#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iod n ILE 3 N 0.00 1.01 -1.28 0.00 5.41 -1.26 -4.94 119.36 118.29 3iod n ILE 3 Ca 0.00 -0.25 -0.35 0.00 1.00 0.00 0.00 62.75 63.15 3iod n ILE 3 Cb 0.00 -1.94 0.09 0.00 -0.71 0.00 0.00 39.64 37.08 3iod n ILE 3 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3iod n PRO 4 N 2.17 0.40 -1.68 0.38 -0.02 -1.26 -4.89 135.00 130.10 3iod n PRO 4 Ca 0.09 0.19 -0.45 0.00 -2.02 0.00 0.00 63.50 61.31 3iod n PRO 4 Cb 0.36 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 3iod n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iod n ALA 5 N -2.66 1.47 -3.77 3.55 0.00 -1.26 -4.89 120.51 112.95 3iod n ALA 5 Ca 0.12 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.77 3iod n ALA 5 Cb 0.50 -2.35 -0.17 0.00 0.00 0.00 0.00 19.45 17.42 3iod n ALA 5 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3iod s PHE 6 N 0.64 0.78 -0.43 0.00 5.36 -1.26 -5.04 117.98 118.02 3iod s PHE 6 Ca 0.75 -0.24 -0.11 0.00 -0.96 0.00 0.00 56.93 56.37 3iod s PHE 6 Cb -0.65 -0.84 0.07 0.00 -0.34 0.00 0.00 43.02 41.26 3iod s PHE 6 CO 0.41 -0.34 0.30 -1.01 -1.46 0.00 0.00 175.22 173.12 3iod s HIS 7 N 1.83 3.30 0.37 10.12 3.76 -1.26 -5.08 115.29 128.33 3iod s HIS 7 Ca 0.03 -1.28 -0.27 0.00 -0.15 0.00 0.00 55.06 53.39 3iod s HIS 7 Cb -0.12 -2.97 -0.12 0.00 1.11 0.00 0.00 32.58 30.48 3iod s HIS 7 CO -0.05 -0.81 1.19 -2.30 -0.85 0.00 0.00 174.74 171.92 3iod n PRO 8 N 5.01 1.81 -0.91 8.40 -0.02 -1.26 -2.30 135.00 145.73 3iod n PRO 8 Ca -0.11 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3iod n PRO 8 Cb 0.43 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3iod n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iod n GLY 9 N 0.93 0.50 3.60 -1.23 0.00 -1.26 -5.00 105.19 102.73 3iod n GLY 9 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3iod n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iod s GLU 10 N -0.51 2.15 -0.35 1.61 2.02 -0.97 -5.02 118.70 117.62 3iod s GLU 10 Ca 0.00 -1.47 -0.29 0.00 0.02 0.00 0.00 54.97 53.23 3iod s GLU 10 Cb 0.00 -2.08 0.01 0.00 0.10 0.00 0.00 34.13 32.16 3iod s GLU 10 CO 0.00 0.37 1.21 -1.17 0.02 0.00 0.00 175.26 175.69 3iod s LEU 11 N -3.55 3.82 -0.28 1.80 2.96 -1.25 -4.27 118.68 117.91 3iod s LEU 11 Ca 0.30 0.99 -0.10 0.00 -0.22 0.00 0.00 54.13 55.10 3iod s LEU 11 Cb -0.06 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 3iod s LEU 11 CO 0.18 -1.08 0.15 0.20 -1.32 0.00 0.00 176.35 174.49 3iod s ASN 12 N 2.49 5.71 -0.21 3.68 0.01 0.61 -4.97 114.94 122.24 3iod s ASN 12 Ca 0.52 -0.16 -0.08 0.00 -0.71 0.00 0.00 52.86 52.43 3iod s ASN 12 Cb -0.13 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 3iod s ASN 12 CO 0.23 -0.08 0.08 -0.69 -1.51 0.00 0.00 177.10 175.14 3iod s VAL 13 N 1.70 4.75 -0.05 1.60 1.01 -1.26 -1.32 120.40 126.82 3iod s VAL 13 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3iod s VAL 13 Cb -0.16 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 3iod s VAL 13 CO 0.08 0.40 -0.18 -0.31 0.00 0.00 0.00 175.10 175.09 3iod s TYR 14 N 0.88 1.88 -0.07 5.22 2.02 -0.39 -4.99 117.35 121.90 3iod s TYR 14 Ca 0.04 -0.59 0.16 0.00 -0.37 0.00 0.00 57.07 56.32 3iod s TYR 14 Cb -0.14 -1.27 -0.24 0.00 -0.40 0.00 0.00 41.96 39.91 3iod s TYR 14 CO 0.03 -0.21 0.27 0.43 -1.57 0.00 0.00 175.55 174.50 3iod n SER 15 N 3.23 1.08 -4.67 2.29 7.64 -1.26 -0.50 113.62 121.42 3iod n SER 15 Ca -0.19 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.28 3iod n SER 15 Cb 0.53 1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 65.18 3iod n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iod s ALA 16 N -2.93 3.52 0.25 -0.43 0.00 -1.26 -3.91 121.76 117.00 3iod s ALA 16 Ca -0.07 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 3iod s ALA 16 Cb 0.09 -3.25 0.51 0.00 0.00 0.00 0.00 23.12 20.47 3iod s ALA 16 CO 0.69 -0.66 1.73 -1.35 0.00 0.00 0.00 175.76 176.17 3iod h PRO 17 N 7.33 0.46 -0.97 0.00 0.11 -1.92 -1.74 132.00 135.27 3iod h PRO 17 Ca -0.29 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.88 3iod h PRO 17 Cb 1.13 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.06 3iod h PRO 17 CO 0.84 0.31 0.63 0.78 -0.21 0.00 0.00 178.00 180.34 3iod h GLY 18 N 0.48 1.49 0.75 -0.55 0.00 -1.95 -0.57 103.07 102.71 3iod h GLY 18 Ca 0.44 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 3iod h GLY 18 CO -0.41 0.26 -0.02 -0.55 0.00 0.00 0.00 176.54 175.82 3iod h ASP 19 N 1.06 -0.04 0.08 0.19 3.32 -1.73 -0.21 116.42 119.08 3iod h ASP 19 Ca 0.44 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 3iod h ASP 19 Cb 0.30 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3iod h ASP 19 CO -0.19 0.22 -0.32 1.62 -1.72 0.00 0.00 179.24 178.85 3iod h VAL 20 N -0.30 1.28 -0.22 -1.35 3.04 -1.34 -0.76 116.25 116.59 3iod h VAL 20 Ca -0.01 -1.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.34 3iod h VAL 20 Cb 0.28 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 3iod h VAL 20 CO 0.01 0.42 0.14 0.00 -1.01 0.00 0.00 177.57 177.13 3iod h ALA 21 N 1.35 0.28 -0.34 3.17 0.00 -1.00 0.17 119.26 122.90 3iod h ALA 21 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3iod h ALA 21 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3iod h ALA 21 CO 0.05 -0.23 0.06 -0.44 0.00 0.00 0.00 179.25 178.70 3iod h ASP 22 N 0.29 0.53 -0.50 0.00 3.32 -0.60 -1.01 116.42 118.45 3iod h ASP 22 Ca 0.08 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 3iod h ASP 22 Cb -0.01 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3iod h ASP 22 CO -0.02 0.65 -0.07 0.58 -1.72 0.00 0.00 179.24 178.66 3iod h VAL 23 N 0.39 1.27 -0.39 -1.35 2.07 -1.10 -1.05 116.25 116.09 3iod h VAL 23 Ca 0.10 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3iod h VAL 23 Cb 0.34 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3iod h VAL 23 CO 0.00 0.41 0.24 -1.28 0.02 0.00 0.00 177.57 176.97 3iod h SER 24 N 0.78 0.46 -0.10 0.57 0.87 -0.82 0.15 113.55 115.46 3iod h SER 24 Ca 0.13 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3iod h SER 24 Cb 0.61 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3iod h SER 24 CO 0.04 0.37 0.07 -0.09 -0.53 0.00 0.00 176.83 176.68 3iod h ARG 25 N 0.51 0.14 -0.58 2.24 2.43 -1.06 -0.51 114.38 117.55 3iod h ARG 25 Ca 0.14 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3iod h ARG 25 Cb -0.01 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3iod h ARG 25 CO -0.03 0.10 0.38 0.00 -1.51 0.00 0.00 179.97 178.91 3iod h ALA 26 N 1.03 0.74 -0.47 2.80 0.00 -1.01 -2.52 119.26 119.83 3iod h ALA 26 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3iod h ALA 26 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3iod h ALA 26 CO -0.01 0.17 0.10 -0.07 0.00 0.00 0.00 179.25 179.44 3iod h LEU 27 N 0.78 0.73 -1.44 0.00 3.38 -0.49 -2.80 115.31 115.47 3iod h LEU 27 Ca 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3iod h LEU 27 Cb -0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3iod h LEU 27 CO -0.05 0.78 0.00 -0.09 0.09 0.00 0.00 178.44 179.17 3iod h ARG 28 N 0.64 0.36 0.00 1.13 2.43 -0.93 -1.44 114.38 116.58 3iod h ARG 28 Ca 0.15 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3iod h ARG 28 Cb 0.35 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3iod h ARG 28 CO 0.00 0.39 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.68 3iod h LEU 29 N 0.36 0.00 -0.90 3.80 3.38 -1.20 -2.54 115.31 118.21 3iod h LEU 29 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iod h LEU 29 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3iod h LEU 29 CO 0.01 0.11 0.00 0.35 0.09 0.00 0.00 178.44 179.00 3iod n THR 30 N -3.39 0.17 -0.88 0.22 -2.24 -0.56 -4.91 114.28 102.68 3iod n THR 30 Ca -0.01 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3iod n THR 30 Cb 0.29 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3iod n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iod n GLY 31 N 1.06 1.16 3.95 3.38 0.00 -0.96 -5.09 105.19 108.70 3iod n GLY 31 Ca 0.16 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3iod n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iod s ARG 32 N -2.21 3.45 -0.21 1.61 1.81 -1.07 -4.91 118.95 117.42 3iod s ARG 32 Ca 0.00 -0.63 -0.04 0.00 -1.72 0.00 0.00 55.73 53.34 3iod s ARG 32 Cb 0.00 -2.93 -0.01 0.00 -0.45 0.00 0.00 34.95 31.56 3iod s ARG 32 CO 0.00 0.47 -0.05 1.03 -0.68 0.00 0.00 175.30 176.08 3iod s ARG 33 N -3.51 3.42 -0.14 3.54 1.81 -0.42 -4.35 118.95 119.29 3iod s ARG 33 Ca 0.35 -0.61 -0.25 0.00 -1.72 0.00 0.00 55.73 53.49 3iod s ARG 33 Cb -0.10 -2.98 -0.02 0.00 -0.45 0.00 0.00 34.95 31.40 3iod s ARG 33 CO 0.29 -0.12 0.83 0.08 -0.68 0.00 0.00 175.30 175.70 3iod s VAL 34 N 1.27 4.91 -0.13 3.52 1.01 -1.26 -0.98 120.40 128.74 3iod s VAL 34 Ca 0.03 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.66 3iod s VAL 34 Cb -0.14 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 3iod s VAL 34 CO -0.02 0.07 -0.14 -0.04 0.00 0.00 0.00 175.10 174.98 3iod s MET 35 N 1.83 3.34 -0.15 2.72 -1.94 -0.02 0.09 119.30 125.17 3iod s MET 35 Ca 0.39 -0.70 -0.03 0.00 -1.71 0.00 0.00 55.69 53.64 3iod s MET 35 Cb -0.17 -2.60 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 3iod s MET 35 CO 0.15 0.22 -0.05 -1.17 -0.01 0.00 0.00 175.02 174.15 3iod s LEU 36 N 0.33 3.16 -0.43 -0.03 2.96 -0.17 -0.09 118.68 124.41 3iod s LEU 36 Ca -0.11 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3iod s LEU 36 Cb -0.16 -1.75 0.12 0.00 0.50 0.00 0.00 46.19 44.89 3iod s LEU 36 CO 0.06 0.17 0.17 -0.69 -1.32 0.00 0.00 176.35 174.74 3iod s VAL 37 N 