85 3iqz n LYS 180 Cb 0.49 -1.63 -0.14 0.00 -0.02 0.00 0.00 35.03 33.73 3iqz n LYS 180 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iqz s LEU 181 N -0.26 2.54 -0.20 -0.35 1.43 -0.55 -4.99 118.68 116.30 3iqz s LEU 181 Ca 0.33 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3iqz s LEU 181 Cb 0.06 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.80 3iqz s LEU 181 CO -0.18 0.30 -0.18 -0.69 0.23 0.00 0.00 176.35 175.83 3iqz s VAL 182 N -0.47 2.11 -0.14 -1.59 1.01 -1.26 -0.81 120.40 119.25 3iqz s VAL 182 Ca 0.06 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 3iqz s VAL 182 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3iqz s VAL 182 CO 0.02 0.40 0.04 -0.63 0.00 0.00 0.00 175.10 174.93 3iqz s ILE 183 N 1.25 4.61 0.00 2.22 1.01 0.70 -4.93 121.20 126.06 3iqz s ILE 183 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3iqz s ILE 183 Cb -0.15 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.31 3iqz s ILE 183 CO -0.11 0.53 0.00 -0.90 0.00 0.00 0.00 174.94 174.46 3iqz n ASP 184 N 2.86 0.00 -0.23 3.58 5.75 -1.26 -1.25 116.55 126.00 3iqz n ASP 184 Ca -0.18 -0.86 0.03 0.00 -0.01 0.00 0.00 54.79 53.77 3iqz n ASP 184 Cb 0.53 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.75 3iqz n ASP 184 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3iqz h ARG 185 N 0.00 0.13 0.00 0.11 2.43 -1.89 0.47 114.38 115.64 3iqz h ARG 185 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3iqz h ARG 185 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3iqz h ARG 185 CO 0.00 0.09 0.00 0.09 -1.51 0.00 0.00 179.97 178.64 3iqz n ASN 186 N -5.28 0.58 -0.23 -3.80 3.02 -1.26 -2.58 115.26 105.70 3iqz n ASN 186 Ca 0.11 0.62 0.14 0.00 -0.03 0.00 0.00 54.58 55.42 3iqz n ASN 186 Cb 0.41 -0.75 0.44 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.80 0.00 3.41 2.02 -1.25 -0.14 112.91 117.75 3iqz h THR 187 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3iqz h THR 187 Cb 0.42 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3iqz h THR 187 CO 0.00 0.10 0.00 -0.07 0.37 0.00 0.00 175.52 175.92 3iqz h LEU 188 N 0.57 0.00 -1.11 2.58 3.38 -1.64 -2.31 115.31 116.77 3iqz h LEU 188 Ca 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 3iqz h LEU 188 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3iqz h LEU 188 CO -0.18 0.00 -0.04 -0.07 0.09 0.00 0.00 178.44 178.24 3iqz h LEU 189 N 0.00 0.00 -1.47 1.67 3.38 -1.22 -2.75 115.31 114.92 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 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3iqz h LEU 189 CO 0.00 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.95 3iqz n GLU 190 N -3.14 1.99 -4.02 1.13 1.02 -0.87 -4.98 120.64 111.77 3iqz n GLU 190 Ca 0.01 -1.46 -0.25 0.00 -0.02 0.00 0.00 57.16 55.44 3iqz n GLU 190 Cb 0.37 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.84 2.29 -0.26 3.49 0.52 -1.04 -5.04 118.95 117.07 3iqz s ARG 191 Ca 0.34 -1.84 0.09 0.00 -0.52 0.00 0.00 55.73 53.80 3iqz s ARG 191 Cb 0.20 -2.05 0.45 0.00 0.52 0.00 0.00 34.95 34.07 3iqz s ARG 191 CO 0.30 -0.22 1.20 0.39 0.02 0.00 0.00 175.30 176.99 3iqz n GLU 192 N -1.38 2.93 -0.06 3.54 -0.58 -1.26 -4.86 120.64 118.97 3iqz n GLU 192 Ca -0.01 -3.87 -0.10 0.00 -0.42 0.00 0.00 57.16 52.76 3iqz n GLU 192 Cb 0.64 -2.04 -0.03 0.00 -0.57 0.00 0.00 31.44 29.44 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 1.83 0.32 -5.22 3.49 4.57 -1.96 -3.43 114.58 114.18 3iqz h GLU 193 Ca 0.24 -0.03 -0.61 0.00 -1.18 0.00 0.00 59.36 57.78 3iqz h GLU 193 Cb 1.38 -0.06 -0.13 0.00 -0.16 0.00 0.00 28.75 29.77 3iqz h