#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5i n THR 2 N 0.00 0.00 -5.10 2.03 -1.04 -1.23 -4.58 114.28 104.35 3i5i n THR 2 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3i5i n THR 2 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 3i5i n THR 2 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3i5i s MET 3 N 0.00 2.57 -0.22 -2.82 1.00 -1.26 -4.99 119.30 113.59 3i5i s MET 3 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 55.69 54.87 3i5i s MET 3 Cb 0.00 -2.26 0.03 0.00 0.00 0.00 0.00 34.83 32.60 3i5i s MET 3 CO 0.00 0.46 -0.14 0.34 0.00 0.00 0.00 175.02 175.68 3i5i s ASP 4 N -0.33 3.78 0.00 3.03 -1.08 -1.26 -4.93 116.67 115.88 3i5i s ASP 4 Ca 0.02 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 51.18 3i5i s ASP 4 Cb -0.13 -1.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.78 3i5i s ASP 4 CO 0.02 -0.08 0.20 0.49 0.52 0.00 0.00 175.17 176.32 3i5i n PHE 5 N 4.59 0.00 0.00 -5.34 3.01 -1.26 -2.36 117.46 116.11 3i5i n PHE 5 Ca -0.18 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.20 3i5i n PHE 5 Cb 0.47 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 3i5i n PHE 5 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3i5i n SER 6 N 0.71 2.98 -4.52 4.37 7.64 -1.26 -4.32 113.62 119.23 3i5i n SER 6 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 3i5i n SER 6 Cb 0.10 0.25 -0.17 0.00 -1.01 0.00 0.00 64.21 63.37 3i5i n SER 6 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3i5i n ASP 7 N -1.57 -0.26 -0.01 6.43 -0.08 -0.99 -4.59 116.55 115.48 3i5i n ASP 7 Ca 0.00 -0.80 0.01 0.00 -1.51 0.00 0.00 54.79 52.48 3i5i n ASP 7 Cb 0.31 -0.93 0.01 0.00 2.34 0.00 0.00 41.12 42.85 3i5i n ASP 7 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3i5i n PRO 8 N 6.79 0.00 -0.05 -0.67 -0.02 -1.26 0.14 135.00 139.92 3i5i n PRO 8 Ca 0.61 0.02 -0.05 0.00 -2.02 0.00 0.00 63.50 62.06 3i5i n PRO 8 Cb 0.24 -0.05 0.16 0.00 -0.02 0.00 0.00 33.50 33.82 3i5i n PRO 8 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i5i h ASP 9 N 0.00 0.66 0.00 2.55 3.32 -1.98 -2.09 116.42 118.88 3i5i h ASP 9 Ca 0.01 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3i5i h ASP 9 Cb 0.07 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3i5i h ASP 9 CO -0.00 0.83 0.00 0.23 -1.72 0.00 0.00 179.24 178.58 3i5i n MET 10 N -4.15 0.39 0.10 3.56 2.81 0.37 -3.60 117.12 116.59 3i5i n MET 10 Ca 0.01 0.00 0.20 0.00 -1.81 0.00 0.00 57.70 56.10 3i5i n MET 10 Cb 0.37 -1.47 0.73 0.00 -0.71 0.00 0.00 33.22 32.15 3i5i n MET 10 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3i5i h GLU 11 N 0.00 0.00 -0.01 0.03 4.81 -1.56 -1.13 114.58 116.73 3i5i h GLU 11 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i5i h GLU 11 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3i5i h GLU 11 CO 0.00 0.00 -0.22 1.19 -0.73 0.00 0.00 179.01 179.25 3i5i n PHE 12 N -3.61 0.00 -0.10 0.92 3.01 -1.24 -4.65 117.46 111.80 3i5i n PHE 12 Ca 0.07 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.34 3i5i n PHE 12 Cb 0.65 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.05 3i5i n PHE 12 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3i5i n LEU 13 N -0.42 1.88 0.00 4.37 4.77 -0.83 -4.31 117.00 122.46 3i5i n LEU 13 Ca 0.03 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3i5i n LEU 13 Cb 0.18 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3i5i n LEU 13 CO 0.12 0.54 0.08 0.00 -1.33 0.00 0.00 177.39 176.80 3i5i n LEU 15 N -0.23 0.00 -4.84 0.00 7.94 -1.26 -5.06 117.00 113.54 3i5i n LEU 15 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 3i5i n LEU 15 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3i5i n LEU 15 CO 0.00 0.00 0.64 0.42 -1.11 0.00 0.00 177.39 177.34 3i5i s THR 16 N 0.00 4.54 0.07 1.96 -4.23 -1.26 -4.70 115.64 112.03 3i5i s THR 16 Ca 0.00 1.19 -0.14 0.00 -1.18 0.00 0.00 61.69 61.55 3i5i s THR 16 Cb 0.00 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 3i5i s THR 16 CO 0.00 -0.60 0.94 -1.14 -0.54 0.00 0.00 174.62 173.28 3i5i n ARG 17 N -1.37 -0.20 -0.09 3.99 0.63 -1.26 0.12 116.66 118.48 3i5i n ARG 17 Ca 0.06 0.93 -0.06 0.00 -0.92 0.00 0.00 57.85 57.86 3i5i n ARG 17 Cb 0.54 -1.38 -0.00 0.00 0.45 0.00 0.00 32.46 32.07 3i5i n ARG 17 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3i5i h GLN 18 N 0.00 -0.08 -0.72 -0.14 4.20 -1.96 0.19 115.11 116.59 3i5i h GLN 18 Ca 0.07 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.83 3i5i h GLN 18 Cb 0.19 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 3i5i h GLN 18 CO -0.44 -0.06 0.48 0.87 -0.67 0.00 0.00 178.83 179.01 3i5i h LYS 19 N -0.09 0.83 0.01 1.46 1.57 0.58 0.17 116.57 121.09 3i5i h LYS 19 Ca 0.16 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3i5i h LYS 19 Cb 0.34 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3i5i h LYS 19 CO -0.38 0.55 -0.00 1.25 -0.57 0.00 0.00 179.45 180.29 3i5i h LEU 20 N 0.85 -0.01 -1.34 2.94 5.85 0.16 0.61 115.31 124.37 3i5i h LEU 20 Ca 0.29 -0.65 0.13 0.00 0.84 0.00 0.00 57.88 58.49 3i5i h LEU 20 Cb 0.09 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3i5i h LEU 20 CO -0.09 0.65 0.55 -0.03 -0.34 0.00 0.00 178.44 179.18 3i5i h MET 21 N -0.67 0.65 0.16 1.25 4.05 -0.45 1.46 114.93 121.38 3i5i h MET 21 Ca -0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3i5i h MET 21 Cb 0.65 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 3i5i h MET 21 CO 0.00 0.43 -0.08 1.49 0.23 0.00 0.00 176.91 178.98 3i5i h GLU 22 N 0.67 -0.21 -0.18 0.39 4.81 -0.45 -1.47 114.58 118.13 3i5i h GLU 22 Ca 0.41 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.53 3i5i h GLU 22 Cb 0.66 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3i5i h GLU 22 CO -0.17 -0.05 -0.44 0.00 -0.73 0.00 0.00 179.01 177.61 3i5i h ALA 23 N 0.49 0.90 0.00 2.92 0.00 0.12 -3.08 119.26 120.60 3i5i h ALA 23 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i5i h ALA 23 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i5i h ALA 23 CO 0.04 0.64 0.00 2.41 0.00 0.00 0.00 179.25 182.34 3i5i n THR 24 N -4.00 0.78 0.21 0.00 -1.04 0.48 -3.79 114.28 106.92 3i5i n THR 24 Ca -0.02 0.17 0.03 0.00 -2.04 0.00 0.00 64.05 62.18 3i5i n THR 24 Cb 0.53 -0.95 0.02 0.00 -1.82 0.00 0.00 70.33 68.11 3i5i n THR 24 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3i5i n SER 25 N -1.78 1.43 -4.23 8.00 3.41 -0.57 -4.24 113.62 115.65 3i5i n SER 25 Ca 0.04 -1.21 -0.34 0.00 -0.26 0.00 0.00 58.87 57.10 3i5i n SER 25 Cb 0.23 -0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.33 3i5i n SER 25 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3i5i n ILE 26 N 0.29 0.00 -1.42 -1.33 -5.35 -1.23 -4.91 119.36 105.40 3i5i n ILE 26 Ca 0.03 -0.25 -0.33 0.00 -0.27 0.00 0.00 62.75 61.93 3i5i n ILE 26 Cb 0.13 -0.49 0.09 0.00 -1.74 0.00 0.00 39.64 37.63 3i5i n ILE 26 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 3i5i s PRO 27 N -3.17 2.22 -0.20 6.28 0.02 -1.26 -4.91 135.00 133.98 3i5i s PRO 27 Ca 0.52 1.53 -0.30 0.00 0.02 0.00 0.00 61.00 62.78 3i5i s PRO 27 Cb -0.08 -1.87 0.15 0.00 0.02 0.00 0.00 34.50 32.73 3i5i s PRO 27 CO 0.66 -1.73 1.13 0.12 -0.33 0.00 0.00 177.00 176.86 3i5i s PHE 28 N -2.31 -0.25 -0.11 6.54 5.36 -1.26 -4.94 117.98 121.01 3i5i s PHE 28 Ca 0.69 0.41 -0.06 0.00 -0.96 0.00 0.00 56.93 57.01 3i5i s PHE 28 Cb -0.24 0.47 0.05 0.00 -0.34 0.00 0.00 43.02 42.96 3i5i s PHE 28 CO 0.47 -0.23 0.27 0.34 -1.46 0.00 0.00 175.22 174.61 3i5i s ASP 29 N -1.11 -0.30 0.21 6.13 2.15 -1.26 -5.04 116.67 117.44 3i5i s ASP 29 Ca 0.02 0.58 0.25 0.00 0.43 0.00 0.00 52.55 53.83 3i5i s ASP 29 Cb -0.01 0.48 0.49 0.00 -0.30 0.00 0.00 42.92 43.58 3i5i s ASP 29 CO -0.02 -0.16 1.51 1.23 -0.17 0.00 0.00 175.17 177.56 3i5i h GLY 30 N 7.03 0.00 -0.32 2.66 0.00 -1.96 -1.47 103.07 109.01 3i5i h GLY 30 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3i5i h GLY 30 CO 0.36 0.00 -0.11 0.28 0.00 0.00 0.00 176.54 177.07 3i5i n LYS 31 N -2.38 1.40 0.00 4.80 5.02 -1.26 -4.69 118.16 121.05 3i5i n LYS 31 Ca 0.04 -0.86 0.00 0.00 -2.02 0.00 0.00 58.31 55.47 3i5i n LYS 31 Cb 0.46 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3i5i n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i5i n LYS 32 N -0.05 0.00 -2.01 1.97 4.76 -1.21 -4.81 118.16 116.80 3i5i n LYS 32 Ca 0.16 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.20 3i5i n LYS 32 Cb 0.37 -0.43 -0.00 0.00 -1.84 0.00 0.00 35.03 33.13 3i5i n LYS 32 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3i5i s ASN 33 N -2.66 6.24 0.16 4.39 -0.87 -0.56 -1.24 114.94 120.41 3i5i s ASN 33 Ca 0.00 2.70 -0.23 0.00 -1.57 0.00 0.00 52.86 53.76 3i5i s ASN 33 Cb 0.00 -2.64 0.08 0.00 -0.02 0.00 0.00 41.25 38.67 3i5i s ASN 33 CO 0.00 -0.90 1.06 0.00 -2.57 0.00 0.00 177.10 174.69 3i5i s TRP 35 N -2.16 3.52 -0.01 0.00 0.23 0.48 0.03 118.94 121.03 3i5i s TRP 35 Ca 0.23 0.51 -0.02 0.00 -2.03 0.00 0.00 56.10 54.79 3i5i s TRP 35 Cb -0.02 -2.12 0.00 0.00 0.03 0.00 0.00 33.47 31.36 3i5i s TRP 35 CO 0.05 0.48 0.04 0.54 0.96 0.00 0.00 176.95 179.02 3i5i s VAL 36 N -0.26 0.01 0.24 4.03 0.11 0.15 0.14 120.40 124.82 3i5i s VAL 36 Ca 0.13 -0.12 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 3i5i s VAL 36 Cb -0.12 -0.11 -0.12 0.00 -1.53 0.00 0.00 36.38 34.50 3i5i s VAL 36 CO 0.03 -0.07 1.67 -2.16 -3.33 0.00 0.00 175.10 171.24 3i5i s PRO 37 N -0.18 4.12 -0.19 1.54 0.04 -1.26 0.18 135.00 139.25 3i5i s PRO 37 Ca -0.02 2.59 -0.00 0.00 0.04 0.00 0.00 61.00 63.61 3i5i s PRO 37 Cb -0.02 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.52 3i5i s PRO 37 CO 0.00 -0.70 -0.05 0.34 0.04 0.00 0.00 177.00 176.63 3i5i s ASP 38 N 0.90 3.15 0.13 6.66 -1.08 0.25 -4.76 116.67 121.92 3i5i s ASP 38 Ca 0.70 -0.83 -0.31 0.00 -0.52 0.00 0.00 52.55 51.59 3i5i s ASP 38 Cb -0.49 -0.98 -0.09 0.00 -1.46 0.00 0.00 42.92 39.90 3i5i