0.37 2.09 0.14 1.68 1.01 0.17 -1.25 120.40 124.61 3iod s VAL 37 Ca -0.05 -2.67 -0.31 0.00 0.00 0.00 0.00 61.98 58.95 3iod s VAL 37 Cb -0.14 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.66 3iod s VAL 37 CO 0.03 -0.74 1.35 -2.84 0.00 0.00 0.00 175.10 172.91 3iod s PRO 38 N 0.41 4.35 0.19 2.72 0.02 -1.26 -1.90 135.00 139.52 3iod s PRO 38 Ca 0.14 2.06 -0.02 0.00 0.02 0.00 0.00 61.00 63.20 3iod s PRO 38 Cb -0.23 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 3iod s PRO 38 CO -0.05 -0.36 0.15 0.95 -0.33 0.00 0.00 177.00 177.36 3iod s THR 39 N 0.73 0.02 -0.23 0.99 -4.23 -0.25 -4.90 115.64 107.76 3iod s THR 39 Ca 0.61 -1.91 0.13 0.00 -1.18 0.00 0.00 61.69 59.34 3iod s THR 39 Cb -0.36 -2.38 0.49 0.00 1.34 0.00 0.00 72.50 71.59 3iod s THR 39 CO 0.33 -0.09 1.40 0.23 -0.54 0.00 0.00 174.62 175.96 3iod n MET 40 N -0.25 2.17 0.00 3.99 2.81 -1.26 -1.82 117.12 122.75 3iod n MET 40 Ca 0.00 -2.99 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 3iod n MET 40 Cb 0.65 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 3iod n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iod n GLY 41 N -0.94 -0.33 3.87 3.03 0.00 -1.26 -4.70 105.19 104.87 3iod n GLY 41 Ca 0.26 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3iod n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iod n ALA 42 N 1.93 -2.39 -1.92 4.61 0.00 -1.26 -4.86 120.51 116.61 3iod n ALA 42 Ca 0.00 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.70 3iod n ALA 42 Cb 0.00 -2.95 -0.03 0.00 0.00 0.00 0.00 19.45 16.47 3iod n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iod s LEU 43 N -6.86 4.47 0.00 0.00 1.43 -1.26 -4.91 118.68 111.54 3iod s LEU 43 Ca 0.33 2.35 0.02 0.00 -1.03 0.00 0.00 54.13 55.79 3iod s LEU 43 Cb -0.14 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 3iod s LEU 43 CO 0.90 -0.37 0.06 0.00 0.23 0.00 0.00 176.35 177.17 3iod n HIS 44 N 1.93 0.16 0.27 0.29 1.44 -1.26 -5.01 115.22 113.03 3iod n HIS 44 Ca 0.03 -1.30 0.12 0.00 -2.01 0.00 0.00 57.72 54.55 3iod n HIS 44 Cb 0.44 -0.03 0.78 0.00 0.12 0.00 0.00 29.99 31.30 3iod n HIS 44 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3iod h GLU 45 N 0.00 0.00 -0.39 -1.40 4.39 -1.98 0.68 114.58 115.88 3iod h GLU 45 Ca -0.17 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3iod h GLU 45 Cb 0.61 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3iod h GLU 45 CO 0.27 0.00 0.22 0.78 -1.16 0.00 0.00 179.01 179.12 3iod h GLY 46 N 0.00 0.58 1.67 -3.84 0.00 -1.92 -0.59 103.07 98.97 3iod h GLY 46 Ca 0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 3iod h GLY 46 CO -0.00 0.25 -0.36 0.45 0.00 0.00 0.00 176.54 176.88 3iod h HIS 47 N 0.50 0.43 -0.18 5.60 3.86 -1.30 -2.55 115.15 121.51 3iod h HIS 47 Ca 0.14 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 3iod h HIS 47 Cb 0.04 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3iod h HIS 47 CO -0.03 0.69 -0.21 -0.07 0.86 0.00 0.00 177.93 179.17 3iod h LEU 48 N 0.32 0.31 -1.43 2.43 3.38 -0.86 -1.45 115.31 118.01 3iod h LEU 48 Ca 0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3iod h LEU 48 Cb 0.78 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3iod h LEU 48 CO 0.06 0.53 -0.04 0.00 0.09 0.00 0.00 178.44 179.08 3iod h ALA 49 N 1.50 1.53 -0.25 1.53 0.00 -0.69 0.18 119.26 123.06 3iod h ALA 49 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3iod h ALA 49 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3iod h ALA 49 CO 0.04 0.34 -0.05 -0.07 0.00 0.00 0.00 179.25 179.50 3iod h LEU 50 N 0.31 0.47 -0.49 0.00 3.38 -1.19 -2.08 115.31 115.71 3iod h LEU 50 Ca 0.07 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3iod h LEU 50 Cb 0.29 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3iod h LEU 50 CO 0.01 0.72 0.30 0.58 0.09 0.00 0.00 178.44 180.14 3iod h VAL 51 N 0.22 1.08 -0.33 1.22 2.07 -0.71 -1.91 116.25 117.89 3iod h VAL 51 Ca 0.06 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 3iod h VAL 51 Cb 0.50 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3iod h VAL 51 CO 0.02 0.11 -0.09 0.03 0.02 0.00 0.00 177.57 177.67 3iod h ARG 52 N 0.61 0.56 -0.55 1.57 3.08 -0.60 0.48 114.38 119.52 3iod h ARG 52 Ca 0.19 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3iod h ARG 52 Cb -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3iod h ARG 52 CO -0.07 0.65 0.06 0.00 -1.07 0.00 0.00 179.97 179.54 3iod h ALA 53 N 1.39 0.74 -0.55 0.04 0.00 -1.04 -2.59 119.26 117.25 3iod h ALA 53 Ca 0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3iod h ALA 53 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3iod h ALA 53 CO 0.03 0.50 0.01 0.00 0.00 0.00 0.00 179.25 179.79 3iod h ALA 54 N 0.98 0.74 -0.30 0.00 0.00 -0.83 -3.16 119.26 116.70 3iod h ALA 54 Ca 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3iod h ALA 54 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3iod h ALA 54 CO 0.02 0.56 0.03 0.87 0.00 0.00 0.00 179.25 180.73 3iod h LYS 55 N 0.85 0.44 0.00 0.00 1.57 -0.61 -2.91 116.57 115.91 3iod h LYS 55 Ca 0.16 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3iod h LYS 55 Cb 0.52 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3iod h LYS 55 CO 0.03 0.44 0.00 2.89 -0.57 0.00 0.00 179.45 182.24 3iod n ARG 56 N -4.33 0.36 -2.14 3.15 1.85 -1.00 -4.70 116.66 109.85 3iod n ARG 56 Ca 0.01 0.04 -0.42 0.00 -1.00 0.00 0.00 57.85 56.48 3iod n ARG 56 Cb 0.20 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.08 3iod n ARG 56 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3iod s VAL 57 N -2.58 3.67 0.17 8.89 1.01 -1.10 -4.94 120.40 125.52 3iod s VAL 57 Ca 0.25 0.94 -0.33 0.00 0.00 0.00 0.00 61.98 62.84 3iod s VAL 57 Cb 0.18 -3.61 -0.13 0.00 0.00 0.00 0.00 36.38 32.81 3iod s VAL 57 CO 0.40 -0.04 1.61 -2.65 0.00 0.00 0.00 175.10 174.42 3iod n PRO 58 N 6.24 2.29 -0.75 2.72 -0.02 -1.26 -1.33 135.00 142.89 3iod n PRO 58 Ca 0.15 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3iod n PRO 58 Cb 0.43 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3iod n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iod n GLY 59 N 3.54 0.77 3.75 -1.23 0.00 -1.26 -4.75 105.19 106.01 3iod n GLY 59 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3iod n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iod n SER 60 N 0.00 3.31 -4.24 1.61 3.41 -0.44 -1.30 113.62 115.97 3iod n SER 60 Ca 0.00 1.17 -0.32 0.00 -0.26 0.00 0.00 58.87 59.46 3iod n SER 60 Cb 0.00 -1.58 -0.17 0.00 -0.26 0.00 0.00 64.21 62.20 3iod n SER 60 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iod s VAL 61 N -1.16 2.08 -0.24 -3.33 0.11 -0.15 -4.78 120.40 112.94 3iod s VAL 61 Ca 0.58 -1.03 -0.10 0.00 -2.93 0.00 0.00 61.98 58.50 3iod s VAL 61 Cb -0.48 -1.78 -0.05 0.00 -1.53 0.00 0.00 36.38 32.54 3iod s VAL 61 CO 0.60 0.56 0.15 -0.69 -3.33 0.00 0.00 175.10 172.40 3iod s VAL 62 N 0.19 5.26 -0.24 2.04 1.01 -1.26 -0.84 120.40 126.55 3iod s VAL 62 Ca -0.14 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 3iod s VAL 62 Cb -0.17 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3iod s VAL 62 CO 0.07 0.35 -0.01 -0.69 0.00 0.00 0.00 175.10 174.82 3iod s VAL 63 N 1.07 3.46 -0.23 2.92 1.01 0.87 -2.02 120.40 127.49 3iod s VAL 63 Ca 0.07 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3iod s VAL 63 Cb -0.14 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3iod s VAL 63 CO 0.04 0.29 0.04 -0.69 0.00 0.00 0.00 175.10 174.79 3iod s VAL 64 N 1.46 4.19 0.11 2.92 1.01 0.02 -0.66 120.40 129.46 3iod s VAL 64 Ca 0.04 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 3iod s VAL 64 Cb -0.15 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 3iod s VAL 64 CO -0.02 0.38 0.42 -0.94 0.00 0.00 0.00 175.10 174.95 3iod s SER 65 N 1.29 6.62 -0.19 3.32 1.04 -0.80 -0.75 113.70 124.22 3iod s SER 65 Ca 0.04 0.78 -0.01 0.00 0.48 0.00 0.00 55.95 57.25 3iod s SER 65 Cb -0.15 -2.17 0.05 0.00 0.10 0.00 0.00 66.02 63.85 3iod s SER 65 CO 0.02 0.11 -0.03 -0.63 0.98 0.00 0.00 173.24 173.69 3iod s ILE 66 N -1.51 1.09 -0.26 -1.02 1.01 -0.02 -1.09 121.20 119.40 3iod s ILE 66 Ca 0.37 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 3iod s ILE 66 Cb -0.13 -1.37 0.08 0.00 0.01 0.00 0.00 42.46 41.04 3iod s ILE 66 CO 0.20 -0.01 0.66 0.12 0.00 0.00 0.00 174.94 175.90 3iod s PHE 67 N 1.62 -0.97 -0.31 3.97 5.36 -0.76 -4.12 117.98 122.76 3iod s PHE 67 Ca -0.02 2.00 -0.12 0.00 -0.96 0.00 0.00 56.93 57.83 3iod s PHE 67 Cb -0.17 0.54 -0.03 0.00 -0.34 0.00 0.00 43.02 43.03 3iod s PHE 67 CO -0.07 -0.49 0.23 0.08 -1.46 0.00 0.00 175.22 173.52 3iod s VAL 68 N 1.43 5.28 -0.02 3.12 1.01 -1.26 -4.29 120.40 125.68 3iod s VAL 68 Ca -0.09 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 3iod s VAL 68 Cb -0.05 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 3iod s VAL 68 CO -0.16 0.09 1.42 0.21 0.00 0.00 0.00 175.10 176.66 3iod s ASN 69 N 1.74 6.83 -1.37 3.32 2.47 -1.26 -4.92 114.94 121.74 3iod s ASN 69 Ca 0.07 2.09 -0.13 0.00 0.42 0.00 0.00 52.86 55.31 3iod s ASN 69 Cb -0.17 -2.55 0.09 0.00 -1.45 0.00 0.00 41.25 37.16 3iod s ASN 69 CO 0.11 -0.75 2.01 -0.81 -3.72 0.00 0.00 177.10 173.94 3iod n PRO 70 N 5.71 3.14 0.00 0.43 -0.04 -1.26 -5.13 135.00 137.85 3iod n PRO 70 Ca 0.14 -3.03 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 3iod n PRO 70 Cb 0.44 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 3iod n PRO 70 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3iod n PRO 86 N 5.81 0.00 -0.13 0.54 -0.01 -1.26 -5.16 135.00 134.79 3iod n PRO 86 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.96 