GLU 193 CO 0.51 0.28 -0.44 -0.06 -1.18 0.00 0.00 179.01 178.12 3iqz s PHE 194 N -5.91 3.36 0.26 0.92 0.08 -1.26 -4.60 117.98 110.84 3iqz s PHE 194 Ca -0.13 0.35 0.05 0.00 0.12 0.00 0.00 56.93 57.31 3iqz s PHE 194 Cb 0.08 -2.28 0.33 0.00 -0.57 0.00 0.00 43.02 40.58 3iqz s PHE 194 CO 0.70 0.13 1.62 1.49 -0.10 0.00 0.00 175.22 179.06 3iqz h GLU 195 N 7.18 0.26 -5.26 0.44 4.22 -1.83 -3.43 114.58 116.15 3iqz h GLU 195 Ca -0.39 -0.15 -0.61 0.00 0.08 0.00 0.00 59.36 58.29 3iqz h GLU 195 Cb 1.16 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 3iqz h GLU 195 CO 0.70 0.71 -0.34 1.21 -2.18 0.00 0.00 179.01 179.12 3iqz s ASN 196 N -6.89 6.28 0.47 1.04 2.47 -1.26 -4.97 114.94 112.09 3iqz s ASN 196 Ca -0.04 0.32 0.19 0.00 0.42 0.00 0.00 52.86 53.75 3iqz s ASN 196 Cb 0.13 -2.17 1.14 0.00 -1.45 0.00 0.00 41.25 38.89 3iqz s ASN 196 CO 0.79 -0.01 2.00 1.55 -3.72 0.00 0.00 177.10 177.71 3iqz h PRO 197 N 7.45 0.00 0.00 0.43 0.13 -2.00 -2.20 132.00 135.80 3iqz h PRO 197 Ca -0.37 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.69 0.18 -0.61 1.88 -0.23 0.00 0.00 178.00 179.90 3iqz h TYR 198 N 0.00 0.00 -0.60 1.56 0.05 -1.98 -1.87 116.97 114.13 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 0.36 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 3iqz h TYR 198 CO 0.00 0.61 0.22 0.00 -1.05 0.00 0.00 178.16 177.94 3iqz h ALA 199 N 1.39 1.26 -0.20 3.88 0.00 -1.71 -0.72 119.26 123.16 3iqz h ALA 199 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3iqz h ALA 199 Cb 1.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3iqz h ALA 199 CO 0.08 0.54 0.06 1.98 0.00 0.00 0.00 179.25 181.91 3iqz h MET 200 N 0.86 0.31 0.00 0.00 1.85 -1.03 -1.42 114.93 115.50 3iqz h MET 200 Ca 0.20 -0.07 -0.09 0.00 -0.61 0.00 0.00 59.70 59.14 3iqz h MET 200 Cb 0.20 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 3iqz h MET 200 CO -0.01 0.41 -0.42 -0.39 -0.40 0.00 0.00 176.91 176.10 3iqz h VAL 201 N 0.14 0.95 -0.36 -5.77 -1.51 -1.17 -0.85 116.25 107.68 3iqz h VAL 201 Ca 0.06 -1.67 -0.13 0.00 -1.23 0.00 0.00 66.70 63.73 3iqz h VAL 201 Cb 0.24 2.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 3iqz h VAL 201 CO -0.00 0.41 -0.31 0.11 -1.23 0.00 0.00 177.57 176.55 3iqz h LYS 202 N 0.00 0.78 -0.14 5.19 1.57 -1.06 -0.88 116.57 122.02 3iqz h LYS 202 Ca -0.00 -0.36 -0.12 0.00 -1.87 0.00 0.00 60.65 58.30 3iqz h LYS 202 Cb 0.97 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 3iqz h LYS 202 CO 0.05 0.98 -0.43 0.00 -0.57 0.00 0.00 179.45 179.48 3iqz h ALA 203 N 0.99 1.01 -0.29 3.86 0.00 -0.90 -0.58 119.26 123.35 3iqz h ALA 203 Ca 0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3iqz h ALA 203 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3iqz h ALA 203 CO 0.07 0.62 -0.19 0.52 0.00 0.00 0.00 179.25 180.27 3iqz h MET 204 N 0.27 0.64 -0.48 0.00 2.86 -0.95 -1.80 114.93 115.47 3iqz h MET 204 Ca 0.02 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.41 3iqz h MET 204 Cb 0.87 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.48 3iqz h MET 204 CO 0.07 0.89 0.21 0.00 1.06 0.00 0.00 176.91 179.14 3iqz h ALA 205 N 0.73 0.60 -0.72 6.32 0.00 -1.01 0.18 119.26 125.37 3iqz h ALA 205 Ca 0.06 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3iqz h ALA 205 Cb 0.73 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3iqz h ALA 205 CO 0.05 -0.16 0.46 0.00 0.00 0.00 0.00 179.25 179.60 3iqz h ALA 206 N 1.29 0.94 -0.49 0.00 0.00 -0.91 -1.19 119.26 118.89 3iqz h ALA 206 Ca 0.22 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3iqz h ALA 206 