s ASP 38 CO 0.39 -0.20 1.52 -0.65 0.52 0.00 0.00 175.17 176.74 3i5i h PRO 39 N 8.08 -0.23 -0.40 4.34 0.11 -1.96 -2.52 132.00 139.41 3i5i h PRO 39 Ca -0.22 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 3i5i h PRO 39 Cb 1.10 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3i5i h PRO 39 CO 0.41 -0.16 0.15 -0.44 -0.21 0.00 0.00 178.00 177.75 3i5i h ASP 40 N -0.24 0.57 -2.04 -2.05 5.19 -2.04 -3.39 116.42 112.42 3i5i h ASP 40 Ca 0.10 -0.18 -0.56 0.00 -0.62 0.00 0.00 57.03 55.76 3i5i h ASP 40 Cb 0.50 -0.15 -0.40 0.00 0.18 0.00 0.00 39.33 39.47 3i5i h ASP 40 CO -0.69 0.60 -1.01 2.22 -3.12 0.00 0.00 179.24 177.24 3i5i n PHE 41 N -4.62 0.52 0.00 4.55 -0.00 -1.07 -4.89 117.46 111.94 3i5i n PHE 41 Ca -0.00 -3.70 0.00 0.00 -0.00 0.00 0.00 57.45 53.75 3i5i n PHE 41 Cb 0.16 -0.40 0.00 0.00 -0.00 0.00 0.00 39.48 39.24 3i5i n PHE 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i5i n GLY 42 N 1.19 1.46 3.24 4.97 0.00 -0.97 -4.56 105.19 110.51 3i5i n GLY 42 Ca 0.23 0.30 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 3i5i n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5i s PHE 43 N 0.00 1.91 0.17 1.61 0.40 -1.26 0.85 117.98 121.67 3i5i s PHE 43 Ca 0.00 -0.36 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 3i5i s PHE 43 Cb 0.00 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 3i5i s PHE 43 CO 0.00 -0.02 -0.19 0.08 0.70 0.00 0.00 175.22 175.79 3i5i s VAL 44 N -0.54 1.91 0.26 -0.44 1.01 0.48 -4.84 120.40 118.24 3i5i s VAL 44 Ca 0.08 -1.93 -0.29 0.00 0.00 0.00 0.00 61.98 59.84 3i5i s VAL 44 Cb -0.08 -1.89 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 3i5i s VAL 44 CO -0.00 -0.28 0.94 -0.83 0.00 0.00 0.00 175.10 174.93 3i5i s GLY 45 N -2.66 3.06 0.34 4.51 0.00 -1.26 0.32 107.32 111.63 3i5i s GLY 45 Ca 0.16 0.61 -0.06 0.00 0.00 0.00 0.00 44.72 45.43 3i5i s GLY 45 CO 0.07 1.15 0.56 0.00 0.00 0.00 0.00 173.10 174.88 3i5i n ALA 46 N 1.31 -0.81 -2.63 3.20 0.00 0.10 -0.81 120.51 120.88 3i5i n ALA 46 Ca -0.01 -1.38 -0.21 0.00 0.00 0.00 0.00 53.44 51.83 3i5i n ALA 46 Cb 0.48 1.11 -0.15 0.00 0.00 0.00 0.00 19.45 20.89 3i5i n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i5i s GLU 47 N -2.50 1.05 -0.12 0.00 2.02 0.86 0.93 118.70 120.93 3i5i s GLU 47 Ca 0.22 -0.45 -0.27 0.00 0.02 0.00 0.00 54.97 54.50 3i5i s GLU 47 Cb -0.02 -1.01 -0.02 0.00 0.10 0.00 0.00 34.13 33.18 3i5i s GLU 47 CO 0.16 0.26 0.89 0.42 0.02 0.00 0.00 175.26 177.02 3i5i s ILE 48 N -0.26 4.87 0.00 -1.63 1.01 -0.37 -0.92 121.20 123.90 3i5i s ILE 48 Ca 0.04 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.48 3i5i s ILE 48 Cb -0.05 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3i5i s ILE 48 CO -0.00 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.00 3i5i n GLN 49 N 4.84 0.00 -4.07 2.79 1.13 0.13 -4.92 117.38 117.28 3i5i n GLN 49 Ca 0.05 0.27 -0.11 0.00 -1.94 0.00 0.00 57.00 55.27 3i5i n GLN 49 Cb 0.49 -0.74 -0.11 0.00 0.11 0.00 0.00 30.24 29.99 3i5i n GLN 49 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3i5i s SER 50 N -2.95 0.73 0.53 1.08 1.04 -1.20 -4.99 113.70 107.94 3i5i s SER 50 Ca 0.00 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 55.76 3i5i s SER 50 Cb 0.00 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.22 3i5i s SER 50 CO 0.00 -0.32 0.14 0.41 0.98 0.00 0.00 173.24 174.44 3i5i n THR 51 N 1.03 0.00 0.00 2.02 -1.04 -1.26 -0.74 114.28 114.29 3i5i n THR 51 Ca -0.20 -2.35 0.00 0.00 -2.04 0.00 0.00 64.05 59.46 3i5i n THR 51 Cb 0.57 0.32 0.00 0.00 -1.82 0.00 0.00 70.33 69.40 3i5i n THR 51 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3i5i n LYS 52 N -1.45 0.00 0.00 -2.82 4.81 -1.26 -4.96 118.16 112.48 3i5i n LYS 52 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 3i5i n LYS 52 Cb 0.64 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.69 3i5i n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i5i n GLY 53 N 0.00 1.58 3.20 3.14 0.00 -1.26 -3.18 105.19 108.66 3i5i n GLY 53 Ca 0.00 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 3i5i n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i5i s ASP 54 N -4.00 6.50 -0.30 1.61 1.11 -1.26 -4.87 116.67 115.46 3i5i s ASP 54 Ca 0.00 -3.67 -0.15 0.00 0.18 0.00 0.00 52.55 48.91 3i5i s ASP 54 Cb 0.00 -2.02 0.18 0.00 1.07 0.00 0.00 42.92 42.15 3i5i s ASP 54 CO 0.00 -0.22 1.17 -0.70 1.18 0.00 0.00 175.17 176.59 3i5i s GLU 55 N -1.31 0.03 0.19 8.23 2.12 -1.19 -4.68 118.70 122.09 3i5i s GLU 55 Ca 0.29 0.01 -0.07 0.00 0.36 0.00 0.00 54.97 55.56 3i5i s GLU 55 Cb -0.08 0.01 -0.06 0.00 0.26 0.00 0.00 34.13 34.25 3i5i s GLU 55 CO -0.11 -0.04 0.46 0.08 -0.54 0.00 0.00 175.26 175.10 3i5i s VAL 56 N 2.72 5.07 -0.09 3.70 1.01 -0.59 -4.12 120.40 128.10 3i5i s VAL 56 Ca 0.28 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 3i5i s VAL 56 Cb 0.02 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3i5i s VAL 56 CO -0.21 -0.03 -0.02 -0.89 0.00 0.00 0.00 175.10 173.94 3i5i s THR 57 N -1.76 4.07 0.13 3.92 2.01 0.08 -1.98 115.64 122.12 3i5i s THR 57 Ca 0.44 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 3i5i s THR 57 Cb -0.12 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 3i5i s THR 57 CO 0.24 0.59 0.14 -0.69 -0.69 0.00 0.00 174.62 174.21 3i5i s VAL 58 N -0.66 0.10 -0.06 3.82 1.01 -0.75 0.19 120.40 124.05 3i5i s VAL 58 Ca 0.10 -1.66 0.03 0.00 0.00 0.00 0.00 61.98 60.46 3i5i s VAL 58 Cb -0.12 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3i5i s VAL 58 CO 0.02 -0.45 -0.14 -0.75 0.00 0.00 0.00 175.10 173.78 3i5i s LYS 59 N -4.00 1.74 0.37 2.72 2.20 -0.09 -1.70 119.74 120.97 3i5i s LYS 59 Ca 0.19 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.30 3i5i s LYS 59 Cb 0.06 -1.46 -0.03 0.00 -1.51 0.00 0.00 37.83 34.89 3i5i s LYS 59 CO -0.01 0.11 0.59 0.95 -0.36 0.00 0.00 175.35 176.64 3i5i s THR 60 N 0.40 5.07 0.00 3.43 -4.23 -0.76 -0.10 115.64 119.45 3i5i s THR 60 Ca -0.10 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 3i5i s THR 60 Cb -0.14 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.85 3i5i s THR 60 CO 0.03 -0.59 0.00 0.47 -0.54 0.00 0.00 174.62 173.99 3i5i n ASP 61 N -1.82 0.00 -0.12 3.99 8.00 0.01 -3.03 116.55 123.59 3i5i n ASP 61 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3i5i n ASP 61 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 3i5i n ASP 61 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i5i n LYS 62 N 0.00 0.00 0.00 -1.24 5.02 -1.26 -1.39 118.16 119.29 3i5i n LYS 62 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i5i n LYS 62 Cb 0.00 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 3i5i n LYS 62 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i5i n THR 63 N 0.00 0.00 -1.21 -0.18 -1.04 -1.26 -5.13 114.28 105.46 3i5i n THR 63 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i5i n THR 63 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i5i n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5i n GLN 64 N -0.14 -3.41 0.00 -2.82 1.13 -0.48 -5.06 117.38 106.60 3i5i n GLN 64 Ca 0.00 2.57 0.00 0.00 -1.94 0.00 0.00 57.00 57.63 3i5i n GLN 64 Cb 0.00 -2.97 0.00 0.00 0.11 0.00 0.00 30.24 27.38 3i5i n GLN 64 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3i5i n GLU 65 N -1.29 0.00 -3.13 -1.09 4.07 -1.26 -4.84 120.64 113.10 3i5i n GLU 65 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3i5i n GLU 65 Cb 0.09 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.41 3i5i n GLU 65 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 3i5i s THR 66 N 0.00 4.84 0.32 6.31 2.01 -1.26 -1.82 115.64 126.04 3i5i s THR 66 Ca 0.00 -0.23 0.07 0.00 0.31 0.00 0.00 61.69 61.84 3i5i s THR 66 Cb 0.00 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 3i5i s THR 66 CO 0.00 -0.73 0.30 -0.13 -0.69 0.00 0.00 174.62 173.37 3i5i s ARG 67 N 2.76 2.80 -0.51 4.92 0.52 -0.69 -4.94 118.95 123.81 3i5i s ARG 67 Ca 0.18 -1.23 -0.02 0.00 -0.52 0.00 0.00 55.73 54.15 3i5i s ARG 67 Cb -0.17 -2.53 0.13 0.00 0.52 0.00 0.00 34.95 32.90 3i5i s ARG 67 CO 0.15 0.13 0.30 0.08 0.02 0.00 0.00 175.30 175.98 3i5i s VAL 68 N -2.27 3.36 0.20 3.52 1.01 -1.26 -1.81 120.40 123.14 3i5i s VAL 68 Ca 0.40 -2.57 -0.02 0.00 0.00 0.00 0.00 61.98 59.79 3i5i s VAL 68 Cb -0.06 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3i5i s VAL 68 CO 0.27 -0.78 0.40 -0.69 0.00 0.00 0.00 175.10 174.30 3i5i s VAL 69 N 0.49 5.18 0.73 2.92 1.01 -0.84 -4.94 120.40 124.95 3i5i s VAL 69 Ca 0.13 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 3i5i s VAL 69 Cb -0.22 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.48 3i5i s VAL 69 CO -0.04 -0.14 1.10 -0.54 0.00 0.00 0.00 175.10 175.49 3i5i s LYS 70 N -3.19 2.65 0.12 2.72 1.02 -1.26 -1.54 119.74 120.25 3i5i s LYS 70 Ca 0.40 0.47 -0.24 0.00 0.02 0.00 0.00 55.97 56.62 3i5i s LYS 70 Cb -0.11 -2.00 -0.06 0.00 -0.52 0.00 0.00 37.83 35.14 3i5i s LYS 70 CO 0.28 -1.19 1.66 0.87 -0.92 0.00 0.00 175.35 176.06 3i5i h LYS 71 N -0.77 -0.29 -1.85 1.68 1.57 -1.92 -2.19 116.57 112.81 3i5i h LYS 71 Ca -0.45 0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.12 3i5i h LYS 71 Cb 1.26 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 33.55 3i5i h LYS 71 CO 0.63 -0.19 0.12 -3.47 -0.57 0.00 0.00 179.45 175.97 3i5i n ASP 72 N -5.31 5.87 0.00 0.86 -0.08 -1.26 -2.80 116.55 113.84 3i5i n ASP 72 Ca -0.05 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.46 3i5i n ASP 72 Cb 0.23 -1.18 0.00 0.00 2.34 0.00 0.00 41.12 42.51 3i5i n ASP 72 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3i5i n ASP 73 N 1.23 0.00 -4.62 1.67 8.00 -0.83 -5.03 116.55 116.96 3i5i n ASP 73 Ca 0.26 -0.38 -0.42 0.00 0.71 0.00 0.00 54.79 54.96 3i5i n ASP 73 Cb 0.62 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 3i5i n ASP 73 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3i5i