3iod n PRO 86 Cb 0.40 0.00 0.27 0.00 -0.01 0.00 0.00 33.50 34.15 3iod n PRO 86 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 3iod h ASP 87 N 0.00 0.72 -0.48 2.55 3.32 -2.05 -0.89 116.42 119.60 3iod h ASP 87 Ca 0.00 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3iod h ASP 87 Cb 0.00 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3iod h ASP 87 CO 0.00 0.61 0.19 -0.78 -1.72 0.00 0.00 179.24 177.54 3iod h ASP 88 N 0.81 0.66 -0.38 6.45 3.58 -2.04 -0.19 116.42 125.31 3iod h ASP 88 Ca 0.20 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3iod h ASP 88 Cb 0.07 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3iod h ASP 88 CO -0.03 0.65 0.22 0.44 -2.88 0.00 0.00 179.24 177.64 3iod h ASP 89 N 0.63 0.47 -0.74 2.28 3.32 -1.83 -1.66 116.42 118.89 3iod h ASP 89 Ca 0.16 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3iod h ASP 89 Cb 0.20 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3iod h ASP 89 CO -0.01 0.41 0.31 -0.07 -1.72 0.00 0.00 179.24 178.16 3iod h LEU 90 N 0.49 1.01 -0.82 1.55 3.38 -1.05 -1.53 115.31 118.33 3iod h LEU 90 Ca 0.13 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3iod h LEU 90 Cb 0.04 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3iod h LEU 90 CO -0.02 0.89 0.52 0.00 0.09 0.00 0.00 178.44 179.91 3iod h ALA 91 N 1.15 1.10 -0.65 1.53 0.00 -0.80 -0.12 119.26 121.48 3iod h ALA 91 Ca 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3iod h ALA 91 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3iod h ALA 91 CO -0.02 0.30 0.19 1.96 0.00 0.00 0.00 179.25 181.68 3iod h GLN 92 N 0.98 1.03 -0.42 0.00 4.20 -0.75 -1.31 115.11 118.83 3iod h GLN 92 Ca 0.34 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 3iod h GLN 92 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3iod h GLN 92 CO -0.14 0.91 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.85 3iod h LEU 93 N 0.96 0.73 -0.50 1.46 3.38 -0.93 -1.59 115.31 118.82 3iod h LEU 93 Ca 0.21 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.95 3iod h LEU 93 Cb 0.32 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 3iod h LEU 93 CO -0.00 0.86 0.13 -0.09 0.09 0.00 0.00 178.44 179.42 3iod h ARG 94 N 0.57 0.26 0.00 1.13 2.43 -0.88 -0.67 114.38 117.23 3iod h ARG 94 Ca 0.12 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3iod h ARG 94 Cb 0.49 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3iod h ARG 94 CO 0.02 0.17 -0.18 0.00 -1.51 0.00 0.00 179.97 178.48 3iod h ALA 95 N 1.37 1.27 -0.00 2.80 0.00 -0.96 -1.40 119.26 122.34 3iod h ALA 95 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iod h ALA 95 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3iod h ALA 95 CO -0.30 0.23 -0.16 0.39 0.00 0.00 0.00 179.25 179.40 3iod n GLU 96 N -3.70 0.53 -1.46 0.00 -0.58 -0.34 -4.93 120.64 110.17 3iod n GLU 96 Ca -0.01 -0.20 -0.02 0.00 -0.42 0.00 0.00 57.16 56.50 3iod n GLU 96 Cb 0.30 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.67 3iod n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iod n GLY 97 N 1.34 0.43 3.73 0.62 0.00 -0.53 -5.01 105.19 105.76 3iod n GLY 97 Ca 0.12 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 3iod n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iod s VAL 98 N -2.08 3.90 -0.27 1.61 1.01 -0.81 -4.94 120.40 118.82 3iod s VAL 98 Ca 0.00 1.54 0.22 0.00 0.00 0.00 0.00 61.98 63.74 3iod s VAL 98 Cb 0.00 -3.99 -0.20 0.00 0.00 0.00 0.00 36.38 32.20 3iod s VAL 98 CO 0.00 0.22 0.77 -0.62 0.00 0.00 0.00 175.10 175.47 3iod n GLU 99 N 2.86 0.52 -3.92 2.72 1.02 -1.24 -3.84 120.64 118.76 3iod n GLU 99 Ca 0.05 -0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.90 3iod n GLU 99 Cb 0.46 -1.61 -0.17 0.00 -0.02 0.00 0.00 31.44 30.10 3iod n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3iod s ILE 100 N -3.38 0.52 -0.09 -3.67 1.01 -0.86 -0.29 121.20 114.45 3iod s ILE 100 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 3iod s ILE 100 Cb 0.13 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 3iod s ILE 100 CO 0.85 0.26 -0.08 0.00 0.00 0.00 0.00 174.94 175.98 3iod s ALA 101 N 1.58 2.91 -0.25 9.38 0.00 -0.44 -0.80 121.76 134.15 3iod s ALA 101 Ca -0.00 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3iod s ALA 101 Cb -0.13 -1.28 0.04 0.00 0.00 0.00 0.00 23.12 21.76 3iod s ALA 101 CO -0.04 0.45 -0.10 0.12 0.00 0.00 0.00 175.76 176.18 3iod s PHE 102 N -0.38 3.13 -0.59 0.00 5.36 0.07 -1.26 117.98 124.31 3iod s PHE 102 Ca 0.05 -1.97 0.06 0.00 -0.96 0.00 0.00 56.93 54.12 3iod s PHE 102 Cb -0.12 -1.98 0.25 0.00 -0.34 0.00 0.00 43.02 40.83 3iod s PHE 102 CO 0.02 -0.82 0.72 0.25 -1.46 0.00 0.00 175.22 173.92 3iod n THR 103 N 4.54 1.82 -1.86 0.12 -2.24 0.34 -0.84 114.28 116.17 3iod n THR 103 Ca -0.16 -5.01 -0.32 0.00 -2.27 0.00 0.00 64.05 56.29 3iod n THR 103 Cb 0.45 -2.03 0.02 0.00 -2.10 0.00 0.00 70.33 66.67 3iod n THR 103 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iod s PRO 104 N -2.29 3.21 0.65 -0.78 0.04 -1.25 -4.52 135.00 130.06 3iod s PRO 104 Ca 0.39 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 3iod s PRO 104 Cb 0.16 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 3iod s PRO 104 CO -0.03 -0.89 1.05 0.95 0.04 0.00 0.00 177.00 178.12 3iod s THR 105 N -2.74 4.21 0.31 1.26 -4.23 -1.26 -4.89 115.64 108.30 3iod s THR 105 Ca 0.61 0.70 0.02 0.00 -1.18 0.00 0.00 61.69 61.84 3iod s THR 105 Cb -0.15 -3.71 0.29 0.00 1.34 0.00 0.00 72.50 70.27 3iod s THR 105 CO 0.45 -0.93 1.91 0.74 -0.54 0.00 0.00 174.62 176.25 3iod h THR 106 N -0.45 1.04 -0.10 3.99 2.02 -1.97 -1.82 112.91 115.62 3iod h THR 106 Ca -0.44 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.30 3iod h THR 106 Cb 1.22 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3iod h THR 106 CO 0.63 0.17 -0.43 0.00 0.37 0.00 0.00 175.52 176.26 3iod h ALA 107 N 1.53 1.08 -0.17 6.16 0.00 -1.94 0.21 119.26 126.13 3iod h ALA 107 Ca 0.38 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3iod h ALA 107 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iod h ALA 107 CO -0.15 0.60 -0.63 0.00 0.00 0.00 0.00 179.25 179.07 3iod h ALA 108 N 1.36 0.56 0.05 0.00 0.00 -1.82 -2.08 119.26 117.32 3iod h ALA 108 Ca 0.02 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.14 3iod h ALA 108 Cb 0.85 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3iod h ALA 108 CO 0.07 0.70 -1.04 0.52 0.00 0.00 0.00 179.25 179.50 3iod h MET 109 N 0.46 0.28 -1.97 0.00 2.86 -1.07 -3.38 114.93 112.10 3iod h MET 109 Ca -0.01 -0.36 -0.54 0.00 -2.06 0.00 0.00 59.70 56.72 3iod h MET 109 Cb 1.21 0.12 -0.41 0.00 0.06 0.00 0.00 31.60 32.58 3iod h MET 109 CO 0.12 1.10 -0.84 0.66 1.06 0.00 0.00 176.91 179.02 3iod n TYR 110 N -3.62 2.78 0.32 -0.22 4.01 0.72 -4.91 117.16 116.24 3iod n TYR 110 Ca -0.06 -3.70 0.20 0.00 -0.16 0.00 0.00 57.90 54.19 3iod n TYR 110 Cb 0.90 -0.39 1.10 0.00 -0.31 0.00 0.00 39.34 40.64 3iod n TYR 110 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3iod h PRO 111 N 2.92 0.00 -0.19 -0.72 0.13 -1.56 -0.36 132.00 132.22 3iod h PRO 111 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3iod h PRO 111 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3iod h PRO 111 CO 0.72 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.25 3iod n ASP 112 N -3.27 3.29 0.00 1.44 8.00 -1.26 -5.08 116.55 119.68 3iod n ASP 112 Ca -0.03 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.58 3iod n ASP 112 Cb 0.10 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 3iod n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iod n GLY 113 N -0.66 -0.16 3.56 0.44 0.00 -0.15 -4.52 105.19 103.70 3iod n GLY 113 Ca 0.18 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 3iod n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iod s LEU 114 N 0.00 4.24 0.00 0.99 1.43 -1.26 -4.85 118.68 119.22 3iod s LEU 114 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3iod s LEU 114 Cb 0.00 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.29 3iod s LEU 114 CO 0.00 -0.79 0.00 -1.14 0.23 0.00 0.00 176.35 174.65 3iod n ARG 115 N 6.46 0.00 -2.36 1.70 0.63 -1.26 -5.03 116.66 116.80 3iod n ARG 115 Ca 0.02 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.53 3iod n ARG 115 Cb 0.48 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.36 3iod n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3iod s THR 116 N 0.23 3.70 0.22 5.15 2.01 -1.26 -5.03 115.64 120.67 3iod s THR 116 Ca 0.00 1.31 -0.00 0.00 0.31 0.00 0.00 61.69 63.31 3iod s THR 116 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3iod s THR 116 CO 0.00 0.15 0.12 0.42 -0.69 0.00 0.00 174.62 174.62 3iod s THR 117 N 0.57 0.18 -0.10 -0.82 -4.23 -1.26 -5.11 115.64 104.87 3iod s THR 117 Ca 0.57 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 3iod s THR 117 Cb -0.32 -2.54 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 3iod s THR 117 CO 0.33 0.00 0.36 -0.69 -0.54 0.00 0.00 174.62 174.08 3iod s VAL 118 N -4.01 5.21 -0.40 2.29 1.01 -1.26 -5.04 120.40 118.19 3iod s VAL 118 Ca 0.39 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 3iod s VAL 118 Cb 0.07 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.82 3iod s VAL 118 CO 0.13 0.45 0.24 -1.58 0.00 0.00 0.00 175.10 174.35 3iod s GLN 119 N -0.11 2.75 0.91 2.72 2.00 -1.26 -4.65 119.66 122.01 3iod s GLN 119 Ca 0.21 -1.25 -0.11 0.00 -2.00 0.00 0.00 55.36 52.21 3iod s GLN 119 Cb -0.15 -3.79 0.14 0.00 0.80 0.00 0.00 33.01 30.02 3iod s GLN 119 CO 0.08 -0.83 1.11 -2.14 -0.50 0.00 0.00 175.29 173.01 3iod s PRO 120 N 