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iqz h ALA 206 CO -0.19 0.25 -0.20 -0.07 0.00 0.00 0.00 179.25 179.05 3iqz h LEU 207 N 0.90 1.03 -0.08 0.00 3.38 -0.87 -1.52 115.31 118.15 3iqz h LEU 207 Ca 0.28 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3iqz h LEU 207 Cb -0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 3iqz h LEU 207 CO -0.10 1.19 0.05 -0.08 0.09 0.00 0.00 178.44 179.59 3iqz h GLU 208 N 0.86 0.10 -0.80 1.13 4.57 -0.75 -0.32 114.58 119.37 3iqz h GLU 208 Ca 0.11 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3iqz h GLU 208 Cb 0.78 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 3iqz h GLU 208 CO 0.06 0.07 0.50 0.82 -1.18 0.00 0.00 179.01 179.29 3iqz h ILE 209 N 0.10 1.22 -0.28 2.32 2.04 -1.14 -0.58 117.51 121.19 3iqz h ILE 209 Ca 0.03 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3iqz h ILE 209 Cb -0.01 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 3iqz h ILE 209 CO -0.01 0.22 0.07 0.00 0.00 0.00 0.00 178.15 178.44 3iqz h ALA 210 N 1.27 0.36 -0.92 1.87 0.00 -1.11 -0.28 119.26 120.45 3iqz h ALA 210 Ca 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iqz h ALA 210 Cb -0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3iqz h ALA 210 CO -0.06 0.01 0.57 0.93 0.00 0.00 0.00 179.25 180.71 3iqz h GLU 211 N 0.28 1.24 0.00 0.00 5.08 -0.94 -2.05 114.58 118.18 3iqz h GLU 211 Ca 0.09 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3iqz h GLU 211 Cb 0.27 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iqz h GLU 211 CO -0.00 0.85 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.80 3iqz h ASN 212 N 1.26 0.00 -0.82 1.42 2.35 -0.42 -2.82 115.58 116.54 3iqz h ASN 212 Ca 0.33 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.15 3iqz h ASN 212 Cb -0.08 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 3iqz h ASN 212 CO -0.07 0.15 0.54 0.58 -1.65 0.00 0.00 177.43 176.98 3iqz h VAL 213 N 0.00 1.03 -0.73 2.81 2.07 -0.31 -2.97 116.25 118.15 3iqz h VAL 213 Ca -0.00 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.32 3iqz h VAL 213 Cb 0.32 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.09 3iqz h VAL 213 CO 0.02 0.16 0.36 0.00 0.02 0.00 0.00 177.57 178.13 3iqz h ALA 214 N 1.56 1.01 -0.26 1.67 0.00 -1.57 -0.60 119.26 121.08 3iqz h ALA 214 Ca 0.36 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 3iqz h ALA 214 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iqz h ALA 214 CO -0.13 -0.06 -0.30 -0.44 0.00 0.00 0.00 179.25 178.32 3iqz h ASP 215 N 0.60 0.53 -0.04 0.00 3.45 -1.71 0.83 116.42 120.09 3iqz h ASP 215 Ca 0.36 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 3iqz h ASP 215 Cb 0.40 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.03 3iqz h ASP 215 CO -0.28 0.81 -0.03 0.58 -1.57 0.00 0.00 179.24 178.74 3iqz h VAL 216 N 0.45 1.37 -0.50 -1.35 2.07 -1.41 -1.70 116.25 115.17 3iqz h VAL 216 Ca 0.06 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.51 3iqz h VAL 216 Cb 0.75 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 3iqz h VAL 216 CO 0.06 0.31 0.17 0.28 0.02 0.00 0.00 177.57 178.40 3iqz h SER 217 N -0.35 0.15 -0.45 0.57 0.02 -0.87 -1.01 113.55 111.60 3iqz h SER 217 Ca 0.01 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3iqz h SER 217 Cb 0.51 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3iqz h SER 217 CO 0.01 0.11 0.22 0.58 -1.14 0.00 0.00 176.83 176.61 3iqz h VAL 218 N 0.33 1.18 -0.50 2.27 2.07 -0.86 0.10 116.25 120.85 3iqz h VAL 218 Ca 0.25 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3iqz h VAL 218 Cb 0.28 