s ILE 74 N 0.00 4.72 -0.20 0.53 -4.36 -1.12 -4.33 121.20 116.43 3i5i s ILE 74 Ca 0.00 1.38 -0.15 0.00 -0.26 0.00 0.00 60.65 61.63 3i5i s ILE 74 Cb 0.00 -4.22 -0.04 0.00 1.25 0.00 0.00 42.46 39.45 3i5i s ILE 74 CO 0.00 -0.29 0.34 -0.83 0.24 0.00 0.00 174.94 174.40 3i5i s GLY 75 N 1.59 2.09 0.02 6.27 0.00 0.37 -4.92 107.32 112.74 3i5i s GLY 75 Ca 0.36 -0.57 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 3i5i s GLY 75 CO 0.13 0.69 1.73 1.20 0.00 0.00 0.00 173.10 176.84 3i5i s GLN 76 N 1.13 4.18 0.29 2.90 -0.21 -1.26 0.18 119.66 126.87 3i5i s GLN 76 Ca 0.17 2.35 -0.06 0.00 0.02 0.00 0.00 55.36 57.84 3i5i s GLN 76 Cb -0.14 -3.86 -0.06 0.00 1.00 0.00 0.00 33.01 29.95 3i5i s GLN 76 CO 0.07 -0.83 0.57 0.50 -2.12 0.00 0.00 175.29 173.48 3i5i s ARG 77 N 3.55 3.67 0.31 2.91 3.52 -1.26 -4.70 118.95 126.94 3i5i s ARG 77 Ca 0.77 0.08 -0.22 0.00 -0.13 0.00 0.00 55.73 56.23 3i5i s ARG 77 Cb -0.38 -2.63 -0.09 0.00 -1.56 0.00 0.00 34.95 30.28 3i5i s ARG 77 CO 0.33 0.21 0.86 -0.80 -0.81 0.00 0.00 175.30 175.10 3i5i s ASN 78 N -3.03 7.15 0.82 -2.12 -0.87 -1.26 -4.95 114.94 110.68 3i5i s ASN 78 Ca 0.45 1.64 -0.11 0.00 -1.57 0.00 0.00 52.86 53.27 3i5i s ASN 78 Cb -0.11 -2.51 0.08 0.00 -0.02 0.00 0.00 41.25 38.70 3i5i s ASN 78 CO 0.29 -0.09 1.09 -2.16 -2.57 0.00 0.00 177.10 173.66 3i5i s PRO 79 N -2.27 1.90 0.38 -0.60 0.04 -1.26 -4.91 135.00 128.28 3i5i s PRO 79 Ca 0.50 0.90 0.19 0.00 0.04 0.00 0.00 61.00 62.63 3i5i s PRO 79 Cb -0.16 -1.88 1.17 0.00 0.04 0.00 0.00 34.50 33.68 3i5i s PRO 79 CO 0.21 -1.82 1.68 -1.35 0.04 0.00 0.00 177.00 175.76 3i5i h PRO 80 N -1.24 0.28 -0.24 0.56 0.11 -1.91 -0.85 132.00 128.71 3i5i h PRO 80 Ca -0.47 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3i5i h PRO 80 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3i5i h PRO 80 CO 0.55 0.18 0.48 -0.22 -0.21 0.00 0.00 178.00 178.78 3i5i h LYS 81 N 0.28 0.00 -0.01 1.05 3.64 -1.91 -1.13 116.57 118.49 3i5i h LYS 81 Ca 0.72 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.10 3i5i h LYS 81 Cb 1.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 3i5i h LYS 81 CO -0.49 0.00 -0.31 1.19 -2.27 0.00 0.00 179.45 177.58 3i5i n PHE 82 N -3.24 0.00 -2.04 1.91 3.01 -0.32 -4.89 117.46 111.88 3i5i n PHE 82 Ca 0.04 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.09 3i5i n PHE 82 Cb 0.60 -0.06 -0.01 0.00 -0.01 0.00 0.00 39.48 39.99 3i5i n PHE 82 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i5i s GLU 83 N -2.42 4.26 -1.11 -1.08 0.41 -0.43 -1.80 118.70 116.53 3i5i s GLU 83 Ca 0.23 2.29 0.00 0.00 -0.41 0.00 0.00 54.97 57.09 3i5i s GLU 83 Cb 0.19 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.53 3i5i s GLU 83 CO 0.51 -0.30 0.00 -1.33 -0.49 0.00 0.00 175.26 173.65 3i5i n MET 84 N 0.65 -1.41 -1.49 1.61 2.81 -1.26 -4.84 117.12 113.18 3i5i n MET 84 Ca 0.01 0.84 -0.43 0.00 -1.81 0.00 0.00 57.70 56.30 3i5i n MET 84 Cb 0.41 -5.09 -0.00 0.00 -0.71 0.00 0.00 33.22 27.83 3i5i n MET 84 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3i5i n ASN 85 N -0.84 -0.25 0.03 7.83 4.05 -0.75 -4.94 115.26 120.39 3i5i n ASN 85 Ca -0.10 1.01 -0.13 0.00 0.45 0.00 0.00 54.58 55.81 3i5i n ASN 85 Cb 0.51 -1.15 -0.14 0.00 1.23 0.00 0.00 39.78 40.23 3i5i n ASN 85 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 3i5i h MET 86 N 1.16 0.12 -3.80 1.20 2.86 -1.90 -3.45 114.93 111.12 3i5i h MET 86 Ca -0.39 -0.20 -0.51 0.00 -2.06 0.00 0.00 59.70 56.54 3i5i h MET 86 Cb 1.39 0.08 -0.39 0.00 0.06 0.00 0.00 31.60 32.73 3i5i h MET 86 CO 0.55 0.88 -0.77 0.34 1.06 0.00 0.00 176.91 178.97 3i5i s ASP 87 N -6.62 2.61 0.00 1.22 -1.08 -1.25 -1.00 116.67 110.55 3i5i s ASP 87 Ca -0.07 -0.62 0.06 0.00 -0.52 0.00 0.00 52.55 51.41 3i5i s ASP 87 Cb 0.08 -0.68 0.30 0.00 -1.46 0.00 0.00 42.92 41.16 3i5i s ASP 87 CO 0.83 -0.24 1.08 0.23 0.52 0.00 0.00 175.17 177.59 3i5i n MET 88 N 5.01 0.07 -0.06 4.34 2.81 0.22 -1.19 117.12 128.31 3i5i n MET 88 Ca -0.10 0.27 -0.05 0.00 -1.81 0.00 0.00 57.70 56.01 3i5i n MET 88 Cb 0.48 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.63 3i5i n MET 88 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i5i h ALA 89 N 2.27 1.00 0.00 3.04 0.00 -1.92 -2.25 119.26 121.40 3i5i h ALA 89 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3i5i h ALA 89 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i5i h ALA 89 CO 0.00 0.59 0.00 0.09 0.00 0.00 0.00 179.25 179.93 3i5i n ASN 90 N -4.14 0.31 -4.74 0.00 3.02 -0.34 -4.53 115.26 104.84 3i5i n ASN 90 Ca 0.00 0.56 -0.40 0.00 -0.03 0.00 0.00 54.58 54.72 3i5i n ASN 90 Cb 0.39 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 38.96 3i5i n ASN 90 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i5i n LEU 91 N -1.83 5.05 0.08 3.41 4.77 -0.85 -4.90 117.00 122.74 3i5i n LEU 91 Ca 0.04 1.05 0.04 0.00 -0.03 0.00 0.00 56.01 57.11 3i5i n LEU 91 Cb 0.24 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.73 3i5i n LEU 91 CO 0.19 -0.46 0.01 0.00 -1.33 0.00 0.00 177.39 175.81 3i5i h THR 92 N 1.87 0.45 -3.16 -5.08 1.03 -1.89 -3.42 112.91 102.70 3i5i h THR 92 Ca -0.50 -1.79 -0.67 0.00 -0.01 0.00 0.00 66.41 63.44 3i5i h THR 92 Cb 1.29 2.01 -0.33 0.00 -1.07 0.00 0.00 68.15 70.05 3i5i h THR 92 CO 0.59 0.26 -0.82 -0.36 -0.01 0.00 0.00 175.52 175.18 3i5i s PHE 93 N -3.04 2.84 -0.65 0.00 2.99 -1.26 -1.65 117.98 117.21 3i5i s PHE 93 Ca -0.00 -1.47 0.00 0.00 0.00 0.00 0.00 56.93 55.46 3i5i s PHE 93 Cb 0.08 -1.97 0.41 0.00 0.00 0.00 0.00 43.02 41.54 3i5i s PHE 93 CO 0.78 -0.74 1.77 1.28 -0.00 0.00 0.00 175.22 178.31 3i5i n LEU 94 N 4.66 6.79 -4.97 -0.37 4.77 -1.26 -4.84 117.00 121.78 3i5i n LEU 94 Ca -0.20 -4.71 -0.21 0.00 -0.03 0.00 0.00 56.01 50.86 3i5i n LEU 94 Cb 0.50 -0.84 0.02 0.00 -2.33 0.00 0.00 43.42 40.77 3i5i n LEU 94 CO 0.27 1.79 0.30 0.54 -1.33 0.00 0.00 177.39 178.96 3i5i s ASN 95 N -2.07 5.52 0.12 -1.43 2.20 -1.26 -4.88 114.94 113.14 3i5i s ASN 95 Ca 0.56 0.02 -0.33 0.00 -0.94 0.00 0.00 52.86 52.16 3i5i s ASN 95 Cb 0.45 -1.06 -0.12 0.00 -2.00 0.00 0.00 41.25 38.52 3i5i s ASN 95 CO -0.18 -0.93 1.54 -0.33 -2.94 0.00 0.00 177.10 174.25 3i5i h GLU 96 N 0.27 -0.53 -0.83 3.55 5.08 -1.98 0.27 114.58 120.41 3i5i h GLU 96 Ca -0.43 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.04 3i5i h GLU 96 Cb 1.28 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.55 3i5i h GLU 96 CO 0.53 -0.35 -0.49 0.00 -1.00 0.00 0.00 179.01 177.70 3i5i n ALA 97 N -3.01 -0.53 -0.19 3.43 0.00 -1.26 0.07 120.51 119.02 3i5i n ALA 97 Ca -0.06 0.71 0.09 0.00 0.00 0.00 0.00 53.44 54.18 3i5i n ALA 97 Cb 0.37 -0.05 0.39 0.00 0.00 0.00 0.00 19.45 20.16 3i5i n ALA 97 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3i5i h SER 98 N 0.00 0.60 0.38 0.00 0.02 -1.54 -0.16 113.55 112.86 3i5i h SER 98 Ca 0.13 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.94 3i5i h SER 98 Cb 0.34 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3i5i h SER 98 CO -0.78 0.37 -0.63 0.40 -1.14 0.00 0.00 176.83 175.04 3i5i h ILE 99 N 0.67 1.40 0.03 3.27 1.08 0.31 -2.77 117.51 121.50 3i5i h ILE 99 Ca 0.34 -2.04 -0.00 0.00 -0.39 0.00 0.00 64.86 62.77 3i5i h ILE 99 Cb 0.43 2.04 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 3i5i h ILE 99 CO -0.12 0.60 -0.01 0.25 -0.69 0.00 0.00 178.15 178.18 3i5i h LEU 100 N 0.17 -0.03 0.00 1.44 5.85 0.12 -2.96 115.31 119.91 3i5i h LEU 100 Ca -0.01 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3i5i h LEU 100 Cb 1.15 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3i5i h LEU 100 CO 0.10 0.04 0.00 1.57 -0.34 0.00 0.00 178.44 179.80 3i5i n HIS 101 N -5.08 0.00 -0.33 1.25 -0.00 -0.24 -0.59 115.22 110.23 3i5i n HIS 101 Ca -0.07 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.14 3i5i n HIS 101 Cb 0.07 -0.49 0.10 0.00 -0.12 0.00 0.00 29.99 29.55 3i5i n HIS 101 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 3i5i n ASN 102 N -2.22 -0.40 -0.14 0.26 4.05 -1.05 0.26 115.26 116.02 3i5i n ASN 102 Ca 0.00 1.57 -0.10 0.00 0.45 0.00 0.00 54.58 56.51 3i5i n ASN 102 Cb 0.00 -0.45 -0.01 0.00 1.23 0.00 0.00 39.78 40.55 3i5i n ASN 102 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3i5i h LEU 103 N 0.00 0.63 0.14 1.20 3.38 -1.43 -2.88 115.31 116.36 3i5i h LEU 103 Ca 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3i5i h LEU 103 Cb 0.63 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3i5i h LEU 103 CO -0.93 0.72 -0.07 -0.09 0.09 0.00 0.00 178.44 178.16 3i5i h ARG 104 N 0.51 -0.19 0.00 1.13 2.43 0.23 -1.93 114.38 116.57 3i5i h ARG 104 Ca 0.12 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3i5i h ARG 104 Cb 0.35 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3i5i h ARG 104 CO 0.01 -0.12 0.79 0.66 -1.51 0.00 0.00 179.97 179.79 3i5i h SER 105 N -0.23 0.00 0.48 -3.80 4.64 -0.89 1.16 113.55 114.92 3i5i h SER 105 Ca -0.02 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.07 3i5i h SER 105 Cb 0.