1.51 1.14 1.31 1.67 0.02 -1.26 -5.05 135.00 134.34 3iod s PRO 120 Ca 0.02 1.24 -0.22 0.00 0.02 0.00 0.00 61.00 62.06 3iod s PRO 120 Cb -0.21 -1.76 0.33 0.00 0.02 0.00 0.00 34.50 32.87 3iod s PRO 120 CO 0.05 -2.44 1.05 0.20 -0.33 0.00 0.00 177.00 175.53 3iod s GLY 121 N -2.97 1.53 0.64 0.52 0.00 -1.26 -4.87 107.32 100.91 3iod s GLY 121 Ca 0.65 -1.01 0.42 0.00 0.00 0.00 0.00 44.72 44.79 3iod s GLY 121 CO 0.58 -0.03 2.29 -0.56 0.00 0.00 0.00 173.10 175.38 3iod h PRO 122 N -2.97 0.00 -0.03 2.90 0.13 -2.03 -1.67 132.00 128.33 3iod h PRO 122 Ca -0.42 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.72 3iod h PRO 122 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 3iod h PRO 122 CO 0.28 0.00 0.03 1.25 -0.23 0.00 0.00 178.00 179.33 3iod h LEU 123 N 0.00 0.00 -1.40 1.56 5.85 -1.96 -1.86 115.31 117.50 3iod h LEU 123 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3iod h LEU 123 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3iod h LEU 123 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 3iod h ALA 124 N 1.97 1.00 0.00 1.25 0.00 -1.64 -2.15 119.26 119.70 3iod h ALA 124 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iod h ALA 124 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iod h ALA 124 CO -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 179.25 178.72 3iod n ALA 125 N -1.91 3.50 -2.46 0.00 0.00 -0.70 -3.89 120.51 115.05 3iod n ALA 125 Ca 0.00 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 3iod n ALA 125 Cb 0.19 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3iod n ALA 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3iod s GLU 126 N -3.02 3.24 4.60 0.00 2.02 -0.81 -3.19 118.70 121.54 3iod s GLU 126 Ca 0.10 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.64 3iod s GLU 126 Cb 0.17 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.79 3iod s GLU 126 CO 0.71 -0.08 0.00 1.28 0.02 0.00 0.00 175.26 177.18 3iod n LEU 127 N -1.94 0.00 0.27 1.80 4.77 -1.26 -0.16 117.00 120.48 3iod n LEU 127 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 3iod n LEU 127 Cb 0.57 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.43 3iod n LEU 127 CO 0.48 0.00 1.03 -0.33 -1.33 0.00 0.00 177.39 177.24 3iod h GLU 128 N 0.00 0.00 0.00 3.23 4.39 -1.91 -2.09 114.58 118.20 3iod h GLU 128 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3iod h GLU 128 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3iod h GLU 128 CO 0.00 0.07 0.00 0.41 -1.16 0.00 0.00 179.01 178.33 3iod n GLY 129 N -1.01 -1.21 0.00 -3.84 0.00 0.77 -2.81 105.19 97.08 3iod n GLY 129 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3iod n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iod n GLY 130 N 0.73 -2.48 0.23 -0.02 0.00 -0.78 -2.26 105.19 100.60 3iod n GLY 130 Ca 0.06 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.18 3iod n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iod h PRO 131 N 0.00 0.00 -2.52 1.61 0.13 -1.77 -3.38 132.00 126.07 3iod h PRO 131 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 3iod h PRO 131 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 3iod h PRO 131 CO 0.00 0.20 -0.77 0.54 -0.23 0.00 0.00 178.00 177.75 3iod n ARG 132 N -4.11 1.40 0.30 0.86 1.74 -1.12 -4.99 116.66 110.74 3iod n ARG 132 Ca -0.02 -4.00 0.20 0.00 -0.77 0.00 0.00 57.85 53.27 3iod n ARG 132 Cb 0.27 -1.95 1.07 0.00 -1.02 0.00 0.00 32.46 30.83 3iod n ARG 132 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3iod h PRO 133 N 4.94 0.00 -0.17 5.56 0.13 -1.64 -2.20 132.00 138.63 3iod h PRO 133 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3iod h PRO 133 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3iod h PRO 133 CO 0.62 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.64 3iod n THR 134 N -2.93 0.53 0.03 1.56 -2.24 -1.26 -4.71 114.28 105.25 3iod n THR 134 Ca -0.02 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 60.87 3iod n THR 134 Cb 0.09 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.08 3iod n THR 134 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3iod h HIS 135 N 1.89 0.01 0.00 4.78 6.17 -1.74 -2.66 115.15 123.61 3iod h HIS 135 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 60.37 60.99 3iod h HIS 135 Cb 0.57 -0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 3iod h HIS 135 CO 0.11 0.04 -0.45 0.74 0.71 0.00 0.00 177.93 179.08 3iod h PHE 136 N -0.01 0.00 -0.80 5.26 0.04 -1.84 -1.93 116.94 117.66 3iod h PHE 136 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.80 3iod h PHE 136 Cb 0.03 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.13 3iod h PHE 136 CO -0.07 0.45 0.51 0.00 -0.60 0.00 0.00 178.31 178.60 3iod h ALA 137 N 1.55 1.04 -0.19 2.45 0.00 -1.77 0.76 119.26 123.10 3iod h ALA 137 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iod h ALA 137 Cb 1.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3iod h ALA 137 CO 0.06 0.35 0.12 0.78 0.00 0.00 0.00 179.25 180.56 3iod h GLY 138 N 1.02 0.27 0.86 0.00 0.00 -1.03 -1.14 103.07 103.04 3iod h GLY 138 Ca 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3iod h GLY 138 CO -0.10 0.11 -0.03 -2.08 0.00 0.00 0.00 176.54 174.44 3iod h VAL 139 N 0.23 1.05 -0.63 4.60 2.07 -1.12 -1.62 116.25 120.83 3iod h VAL 139 Ca 0.07 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3iod h VAL 139 Cb 0.01 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3iod h VAL 139 CO -0.01 0.08 0.31 -0.07 0.02 0.00 0.00 177.57 177.90 3iod h LEU 140 N -0.22 0.80 -0.17 2.57 3.38 -0.82 0.40 115.31 121.25 3iod h LEU 140 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iod h LEU 140 Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3iod h LEU 140 CO 0.01 0.67 0.08 0.74 0.09 0.00 0.00 178.44 180.04 3iod h THR 141 N 0.89 1.13 -0.19 0.22 2.02 -1.08 0.76 112.91 116.65 3iod h THR 141 Ca 0.22 -0.36 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 3iod h THR 141 Cb 0.08 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3iod h THR 141 CO -0.03 0.12 -0.55 1.62 0.37 0.00 0.00 175.52 177.05 3iod h VAL 142 N 0.15 1.32 -0.57 3.16 3.04 -1.00 -2.12 116.25 120.24 3iod h VAL 142 Ca 0.06 -1.79 -0.04 0.00 -1.01 0.00 0.00 66.70 63.92 3iod h VAL 142 Cb 0.12 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 3iod h VAL 142 CO -0.01 0.56 0.19 0.58 -1.01 0.00 0.00 177.57 177.88 3iod h VAL 143 N 0.44 1.24 -0.48 1.51 2.07 -0.86 -0.65 116.25 119.52 3iod h VAL 143 Ca 0.01 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3iod h VAL 143 Cb 1.09 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3iod h VAL 143 CO 0.10 0.30 0.30 0.25 0.02 0.00 0.00 177.57 178.54 3iod h LEU 144 N 0.79 0.49 -0.36 2.57 5.85 -0.67 -0.19 115.31 123.79 3iod h LEU 144 Ca 0.18 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3iod h LEU 144 Cb 0.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3iod h LEU 144 CO -0.01 0.35 0.19 0.11 -0.34 0.00 0.00 178.44 178.75 3iod h LYS 145 N 0.60 0.38 -0.77 1.25 1.57 -1.04 -1.42 116.57 117.13 3iod h LYS 145 Ca 0.19 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3iod h LYS 145 Cb -0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3iod h LYS 145 CO -0.07 0.25 0.29 -0.07 -0.57 0.00 0.00 179.45 179.28 3iod h LEU 146 N 0.39 1.08 -1.17 2.94 3.38 -0.80 0.70 115.31 121.83 3iod h LEU 146 Ca 0.15 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3iod h LEU 146 Cb 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3iod h LEU 146 CO -0.09 0.97 0.56 -0.07 0.09 0.00 0.00 178.44 179.90 3iod h LEU 147 N 1.13 0.96 -0.01 1.67 3.38 -0.68 -0.89 115.31 120.86 3iod h LEU 147 Ca 0.25 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.96 3iod h LEU 147 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3iod h LEU 147 CO -0.02 0.69 -1.09 1.56 0.09 0.00 0.00 178.44 179.67 3iod h GLN 148 N 1.13 0.21 -0.06 1.13 1.08 -0.40 0.15 115.11 118.35 3iod h GLN 148 Ca 0.32 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 3iod h GLN 148 Cb -0.10 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3iod h GLN 148 CO -0.07 1.11 -0.01 0.82 -0.95 0.00 0.00 178.83 179.72 3iod h ILE 149 N 0.08 1.28 0.00 2.54 2.04 -0.75 -3.35 117.51 119.35 3iod h ILE 149 Ca -0.08 -0.89 -0.21 0.00 1.00 0.00 0.00 64.86 64.68 3iod h ILE 149 Cb 1.80 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 39.60 3iod h ILE 149 CO 0.17 0.24 -1.65 0.52 0.00 0.00 0.00 178.15 177.43 3iod n VAL 150 N -4.84 1.23 -3.95 1.67 0.31 -0.35 -3.93 118.33 108.46 3iod n VAL 150 Ca -0.07 -0.73 -0.42 0.00 -0.01 0.00 0.00 64.34 63.11 3iod n VAL 150 Cb 0.21 -0.72 0.03 0.00 -0.91 0.00 0.00 33.84 32.46 3iod n VAL 150 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3iod n ARG 151 N -2.86 -0.55 -2.00 5.55 1.74 0.51 -4.76 116.66 114.30 3iod n ARG 151 Ca -0.14 0.20 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 3iod n ARG 151 Cb 0.91 -3.01 0.01 0.00 -1.02 0.00 0.00 32.46 29.36 3iod n ARG 151 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iod s PRO 152 N -6.96 3.37 0.19 5.56 0.04 -1.26 -4.88 135.00 131.06 3iod s PRO 152 Ca 0.49 1.07 -0.04 0.00 0.04 0.00 0.00 61.00 62.56 3iod s PRO 152 Cb -0.24 -2.05 0.10 0.00 0.04 0.00 0.00 34.50 32.36 3iod s PRO 152 CO 0.94 -0.76 1.51 -0.44 0.04 0.00 0.00 177.00 178.29 3iod h ASP 153 N 0.22 0.66 -5.00 6.66 3.32 -0.67 -3.43 116.42 118.18 3iod h ASP 153 Ca -0.46 -0.34 -0.16 0.00 0.02 0.00 0.00 57.03 56.09 3iod h ASP 153 Cb 1.21 -0.19 -0.20 0.00 0.22 0.00 0.00 39.33 40.37 3iod h ASP 153 CO 0.58 1.06 -0.61 -0.13 -1.72 0.00 0.00 179.24 178.42 3iod