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3iqz h VAL 218 CO -0.26 0.20 0.28 -0.08 0.02 0.00 0.00 177.57 177.73 3iqz h GLU 219 N 0.59 0.68 0.00 1.57 4.81 -0.97 0.23 114.58 121.49 3iqz h GLU 219 Ca 0.16 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 3iqz h GLU 219 Cb 0.11 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3iqz h GLU 219 CO -0.02 0.52 -0.51 0.78 -0.73 0.00 0.00 179.01 179.05 3iqz h GLY 220 N 0.66 0.00 0.50 1.92 0.00 -0.94 0.97 103.07 106.18 3iqz h GLY 220 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.17 3iqz h GLY 220 CO -0.03 0.00 -2.05 0.00 0.00 0.00 0.00 176.54 174.45 3iqz n PHE 222 N -3.03 0.00 0.03 0.00 3.72 0.77 -4.90 117.46 114.04 3iqz n PHE 222 Ca -0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.12 3iqz n PHE 222 Cb 1.08 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 39.60 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 -1.18 1.11 -2.15 -4.37 0.31 -0.95 -5.01 118.33 106.08 3iqz n VAL 223 Ca 0.00 0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 64.25 3iqz n VAL 223 Cb 0.04 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 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 -2.06 4.26 -0.02 5.55 2.56 0.30 -4.91 118.70 124.37 3iqz s GLU 224 Ca -0.02 2.05 0.20 0.00 0.00 0.00 0.00 54.97 57.20 3iqz s GLU 224 Cb 0.00 -3.61 -0.29 0.00 2.00 0.00 0.00 34.13 32.23 3iqz s GLU 224 CO 0.03 -0.63 0.49 1.04 -0.56 0.00 0.00 175.26 175.63 3iqz n GLN 225 N 5.58 0.61 -2.79 4.30 1.13 -1.26 -4.77 117.38 120.18 3iqz n GLN 225 Ca 0.14 -0.15 -0.43 0.00 -1.94 0.00 0.00 57.00 54.62 3iqz n GLN 225 Cb 0.43 -1.45 -0.04 0.00 0.11 0.00 0.00 30.24 29.29 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 -4.03 6.57 0.66 1.08 3.68 -1.26 -4.94 116.67 118.42 3iqz s ASP 226 Ca -0.05 0.29 0.44 0.00 2.13 0.00 0.00 52.55 55.36 3iqz s ASP 226 Cb 0.13 -2.46 2.32 0.00 -1.45 0.00 0.00 42.92 41.45 3iqz s ASP 226 CO 0.81 -1.01 2.33 0.07 0.13 0.00 0.00 175.17 177.50 3iqz h LYS 227 N 8.91 0.00 0.00 4.34 2.10 -1.97 0.41 116.57 130.36 3iqz h LYS 227 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3iqz h LYS 227 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3iqz h LYS 227 CO 1.02 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 179.40 3iqz h GLU 228 N 0.00 0.00 0.00 0.07 5.08 -2.01 -2.86 114.58 114.86 3iqz h GLU 228 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3iqz h GLU 228 Cb 0.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 3iqz h GLU 228 CO 0.00 0.00 -2.32 0.54 -1.00 0.00 0.00 179.01 176.23 3iqz n ARG 229 N -2.70 0.53 0.14 2.33 1.74 0.12 -4.60 116.66 114.22 3iqz n ARG 229 Ca 0.01 0.18 -0.01 0.00 -0.77 0.00 0.00 57.85 57.27 3iqz n ARG 229 Cb 0.27 -1.40 0.18 0.00 -1.02 0.00 0.00 32.46 30.49 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 -0.48 0.00 0.26 -1.55 -0.00 -0.92 -2.26 116.97 112.02 3iqz h TYR 230 Ca -0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.15 3iqz h TYR 230 Cb 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.37 3iqz h TYR 230 CO -0.03 0.60 -0.12 0.28 -0.00 0.00 0.00 178.16 178.89 3iqz h VAL 231 N 0.00 0.79 -0.66 -0.90 2.07 -1.77 -1.40 116.25 114.38 3iqz h VAL 231 Ca -0.01 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.24 3iqz h VAL 231 Cb 1.11 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3iqz h VAL 231 CO 0.08 0.07 0.44 -0.65 0.02 0.00 0.00 177.57 177.53 3iqz h PRO 232 N -0.51 0.72 0.04 1.57 0.11 -1.80 -1.44 132.00 130.69 3iqz h PRO 232 Ca -0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3iqz h PRO 232 Cb 0.38 