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 3i5i h SER 105 CO 0.03 0.00 -1.70 0.54 -0.87 0.00 0.00 176.83 174.83 3i5i n ARG 106 N -2.55 0.64 0.09 4.77 1.74 -1.09 -3.69 116.66 116.57 3i5i n ARG 106 Ca -0.01 0.19 -0.16 0.00 -0.77 0.00 0.00 57.85 57.10 3i5i n ARG 106 Cb 0.81 -1.74 -0.10 0.00 -1.02 0.00 0.00 32.46 30.41 3i5i n ARG 106 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3i5i h TYR 107 N 0.00 0.61 0.00 -1.55 3.20 0.21 1.05 116.97 120.48 3i5i h TYR 107 Ca -0.26 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.23 3i5i h TYR 107 Cb 1.80 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.02 3i5i h TYR 107 CO 0.00 1.25 0.00 0.39 -1.64 0.00 0.00 178.16 178.16 3i5i n GLU 108 N -3.66 0.82 -0.87 1.82 1.02 0.27 -2.18 120.64 117.86 3i5i n GLU 108 Ca -0.08 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3i5i n GLU 108 Cb 0.94 -1.12 0.07 0.00 -0.02 0.00 0.00 31.44 31.31 3i5i n GLU 108 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i5i n SER 109 N -0.62 1.10 0.00 1.62 7.64 -1.21 -4.98 113.62 117.17 3i5i n SER 109 Ca 0.05 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.36 3i5i n SER 109 Cb 0.02 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 3i5i n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5i n GLY 110 N -0.24 1.53 3.63 0.23 0.00 -0.93 -5.02 105.19 104.39 3i5i n GLY 110 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3i5i n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5i s PHE 111 N -3.44 3.30 -1.28 1.61 0.40 0.36 -4.87 117.98 114.05 3i5i s PHE 111 Ca 0.00 0.52 0.23 0.00 -0.60 0.00 0.00 56.93 57.09 3i5i s PHE 111 Cb 0.00 -2.58 0.21 0.00 0.51 0.00 0.00 43.02 41.17 3i5i s PHE 111 CO 0.00 -0.16 1.21 0.44 0.70 0.00 0.00 175.22 177.42 3i5i n ILE 112 N 4.84 0.00 -4.61 0.64 -5.35 -1.26 -2.09 119.36 111.53 3i5i n ILE 112 Ca -0.08 -0.06 -0.34 0.00 -0.27 0.00 0.00 62.75 62.01 3i5i n ILE 112 Cb 0.51 0.69 -0.12 0.00 -1.74 0.00 0.00 39.64 38.97 3i5i n ILE 112 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3i5i s TYR 113 N -2.84 2.92 -0.28 4.28 4.12 -1.26 0.30 117.35 124.60 3i5i s TYR 113 Ca 0.13 -0.17 -0.05 0.00 0.02 0.00 0.00 57.07 57.00 3i5i s TYR 113 Cb 0.17 -1.79 0.15 0.00 -1.52 0.00 0.00 41.96 38.97 3i5i s TYR 113 CO 0.71 0.14 0.55 0.99 0.02 0.00 0.00 175.55 177.97 3i5i s THR 114 N -0.33 -0.89 0.42 -0.71 2.01 -0.86 -4.89 115.64 110.40 3i5i s THR 114 Ca 0.04 0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.83 3i5i s THR 114 Cb -0.13 -0.92 -0.09 0.00 0.01 0.00 0.00 72.50 71.37 3i5i s THR 114 CO 0.02 -0.01 1.05 -0.31 -0.69 0.00 0.00 174.62 174.68 3i5i s TYR 115 N 2.79 3.20 -0.25 4.92 4.12 -0.17 -2.12 117.35 129.83 3i5i s TYR 115 Ca 0.08 1.62 -0.03 0.00 0.02 0.00 0.00 57.07 58.77 3i5i s TYR 115 Cb -0.14 -3.12 0.11 0.00 -1.52 0.00 0.00 41.96 37.29 3i5i s TYR 115 CO -0.18 -0.70 0.23 0.45 0.02 0.00 0.00 175.55 175.37 3i5i s SER 116 N -1.65 1.90 0.64 2.29 0.15 -1.06 0.70 113.70 116.67 3i5i s SER 116 Ca 0.60 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.62 3i5i s SER 116 Cb -0.21 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 3i5i s SER 116 CO 0.26 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.94 3i5i n GLY 117 N 5.30 2.11 0.36 9.45 0.00 -1.26 -0.91 105.19 120.24 3i5i n GLY 117 Ca -0.04 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.71 3i5i n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5i h LEU 118 N 0.00 0.50-10.16 0.99 3.38 -1.98 -3.44 115.31 104.60 3i5i h LEU 118 Ca 0.00 0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.44 3i5i h LEU 118 Cb 0.00 -0.08 0.18 0.00 0.09 0.00 0.00 40.66 40.84 3i5i h LEU 118 CO 0.00 0.28 0.38 0.49 0.09 0.00 0.00 178.44 179.68 3i5i n PHE 119 N -4.49 1.46 -3.85 1.13 0.99 -0.09 -4.53 117.46 108.08 3i5i n PHE 119 Ca 0.13 0.41 -0.30 0.00 -0.00 0.00 0.00 57.45 57.69 3i5i n PHE 119 Cb 0.41 -2.16 -0.15 0.00 -1.00 0.00 0.00 39.48 36.58 3i5i n PHE 119 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i5i s ILE 121 N 1.34 4.33 -0.17 0.00 1.01 -0.90 -1.72 121.20 125.08 3i5i s ILE 121 Ca 0.09 1.64 -0.04 0.00 0.00 0.00 0.00 60.65 62.34 3i5i s ILE 121 Cb -0.18 -3.95 0.08 0.00 0.01 0.00 0.00 42.46 38.43 3i5i s ILE 121 CO -0.18 0.15 0.24 0.00 0.00 0.00 0.00 174.94 175.15 3i5i s ALA 122 N -1.61 -0.42 0.26 9.38 0.00 -0.30 -2.02 121.76 127.06 3i5i s ALA 122 Ca 0.48 0.55 -0.07 0.00 0.00 0.00 0.00 51.96 52.92 3i5i s ALA 122 Cb -0.18 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.66 3i5i s ALA 122 CO 0.22 -0.98 0.56 0.42 0.00 0.00 0.00 175.76 175.98 3i5i s ILE 123 N 2.37 4.97 -0.11 0.00 1.01 0.15 -1.87 121.20 127.72 3i5i s ILE 123 Ca 0.05 0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 3i5i s ILE 123 Cb -0.14 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3i5i s ILE 123 CO -0.11 -0.20 1.34 0.21 0.00 0.00 0.00 174.94 176.18 3i5i s ASN 124 N -2.76 6.90 0.20 3.58 3.84 -1.01 -4.80 114.94 120.89 3i5i s ASN 124 Ca 0.46 1.86 0.23 0.00 0.21 0.00 0.00 52.86 55.63 3i5i s ASN 124 Cb -0.11 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.27 3i5i s ASN 124 CO 0.26 -0.76 1.27 1.55 -2.79 0.00 0.00 177.10 176.62 3i5i h PRO 125 N 8.29 0.00 -5.89 0.43 0.13 -1.94 -3.44 132.00 129.57 3i5i h PRO 125 Ca -0.31 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.63 3i5i h PRO 125 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3i5i h PRO 125 CO 0.95 0.00 -0.43 0.66 -0.23 0.00 0.00 178.00 178.95 3i5i n TYR 126 N -2.49 -2.61 0.00 1.56 0.53 -1.26 -4.41 117.16 108.47 3i5i n TYR 126 Ca 0.02 1.01 0.00 0.00 -1.02 0.00 0.00 57.90 57.91 3i5i n TYR 126 Cb 0.50 -3.61 0.00 0.00 -1.03 0.00 0.00 39.34 35.19 3i5i n TYR 126 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3i5i n ARG 127 N -2.16 0.00 -2.37 -0.72 1.85 -1.26 -4.63 116.66 107.37 3i5i n ARG 127 Ca -0.12 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.38 3i5i n ARG 127 Cb 0.57 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.97 3i5i n ARG 127 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3i5i s ARG 128 N -1.73 3.69 0.06 2.89 0.52 -1.26 -5.03 118.95 118.08 3i5i s ARG 128 Ca 0.00 1.58 0.01 0.00 -0.52 0.00 0.00 55.73 56.80 3i5i s ARG 128 Cb 0.00 -2.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.23 3i5i s ARG 128 CO 0.00 -0.57 -0.06 -0.51 0.02 0.00 0.00 175.30 174.18 3i5i s LEU 129 N -3.36 2.39 0.37 2.53 1.43 -1.26 -5.07 118.68 115.72 3i5i s LEU 129 Ca 0.67 -0.79 0.09 0.00 -1.03 0.00 0.00 54.13 53.06 3i5i s LEU 129 Cb -0.23 -0.04 0.83 0.00 0.03 0.00 0.00 46.19 46.78 3i5i s LEU 129 CO 0.27 -0.38 1.92 1.55 0.23 0.00 0.00 176.35 179.94 3i5i h PRO 130 N 3.70 0.64 0.00 1.29 0.13 -1.96 -3.39 132.00 132.42 3i5i h PRO 130 Ca -0.35 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3i5i h PRO 130 Cb 1.18 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3i5i h PRO 130 CO 0.54 0.42 0.00 -0.89 -0.23 0.00 0.00 178.00 177.84 3i5i n ILE 131 N -4.51 0.00 -2.97 -3.56 5.41 -1.26 -3.49 119.36 108.98 3i5i n ILE 131 Ca 0.14 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.55 3i5i n ILE 131 Cb 0.37 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.28 3i5i n ILE 131 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3i5i n TYR 132 N -1.02 3.27 -3.83 1.39 4.02 -1.26 -4.93 117.16 114.79 3i5i n TYR 132 Ca 0.00 -3.36 -0.25 0.00 -0.01 0.00 0.00 57.90 54.28 3i5i n TYR 132 Cb 0.00 -0.85 -0.03 0.00 -0.02 0.00 0.00 39.34 38.44 3i5i n TYR 132 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3i5i s THR 133 N -3.70 5.26 -1.21 -0.72 2.01 -1.23 -4.98 115.64 111.07 3i5i s THR 133 Ca 0.41 -0.62 0.28 0.00 0.31 0.00 0.00 61.69 62.07 3i5i s THR 133 Cb 0.18 -3.77 0.28 0.00 0.01 0.00 0.00 72.50 69.21 3i5i s THR 133 CO -0.06 -0.19 1.82 0.00 -0.69 0.00 0.00 174.62 175.50 3i5i n GLN 134 N -0.81 0.22 0.09 4.92 6.02 -1.26 -1.11 117.38 125.46 3i5i n GLN 134 Ca -0.06 -0.06 -0.23 0.00 -0.01 0.00 0.00 57.00 56.63 3i5i n GLN 134 Cb 0.55 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.16 3i5i n GLN 134 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3i5i h GLY 135 N 4.99 0.49 0.73 1.08 0.00 -2.00 -3.19 103.07 105.18 3i5i h GLY 135 Ca 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 47.33 46.05 3i5i h GLY 135 CO 0.00 1.10 -0.03 1.41 0.00 0.00 0.00 176.54 179.02 3i5i h LEU 136 N 0.08 0.24 -0.86 3.11 3.38 -1.89 -2.45 115.31 116.92 3i5i h LEU 136 Ca -0.32 -0.37 0.29 0.00 0.09 0.00 0.00 57.88 57.57 3i5i h LEU 136 Cb 2.09 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 42.62 3i5i h LEU 136 CO 0.20 0.56 0.20 0.52 0.09 0.00 0.00 178.44 180.00 3i5i n VAL 137 N -4.73 -0.36 0.18 1.22 0.31 -0.27 0.34 118.33 115.02 3i5i n VAL 137 Ca -0.06 1.82 0.06 0.00 -0.01 0.00 0.00 64.34 66.15 3i5i n VAL 137 Cb 0.25 -2.78 0.21 0.00 -0.91 0.00 0.00 33.84 30.60 3i5i n VAL 137 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3i5i h ASP 138 N 0.00 0.00 1.07 4.52 3.32 -1.43 0.52 116.42 124.42 3i5i h ASP 138 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 3i5i h ASP 138 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 3i5i h ASP 138 CO -0.75 0.35 0.00 0.11 -1.72 0.00 0.00 179.24 177.24 3i5i h LYS 139 N 0.00 0.00 0.00 3.56 1.57 0.61 -3.21 116.57 119.10 3i5i h LYS 139 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3i5i h LYS 139 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 3i5i h LYS 139 CO 0.05 0.00 -1.80 0.66 -0.57 0.00 0.00 179.45 177.78 3i5i n TYR 140 N -2.83 0.00 -1.67 -1.35 4.02 0.45 -4.89 117.16 110.88 3i5i n TYR 140 Ca 0.02 0.00 -0.52 0.00 -0.01 0.00 0.00 57.90 57.38 3i5i n TYR 140 Cb 0.32 -0.53 -0.06 0.00 -0.02 0.00 0.00 39.34 39.05 3i5i n TYR 140 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3i5i n ARG 141 N -2.30 1.56 -0.83 -0.72 3.00 0.18 -2.14 116.66 115.41 3i5i n ARG 141 Ca -0.14 0.57 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 3i5i n ARG 141 Cb 0.72 -2.30 0.00 0.00 0.00 0.00 0.00 32.46 30.88 3i5i n ARG 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i5i n GLY 142 N 3.84 0.61 3.84 5.14 0.00 -1.26 -4.99 105.19 112.37 3i5i n GLY 142 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 3i5i n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5i s LYS 143 N -0.39 4.05 0.11 1.61 1.02 -0.91 -5.06 119.74 120.16 3i5i s LYS 143 Ca 0.00 0.59 -0.22 0.00 0.02 0.00 0.00 55.97 56.35 3i5i s LYS 143 Cb 0.00 -2.94 -0.07 0.00 -0.52 0.00 0.00 37.83 34.30 3i5i s LYS 143 CO 0.00 0.47 0.68 -0.98 -0.92 0.00 0.00 175.35 174.60 3i5i s ARG 144 N -1.91 4.39 0.16 1.68 1.70 -1.26 -4.77 118.95 118.94 3i5i s ARG 144 Ca 0.38 0.95 0.09 0.00 -0.47 0.00 0.00 55.73 56.69 3i5i s ARG 144 Cb -0.16 -3.27 0.57 0.00 -0.57 0.00 0.00 34.95 31.52 3i5i s ARG 144 CO 0.19 0.56 