s ARG 154 N -4.05 0.40 -0.03 3.56 0.52 -1.18 -1.64 118.95 116.54 3iod s ARG 154 Ca -0.08 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 54.59 3iod s ARG 154 Cb 0.11 0.15 -0.00 0.00 0.52 0.00 0.00 34.95 35.74 3iod s ARG 154 CO 0.84 -0.08 -0.12 0.54 0.02 0.00 0.00 175.30 176.50 3iod s VAL 155 N -1.63 1.01 -0.15 3.52 0.11 0.38 -1.00 120.40 122.65 3iod s VAL 155 Ca -0.14 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.41 3iod s VAL 155 Cb -0.08 -0.88 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 3iod s VAL 155 CO -0.01 0.30 -0.12 -0.36 -3.33 0.00 0.00 175.10 171.59 3iod s PHE 156 N 0.05 2.84 0.04 1.54 0.40 -0.38 -0.46 117.98 122.00 3iod s PHE 156 Ca -0.02 -0.72 0.03 0.00 -0.60 0.00 0.00 56.93 55.63 3iod s PHE 156 Cb -0.09 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 3iod s PHE 156 CO 0.01 -0.28 -0.09 -0.06 0.70 0.00 0.00 175.22 175.50 3iod s PHE 157 N 0.56 0.80 0.36 0.36 0.08 -0.42 -4.25 117.98 115.47 3iod s PHE 157 Ca -0.07 -0.39 -0.25 0.00 0.12 0.00 0.00 56.93 56.34 3iod s PHE 157 Cb -0.15 -0.48 -0.10 0.00 -0.57 0.00 0.00 43.02 41.72 3iod s PHE 157 CO 0.03 -0.03 0.96 0.20 -0.10 0.00 0.00 175.22 176.28 3iod s GLY 158 N -1.23 2.69 0.42 4.36 0.00 -1.26 -0.71 107.32 111.60 3iod s GLY 158 Ca -0.05 0.51 0.29 0.00 0.00 0.00 0.00 44.72 45.48 3iod s GLY 158 CO 0.01 0.91 1.89 0.83 0.00 0.00 0.00 173.10 176.74 3iod h GLU 159 N 2.79 0.00 -0.94 2.90 5.08 -1.02 -3.10 114.58 120.30 3iod h GLU 159 Ca -0.47 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 57.96 3iod h GLU 159 Cb 1.19 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 3iod h GLU 159 CO 0.64 0.00 0.61 -0.22 -1.00 0.00 0.00 179.01 179.04 3iod h LYS 160 N 0.00 1.02 -3.17 2.33 3.64 -1.91 -2.08 116.57 116.40 3iod h LYS 160 Ca 0.00 -0.06 -0.81 0.00 -1.27 0.00 0.00 60.65 58.51 3iod h LYS 160 Cb 0.27 -0.23 -0.28 0.00 -0.41 0.00 0.00 32.23 31.58 3iod h LYS 160 CO 0.00 0.68 0.66 -0.25 -2.27 0.00 0.00 179.45 178.27 3iod n ASP 161 N -4.51 6.08 -0.16 4.20 8.00 -1.17 -4.69 116.55 124.30 3iod n ASP 161 Ca 0.15 -3.27 -0.09 0.00 0.71 0.00 0.00 54.79 52.29 3iod n ASP 161 Cb 0.22 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 3iod n ASP 161 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3iod h TYR 162 N 5.91 0.77 -0.72 1.24 3.20 -1.60 -1.17 116.97 124.60 3iod h TYR 162 Ca 0.19 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3iod h TYR 162 Cb 0.71 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 3iod h TYR 162 CO 0.91 0.70 0.43 0.37 -1.64 0.00 0.00 178.16 178.93 3iod h GLN 163 N 0.62 0.98 -0.47 1.82 4.15 -1.88 0.44 115.11 120.76 3iod h GLN 163 Ca 0.15 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.51 3iod h GLN 163 Cb 0.31 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 3iod h GLN 163 CO -0.00 0.70 0.23 0.37 -1.93 0.00 0.00 178.83 178.20 3iod h GLN 164 N 0.98 0.44 -0.15 1.69 4.15 -1.89 -0.05 115.11 120.27 3iod h GLN 164 Ca 0.26 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.66 3iod h GLN 164 Cb -0.02 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 3iod h GLN 164 CO -0.05 0.29 0.06 1.25 -1.93 0.00 0.00 178.83 178.45 3iod h LEU 165 N 0.45 0.07 -0.58 -2.39 5.85 -0.43 0.37 115.31 118.65 3iod h LEU 165 Ca 0.21 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3iod h LEU 165 Cb 0.13 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3iod h LEU 165 CO -0.15 0.07 0.35 0.58 -0.34 0.00 0.00 178.44 178.94 3iod h VAL 166 N 0.14 1.06 -0.65 1.05 2.07 -0.73 -0.69 116.25 118.49 3iod h VAL 166 Ca 0.06 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3iod h VAL 166 Cb 0.03 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3iod h VAL 166 CO -0.06 0.13 0.24 -0.07 0.02 0.00 0.00 177.57 177.83 3iod h LEU 167 N 0.69 0.88 -0.82 2.57 3.38 -0.61 -0.83 115.31 120.58 3iod h LEU 167 Ca 0.24 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3iod h LEU 167 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3iod h LEU 167 CO -0.11 0.80 0.01 0.40 0.09 0.00 0.00 178.44 179.64 3iod h ILE 168 N 0.94 1.25 -0.92 1.22 2.04 -0.46 0.68 117.51 122.27 3iod h ILE 168 Ca 0.22 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3iod h ILE 168 Cb 0.21 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3iod h ILE 168 CO -0.02 0.38 0.58 0.03 0.00 0.00 0.00 178.15 179.12 3iod h ARG 169 N 0.84 1.23 -0.36 2.37 3.08 -0.59 -0.76 114.38 120.18 3iod h ARG 169 Ca 0.16 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3iod h ARG 169 Cb 0.48 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3iod h ARG 169 CO 0.02 0.83 0.09 1.96 -1.07 0.00 0.00 179.97 181.80 3iod h GLN 170 N 1.25 0.57 -0.34 0.04 4.20 -0.63 -1.13 115.11 119.07 3iod h GLN 170 Ca 0.33 -0.14 0.07 0.00 0.06 0.00 0.00 58.65 58.98 3iod h GLN 170 Cb -0.10 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.53 3iod h GLN 170 CO -0.07 0.62 -0.16 1.25 -0.67 0.00 0.00 178.83 179.80 3iod h LEU 171 N 0.42 -0.55 -0.46 1.46 5.85 -0.49 0.26 115.31 121.80 3iod h LEU 171 Ca 0.11 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 3iod h LEU 171 Cb 0.30 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3iod h LEU 171 CO 0.00 -0.20 0.14 0.58 -0.34 0.00 0.00 178.44 178.62 3iod h VAL 172 N -0.10 1.23 -0.23 1.05 2.07 -1.04 -1.16 116.25 118.07 3iod h VAL 172 Ca 0.17 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3iod h VAL 172 Cb 0.37 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3iod h VAL 172 CO -0.41 0.28 -0.06 0.00 0.02 0.00 0.00 177.57 177.40 3iod h ALA 173 N 0.99 0.31 -0.14 1.67 0.00 -0.94 -0.64 119.26 120.51 3iod h ALA 173 Ca 0.15 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3iod h ALA 173 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3iod h ALA 173 CO -0.00 0.11 -0.38 -0.44 0.00 0.00 0.00 179.25 178.53 3iod h ASP 174 N 0.17 0.32 -0.65 0.00 3.32 -0.33 -2.71 116.42 116.54 3iod h ASP 174 Ca 0.06 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3iod h ASP 174 Cb 0.52 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3iod h ASP 174 CO 0.02 0.68 0.00 0.49 -1.72 0.00 0.00 179.24 178.71 3iod n PHE 175 N -4.05 0.96 -3.36 4.55 3.72 -0.45 -4.97 117.46 113.87 3iod n PHE 175 Ca -0.01 -0.52 -0.24 0.00 -0.05 0.00 0.00 57.45 56.62 3iod n PHE 175 Cb 0.47 -0.04 0.04 0.00 -0.94 0.00 0.00 39.48 39.01 3iod n PHE 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3iod n ASN 176 N 1.35 -5.77 -4.76 4.37 4.13 -0.93 -4.93 115.26 108.71 3iod n ASN 176 Ca 0.22 -0.44 -0.40 0.00 1.68 0.00 0.00 54.58 55.65 3iod n ASN 176 Cb 0.63 -4.62 -0.04 0.00 -1.54 0.00 0.00 39.78 34.21 3iod n ASN 176 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3iod s LEU 177 N -6.94 4.49 -1.15 3.41 1.43 -0.29 -4.95 118.68 114.68 3iod s LEU 177 Ca 0.45 2.21 -0.06 0.00 -1.03 0.00 0.00 54.13 55.71 3iod s LEU 177 Cb -0.21 -3.72 0.26 0.00 0.03 0.00 0.00 46.19 42.56 3iod s LEU 177 CO 0.56 -0.18 1.62 -0.67 0.23 0.00 0.00 176.35 177.91 3iod n ASP 178 N 1.00 6.00 -3.80 2.29 2.03 -1.26 -4.86 116.55 117.96 3iod n ASP 178 Ca -0.00 -3.32 -0.12 0.00 0.52 0.00 0.00 54.79 51.86 3iod n ASP 178 Cb 0.46 -1.34 -0.10 0.00 -0.72 0.00 0.00 41.12 39.42 3iod n ASP 178 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3iod s VAL 179 N -1.77 0.04 -0.10 5.18 0.11 -1.26 -4.84 120.40 117.76 3iod s VAL 179 Ca 0.34 -0.37 -0.17 0.00 -2.93 0.00 0.00 61.98 58.85 3iod s VAL 179 Cb 0.07 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 3iod s VAL 179 CO 0.07 -0.20 0.44 0.00 -3.33 0.00 0.00 175.10 172.09 3iod s ALA 180 N -0.83 3.52 -0.23 1.54 0.00 -0.65 -4.97 121.76 120.15 3iod s ALA 180 Ca -0.09 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 3iod s ALA 180 Cb -0.05 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 3iod s ALA 180 CO 0.02 0.09 0.30 0.08 0.00 0.00 0.00 175.76 176.25 3iod s VAL 181 N 0.34 5.26 -0.20 0.00 1.01 -1.26 -0.47 120.40 125.07 3iod s VAL 181 Ca 0.24 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 3iod s VAL 181 Cb -0.15 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3iod s VAL 181 CO 0.10 0.28 -0.12 -0.69 0.00 0.00 0.00 175.10 174.67 3iod s VAL 182 N 1.31 2.72 0.01 2.92 1.01 0.39 -4.95 120.40 123.81 3iod s VAL 182 Ca 0.14 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 3iod s VAL 182 Cb -0.14 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3iod s VAL 182 CO 0.07 0.45 0.67 -0.83 0.00 0.00 0.00 175.10 175.46 3iod s GLY 183 N 1.38 2.68 -0.11 4.51 0.00 -1.26 -1.30 107.32 113.21 3iod s GLY 183 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.92 3iod s GLY 183 CO -0.08 0.92 -0.16 0.14 0.00 0.00 0.00 173.10 173.92 3iod s VAL 184 N -0.05 2.75 0.55 1.40 1.01 0.11 -4.90 120.40 121.28 3iod s VAL 184 Ca 0.34 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 3iod s VAL 184 Cb -0.19 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 3iod s VAL 184 CO 0.20 0.54 1.10 -2.65 0.00 0.00 0.00 175.10 174.29 3iod n PRO 185 N 3.42 1.23 -2.04 2.72 -0.02 -1.26 -0.41 135.00 138.64 3iod n PRO 185 Ca -0.18 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 3iod n PRO 185 Cb 0.53 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 3iod n PRO 185 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iod s THR 186 N -1.40 2.78 -0.02 3.45 2.01 -1.26 -4.71 115.64 116.49 3iod s THR 186 Ca 0.72 0.62 -0.18 0.00 0.31 0.00 0.00 61.69 63.17 3iod s THR 186 Cb -0.44 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 3iod s THR 186 CO 0.49 0.08 0.50 -0.69 -0.69 0.00 0.00 174.62 174.32 3iod s VAL 187 N 0.33 5.00 0.14 3.82 1.01 -1.26 -5.01 120.40 124.43 3iod s VAL 187 Ca 0.62 1.04 0.08 0.00 0.00 0.00 0.00 61.98 63.71 3iod s VAL 187 Cb -0.41 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3iod s VAL 187 CO 0.39 0.46 -0.18 -0.13 0.00 0.00 0.00 175.10 175.64 3iod s ARG 188 N -0.34 1.18 1.05 2.72 0.52 -1.26 -1.08 118.95 121.75 3iod s ARG 188 Ca 0.27 -1.31 -0.15 0.00 -0.52 0.00 0.00 55.73 54.02 3iod s ARG 188 Cb -0.17 -1.25 0.22 0.00 0.52 0.00 0.00 34.95 34.27 3iod s ARG 188 CO 0.14 0.26 1.12 -1.21 0.02 0.00 0.00 175.30 175.64 3iod s GLU 189 N -2.55 -0.03 0.41 3.54 2.02 0.54 -4.86 118.70 117.77 3iod s GLU 189 Ca 0.12 0.19 0.13 0.00 0.02 0.00 0.00 54.97 55.42 3iod s GLU 189 Cb -0.07 -1.71 0.98 0.00 0.10 0.00 0.00 34.13 33.43 3iod s GLU 189 CO 0.05 -2.97 1.95 0.00 0.02 0.00 0.00 175.26 174.31 3iod h ALA 190 N -2.05 1.99 -0.17 5.21 0.00 -2.01 -0.92 119.26 121.31 3iod h ALA 190 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3iod h ALA 190 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3iod h ALA 190 CO 0.49 -0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 3iod n ASP 191 N -4.48 1.79 0.00 0.00 5.68 -1.26 -4.91 116.55 113.36 3iod n ASP 191 Ca 0.12 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 3iod n ASP 191 Cb 0.41 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3iod n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iod n GLY 192 N 1.16 1.50 3.70 6.12 0.00 -0.35 -4.88 105.19 112.44 3iod n GLY 192 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3iod n GLY 192 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iod s LEU 193 N 0.00 4.38 0.26 0.99 2.96 -1.26 -4.59 118.68 121.43 3iod s LEU 193 Ca 0.00 2.75 -0.30 0.00 -0.22 0.00 0.00 54.13 56.36 3iod s LEU 193 Cb 0.00 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.00 3iod s LEU 193 CO 0.00 -0.96 1.53 0.00 -1.32 0.00 0.00 176.35 175.60 3iod s ALA 194 N 2.04 3.71 0.20 5.97 0.00 -1.26 -0.34 121.76 132.07 3iod s ALA 194 Ca 0.77 1.46 -0.30 0.00 0.00 0.00 0.00 51.96 53.89 3iod s ALA 194 Cb -0.46 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 18.95 3iod s ALA 194 CO 0.34 -0.87 1.39 -1.64 0.00 0.00 0.00 175.76 174.98 3iod s MET 195 N -0.28 4.32 -0.16 0.00 1.00 -0.24 -4.82 119.30 119.13 3iod s MET 195 Ca 0.63 2.17 -0.23 0.00 0.00 0.00 0.00 55.69 58.26 3iod s MET 195 Cb -0.45 -3.17 0.06 0.00 0.00 0.00 0.00 34.83 31.27 3iod s MET 195 CO 0.44 -0.37 0.60 0.45 0.00 0.00 0.00 175.02 176.14 3iod s SER 196 N 0.53 -0.60 0.50 3.03 0.15 -1.26 -4.94 113.70 111.10 3iod s SER 196 Ca 0.60 0.99 0.19 0.00 0.70 0.00 0.00 55.95 58.43 3iod s SER 196 Cb -0.39 0.98 1.25 0.00 -1.71 0.00 0.00 66.02 66.15 3iod s SER 196 CO 0.38 -0.34 2.08 0.77 1.20 0.00 0.00 173.24 177.33 3iod h SER 197 N 4.49 0.00 0.20 5.45 4.64 -1.94 -1.78 113.55 124.61 3iod h SER 197 Ca -0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3iod h SER 197 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3iod h SER 197 CO 0.21 0.11 -0.02 0.03 -0.87 0.00 0.00 176.83 176.29 3iod h ARG 198 N 0.00 0.00 -0.37 4.77 3.08 -1.96 -3.12 114.38 116.77 3iod h ARG 198 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3iod h ARG 198 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3iod h ARG 198 CO 0.01 0.02 0.25 -0.91 -1.07 0.00 0.00 179.97 178.27 3iod h ASN 199 N 0.00 0.25 -0.19 7.04 2.35 -1.70 -1.43 115.58 121.90 3iod h ASN 199 Ca -0.00 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3iod h ASN 199 Cb 0.13 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3iod h ASN 199 CO 0.00 0.17 0.19 0.08 -1.65 0.00 0.00 177.43 176.22 3iod h ARG 200 N 0.29 0.00 0.00 0.81 0.11 -1.75 -1.86 114.38 111.97 3iod h ARG 200 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3iod h ARG 200 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 3iod h ARG 200 CO -0.03 0.00 0.00 1.88 0.10 0.00 0.00 179.97 181.92 3iod h TYR 201 N 0.00 0.00 -3.00 4.08 0.05 -1.50 -3.45 116.97 113.15 3iod h TYR 201 Ca 0.09 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.34 3iod h TYR 201 Cb 0.46 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.22 3iod h TYR 201 CO 0.00 0.00 0.73 -0.51 -1.05 0.00 0.00 178.16 177.33 3iod s LEU 202 N -4.94 4.36 0.89 3.88 1.43 -0.70 -5.02 118.68 118.57 3iod s LEU 202 Ca 0.09 2.29 -0.13 0.00 -1.03 0.00 0.00 54.13 55.36 3iod s LEU 202 Cb 0.10 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.87 3iod s LEU 202 CO 0.61 -0.65 1.16 1.51 0.23 0.00 0.00 176.35 179.21 3iod s ASP 203 N 1.20 3.74 0.25 2.29 1.47 -1.26 -4.58 116.67 119.78 3iod s ASP 203 Ca 0.64 0.85 -0.04 0.00 1.18 0.00 0.00 52.55 55.19 3iod s ASP 203 Cb -0.36 -1.36 0.41 0.00 -0.34 0.00 0.00 42.92 41.27 3iod s ASP 203 CO 0.30 -2.40 1.80 -0.65 0.68 0.00 0.00 175.17 174.91 3iod h PRO 204 N -1.39 0.74 -0.41 2.11 0.11 -1.98 0.70 132.00 131.88 3iod h PRO 204 Ca -0.49 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3iod h PRO 204 Cb 1.32 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3iod h PRO 204 CO 0.61 0.49 0.15 0.00 -0.21 0.00 0.00 178.00 179.03 3iod h ALA 205 N 1.47 0.53 -0.58 -0.75 0.00 -1.99 -0.63 119.26 117.31 3iod h ALA 205 Ca 0.40 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3iod h ALA 205 Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3iod h ALA 205 CO -0.26 0.15 -0.03 1.96 0.00 0.00 0.00 179.25 181.07 3iod h GLN 206 N 0.51 1.04 -0.47 0.00 4.20 -1.70 -1.00 115.11 117.70 3iod h GLN 206 Ca 0.13 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 3iod h GLN 206 Cb 0.22 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3iod h GLN 206 CO -0.01 1.04 0.08 -0.09 -0.67 0.00 0.00 178.83 179.18 3iod h ARG 207 N 0.93 0.73 -0.26 1.46 9.65 0.61 0.05 114.38 127.55 3iod h ARG 207 Ca 0.16 -0.15 -0.07 0.00 -1.10 0.00 0.00 59.98 58.82 3iod h ARG 207 Cb 0.59 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 3iod h ARG 207 CO 0.04 0.69 -0.10 0.00 2.80 0.00 0.00 179.97 183.40 3iod h ALA 208 N 1.39 0.36 0.00 2.80 0.00 -0.94 -3.12 119.26 119.75 3iod h ALA 208 Ca 0.15 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3iod h ALA 208 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iod h ALA 208 CO 0.00 0.20 -0.36 0.00 0.00 0.00 0.00 179.25 179.10 3iod h ALA 209 N 0.75 1.40 0.00 0.00 0.00 -0.91 -3.10 119.26 117.40 3iod h ALA 209 Ca 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3iod h ALA 209 Cb 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3iod h ALA 209 CO 0.03 0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.71 3iod h ALA 210 N 1.64 1.30 -0.01 0.00 0.00 -0.92 -0.95 119.26 120.32 3iod h ALA 210 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iod h ALA 210 Cb 0.64 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3iod h ALA 210 CO 0.05 0.03 0.01 -0.24 0.00 0.00 0.00 179.25 179.10 3iod h VAL 211 N 0.00 0.32 0.00 0.00 3.04 -1.65 -2.58 116.25 115.38 3iod h VAL 211 Ca -0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 3iod h VAL 211 Cb 0.10 0.99 -0.00 0.00 -2.01 0.00 0.00 31.29 30.37 3iod h VAL 211 CO 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 177.57 176.48 3iod h ALA 212 N 1.99 1.75 0.53 3.17 0.00 -1.39 -1.22 119.26 124.08 3iod h ALA 212 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3iod h ALA 212 Cb 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3iod h ALA 212 CO -0.00 0.10 -0.25 -0.07 0.00 0.00 0.00 179.25 179.03 3iod h LEU 213 N 0.00 -0.60 -0.60 0.00 4.07 -1.68 0.14 115.31 116.63 3iod h LEU 213 Ca -0.00 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.82 3iod h LEU 213 Cb 0.16 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 3iod h LEU 213 CO 0.01 -0.37 -0.20 0.77 -1.08 0.00 0.00 178.44 177.57 3iod h SER 214 N -0.78 0.91 -0.78 -0.43 4.64 -1.72 -1.84 113.55 113.55 3iod h SER 214 Ca -0.07 -0.33 -0.04 0.00 -0.47 0.00 0.00 61.79 60.87 3iod h SER 214 Cb 0.58 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 3iod h SER 214 CO 0.12 1.08 0.31 0.00 -0.87 0.00 0.00 176.83 177.48 3iod h ALA 215 N 0.98 1.01 -0.56 5.18 0.00 -1.18 -0.26 119.26 124.43 3iod h ALA 215 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3iod h ALA 215 Cb 0.75 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3iod h ALA 215 CO 0.06 0.63 0.20 0.00 0.00 0.00 0.00 179.25 180.13 3iod h ALA 216 N 1.16 0.73 -0.25 0.00 0.00 -0.52 -0.96 119.26 119.43 3iod h ALA 216 Ca 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3iod h ALA 216 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3iod h ALA 216 CO -0.02 0.37 -0.02 -0.07 0.00 0.00 0.00 179.25 179.52 3iod h LEU 217 N 0.78 0.45 -0.68 0.00 3.38 -0.93 -0.87 115.31 117.43 3iod h LEU 217 Ca 0.18 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3iod h LEU 217 Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3iod h LEU 217 CO -0.01 0.66 -0.18 0.71 0.09 0.00 0.00 178.44 179.71 3iod h THR 218 N 0.22 1.27 -0.40 0.22 1.35 -1.05 -0.44 112.91 114.07 3iod h THR 218 Ca 0.07 -1.30 0.05 0.00 -0.55 0.00 0.00 66.41 64.68 3iod h THR 218 Cb 0.44 1.