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3iqz h PRO 232 CO 0.06 0.48 -0.02 0.82 -0.21 0.00 0.00 178.00 179.13 3iqz h ILE 233 N 0.75 1.06 -0.30 4.15 2.04 -1.21 -0.27 117.51 123.73 3iqz h ILE 233 Ca 0.27 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 3iqz h ILE 233 Cb 0.15 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3iqz h ILE 233 CO -0.08 0.08 -0.17 -0.37 0.00 0.00 0.00 178.15 177.62 3iqz h VAL 234 N -0.20 1.25 -0.60 1.67 -1.51 -1.04 -2.58 116.25 113.25 3iqz h VAL 234 Ca -0.01 -1.13 -0.05 0.00 -1.23 0.00 0.00 66.70 64.29 3iqz h VAL 234 Cb 0.18 1.20 -0.03 0.00 -2.13 0.00 0.00 31.29 30.51 3iqz h VAL 234 CO 0.01 0.37 0.18 0.00 -1.23 0.00 0.00 177.57 176.90 3iqz h ALA 235 N 1.34 1.20 0.00 5.19 0.00 -1.08 -2.43 119.26 123.48 3iqz h ALA 235 Ca 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3iqz h ALA 235 Cb 0.57 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3iqz h ALA 235 CO 0.04 0.56 -0.15 0.66 0.00 0.00 0.00 179.25 180.36 3iqz h SER 236 N 0.88 0.00 -0.40 0.00 4.64 -0.66 -2.02 113.55 115.98 3iqz h SER 236 Ca 0.20 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 3iqz h SER 236 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3iqz h SER 236 CO -0.01 0.15 -0.11 0.00 -0.87 0.00 0.00 176.83 175.99 3iqz h ALA 237 N 1.85 0.93 -0.05 5.18 0.00 -1.14 -1.91 119.26 124.11 3iqz h ALA 237 Ca -0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 3iqz h ALA 237 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3iqz h ALA 237 CO 0.02 0.63 -0.68 0.45 0.00 0.00 0.00 179.25 179.66 3iqz h HIS 238 N 0.77 0.33 -0.26 0.00 3.86 -1.22 -2.25 115.15 116.38 3iqz h HIS 238 Ca 0.13 -0.14 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 3iqz h HIS 238 Cb 0.62 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3iqz h HIS 238 CO 0.03 0.85 -0.20 0.93 0.86 0.00 0.00 177.93 180.40 3iqz h GLU 239 N 0.17 0.47 -0.39 2.45 4.39 -1.24 -1.13 114.58 119.31 3iqz h GLU 239 Ca -0.02 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 3iqz h GLU 239 Cb 1.22 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 3iqz h GLU 239 CO 0.11 0.65 0.08 0.52 -1.16 0.00 0.00 179.01 179.21 3iqz h MET 240 N 0.42 0.63 -0.60 2.33 2.86 -0.97 -2.67 114.93 116.93 3iqz h MET 240 Ca 0.07 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 3iqz h MET 240 Cb 0.60 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3iqz h MET 240 CO 0.04 0.67 -0.03 1.98 1.06 0.00 0.00 176.91 180.63 3iqz h MET 241 N 0.48 1.07 -0.89 1.72 1.85 -1.09 -0.52 114.93 117.55 3iqz h MET 241 Ca 0.12 -0.36 0.09 0.00 -0.61 0.00 0.00 59.70 58.94 3iqz h MET 241 Cb 0.33 -0.09 -0.07 0.00 0.43 0.00 0.00 31.60 32.20 3iqz h MET 241 CO 0.00 1.06 0.54 -0.09 -0.40 0.00 0.00 176.91 178.03 3iqz h ARG 242 N 0.97 0.89 -0.10 0.39 2.43 -1.14 -1.37 114.38 116.45 3iqz h ARG 242 Ca 0.17 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 3iqz h ARG 242 Cb 0.60 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3iqz h ARG 242 CO 0.04 0.59 -0.56 0.87 -1.51 0.00 0.00 179.97 179.40 3iqz h LYS 243 N 0.92 0.30 -0.71 0.20 1.79 -1.08 -2.55 116.57 115.44 3iqz h LYS 243 Ca 0.42 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.66 3iqz h LYS 243 Cb 0.33 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 3iqz h LYS 243 CO -0.23 0.78 0.28 0.00 -1.08 0.00 0.00 179.45 179.20 3iqz h ALA 244 N 1.18 1.15 -0.64 3.86 0.00 -0.47 -1.18 119.26 123.17 3iqz h ALA 244 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3iqz h ALA 244 Cb 1.