0.65 -2.13 -1.08 0.00 0.00 175.30 173.50 3i5i n ARG 145 N 1.81 -0.02 0.17 3.89 0.63 -1.26 -0.84 116.66 121.04 3i5i n ARG 145 Ca -0.07 0.56 0.04 0.00 -0.92 0.00 0.00 57.85 57.45 3i5i n ARG 145 Cb 0.50 -1.02 0.28 0.00 0.45 0.00 0.00 32.46 32.66 3i5i n ARG 145 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i5i h ALA 146 N 0.80 0.96 -0.26 5.13 0.00 -1.98 -3.24 119.26 120.68 3i5i h ALA 146 Ca 0.35 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3i5i h ALA 146 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3i5i h ALA 146 CO -0.30 0.55 0.18 0.93 0.00 0.00 0.00 179.25 180.61 3i5i h GLU 147 N 0.00 0.16 -5.25 0.00 5.08 -1.23 -3.39 114.58 109.94 3i5i h GLU 147 Ca -0.00 -0.01 -0.59 0.00 -1.00 0.00 0.00 59.36 57.76 3i5i h GLU 147 Cb 0.98 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.06 3i5i h GLU 147 CO 0.06 0.10 -0.55 -1.64 -1.00 0.00 0.00 179.01 175.98 3i5i s MET 148 N -5.19 1.95 0.77 2.33 -1.94 -1.22 -3.58 119.30 112.42 3i5i s MET 148 Ca -0.06 -2.17 -0.07 0.00 -1.71 0.00 0.00 55.69 51.67 3i5i s MET 148 Cb 0.18 -1.15 0.11 0.00 2.01 0.00 0.00 34.83 35.98 3i5i s MET 148 CO 0.70 -0.29 1.08 -2.14 -0.01 0.00 0.00 175.02 174.36 3i5i s PRO 149 N -3.80 1.69 0.21 2.03 0.02 -1.26 -4.95 135.00 128.93 3i5i s PRO 149 Ca 0.23 -0.52 -0.32 0.00 0.02 0.00 0.00 61.00 60.41 3i5i s PRO 149 Cb 0.05 -2.14 -0.14 0.00 0.02 0.00 0.00 34.50 32.30 3i5i s PRO 149 CO 0.12 -1.57 1.45 -2.30 -0.33 0.00 0.00 177.00 174.37 3i5i n PRO 150 N -3.10 2.01 -3.64 5.54 -0.02 -1.26 -4.94 135.00 129.60 3i5i n PRO 150 Ca 0.11 0.72 -0.10 0.00 -2.02 0.00 0.00 63.50 62.21 3i5i n PRO 150 Cb 0.60 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 3i5i n PRO 150 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i5i s HIS 151 N 0.26 -0.55 0.42 6.00 2.46 -1.26 -4.87 115.29 117.74 3i5i s HIS 151 Ca 0.72 1.33 0.15 0.00 0.47 0.00 0.00 55.06 57.73 3i5i s HIS 151 Cb -0.68 0.34 1.02 0.00 -0.13 0.00 0.00 32.58 33.13 3i5i s HIS 151 CO 0.46 -0.26 1.91 1.25 -2.47 0.00 0.00 174.74 175.63 3i5i h LEU 152 N 4.39 0.43 -1.43 8.88 5.85 -1.95 0.14 115.31 131.62 3i5i h LEU 152 Ca -0.28 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3i5i h LEU 152 Cb 1.17 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3i5i h LEU 152 CO 0.09 0.22 0.21 -0.26 -0.34 0.00 0.00 178.44 178.36 3i5i h PHE 153 N 0.46 0.58 -0.85 1.25 0.05 -1.97 -2.59 116.94 113.86 3i5i h PHE 153 Ca 0.38 -0.01 0.04 0.00 3.82 0.00 0.00 57.97 62.21 3i5i h PHE 153 Cb 0.84 -0.19 -0.05 0.00 2.00 0.00 0.00 35.95 38.55 3i5i h PHE 153 CO -0.00 0.43 0.54 0.66 -0.18 0.00 0.00 178.31 179.75 3i5i h SER 154 N 0.59 0.87 0.90 2.17 4.64 -1.32 -0.64 113.55 120.76 3i5i h SER 154 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3i5i h SER 154 Cb 0.06 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3i5i h SER 154 CO -0.02 0.58 0.00 -0.38 -0.87 0.00 0.00 176.83 176.14 3i5i n ILE 155 N -4.59 0.77 -0.04 0.95 5.41 -0.98 -2.29 119.36 118.60 3i5i n ILE 155 Ca 0.11 0.12 -0.20 0.00 1.00 0.00 0.00 62.75 63.78 3i5i n ILE 155 Cb 0.12 -1.05 -0.13 0.00 -0.71 0.00 0.00 39.64 37.87 3i5i n ILE 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i5i n ALA 156 N -1.79 1.09 -0.28 -1.39 0.00 -0.40 -2.30 120.51 115.44 3i5i n ALA 156 Ca 0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 53.44 52.65 3i5i n ALA 156 Cb 0.28 -0.49 0.09 0.00 0.00 0.00 0.00 19.45 19.32 3i5i n ALA 156 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3i5i h ASP 157 N 0.05 1.07 -0.31 0.00 1.82 -1.20 0.65 116.42 118.50 3i5i h ASP 157 Ca -0.47 -0.15 -0.09 0.00 -0.39 0.00 0.00 57.03 55.93 3i5i h ASP 157 Cb 2.00 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.72 3i5i h ASP 157 CO 0.03 0.93 -0.15 0.78 -1.61 0.00 0.00 179.24 179.22 3i5i h ASN 158 N 1.15 0.68 -0.55 2.28 2.35 -1.60 0.81 115.58 120.69 3i5i h ASN 158 Ca 0.27 -0.41 0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3i5i h ASN 158 Cb 0.17 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3i5i h ASN 158 CO -0.03 0.94 0.37 0.00 -1.65 0.00 0.00 177.43 177.06 3i5i h ALA 159 N 0.76 1.84 -0.06 -0.83 0.00 -0.98 0.16 119.26 120.15 3i5i h ALA 159 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3i5i h ALA 159 Cb 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i5i h ALA 159 CO 0.05 0.07 -0.21 -0.92 0.00 0.00 0.00 179.25 178.24 3i5i h TYR 160 N 0.53 0.33 -0.48 0.00 3.20 0.14 -2.57 116.97 118.12 3i5i h TYR 160 Ca 0.24 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3i5i h TYR 160 Cb 0.26 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3i5i h TYR 160 CO -0.00 0.83 0.22 1.96 -1.64 0.00 0.00 178.16 179.53 3i5i h GLN 161 N -0.26 0.70 -0.63 1.82 4.20 0.14 -2.50 115.11 118.57 3i5i h GLN 161 Ca -0.01 -0.11 0.07 0.00 0.06 0.00 0.00 58.65 58.66 3i5i h GLN 161 Cb 0.84 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.45 3i5i h GLN 161 CO 0.04 0.61 0.32 1.88 -0.67 0.00 0.00 178.83 181.01 3i5i h TYR 162 N 0.63 0.58 -0.79 2.96 0.99 -0.78 0.95 116.97 121.51 3i5i h TYR 162 Ca 0.16 0.03 0.20 0.00 2.00 0.00 0.00 58.73 61.12 3i5i h TYR 162 Cb 0.15 -0.17 -0.04 0.00 1.00 0.00 0.00 36.73 37.67 3i5i h TYR 162 CO -0.00 0.25 0.55 1.98 -0.00 0.00 0.00 178.16 180.93 3i5i h MET 163 N 0.58 0.19 0.13 4.88 4.05 -1.02 0.91 114.93 124.65 3i5i h MET 163 Ca 0.29 -0.01 -0.36 0.00 -0.28 0.00 0.00 59.70 59.34 3i5i h MET 163 Cb 0.24 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 3i5i h MET 163 CO -0.21 0.13 -1.98 1.28 0.23 0.00 0.00 176.91 176.35 3i5i n LEU 164 N -4.40 2.63 -0.16 3.39 4.77 0.91 -2.05 117.00 122.08 3i5i n LEU 164 Ca 0.16 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.28 3i5i n LEU 164 Cb 0.73 -1.12 0.07 0.00 -2.33 0.00 0.00 43.42 40.76 3i5i n LEU 164 CO 0.35 0.85 0.81 1.56 -1.33 0.00 0.00 177.39 179.63 3i5i h GLN 165 N 0.06 0.95 -0.12 3.23 4.20 0.14 -3.25 115.11 120.33 3i5i h GLN 165 Ca -0.42 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 57.98 3i5i h GLN 165 Cb 2.03 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.72 3i5i h GLN 165 CO 0.09 0.97 0.00 -0.25 -0.67 0.00 0.00 178.83 178.96 3i5i n ASP 166 N -4.17 2.12 -4.13 1.46 8.00 0.25 -4.99 116.55 115.09 3i5i n ASP 166 Ca 0.02 -1.73 -0.32 0.00 0.71 0.00 0.00 54.79 53.47 3i5i n ASP 166 Cb 0.35 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 3i5i n ASP 166 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i5i n ARG 167 N 0.13 -3.16 -4.62 -1.24 1.74 -0.87 -4.94 116.66 103.69 3i5i n ARG 167 Ca 0.05 0.37 -0.30 0.00 -0.77 0.00 0.00 57.85 57.20 3i5i n ARG 167 Cb 0.27 -4.85 -0.13 0.00 -1.02 0.00 0.00 32.46 26.74 3i5i n ARG 167 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3i5i s GLU 168 N -6.82 1.97 0.43 5.56 2.02 -1.20 -5.03 118.70 115.62 3i5i s GLU 168 Ca 0.46 -1.04 -0.25 0.00 0.02 0.00 0.00 54.97 54.16 3i5i s GLU 168 Cb -0.25 -2.14 -0.08 0.00 0.10 0.00 0.00 34.13 31.76 3i5i s GLU 168 CO 0.92 0.52 1.27 -0.80 0.02 0.00 0.00 175.26 177.19 3i5i s ASN 169 N -1.55 6.22 0.22 -0.19 0.01 -1.26 -4.29 114.94 114.11 3i5i s ASN 169 Ca 0.15 2.57 0.12 0.00 -0.71 0.00 0.00 52.86 54.98 3i5i s ASN 169 Cb -0.10 -2.63 -0.05 0.00 0.41 0.00 0.00 41.25 38.88 3i5i s ASN 169 CO 0.06 -0.90 -0.23 -1.10 -1.51 0.00 0.00 177.10 173.42 3i5i s GLN 170 N -2.38 1.57 0.04 -0.60 -1.52 0.23 -1.58 119.66 115.42 3i5i s GLN 170 Ca 0.59 -1.61 0.03 0.00 -1.95 0.00 0.00 55.36 52.42 3i5i s GLN 170 Cb -0.36 -1.81 -0.02 0.00 -0.22 0.00 0.00 33.01 30.60 3i5i s GLN 170 CO 0.45 0.37 -0.09 -1.54 -0.25 0.00 0.00 175.29 174.24 3i5i s SER 171 N -2.96 0.97 -0.17 5.90 1.04 -0.63 -0.10 113.70 117.75 3i5i s SER 171 Ca 0.24 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3i5i s SER 171 Cb -0.07 0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.09 3i5i s SER 171 CO 0.11 -0.14 -0.09 -0.04 0.98 0.00 0.00 173.24 174.06 3i5i s MET 172 N -1.40 1.87 -0.38 4.02 -1.94 0.21 -1.81 119.30 119.87 3i5i s MET 172 Ca -0.07 -0.65 -0.14 0.00 -1.71 0.00 0.00 55.69 53.12 3i5i s MET 172 Cb -0.09 -2.17 0.00 0.00 2.01 0.00 0.00 34.83 34.58 3i5i s MET 172 CO 0.01 -0.38 0.27 -0.51 -0.01 0.00 0.00 175.02 174.40 3i5i s LEU 173 N 1.51 4.82 -0.04 -0.03 1.43 -0.41 -0.47 118.68 125.49 3i5i s LEU 173 Ca 0.01 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 3i5i s LEU 173 Cb -0.15 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3i5i s LEU 173 CO -0.09 -0.35 -0.12 -0.63 0.23 0.00 0.00 176.35 175.40 3i5i s ILE 174 N 1.70 3.29 0.31 -0.59 1.01 -1.03 -1.41 121.20 124.48 3i5i s ILE 174 Ca 0.06 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3i5i s ILE 174 Cb -0.18 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.96 3i5i s ILE 174 CO 0.10 0.55 0.02 0.35 0.00 0.00 0.00 174.94 175.97 3i5i n THR 175 N 2.15 0.00 0.00 2.92 -2.24 -0.87 -4.50 114.28 111.74 3i5i n THR 175 Ca -0.17 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 3i5i n THR 175 Cb 0.52 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3i5i n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5i n GLY 176 N 0.99 3.01 0.00 3.38 0.00 -1.26 -2.73 105.19 108.58 3i5i n GLY 176 Ca -0.11 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3i5i n GLY 176 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i5i n GLU 177 N 1.28 1.57 0.00 1.61 -0.58 -1.26 -4.77 120.64 118.49 3i5i n GLU 177 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i5i n GLU 177 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i5i n GLU 177 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3i5i n SER 178 N -0.74 0.00 -4.39 1.62 3.41 -1.26 -2.62 113.62 109.63 3i5i n SER 178 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 3i5i n SER 178 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3i5i n SER 178 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3i5i s GLY 179 N 0.00 2.57 0.00 5.00 0.00 -1.26 -4.49 107.32 109.14 3i5i s GLY 179 Ca 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 44.72 41.39 3i5i s GLY 179 CO 0.00 1.63 0.00 0.00 0.00 0.00 0.00 173.10 174.73 3i5i n ALA 180 N 4.64 0.27 -0.78 3.20 0.00 -1.08 -3.94 120.51 122.82 3i5i n ALA 180 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3i5i n ALA 180 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3i5i n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5i n GLY 181 N 0.24 0.62 0.55 0.00 0.00 -1.26 -4.35 105.19 100.99 3i5i n GLY 181 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.38 3i5i n GLY 181 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i5i h LYS 182 N 1.74 0.00 0.00 1.61 3.64 -1.86 0.39 116.57 122.09 3i5i h LYS 182 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i5i h LYS 182 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i5i h LYS 182 CO 0.00 0.00 0.00 2.41 -2.27 0.00 0.00 179.45 179.59 3i5i n THR 183 N -3.82 0.00 -0.31 1.00 -1.04 -1.26 -1.84 114.28 107.01 3i5i n THR 183 Ca 0.27 0.66 0.00 0.00 -2.04 0.00 0.00 64.05 62.93 3i5i n THR 183 Cb 1.40 -1.33 0.06 0.00 -1.82 0.00 0.00 70.33 68.64 3i5i n THR 183 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 3i5i h GLU 184 N 0.00 -0.04 -0.59 -2.82 4.11 -1.66 0.46 114.58 114.04 3i5i h GLU 184 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.52 3i5i h GLU 184 Cb 0.00 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.15 3i5i h GLU 184 CO 0.00 -0.02 -0.44 -0.91 0.07 0.00 0.00 179.01 177.70 3i5i h ASN 185 N -0.04 -1.53 -0.94 3.06 2.35 -0.38 1.08 115.58 119.18 3i5i h ASN 185 Ca 0.35 0.25 0.05 0.00 -0.55 0.00 0.00 56.30 56.40 3i5i h ASN 185 Cb 0.61 0.69 -0.06 0.00 0.05 0.00 0.00 38.32 39.61 3i5i h ASN 185 CO -0.89 -0.33 0.61 0.74 -1.65 0.00 0.00 177.43 175.91 3i5i h THR 186 N -0.22 1.11 0.42 2.81 2.02 -0.20 -0.34 112.91 118.51 3i5i h THR 186 Ca 0.18 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 3i5i h THR 186 Cb 0.56 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3i5i h THR 186 CO -0.70 0.21 -0.34 0.50 0.37 0.00 0.00 175.52 175.56 3i5i h LYS 187 N 1.14 -0.71 -0.40 6.66 3.64 0.15 -1.75 116.57 125.30 3i5i h LYS 187 Ca 0.39 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.94 3i5i h LYS 187 Cb 0.09 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3i5i h LYS 187 CO -0.15 -0.47 0.51 0.87 -2.27 0.00 0.00 179.45 177.93 3i5i h LYS 188 N -0.74 0.00 0.18 1.90 1.57 0.14 0.14 116.57 119.76 3i5i h LYS 188 Ca -0.06 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.41 3i5i h LYS 188 Cb 0.62 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.94 3i5i h LYS 188 CO 0.01 0.00 -1.46 0.28 -0.57 0.00 0.00 179.45 177.70 3i5i h VAL 189 N 0.00 1.27 -0.22 0.50 2.07 -0.59 -2.26 116.25 117.02 3i5i h VAL 189 Ca 0.19 -2.81 -0.12 0.00 0.82 0.00 0.00 66.70 64.78 3i5i h VAL 189 Cb 1.20 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.86 3i5i h VAL 189 CO -0.00 0.84 -0.39 0.40 0.02 0.00 0.00 177.57 178.44 3i5i h ILE 190 N 0.10 1.30 0.43 4.57 2.04 0.04 -2.33 117.51 123.67 3i5i h ILE 190 Ca -0.23 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.08 3i5i h ILE 190 Cb 2.07 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.69 3i5i h ILE 190 CO 0.21 0.48 -0.39 1.56 0.00 0.00 0.00 178.15 180.02 3i5i h GLN 191 N 0.41 -0.78 -0.71 2.37 4.20 -0.95 -2.83 115.11 116.83 3i5i h GLN 191 Ca 0.04 0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.95 3i5i h GLN 191 Cb 0.86 0.18 -0.11 0.00 0.30 0.00 0.00 27.48 28.71 3i5i h GLN 191 CO 0.07 -0.52 0.15 -0.92 -0.67 0.00 0.00 178.83 176.94 3i5i h TYR 192 N -0.81 0.23 -0.15 2.96 5.03 -1.34 0.62 116.97 123.51 3i5i h TYR 192 Ca -0.06 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.34 3i5i h TYR 192 Cb 0.69 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.97 3i5i h TYR 192 CO -0.18 -0.09 0.18 0.74 -1.32 0.00 0.00 178.16 177.49 3i5i h PHE 193 N 0.25 0.00 0.16 -3.82 0.04 -1.25 -2.09 116.94 110.23 3i5i h PHE 193 Ca 0.40 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.16 3i5i h PHE 193 Cb 0.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.82 3i5i h PHE 193 CO -0.28 0.00 -0.08 0.00 -0.60 0.00 0.00 178.31 177.36 3i5i h ALA 194 N 1.78 -0.22 -0.99 2.45 0.00 0.47 -3.31 119.26 119.43 3i5i h ALA 194 Ca 0.07 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.00 3i5i h ALA 194 Cb 0.43 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 3i5i h ALA 194 CO -0.00 -0.26 0.62 -0.07 0.00 0.00 0.00 179.25 179.54 3i5i h LEU 195 N -0.94 0.61 0.00 0.00 3.38 -0.79 0.41 115.31 117.97 3i5i h LEU 195 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i5i h LEU 195 Cb 0.47 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i5i h LEU 195 CO 0.04 0.18 0.00 1.33 0.09 0.00 0.00 178.44 180.08 3i5i n VAL 196 N -4.69 0.10 1.27 1.22 0.24 -0.93 -2.25 118.33 113.29 3i5i n VAL 196 Ca 0.23 0.02 0.14 0.00 -2.04 0.00 0.00 64.34 62.70 3i5i n VAL 196 Cb 0.70 -0.74 0.65 0.00 -1.47 0.00 0.00 33.84 32.98 3i5i n VAL 196 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i5i n ALA 197 N -1.06 2.58 1.01 2.33 0.00 0.15 -2.16 120.51 123.36 3i5i n ALA 197 Ca 0.12 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.50 3i5i n ALA 197 Cb 0.08 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 3i5i n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i5i n ALA 198 N -1.29 4.24 0.00 0.00 0.00 -0.96 -4.62 120.51 117.89 3i5i n ALA 198 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3i5i n ALA 198 Cb 0.28 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3i5i n ALA 198 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i5i n SER 199 N -1.05 0.00 -4.23 0.00 7.64 -0.92 -4.03 113.62 111.04 3i5i n SER 199 Ca 0.06 0.15 -0.41 0.00 1.01 0.00 0.00 58.87 59.68 3i5i n SER 199 Cb 0.37 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 3i5i n SER 199 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i5i s LEU 200 N -2.09 5.98 0.00 -3.43 1.43 -1.26 -4.84 118.68 114.47 3i5i s LEU 200 Ca 0.00 -3.55 0.00 0.00 -1.03 0.00 0.00 54.13 49.55 3i5i s LEU 200 Cb 0.00 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3i5i s LEU 200 CO 0.00 -0.27 0.00 0.00 0.23 0.00 0.00 176.35 176.31 3i5i n ALA 201 N 2.67 -0.11 -2.00 4.21 0.00 -1.26 -5.20 120.51 118.82 3i5i n ALA 201 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3i5i n ALA 201 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3i5i n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5i n GLY 202 N -0.19 0.99 2.21 0.00 0.00 -1.26 -5.24 105.19 101.70 3i5i n GLY 202 Ca 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 3i5i n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i5i n LYS 217 N 0.00 -1.75 0.00 1.61 4.76 -1.26 -4.75 118.16 116.77 3i5i n LYS 217 Ca 0.00 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 3i5i n LYS 217 Cb 0.00 -3.96 0.00 0.00 -1.84 0.00 0.00 35.03 29.23 3i5i n LYS 217 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i5i n GLY 218 N 0.25 4.08 3.92 0.72 0.00 -1.26 -4.92 105.19 107.98 3i5i n GLY 218 Ca -0.03 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 3i5i n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5i s THR 219 N -0.03 4.48 0.10 2.61 2.01 -1.26 -4.80 115.64 118.75 3i5i s THR 219 Ca 0.00 -0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 3i5i s THR 219 Cb 0.00 -3.71 -0.12 0.00 0.01 0.00 0.00 72.50 68.69 3i5i s THR 219 CO 0.00 -0.65 1.63 0.25 -0.69 0.00 0.00 174.62 175.16 3i5i h LEU 220 N 0.20 -0.77 -0.88 4.42 5.85 -1.99 0.36 115.31 122.50 3i5i h LEU 220 Ca -0.47 0.07 0.23 0.00 0.84 0.00 0.00 57.88 58.56 3i5i h LEU 220 Cb 1.23 0.27 -0.14 0.00 0.37 0.00 0.00 40.66 42.39 3i5i h LEU 220 CO 0.61 -0.41 0.29 -0.33 -0.34 0.00 0.00 178.44 178.26 3i5i h GLU 221 N -0.59 0.26 0.06 1.25 3.07 -1.92 -2.21 114.58 114.49 3i5i h GLU 221 Ca -0.01 -0.02 -0.28 0.00 -0.50 0.00 0.00 59.36 58.55 3i5i h GLU 221 Cb 0.55 -0.06 0.03 0.00 -0.84 0.00 0.00 28.75 28.43 3i5i h GLU 221 CO -0.07 0.17 -1.14 -0.44 -1.40 0.00 0.00 179.01 176.13 3i5i h ASP 222 N 0.27 0.90 0.14 1.42 3.32 -1.63 0.14 116.42 120.98 3i5i h ASP 222 Ca 0.55 -0.77 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 3i5i h ASP 222 Cb 1.10 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 3i5i h ASP 222 CO -0.61 1.57 -0.02 1.56 -1.72 0.00 0.00 179.24 180.02 3i5i h GLN 223 N 0.34 0.00 0.04 3.56 4.20 0.24 0.24 115.11 123.74 3i5i h GLN 223 Ca -0.16 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.19 3i5i h GLN 223 Cb 1.81 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.54 3i5i h GLN 223 CO 0.22 0.02 -2.14 -0.89 -0.67 0.00 0.00 178.83 175.38 3i5i n ILE 224 N -3.45 1.60 0.24 2.54 5.41 -0.89 -4.02 119.36 120.80 3i5i n ILE 224 Ca -0.03 -0.70 0.12 0.00 1.00 0.00 0.00 62.75 63.15 3i5i n ILE 224 Cb 0.12 -1.29 0.57 0.00 -0.71 0.00 0.00 39.64 38.33 3i5i n ILE 224 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3i5i h VAL 225 N 0.03 0.43 -0.99 1.39 2.07 -0.49 -2.73 116.25 115.96 3i5i h VAL 225 Ca -0.46 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.23 3i5i h VAL 225 Cb 2.03 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 33.37 3i5i h VAL 225 CO 0.03 0.15 0.65 1.56 0.02 0.00 0.00 177.57 179.98 3i5i h GLN 226 N 0.00 1.21 -0.06 1.57 4.20 -1.10 -2.92 115.11 118.02 3i5i h GLN 226 Ca -0.00 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 3i5i h GLN 226 Cb 0.61 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3i5i h GLN 226 CO 0.02 0.80 -0.79 0.00 -0.67 0.00 0.00 178.83 178.19 3i5i h ASN 228 N 0.27 0.00 0.00 0.00 2.35 -1.55 -0.71 115.58 115.94 3i5i h ASN 228 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3i5i h ASN 228 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.76 3i5i h ASN 228 CO 0.14 0.00 -0.01 -0.65 -1.65 0.00 0.00 177.43 175.26 3i5i h PRO 229 N 0.00 0.00 -0.29 0.81 0.11 -1.75 -2.89 132.00 127.99 3i5i h PRO 229 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3i5i h PRO 229 Cb 1.