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 3iod h THR 218 CO 0.02 0.44 0.14 0.00 -0.25 0.00 0.00 175.52 175.87 3iod h ALA 219 N 1.06 0.47 -0.66 6.62 0.00 -1.14 -2.25 119.26 123.36 3iod h ALA 219 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3iod h ALA 219 Cb 0.70 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3iod h ALA 219 CO 0.05 -0.24 0.39 0.00 0.00 0.00 0.00 179.25 179.45 3iod h ALA 220 N 1.26 0.85 -0.56 0.00 0.00 -0.69 0.15 119.26 120.27 3iod h ALA 220 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3iod h ALA 220 Cb 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3iod h ALA 220 CO -0.19 0.33 0.26 0.00 0.00 0.00 0.00 179.25 179.65 3iod h ALA 221 N 1.20 1.40 0.04 0.00 0.00 -0.77 -1.53 119.26 119.61 3iod h ALA 221 Ca 0.24 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.78 3iod h ALA 221 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3iod h ALA 221 CO -0.04 0.46 -1.21 0.45 0.00 0.00 0.00 179.25 178.91 3iod h HIS 222 N 0.78 0.15 0.00 0.00 3.86 -1.03 -3.21 115.15 115.70 3iod h HIS 222 Ca 0.19 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3iod h HIS 222 Cb 0.10 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3iod h HIS 222 CO 0.01 1.10 0.00 0.00 0.86 0.00 0.00 177.93 179.90 3iod h ALA 223 N 0.86 1.00 0.00 2.45 0.00 -0.23 -3.30 119.26 120.03 3iod h ALA 223 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3iod h ALA 223 Cb 1.87 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 3iod h ALA 223 CO 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.37 3iod h ALA 224 N 2.03 1.07 -0.39 0.00 0.00 -1.30 -0.55 119.26 120.12 3iod h ALA 224 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3iod h ALA 224 Cb 0.36 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3iod h ALA 224 CO 0.00 0.03 0.38 1.79 0.00 0.00 0.00 179.25 181.45 3iod h THR 225 N 0.00 0.47 -0.20 0.00 1.35 -1.77 0.64 112.91 113.41 3iod h THR 225 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3iod h THR 225 Cb 0.25 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 3iod h THR 225 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3iod n ALA 226 N -2.41 2.49 0.00 6.62 0.00 -0.22 -4.49 120.51 122.51 3iod n ALA 226 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3iod n ALA 226 Cb 0.55 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3iod n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iod n GLY 227 N 1.25 1.25 0.29 0.00 0.00 -0.15 -4.52 105.19 103.31 3iod n GLY 227 Ca 0.17 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 3iod n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iod h ALA 228 N 0.00 0.80 -0.60 4.61 0.00 -1.90 -2.13 119.26 120.04 3iod h ALA 228 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3iod h ALA 228 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3iod h ALA 228 CO 0.00 0.59 -0.01 0.37 0.00 0.00 0.00 179.25 180.21 3iod h GLN 229 N 0.92 1.06 -0.95 0.00 5.75 -1.97 -0.38 115.11 119.54 3iod h GLN 229 Ca 0.18 -0.34 0.03 0.00 -0.15 0.00 0.00 58.65 58.36 3iod h GLN 229 Cb 0.48 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.88 3iod h GLN 229 CO 0.02 1.04 0.63 0.00 -2.65 0.00 0.00 178.83 177.87 3iod h ALA 230 N 0.98 1.36 -0.02 3.38 0.00 -1.74 0.12 119.26 123.35 3iod h ALA 230 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iod h ALA 230 Cb 0.57 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3iod h ALA 230 CO 0.03 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3iod h ALA 231 N 1.43 0.02 -0.62 0.00 0.00 -0.96 0.52 119.26 119.66 3iod h ALA 231 Ca 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3iod h ALA 231 Cb -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3iod h ALA 231 CO -0.10 -0.26 0.35 -0.07 0.00 0.00 0.00 179.25 179.17 3iod h LEU 232 N -0.36 0.76 -0.76 0.00 3.38 -0.90 -2.00 115.31 115.42 3iod h LEU 232 Ca 0.00 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3iod h LEU 232 Cb 0.42 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3iod h LEU 232 CO 0.00 0.62 0.05 0.44 0.09 0.00 0.00 178.44 179.64 3iod h ASP 233 N 0.84 0.95 -0.21 -0.43 3.32 -0.64 -0.29 116.42 119.96 3iod h ASP 233 Ca 0.22 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3iod h ASP 233 Cb 0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3iod h ASP 233 CO -0.04 0.98 0.12 0.00 -1.72 0.00 0.00 179.24 178.58 3iod h ALA 234 N 1.13 0.26 -0.60 3.45 0.00 -0.67 -1.19 119.26 121.63 3iod h ALA 234 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iod h ALA 234 Cb 0.47 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3iod h ALA 234 CO 0.02 -0.21 0.33 0.00 0.00 0.00 0.00 179.25 179.38 3iod h ALA 235 N 1.01 0.77 -0.42 0.00 0.00 -1.10 -2.32 119.26 117.20 3iod h ALA 235 Ca 0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3iod h ALA 235 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3iod h ALA 235 CO -0.01 0.28 -0.07 -0.09 0.00 0.00 0.00 179.25 179.36 3iod h ARG 236 N 0.81 0.73 -0.53 0.00 9.65 -0.90 -1.86 114.38 122.28 3iod h ARG 236 Ca 0.21 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3iod h ARG 236 Cb 0.04 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 3iod h ARG 236 CO -0.03 0.79 0.33 0.00 2.80 0.00 0.00 179.97 183.86 3iod h ALA 237 N 1.25 0.68 -0.31 2.80 0.00 -0.86 0.25 119.26 123.07 3iod h ALA 237 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3iod h ALA 237 Cb 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3iod h ALA 237 CO 0.03 0.14 0.16 0.28 0.00 0.00 0.00 179.25 179.86 3iod h VAL 238 N 0.72 1.14 -0.77 0.00 2.07 -1.06 -1.98 116.25 116.38 3iod h VAL 238 Ca 0.19 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3iod h VAL 238 Cb -0.04 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3iod h VAL 238 CO -0.04 0.14 0.26 -0.07 0.02 0.00 0.00 177.57 177.89 3iod h LEU 239 N 0.37 1.10 -2.64 2.57 3.38 -1.12 -2.20 115.31 116.77 3iod h LEU 239 Ca 0.11 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3iod h LEU 239 Cb 0.09 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3iod h LEU 239 CO -0.02 1.00 -0.00 0.44 0.09 0.00 0.00 178.44 179.95 3iod h ASP 240 N 1.13 0.00 0.20 -0.43 3.32 -0.22 -2.12 116.42 118.30 3iod h ASP 240 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3iod h ASP 240 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3iod h ASP 240 CO -0.01 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 177.45 3iod n ALA 241 N -2.10 2.71 -2.83 3.45 0.00 -0.77 -4.87 120.51 116.11 3iod n ALA 241 Ca -0.02 -0.29 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 3iod n ALA 241 Cb 0.12 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 3iod n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iod s ALA 242 N -2.27 3.28 0.30 0.00 0.00 -0.80 -5.10 121.76 117.16 3iod s ALA 242 Ca 0.35 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 3iod s ALA 242 Cb 0.21 -1.71 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 3iod s ALA 242 CO 0.42 0.30 0.73 -1.25 0.00 0.00 0.00 175.76 175.96 3iod s PRO 243 N 0.03 4.05 -1.36 0.00 0.04 -1.26 -4.24 135.00 132.26 3iod s PRO 243 Ca 0.03 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.78 3iod s PRO 243 Cb -0.13 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3iod s PRO 243 CO 0.02 0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.67 3iod n GLY 244 N -0.15 0.08 3.08 0.56 0.00 -1.26 -4.87 105.19 102.64 3iod n GLY 244 Ca 0.02 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3iod n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iod s VAL 245 N -2.72 2.80 -0.52 1.61 1.01 -1.26 -4.38 120.40 116.94 3iod s VAL 245 Ca 0.00 -2.08 -0.21 0.00 0.00 0.00 0.00 61.98 59.69 3iod s VAL 245 Cb 0.00 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.51 3iod s VAL 245 CO 0.00 -0.56 0.76 0.00 0.00 0.00 0.00 175.10 175.30 3iod s ALA 246 N 1.06 3.29 -0.24 5.51 0.00 -0.40 -4.90 121.76 126.08 3iod s ALA 246 Ca 0.07 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.25 3iod s ALA 246 Cb -0.21 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 3iod s ALA 246 CO -0.05 -2.14 1.23 0.08 0.00 0.00 0.00 175.76 174.87 3iod s VAL 247 N 3.19 4.30 -0.00 0.00 1.01 -1.26 -0.52 120.40 127.12 3iod s VAL 247 Ca 0.22 1.53 -0.17 0.00 0.00 0.00 0.00 61.98 63.55 3iod s VAL 247 Cb -0.16 -4.15 -0.34 0.00 0.00 0.00 0.00 36.38 31.73 3iod s VAL 247 CO 0.16 -0.32 0.94 0.44 0.00 0.00 0.00 175.10 176.31 3iod h ASP 248 N 8.53 0.72 -5.06 3.32 3.32 -0.70 -3.48 116.42 123.07 3iod h ASP 248 Ca -0.25 -0.93 -0.05 0.00 0.02 0.00 0.00 57.03 55.83 3iod h ASP 248 Cb 1.09 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.27 3iod h ASP 248 CO 1.00 1.63 -0.02 -0.72 -1.72 0.00 0.00 179.24 179.42 3iod s TYR 249 N -2.55 -0.28 -0.26 4.55 -0.85 -1.13 -4.98 117.35 111.86 3iod s TYR 249 Ca -0.11 0.01 -0.02 0.00 -0.52 0.00 0.00 57.07 56.43 3iod s TYR 249 Cb 0.03 0.31 0.13 0.00 0.38 0.00 0.00 41.96 42.81 3iod s TYR 249 CO 0.91 -0.72 0.30 -1.17 -1.52 0.00 0.00 175.55 173.34 3iod s LEU 250 N -2.72 -0.31 -0.03 -3.49 2.96 -1.26 -1.90 118.68 111.93 3iod s LEU 250 Ca 0.02 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3iod s LEU 250 Cb 0.01 0.63 0.01 0.00 0.50 0.00 0.00 46.19 47.34 3iod s LEU 250 CO -0.11 -0.35 -0.06 -1.61 -1.32 0.00 0.00 176.35 172.90 3iod s GLU 251 N 2.40 0.81 -0.23 1.98 2.02 -0.12 -4.97 118.70 120.59 3iod s GLU 251 Ca 0.09 -0.16 -0.09 0.00 0.02 0.00 0.00 54.97 54.83 3iod s GLU 251 Cb -0.15 -0.79 -0.05 0.00 0.10 0.00 0.00 34.13 33.24 3iod s GLU 251 CO -0.24 -0.01 0.13 -1.17 0.02 0.00 0.00 175.26 173.99 3iod s LEU 252 N 0.60 3.96 0.31 1.80 2.96 -1.26 -1.14 118.68 125.92 3iod s LEU 252 Ca -0.08 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 3iod s LEU 252 Cb -0.12 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 3iod s LEU 252 CO 0.00 0.08 0.09 -0.13 -1.32 0.00 0.00 176.35 175.07 3iod s ARG 253 N 0.96 1.61 1.05 1.98 1.81 0.06 -4.26 118.95 122.16 3iod s ARG 253 Ca 0.06 -1.90 -0.16 0.00 -1.72 0.00 0.00 55.73 52.01 3iod s ARG 253 Cb -0.13 -0.56 0.22 0.00 -0.45 0.00 0.00 34.95 34.03 3iod s ARG 253 CO 0.03 -0.29 1.17 0.16 -0.68 0.00 0.00 175.30 175.69 3iod s ASP 254 N -3.44 2.25 0.58 0.23 1.47 -0.23 -0.36 116.67 117.17 3iod s ASP 254 Ca 0.35 0.67 0.36 0.00 1.18 0.00 0.00 52.55 55.11 3iod s ASP 254 Cb 0.07 -0.98 1.63 0.00 -0.34 0.00 0.00 42.92 43.30 3iod s ASP 254 CO 0.15 -3.30 2.09 0.16 0.68 0.00 0.00 175.17 174.94 3iod h ILE 255 N -2.02 0.07 -0.53 2.11 3.07 -1.84 0.67 117.51 119.04 3iod h ILE 255 Ca -0.47 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 65.53 3iod h ILE 255 Cb 1.29 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 3iod h ILE 255 CO 0.44 0.02 0.00 0.61 -1.05 0.00 0.00 178.15 178.17 3iod n GLY 256 N -0.30 1.68 2.26 0.16 0.00 -1.26 -4.94 105.19 102.79 3iod n GLY 256 Ca -0.01 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 3iod n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iod n LEU 257 N 1.23 -0.31 0.00 0.99 4.77 0.23 -5.03 117.00 118.88 3iod n LEU 257 Ca 0.20 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 3iod n LEU 257 Cb 0.51 -1.33 0.09 0.00 -2.33 0.00 0.00 43.42 40.36 3iod n LEU 257 CO 0.14 -0.39 0.31 0.61 -1.33 0.00 0.00 177.39 176.73 3iod n GLY 258 N -1.92 -1.72 3.77 -0.72 0.00 -1.26 -4.75 105.19 98.59 3iod n GLY 258 Ca -0.06 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 3iod n GLY 258 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iod s PRO 259 N -4.09 3.66 0.13 1.61 0.02 -1.26 -1.07 135.00 134.00 3iod s PRO 259 Ca 0.29 2.42 -0.31 0.00 0.02 0.00 0.00 61.00 63.42 3iod s PRO 259 Cb -0.01 -2.64 -0.09 0.00 0.02 0.00 0.00 34.50 31.77 3iod s PRO 259 CO 0.21 -0.84 1.63 1.41 -0.33 0.00 0.00 177.00 179.09 3iod s MET 260 N -2.47 4.20 0.86 5.54 1.75 -1.26 -3.74 119.30 124.18 3iod s MET 260 Ca 0.61 2.39 -0.11 0.00 -1.25 0.00 0.00 55.69 57.33 3iod s MET 260 Cb -0.44 -3.36 0.11 0.00 2.84 0.00 0.00 34.83 33.97 3iod s MET 260 CO 0.56 -0.69 1.09 -1.25 -0.65 0.00 0.00 175.02 174.09 3iod s PRO 261 N 1.88 1.56 0.30 4.11 0.04 -1.26 -4.91 135.00 136.72 3iod s PRO 261 Ca 0.73 0.84 0.02 0.00 0.04 0.00 0.00 61.00 62.62 3iod s PRO 261 Cb -0.43 -1.84 0.56 0.00 0.04 0.00 0.00 34.50 32.83 3iod s PRO 261 CO 0.32 -2.04 1.89 -0.07 0.04 0.00 0.00 177.00 177.14 3iod h LEU 262 N -1.40 0.89 0.00 -3.56 3.38 -2.00 -3.44 115.31 109.18 3iod h LEU 262 Ca -0.48 0.02 -0.40 0.00 0.09 0.00 0.00 57.88 57.11 3iod h LEU 262 Cb 1.27 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 3iod h LEU 262 CO 0.55 0.54 -0.38 -0.46 0.09 0.00 0.00 178.44 178.78 3iod n ASN 263 N -4.53 -0.17 0.00 -0.43 2.04 -1.26 -4.89 115.26 106.02 3iod n ASN 263 Ca 0.15 -2.76 0.00 0.00 -0.44 0.00 0.00 54.58 51.54 3iod n ASN 263 Cb 0.27 1.23 0.00 0.00 -2.53 0.00 0.00 39.78 38.75 3iod n ASN 263 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3iod n GLY 264 N -0.44 -1.78 3.80 4.83 0.00 -1.22 -4.88 105.19 105.49 3iod n GLY 264 Ca 0.04 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 3iod n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iod s SER 265 N -4.00 7.21 0.25 1.61 0.01 -1.26 -0.61 113.70 116.91 3iod s SER 265 Ca 0.00 1.50 -0.02 0.00 1.31 0.00 0.00 55.95 58.74 3iod s SER 265 Cb 0.00 -2.45 0.01 0.00 0.21 0.00 0.00 66.02 63.79 3iod s SER 265 CO 0.00 0.15 0.35 0.61 0.41 0.00 0.00 173.24 174.76 3iod n GLY 266 N 1.28 2.36 2.82 3.44 0.00 0.93 -4.01 105.19 112.01 3iod n GLY 266 Ca -0.05 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 3iod n GLY 266 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iod s ARG 267 N -2.53 -0.00 -0.20 1.61 6.06 0.51 -1.21 118.95 123.20 3iod s ARG 267 Ca 0.20 0.10 -0.05 0.00 -2.50 0.00 0.00 55.73 53.47 3iod s ARG 267 Cb -0.01 -0.15 -0.02 0.00 0.06 0.00 0.00 34.95 34.83 3iod s ARG 267 CO 0.14 -0.09 -0.00 -1.17 -2.50 0.00 0.00 175.30 171.68 3iod s LEU 268 N 0.58 3.25 -0.00 -0.88 2.96 -0.17 -0.76 118.68 123.66 3iod s LEU 268 Ca -0.05 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 3iod s LEU 268 Cb -0.07 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3iod s LEU 268 CO -0.02 0.07 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.06 3iod s LEU 269 N 0.99 2.08 0.04 -0.68 1.02 -0.29 -0.92 118.68 120.92 3iod s LEU 269 Ca 0.02 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.69 3iod s LEU 269 Cb -0.14 -1.31 -0.02 0.00 0.02 0.00 0.00 46.19 44.73 3iod s LEU 269 CO 0.02 0.30 -0.08 0.54 0.02 0.00 0.00 176.35 177.15 3iod s VAL 270 N -0.66 0.57 -0.01 -1.59 0.11 -0.44 -0.95 120.40 117.45 3iod s VAL 270 Ca 0.10 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 3iod s VAL 270 Cb -0.10 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.13 3iod s VAL 270 CO -0.00 -0.33 0.00 0.00 -3.33 0.00 0.00 175.10 171.45 3iod s ALA 271 N -1.26 0.06 0.04 1.54 0.00 -0.80 -1.92 121.76 119.42 3iod s ALA 271 Ca -0.08 0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 3iod s ALA 271 Cb -0.09 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.98 3iod s ALA 271 CO 0.00 -0.02 0.28 0.00 0.00 0.00 0.00 175.76 176.03 3iod s ALA 272 N 0.23 -0.60 -0.15 0.00 0.00 -0.32 0.09 121.76 121.01 3iod s ALA 272 Ca -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 3iod s ALA 272 Cb -0.03 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 3iod s ALA 272 CO -0.01 -0.41 -0.04 1.03 0.00 0.00 0.00 175.76 176.34 3iod s ARG 273 N -2.60 3.66 -0.33 0.00 0.52 0.32 -0.34 118.95 120.19 3iod s ARG 273 Ca -0.05 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.67 3iod s ARG 273 Cb -0.01 -2.92 0.09 0.00 0.52 0.00 0.00 34.95 32.63 3iod s ARG 273 CO -0.04 0.26 0.03 -0.51 0.02 0.00 0.00 175.30 175.06 3iod s LEU 274 N 0.33 4.43 0.00 2.53 1.02 0.72 -1.27 118.68 126.44 3iod s LEU 274 Ca -0.04 -1.86 0.00 0.00 0.02 0.00 0.00 54.13 52.25 3iod s LEU 274 Cb -0.14 -1.65 0.00 0.00 0.02 0.00 0.00 46.19 44.42 3iod s LEU 274 CO 0.03 -0.35 0.00 0.61 0.02 0.00 0.00 176.35 176.66 3iod n GLY 275 N 4.38 3.58 1.09 -3.19 0.00 -1.26 -1.56 105.19 108.24 3iod n GLY 275 Ca -0.03 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3iod n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iod n THR 276 N 0.00 0.45 -3.49 2.61 -2.24 -1.26 -4.88 114.28 105.47 3iod n THR 276 Ca 0.00 -0.70 -0.40 0.00 -2.27 0.00 0.00 64.05 60.69 3iod n THR 276 Cb 0.00 0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 69.08 3iod n THR 276 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iod s THR 277 N -1.55 5.24 -0.22 4.28 2.01 -0.60 -5.06 115.64 119.74 3iod s THR 277 Ca 0.38 0.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.27 3iod s THR 277 Cb 0.22 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3iod s THR 277 CO 0.31 0.04 0.30 -0.60 -0.69 0.00 0.00 174.62 173.98 3iod s ARG 278 N 1.86 4.12 0.07 4.92 3.52 -1.26 -0.20 118.95 131.98 3iod s ARG 278 Ca 0.09 0.00 0.08 0.00 -0.13 0.00 0.00 55.73 55.77 3iod s ARG 278 Cb -0.17 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 3iod s ARG 278 CO 0.11 -0.02 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.88 3iod s LEU 279 N 1.26 2.58 0.11 -0.88 1.43 0.54 -4.97 118.68 118.76 3iod s LEU 279 Ca 0.14 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 3iod s LEU 279 Cb -0.14 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3iod s LEU 279 CO 0.07 0.23 -0.18 -0.76 0.23 0.00 0.00 176.35 175.93 3iod s LEU 280 N -1.66 2.33 0.23 1.79 1.43 -1.26 -1.17 118.68 120.37 3iod s LEU 280 Ca 0.15 -0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 52.35 3iod s LEU 280 Cb -0.10 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.38 3iod s LEU 280 CO 0.06 -0.01 0.58 -0.62 0.23 0.00 0.00 176.35 176.59 3iod s ASP 281 N -2.08 -0.24 0.10 2.29 -1.08 -0.81 -4.88 116.67 109.97 3iod s ASP 281 Ca 0.07 -0.59 -0.25 0.00 -0.52 0.00 0.00 52.55 51.25 3iod s ASP 281 Cb -0.09 0.63 0.08 0.00 -1.46 0.00 0.00 42.92 42.08 3iod s ASP 281 CO 0.04 -1.16 0.74 0.54 0.52 0.00 0.00 175.17 175.84 3iod s ASN 282 N -2.91 -0.46 -0.05 -0.34 2.20 -1.26 -1.33 114.94 110.80 3iod s ASN 282 Ca 0.12 -0.05 -0.17 0.00 -0.94 0.00 0.00 52.86 51.83 3iod s ASN 282 Cb -0.03 0.52 0.03 0.00 -2.00 0.00 0.00 41.25 39.77 3iod s ASN 282 CO 0.02 -0.85 0.38 -0.51 -2.94 0.00 0.00 177.10 173.20 3iod s ILE 283 N -3.49 0.04 0.35 0.54 2.07 -0.09 -4.98 121.20 115.64 3iod s ILE 283 Ca 0.04 -0.30 -0.29 0.00 -1.41 0.00 0.00 60.65 58.69 3iod s ILE 283 Cb -0.01 -0.65 -0.11 0.00 0.13 0.00 0.00 42.46 41.82 3iod s ILE 283 CO -0.10 -0.17 1.46 0.00 -1.91 0.00 0.00 174.94 174.22 3iod s ALA 284 N -0.94 3.58 -0.02 1.50 0.00 -1.26 -1.00 121.76 123.63 3iod s ALA 284 Ca -0.10 1.49 0.03 0.00 0.00 0.00 0.00 51.96 53.38 3iod s ALA 284 Cb -0.04 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 3iod s ALA 284 CO 0.04 -0.94 -0.10 0.42 0.00 0.00 0.00 175.76 175.18 3iod s ILE 285 N -0.94 0.83 -0.19 0.00 -1.09 -0.35 -4.79 121.20 114.67 3iod s ILE 285 Ca 0.53 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 3iod s ILE 285 Cb -0.45 -0.71 0.03 0.00 -1.58 0.00 0.00 42.46 39.75 3iod s ILE 285 CO 0.58 0.24 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.77 3iod s GLU 286 N -0.07 2.55 -0.40 2.79 0.41 -1.26 -0.05 118.70 122.67 3iod s GLU 286 Ca 0.01 -0.86 -0.23 0.00 -0.41 0.00 0.00 54.97 53.48 3iod s GLU 286 Cb -0.06 -2.50 0.02 0.00 -1.78 0.00 0.00 34.13 29.81 3iod s GLU 286 CO -0.00 -0.31 0.79 0.42 -0.49 0.00 0.00 175.26 175.67 3iod s ILE 287 N 1.32 4.69 0.00 -1.63 -1.09 0.22 -4.52 121.20 120.20 3iod s ILE 287 Ca 0.02 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 3iod s ILE 287 Cb -0.15 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3iod s ILE 287 CO -0.10 -0.55 0.00 0.61 -1.23 0.00 0.00 174.94 173.67