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3iqz h ALA 244 CO 0.09 0.61 0.29 0.00 0.00 0.00 0.00 179.25 180.24 3iqz h ALA 245 N 1.28 0.83 -0.30 0.00 0.00 -1.08 -1.15 119.26 118.82 3iqz h ALA 245 Ca 0.24 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3iqz h ALA 245 Cb 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3iqz h ALA 245 CO -0.02 0.41 0.18 1.49 0.00 0.00 0.00 179.25 181.31 3iqz h GLU 246 N 0.89 0.35 -0.55 0.00 4.81 -1.04 0.10 114.58 119.14 3iqz h GLU 246 Ca 0.22 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 3iqz h GLU 246 Cb 0.15 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 3iqz h GLU 246 CO -0.02 0.23 0.27 -0.07 -0.73 0.00 0.00 179.01 178.69 3iqz h LEU 247 N 0.36 0.38 -0.66 1.64 3.38 -0.92 0.22 115.31 119.71 3iqz h LEU 247 Ca 0.12 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3iqz h LEU 247 Cb -0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3iqz h LEU 247 CO -0.05 0.25 0.26 0.00 0.09 0.00 0.00 178.44 178.99 3iqz h ALA 248 N 1.31 0.86 -0.52 1.53 0.00 -0.90 -1.00 119.26 120.55 3iqz h ALA 248 Ca 0.25 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3iqz h ALA 248 Cb 0.18 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3iqz h ALA 248 CO -0.19 0.49 0.27 0.22 0.00 0.00 0.00 179.25 180.05 3iqz h ASP 249 N 0.94 0.40 -0.65 0.00 3.58 -0.14 -2.10 116.42 118.46 3iqz h ASP 249 Ca 0.22 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 3iqz h ASP 249 Cb 0.22 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 3iqz h ASP 249 CO -0.02 0.28 0.37 -0.08 -2.88 0.00 0.00 179.24 176.91 3iqz h GLU 250 N 0.53 0.89 -0.33 0.28 4.81 -0.17 -0.93 114.58 119.66 3iqz h GLU 250 Ca 0.22 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3iqz h GLU 250 Cb 0.11 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3iqz h GLU 250 CO -0.14 0.65 0.11 0.00 -0.73 0.00 0.00 179.01 178.90 3iqz h ALA 251 N 1.19 0.38 -0.72 2.92 0.00 -0.84 -2.06 119.26 120.13 3iqz h ALA 251 Ca 0.23 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3iqz h ALA 251 Cb 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3iqz h ALA 251 CO -0.04 -0.28 0.32 -0.09 0.00 0.00 0.00 179.25 179.16 3iqz h ARG 252 N 0.26 1.04 -0.38 0.00 2.43 -0.82 -2.31 114.38 114.60 3iqz h ARG 252 Ca 0.15 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3iqz h ARG 252 Cb 0.12 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3iqz h ARG 252 CO -0.15 0.82 0.03 0.93 -1.51 0.00 0.00 179.97 180.09 3iqz h GLU 253 N 1.03 0.58 -0.41 0.20 4.39 -0.97 -1.08 114.58 118.32 3iqz h GLU 253 Ca 0.25 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3iqz h GLU 253 Cb 0.14 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3iqz h GLU 253 CO -0.03 0.59 0.26 -0.07 -1.16 0.00 0.00 179.01 178.60 3iqz h LEU 254 N 0.56 0.48 -1.12 1.33 3.38 -1.07 -1.17 115.31 117.70 3iqz h LEU 254 Ca 0.12 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3iqz h LEU 254 Cb 0.32 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3iqz h LEU 254 CO 0.01 0.37 0.51 -0.33 0.09 0.00 0.00 178.44 179.09 3iqz h GLU 255 N 0.55 1.11 -0.67 1.13 4.39 -0.84 -2.24 114.58 118.00 3iqz h GLU 255 Ca 0.15 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.78 3iqz h GLU 255 Cb -0.03 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.34 3iqz h GLU 255 CO -0.03 0.76 0.42 0.87 -1.16 0.00 0.00 179.01 179.88 3iqz h LYS 256 N 1.13 0.81 0.00 2.33 1.57 -0.90 0.29 116.57 121.81 3iqz h LYS 256 Ca 0.30 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3iqz h LYS 256 Cb -0.07 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 3iqz h LYS 256 CO -0.06 0.54 -0.07 0.66 -0.57 0.00 0.00 179.45 179.95 3iqz h SER 257 N 0.84 0.00 -0.65 0.86 4.64 -0.59 0.78 113.55 119.43 3iqz h SER 257 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3iqz h SER 257 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3iqz h SER 257 CO -0.09 0.07 0.00 0.59 -0.87 0.00 0.00 176.83 176.52 3iqz n ASN 258 N -3.63 4.18 -4.08 4.97 3.02 -0.89 -4.94 115.26 113.88 3iqz n ASN 258 Ca -0.02 -2.21 -0.28 0.00 -0.03 0.00 0.00 54.58 52.04 3iqz n ASN 258 Cb 0.18 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 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 1.26 -0.25 -0.78 6.41 2.03 0.27 -4.86 116.55 120.64 3iqz n ASP 259 Ca 0.24 -1.08 0.06 0.00 0.52 0.00 0.00 54.79 54.52 3iqz n ASP 259 Cb 0.72 -2.62 0.15 0.00 -0.72 0.00 0.00 41.12 38.65 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 -4.44 3.14 -2.57 -1.67 0.00 0.04 -4.05 120.51 110.96 3iqz n ALA 260 Ca -0.28 -2.91 -0.43 0.00 0.00 0.00 0.00 53.44 49.82 3iqz n ALA 260 Cb 0.67 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.25 4.49 0.03 0.00 1.01 -1.10 -4.60 120.40 117.98 3iqz s VAL 261 Ca 0.35 1.77 -0.30 0.00 0.00 0.00 0.00 61.98 63.80 3iqz s VAL 261 Cb 0.35 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 3iqz s VAL 261 CO -0.08 -0.25 1.37 -0.22 0.00 0.00 0.00 175.10 175.92 3iqz s LEU 262 N 3.47 4.33 -0.04 3.92 2.96 -1.26 -4.27 118.68 127.80 3iqz s LEU 262 Ca 0.48 2.14 0.04 0.00 -0.22 0.00 0.00 54.13 56.58 3iqz s LEU 262 Cb -0.17 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.95 3iqz s LEU 262 CO 0.12 -0.68 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.18 3iqz s ARG 263 N 1.96 1.69 -0.52 1.98 0.52 -0.46 -5.01 118.95 119.11 3iqz s ARG 263 Ca 0.63 -0.59 0.06 0.00 -0.52 0.00 0.00 55.73 55.32 3iqz s ARG 263 Cb -0.32 -1.49 0.23 0.00 0.52 0.00 0.00 34.95 33.89 3iqz s ARG 263 CO 0.27 0.24 0.57 0.25 0.02 0.00 0.00 175.30 176.66 3iqz n THR 264 N 3.12 0.55 -1.72 0.02 -2.24 -1.26 -1.59 114.28 111.16 3iqz n THR 264 Ca -0.18 -4.44 -0.30 0.00 -2.27 0.00 0.00 64.05 56.86 3iqz n THR 264 Cb 0.53 -1.99 0.05 0.00 -2.10 0.00 0.00 70.33 66.83 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 -1.48 2.75 0.13 -0.78 0.04 -1.23 -4.62 135.00 129.82 3iqz s PRO 265 Ca 0.35 0.65 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 3iqz s PRO 265 Cb 0.12 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 3iqz s PRO 265 CO -0.10 -1.15 0.55 -1.01 0.04 0.00 0.00 177.00 175.33 3iqz s HIS 266 N -3.21 3.64 0.73 0.56 3.76 -1.26 -0.67 115.29 118.83 3iqz s HIS 266 Ca 0.58 1.09 -0.10 0.00 -0.15 0.00 0.00 55.06 56.48 3iqz s HIS 266 Cb -0.13 -2.39 0.05 0.00 1.11 0.00 0.00 32.58 31.22 3iqz s HIS 266 CO 0.53 0.46 1.10 0.00 -0.85 0.00 0.00 174.74 175.98 3iqz s ALA 267 N -1.41 2.88 0.29 -1.40 0.00 0.62 -4.92 121.76 117.82 3iqz s ALA 267 Ca 0.36 -0.59 0.37 0.00 0.00 0.00 0.00 51.96 52.11 3iqz s ALA 267 Cb -0.16 -2.89 1.79 0.00 0.00 0.00 0.00 23.12 21.86 3iqz s ALA 267 CO 0.19 -1.34 2.12 -1.35 0.00 0.00 0.00 175.76 175.38 3iqz h PRO 268 N -0.76 0.00 -0.64 0.00 0.11 -1.89 0.83 132.00 129.65 3iqz h PRO 268 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iqz h PRO 268 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3iqz h PRO 268 CO 0.64 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 3iqz n ASP 269 N -2.99 3.58 0.00 -2.05 5.75 -1.26 -0.15 116.55 119.43 3iqz n ASP 269 Ca -0.01 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 3iqz n ASP 269 Cb 0.19 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 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 1.43 3.33 3.68 6.12 0.00 0.29 -4.75 105.19 115.29 3iqz n GLY 270 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3iqz n GLY 270 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iqz n LYS 271 N -2.00 2.00 -3.33 1.61 3.00 -1.26 -4.60 118.16 113.57 3iqz n LYS 271 Ca 0.00 0.70 -0.40 0.00 -0.00 0.00 0.00 58.31 58.61 3iqz n LYS 271 Cb 0.00 -2.27 -0.09 0.00 0.00 0.00 0.00 35.03 32.67 3iqz n LYS 271 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3iqz s VAL 272 N -1.11 5.12 0.61 3.15 1.01 -1.26 -0.28 120.40 127.64 3iqz s VAL 272 Ca 0.57 0.53 0.01 0.00 0.00 0.00 0.00 61.98 63.08 3iqz s VAL 272 Cb -0.58 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.08 3iqz s VAL 272 CO 0.61 0.04 0.85 -0.76 0.00 0.00 0.00 175.10 175.85 3iqz s LEU 273 N 2.17 3.15 -0.10 3.92 1.43 0.15 -4.98 118.68 124.43 3iqz s LEU 273 Ca 0.17 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 3iqz s LEU 273 Cb -0.16 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.53 3iqz s LEU 273 CO 0.11 -1.39 0.31 -0.55 0.23 0.00 0.00 176.35 175.06 3iqz s SER 274 N -4.53 -0.31 0.22 2.29 0.15 -1.26 -3.52 113.70 106.74 3iqz s SER 274 Ca 0.60 0.55 -0.22 0.00 0.70 0.00 0.00 55.95 57.59 3iqz s SER 274 Cb -0.09 0.60 0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3iqz s SER 274 CO 0.40 -0.16 0.67 -1.59 1.20 0.00 0.00 173.24 173.77 3iqz s LYS 275 N -0.05 1.53 0.00 5.44 -2.85 -0.62 -1.39 119.74 121.80 3iqz s LYS 275 Ca -0.02 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.22 3iqz s LYS 275 Cb -0.03 0.60 0.00 0.00 -2.06 0.00 0.00 37.83 36.34 3iqz s LYS 275 CO 0.01 -0.69 0.00 0.54 0.10 0.00 0.00 175.35 175.31 3iqz n ARG 276 N -0.42 0.00 -2.74 1.78 5.12 -1.26 -1.36 116.66 117.78 3iqz n ARG 276 Ca -0.10 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.41 3iqz n ARG 276 Cb 0.62 -0.50 -0.05 0.00 -1.16 0.00 0.00 32.46 31.36 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 -1.90 4.76 0.24 5.56 1.02 -1.26 -2.69 119.74 125.47 3iqz s LYS 277 Ca 0.00 1.46 -0.04 0.00 0.02 0.00 0.00 55.97 57.41 3iqz s LYS 277 Cb 0.00 -3.34 0.45 0.00 -0.52 0.00 0.00 37.83 34.42 3iqz s LYS 277 CO 0.00 0.34 1.75 0.35 -0.92 0.00 0.00 175.35 176.86 3iqz h PHE 278 N 4.99 0.58 -0.01 3.18 3.04 -1.92 -1.60 116.94 125.21 3iqz h PHE 278 Ca -0.44 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.55 3iqz h PHE 278 Cb 1.21 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.57 3iqz h PHE 278 CO 0.63 0.12 -0.04 -1.33 -2.02 0.00 0.00 178.31 175.67 3iqz n MET 279 N -4.95 1.45 -3.03 1.11 2.81 -1.26 -4.90 117.12 108.35 3iqz n MET 279 Ca 0.14 -0.77 -0.40 0.00 -1.81 0.00 0.00 57.70 54.86 3iqz n MET 279 Cb 0.39 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.37 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 -2.09 4.45 0.34 0.03 2.12 -0.60 -5.02 118.70 117.93 3iqz s GLU 280 Ca 0.37 0.97 -0.29 0.00 0.36 0.00 0.00 54.97 56.38 3iqz s GLU 280 Cb 0.21 -3.39 -0.11 0.00 0.26 0.00 0.00 34.13 31.10 3iqz s GLU 280 CO 0.37 0.21 1.43 -0.51 -0.54 0.00 0.00 175.26 176.22 3iqz s ASP 281 N 0.23 6.54 0.24 -1.70 1.01 -1.26 -4.87 116.67 116.86 3iqz s ASP 281 Ca 0.37 2.86 -0.30 0.00 0.71 0.00 0.00 52.55 56.20 3iqz s ASP 281 Cb -0.19 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 41.00 3iqz s ASP 281 CO 0.21 -0.74 1.21 -2.16 0.21 0.00 0.00 175.17 173.90 3iqz s PRO 282 N -1.61 4.49 0.00 8.23 0.04 -1.26 -4.84 135.00 140.05 3iqz s PRO 282 Ca 0.53 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3iqz s PRO 282 Cb -0.44 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 30.92 3iqz s PRO 282 CO 0.56 -0.05 0.01 0.39 0.04 0.00 0.00 177.00 177.94