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 3i5i h PRO 229 CO 0.00 0.91 0.18 0.28 -0.21 0.00 0.00 178.00 179.17 3i5i h VAL 230 N -0.90 1.09 -0.45 3.15 2.07 -1.40 -1.62 116.25 118.18 3i5i h VAL 230 Ca -0.00 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3i5i h VAL 230 Cb 0.92 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3i5i h VAL 230 CO 0.00 0.09 0.23 -0.07 0.02 0.00 0.00 177.57 177.84 3i5i h LEU 231 N 0.38 0.56 -0.84 2.57 3.38 -1.65 -2.38 115.31 117.34 3i5i h LEU 231 Ca 0.11 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3i5i h LEU 231 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3i5i h LEU 231 CO -0.02 0.47 -0.28 -0.33 0.09 0.00 0.00 178.44 178.37 3i5i h GLU 232 N 0.63 0.54 -0.62 1.13 5.08 -1.20 0.34 114.58 120.49 3i5i h GLU 232 Ca 0.16 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3i5i h GLU 232 Cb 0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3i5i h GLU 232 CO -0.02 0.77 0.07 0.00 -1.00 0.00 0.00 179.01 178.82 3i5i h ALA 233 N 1.22 0.94 0.00 3.43 0.00 -0.78 0.45 119.26 124.53 3i5i h ALA 233 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i5i h ALA 233 Cb 0.73 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i5i h ALA 233 CO 0.06 0.65 -1.04 0.66 0.00 0.00 0.00 179.25 179.57 3i5i n TYR 234 N -4.20 0.56 0.23 0.00 4.02 -1.12 -1.07 117.16 115.57 3i5i n TYR 234 Ca 0.04 0.16 0.02 0.00 -0.01 0.00 0.00 57.90 58.11 3i5i n TYR 234 Cb 0.31 -0.68 -0.02 0.00 -0.02 0.00 0.00 39.34 38.93 3i5i n TYR 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i5i n GLY 235 N 1.28 0.28 3.73 2.72 0.00 0.12 -4.92 105.19 108.39 3i5i n GLY 235 Ca 0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 3i5i n GLY 235 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i5i s ASN 236 N -1.28 4.55 -0.09 1.61 -0.87 0.14 0.15 114.94 119.16 3i5i s ASN 236 Ca 0.03 -0.90 -0.32 0.00 -1.57 0.00 0.00 52.86 50.09 3i5i s ASN 236 Cb 0.04 -0.61 0.14 0.00 -0.02 0.00 0.00 41.25 40.80 3i5i s ASN 236 CO 0.18 -0.40 1.41 0.00 -2.57 0.00 0.00 177.10 175.72 3i5i s ALA 237 N -2.50 -2.55 0.31 0.60 0.00 -0.37 -2.15 121.76 115.11 3i5i s ALA 237 Ca 0.39 0.78 -0.25 0.00 0.00 0.00 0.00 51.96 52.89 3i5i s ALA 237 Cb -0.00 0.38 -0.10 0.00 0.00 0.00 0.00 23.12 23.41 3i5i s ALA 237 CO 0.23 -1.08 0.90 0.21 0.00 0.00 0.00 175.76 176.01 3i5i s LYS 238 N -2.05 4.50 -0.02 0.00 2.20 -1.25 0.80 119.74 123.92 3i5i s LYS 238 Ca 0.18 1.23 0.01 0.00 -0.36 0.00 0.00 55.97 57.03 3i5i s LYS 238 Cb 0.06 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.61 3i5i s LYS 238 CO -0.06 0.28 -0.02 0.95 -0.36 0.00 0.00 175.35 176.15 3i5i s THR 239 N -1.63 0.24 0.00 3.43 -4.23 0.12 -3.43 115.64 110.14 3i5i s THR 239 Ca 0.50 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 3i5i s THR 239 Cb -0.18 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.39 3i5i s THR 239 CO 0.23 0.12 0.00 0.41 -0.54 0.00 0.00 174.62 174.83 3i5i n THR 240 N 3.58 0.00 -0.72 3.99 -1.04 -1.21 0.27 114.28 119.16 3i5i n THR 240 Ca -0.20 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 61.89 3i5i n THR 240 Cb 0.54 0.00 0.35 0.00 -1.82 0.00 0.00 70.33 69.40 3i5i n THR 240 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i5i n ARG 241 N -1.72 3.92 -3.66 -2.82 1.74 -1.26 -4.94 116.66 107.92 3i5i n ARG 241 Ca 0.00 -2.92 -0.07 0.00 -0.77 0.00 0.00 57.85 54.09 3i5i n ARG 241 Cb 0.00 -1.95 -0.08 0.00 -1.02 0.00 0.00 32.46 29.41 3i5i n ARG 241 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3i5i s ASN 242 N -1.00 -0.83 0.47 0.55 3.04 0.78 -4.99 114.94 112.95 3i5i s ASN 242 Ca 0.50 1.35 0.24 0.00 0.04 0.00 0.00 52.86 54.99 3i5i s ASN 242 Cb 0.34 1.42 1.13 0.00 -1.54 0.00 0.00 41.25 42.60 3i5i s ASN 242 CO 0.20 -0.23 1.93 0.78 -3.04 0.00 0.00 177.10 176.75 3i5i h ASN 243 N 7.32 0.00 -2.05 -4.21 2.35 -1.87 0.33 115.58 117.45 3i5i h ASN 243 Ca -0.28 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.06 3i5i h ASN 243 Cb 1.18 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 39.23 3i5i h ASN 243 CO 0.17 0.20 -0.72 0.21 -1.65 0.00 0.00 177.43 175.64 3i5i s ASN 244 N -6.23 1.43 -0.23 5.81 3.04 -1.25 -3.95 114.94 113.56 3i5i s ASN 244 Ca -0.01 -1.75 -0.06 0.00 0.04 0.00 0.00 52.86 51.07 3i5i s ASN 244 Cb 0.12 0.39 -0.03 0.00 -1.54 0.00 0.00 41.25 40.19 3i5i s ASN 244 CO 0.62 -0.26 0.04 -0.55 -3.04 0.00 0.00 177.10 173.92 3i5i s SER 245 N 1.30 5.06 -0.18 -4.21 0.15 0.24 -4.81 113.70 111.26 3i5i s SER 245 Ca 0.18 -0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.36 3i5i s SER 245 Cb -0.16 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.23 3i5i s SER 245 CO -0.02 0.02 1.64 -0.44 1.20 0.00 0.00 173.24 175.64 3i5i s SER 246 N 1.28 6.43 -0.48 5.45 0.01 -1.26 -1.24 113.70 123.90 3i5i s SER 246 Ca 0.04 1.79 0.01 0.00 1.31 0.00 0.00 55.95 59.11 3i5i s SER 246 Cb -0.15 -2.53 0.50 0.00 0.21 0.00 0.00 66.02 64.05 3i5i s SER 246 CO 0.03 -1.19 1.91 0.54 0.41 0.00 0.00 173.24 174.94 3i5i n ARG 247 N 7.54 2.26 -3.88 12.44 5.12 0.41 -4.84 116.66 135.70 3i5i n ARG 247 Ca 0.19 -2.72 -0.09 0.00 -1.93 0.00 0.00 57.85 53.29 3i5i n ARG 247 Cb 0.45 -2.07 -0.05 0.00 -1.16 0.00 0.00 32.46 29.62 3i5i n ARG 247 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3i5i s PHE 248 N -3.08 0.19 -0.15 -1.55 -0.71 -1.26 -0.68 117.98 110.75 3i5i s PHE 248 Ca 0.53 -0.54 -0.03 0.00 -1.04 0.00 0.00 56.93 55.84 3i5i s PHE 248 Cb 0.43 0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 3i5i s PHE 248 CO 0.05 -0.85 -0.06 0.20 -1.34 0.00 0.00 175.22 173.22 3i5i s GLY 249 N -2.94 1.69 0.03 1.99 0.00 0.26 -4.74 107.32 103.61 3i5i s GLY 249 Ca 0.15 -0.83 0.09 0.00 0.00 0.00 0.00 44.72 44.13 3i5i s GLY 249 CO 0.01 -0.10 -0.25 -1.59 0.00 0.00 0.00 173.10 171.18 3i5i s LYS 250 N 0.35 1.90 -0.23 2.90 -2.85 -0.02 0.14 119.74 121.93 3i5i s LYS 250 Ca -0.05 -1.06 0.01 0.00 -1.00 0.00 0.00 55.97 53.87 3i5i s LYS 250 Cb -0.14 -2.03 0.05 0.00 -2.06 0.00 0.00 37.83 33.65 3i5i s LYS 250 CO 0.03 0.53 -0.09 0.12 0.10 0.00 0.00 175.35 176.04 3i5i s PHE 251 N -0.80 2.67 -0.40 1.78 5.36 -0.67 0.12 117.98 126.03 3i5i s PHE 251 Ca 0.12 -1.88 -0.18 0.00 -0.96 0.00 0.00 56.93 54.03 3i5i s PHE 251 Cb -0.10 -1.71 0.01 0.00 -0.34 0.00 0.00 43.02 40.89 3i5i s PHE 251 CO 0.02 -0.80 0.49 0.42 -1.46 0.00 0.00 175.22 173.90 3i5i s ILE 252 N 1.31 5.02 -0.37 3.12 1.01 0.61 -1.54 121.20 130.35 3i5i s ILE 252 Ca -0.05 -0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 3i5i s ILE 252 Cb -0.18 -4.04 -0.00 0.00 0.01 0.00 0.00 42.46 38.24 3i5i s ILE 252 CO -0.06 -0.39 0.36 -0.13 0.00 0.00 0.00 174.94 174.71 3i5i s ARG 253 N 2.34 3.38 -0.35 2.79 0.52 -0.32 -1.24 118.95 126.07 3i5i s ARG 253 Ca 0.16 -0.59 -0.15 0.00 -0.52 0.00 0.00 55.73 54.62 3i5i s ARG 253 Cb -0.16 -3.86 -0.01 0.00 0.52 0.00 0.00 34.95 31.44 3i5i s ARG 253 CO 0.15 -0.62 0.36 0.42 0.02 0.00 0.00 175.30 175.63 3i5i s ILE 254 N 1.97 5.17 0.68 1.52 1.01 -1.10 -2.15 121.20 128.30 3i5i s ILE 254 Ca 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 3i5i s ILE 254 Cb -0.17 -3.84 0.04 0.00 0.01 0.00 0.00 42.46 38.49 3i5i s ILE 254 CO 0.12 -0.14 1.00 -1.00 0.00 0.00 0.00 174.94 174.93 3i5i s HIS 255 N 1.99 3.09 0.02 3.97 3.76 0.15 -2.51 115.29 125.77 3i5i s HIS 255 Ca 0.11 0.62 -0.13 0.00 -0.15 0.00 0.00 55.06 55.51 3i5i s HIS 255 Cb -0.17 -3.06 0.02 0.00 1.11 0.00 0.00 32.58 30.48 3i5i s HIS 255 CO 0.12 -1.22 0.28 -0.06 -0.85 0.00 0.00 174.74 173.01 3i5i s PHE 256 N -3.21 -0.09 0.56 1.40 0.40 -1.14 -1.81 117.98 114.09 3i5i s PHE 256 Ca 0.58 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.94 3i5i s PHE 256 Cb -0.11 0.07 0.04 0.00 0.51 0.00 0.00 43.02 43.53 3i5i s PHE 256 CO 0.46 -0.45 0.78 0.20 0.70 0.00 0.00 175.22 176.91 3i5i s GLY 257 N -1.82 1.83 0.26 4.36 0.00 0.28 -2.16 107.32 110.07 3i5i s GLY 257 Ca -0.08 -1.44 0.13 0.00 0.00 0.00 0.00 44.72 43.33 3i5i s GLY 257 CO -0.01 -1.13 1.30 2.41 0.00 0.00 0.00 173.10 175.67 3i5i n THR 258 N -2.34 0.87 -0.10 0.90 -1.04 -1.26 -0.91 114.28 110.40 3i5i n THR 258 Ca 0.09 0.69 0.12 0.00 -2.04 0.00 0.00 64.05 62.91 3i5i n THR 258 Cb 0.60 -1.69 0.29 0.00 -1.82 0.00 0.00 70.33 67.71 3i5i n THR 258 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5i n GLN 259 N -1.96 2.60 -0.74 -2.82 1.13 -1.26 -4.87 117.38 109.45 3i5i n GLN 259 Ca -0.01 -2.47 0.00 0.00 -1.94 0.00 0.00 57.00 52.58 3i5i n GLN 259 Cb 0.22 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 29.03 3i5i n GLN 259 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i5i n GLY 260 N 1.60 0.61 3.70 1.08 0.00 -0.09 -4.97 105.19 107.12 3i5i n GLY 260 Ca 0.23 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3i5i n GLY 260 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5i s LYS 261 N -0.56 4.49 0.07 1.61 -2.85 -1.23 -4.64 119.74 116.63 3i5i s LYS 261 Ca 0.00 1.48 -0.31 0.00 -1.00 0.00 0.00 55.97 56.15 3i5i s LYS 261 Cb 0.00 -3.47 -0.08 0.00 -2.06 0.00 0.00 37.83 32.21 3i5i s LYS 261 CO 0.00 -0.18 1.69 0.42 0.10 0.00 0.00 175.35 177.38 3i5i s ILE 262 N 1.37 2.99 0.00 3.79 1.01 -1.26 0.10 121.20 129.21 3i5i s ILE 262 Ca 0.52 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.59 3i5i s ILE 262 Cb -0.22 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3i5i s ILE 262 CO 0.25 -0.00 0.75 0.00 0.00 0.00 0.00 174.94 175.93 3i5i n ALA 263 N 5.75 1.69 0.00 9.38 0.00 -0.75 -4.81 120.51 131.77 3i5i n ALA 263 Ca 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3i5i n ALA 263 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3i5i n ALA 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5i n GLY 264 N -0.28 -1.42 3.47 0.00 0.00 -1.25 -4.22 105.19 101.49 3i5i n GLY 264 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 3i5i n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5i s ALA 265 N -1.41 -1.69 0.10 4.61 0.00 -1.26 0.33 121.76 122.44 3i5i s ALA 265 Ca 0.00 0.70 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 3i5i s ALA 265 Cb 0.00 0.67 0.08 0.00 0.00 0.00 0.00 23.12 23.87 3i5i s ALA 265 CO 0.00 -0.74 0.95 0.16 0.00 0.00 0.00 175.76 176.13 3i5i s ASP 266 N -2.64 -0.22 -0.07 0.00 -4.77 -0.91 -4.31 116.67 103.74 3i5i s ASP 266 Ca 0.03 -0.28 0.02 0.00 -3.30 0.00 0.00 52.55 49.02 3i5i s ASP 266 Cb -0.01 0.45 0.01 0.00 -1.09 0.00 0.00 42.92 42.28 3i5i s ASP 266 CO -0.11 -0.80 -0.12 -0.63 0.70 0.00 0.00 175.17 174.21 3i5i s ILE 267 N -3.21 1.15 -0.11 2.11 1.01 -1.26 -1.17 121.20 119.71 3i5i s ILE 267 Ca 0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 3i5i s ILE 267 Cb -0.01 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3i5i s ILE 267 CO -0.01 0.36 0.02 -1.61 0.00 0.00 0.00 174.94 173.70 3i5i s GLU 268 N 0.82 3.22 0.06 2.79 2.02 -0.59 -4.92 118.70 122.10 3i5i s GLU 268 Ca -0.12 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 54.56 3i5i s GLU 268 Cb -0.15 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 3i5i s GLU 268 CO 0.02 0.61 -0.19 0.95 0.02 0.00 0.00 175.26 176.66 3i5i s THR 269 N -0.61 2.73 0.05 3.63 -4.23 -1.26 -1.67 115.64 114.28 3i5i s THR 269 Ca 0.10 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 3i5i s THR 269 Cb -0.12 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 3i5i s THR 269 CO 0.02 0.27 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.99 3i5i s TYR 270 N -0.98 0.69 -1.05 3.99 1.51 0.12 -4.96 117.35 116.68 3i5i s TYR 270 Ca 0.15 -0.55 -0.19 0.00 -1.01 0.00 0.00 57.07 55.47 3i5i s TYR 270 Cb -0.10 -0.41 0.02 0.00 -0.11 0.00 0.00 41.96 41.35 3i5i s TYR 270 CO 0.06 -0.09 0.69 1.28 -1.11 0.00 0.00 175.55 176.38 3i5i n LEU 271 N 1.29 -1.77 -4.74 -1.29 4.77 -1.26 0.92 117.00 114.92 3i5i n LEU 271 Ca -0.22 -1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 54.30 3i5i n LEU 271 Cb 0.55 -1.91 -0.04 0.00 -2.33 0.00 0.00 43.42 39.70 3i5i n LEU 271 CO 0.22 0.48 0.86 -0.22 -1.33 0.00 0.00 177.39 177.40 3i5i s LEU 272 N -6.26 4.46 -1.16 2.23 2.96 -1.26 -4.19 118.68 115.46 3i5i s LEU 272 Ca 0.31 2.21 -0.21 0.00 -0.22 0.00 0.00 54.13 56.22 3i5i s LEU 272 Cb -0.15 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 42.99 3i5i s LEU 272 CO 0.91 -0.33 1.59 -0.70 -1.32 0.00 0.00 176.35 176.50 3i5i s GLU 273 N -0.31 3.78 0.00 1.98 2.12 0.15 -4.86 118.70 121.56 3i5i s GLU 273 Ca 0.52 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 54.30 3i5i s GLU 273 Cb -0.32 -5.45 0.00 0.00 0.26 0.00 0.00 34.13 28.62 3i5i s GLU 273 CO 0.36 -2.24 0.45 1.63 -0.54 0.00 0.00 175.26 174.93 3i5i n LYS 274 N 8.65 0.00 0.00 4.30 5.02 -1.26 -3.19 118.16 131.68 3i5i n LYS 274 Ca 0.41 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 3i5i n LYS 274 Cb 0.49 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3i5i n LYS 274 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3i5i n SER 275 N -0.76 0.00 -0.44 4.39 7.64 -1.26 0.80 113.62 124.00 3i5i n SER 275 Ca 0.00 0.00 0.38 0.00 1.01 0.00 0.00 58.87 60.26 3i5i n SER 275 Cb 0.00 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 63.92 3i5i n SER 275 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3i5i h ARG 276 N 0.00 0.07 -0.08 1.43 2.43 -1.77 0.11 114.38 116.56 3i5i h ARG 276 Ca 0.00 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3i5i h ARG 276 Cb 0.00 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3i5i h ARG 276 CO 0.00 0.04 0.27 0.28 -1.51 0.00 0.00 179.97 179.05 3i5i h VAL 277 N 0.07 0.12 0.00 0.20 2.07 0.18 -2.50 116.25 116.39 3i5i h VAL 277 Ca 0.71 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.23 3i5i h VAL 277 Cb 2.59 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3i5i h VAL 277 CO -0.12 0.00 -0.37 0.35 0.02 0.00 0.00 177.57 177.44 3i5i n THR 278 N -3.17 0.43 -3.66 2.57 -2.24 0.35 -4.76 114.28 103.80 3i5i n THR 278 Ca -0.00 -0.52 -0.08 0.00 -2.27 0.00 0.00 64.05 61.18 3i5i n THR 278 Cb 0.35 0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.84 3i5i n THR 278 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3i5i s TYR 279 N -0.65 -0.92 0.04 4.78 5.04 -0.94 -4.90 117.35 119.79 3i5i s TYR 279 Ca 0.07 1.84 0.08 0.00 -2.44 0.00 0.00 57.07 56.62 3i5i s TYR 279 Cb 0.06 0.51 -0.03 0.00 0.35 0.00 0.00 41.96 42.86 3i5i s TYR 279 CO 0.01 -0.48 -0.24 -0.65 -1.34 0.00 0.00 175.55 172.85 3i5i s GLN 280 N 1.74 1.63 -1.03 4.97 1.11 -1.26 -4.49 119.66 122.32 3i5i s GLN 280 Ca -0.09 -1.03 -0.02 0.00 0.01 0.00 0.00 55.36 54.22 3i5i s GLN 280 Cb -0.07 -1.78 0.31 0.00 -1.01 0.00 0.00 33.01 30.46 3i5i s GLN 280 CO -0.17 0.46 1.52 1.04 0.01 0.00 0.00 175.29 178.15 3i5i n GLN 281 N 1.82 4.60 0.00 2.91 6.02 -1.26 -4.39 117.38 127.07 3i5i n GLN 281 Ca -0.17 -4.60 0.00 0.00 -0.01 0.00 0.00 57.00 52.22 3i5i n GLN 281 Cb 0.52 -2.48 0.00 0.00 1.02 0.00 0.00 30.24 29.31 3i5i n GLN 281 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3i5i n SER 282 N 0.89 0.00 -1.96 1.08 7.64 -1.26 -2.90 113.62 117.11 3i5i n SER 282 Ca 0.32 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 60.02 3i5i n SER 282 Cb 0.32 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.67 3i5i n SER 282 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i5i n ALA 283 N 2.12 4.90 -4.03 -0.43 0.00 -1.26 -3.11 120.51 118.71 3i5i n ALA 283 Ca 0.00 -2.27 -0.02 0.00 0.00 0.00 0.00 53.44 51.14 3i5i n ALA 283 Cb 0.00 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.10 3i5i n ALA 283 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i5i n GLU 284 N -0.74 1.88 -3.52 0.00 1.02 -1.14 -3.31 120.64 114.83 3i5i n GLU 284 Ca 0.46 -0.28 -0.12 0.00 -0.02 0.00 0.00 57.16 57.20 3i5i n GLU 284 Cb 1.42 0.07 -0.04 0.00 -0.02 0.00 0.00 31.44 32.87 3i5i n GLU 284 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3i5i s ARG 285 N -2.14 0.89 1.09 3.49 3.52 -1.22 -0.12 118.95 124.45 3i5i s ARG 285 Ca 0.00 -0.05 -0.18 0.00 -0.13 0.00 0.00 55.73 55.36 3i5i s ARG 285 Cb -0.00 0.41 0.27 0.00 -1.56 0.00 0.00 34.95 34.07 3i5i s ARG 285 CO 0.00 -0.33 1.01 -1.71 -0.81 0.00 0.00 175.30 173.46 3i5i n ASN 286 N 0.31 -1.78 -4.44 -2.12 2.85 -1.26 -4.44 115.26 104.39 3i5i n ASN 286 Ca -0.13 -1.14 -0.34 0.00 -0.11 0.00 0.00 54.58 52.86 3i5i n ASN 286 Cb 0.60 -0.91 0.10 0.00 1.24 0.00 0.00 39.78 40.81 3i5i n ASN 286 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3i5i n TYR 287 N -4.53 -1.17 -0.06 1.20 4.01 -1.26 -4.57 117.16 110.77 3i5i n TYR 287 Ca 0.14 0.27 -0.08 0.00 -0.16 0.00 0.00 57.90 58.07 3i5i n TYR 287 Cb 0.53 -1.84 -0.01 0.00 -0.31 0.00 0.00 39.34 37.71 3i5i n TYR 287 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3i5i h HIS 288 N -1.15 0.09 -1.06 -0.72 3.86 -1.36 -3.20 115.15 111.62 3i5i h HIS 288 Ca -0.44 0.01 0.32 0.00 -1.16 0.00 0.00 60.37 59.10 3i5i h HIS 288 Cb 1.30 -0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.64 3i5i h HIS 288 CO 0.38 0.03 0.63 0.97 0.86 0.00 0.00 177.93 180.80 3i5i h ILE 289 N 0.15 0.35 -0.52 2.45 2.10 -1.41 -0.90 117.51 119.74 3i5i h ILE 289 Ca 0.11 -0.12 0.04 0.00 1.08 0.00 0.00 64.86 65.98 3i5i h ILE 289 Cb 0.11 -0.02 -0.04 0.00 -1.09 0.00 0.00 36.82 35.77 3i5i h ILE 289 CO -0.14 0.06 0.27 -0.26 -1.08 0.00 0.00 178.15 177.00 3i5i h PHE 290 N 0.34 0.50 0.00 2.19 0.04 -1.83 0.41 116.94 118.58 3i5i h PHE 290 Ca 0.71 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.50 3i5i h PHE 290 Cb 1.71 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.71 3i5i h PHE 290 CO -0.01 0.25 0.00 0.66 -0.60 0.00 0.00 178.31 178.61 3i5i n TYR 291 N -4.87 0.00 -0.06 -0.55 4.02 -0.41 -3.56 117.16 111.73 3i5i n TYR 291 Ca 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.89 3i5i n TYR 291 Cb 0.13 -0.41 -0.03 0.00 -0.02 0.00 0.00 39.34 39.01 3i5i n TYR 291 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3i5i h GLN 292 N 0.00 0.00 -0.60 -0.72 4.20 0.33 -3.39 115.11 114.93 3i5i h GLN 292 Ca 0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 3i5i h GLN 292 Cb 0.35 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.02 3i5i h GLN 292 CO 0.00 0.18 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.18 3i5i h LEU 293 N -1.00 -0.43 -6.13 1.46 3.38 -0.59 -3.15 115.31 108.84 3i5i h LEU 293 Ca -0.03 0.17 -0.66 0.00 0.09 0.00 0.00 57.88 57.46 3i5i h LEU 293 Cb 0.37 0.33 0.01 0.00 0.09 0.00 0.00 40.66 41.46 3i5i h LEU 293 CO -0.02 -0.16 2.74 0.18 0.09 0.00 0.00 178.44 181.27 3i5i n LEU 294 N -5.36 5.52 0.00 1.67 4.77 -1.23 -4.84 117.00 117.52 3i5i n LEU 294 Ca 0.08 -3.47 -0.14 0.00 -0.03 0.00 0.00 56.01 52.45 3i5i n LEU 294 Cb 0.33 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.04 3i5i n LEU 294 CO 0.08 0.43 0.15 -0.24 -1.33 0.00 0.00 177.39 176.48 3i5i n SER 295 N 6.47 -1.25 -4.12 -1.43 2.88 -1.19 -4.73 113.62 110.24 3i5i n SER 295 Ca 0.52 -2.80 -0.37 0.00 -1.33 0.00 0.00 58.87 54.89 3i5i n SER 295 Cb 0.37 2.36 -0.07 0.00 -0.75 0.00 0.00 64.21 66.12 3i5i n SER 295 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3i5i s PRO 296 N -2.77 3.11 0.00 -1.46 0.04 -1.26 -3.99 135.00 128.67 3i5i s PRO 296 Ca 0.28 -3.00 0.00 0.00 0.04 0.00 0.00 61.00 58.31 3i5i s PRO 296 Cb -0.01 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.59 3i5i s PRO 296 CO 0.20 -1.24 0.01 0.00 0.04 0.00 0.00 177.00 176.01 3i5i n ALA 297 N 2.79 0.07 -2.43 8.56 0.00 -1.26 -4.87 120.51 123.38 3i5i n ALA 297 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 3i5i n ALA 297 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.85 3i5i n ALA 297 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i5i n PHE 298 N 0.00 -0.30 -0.38 0.00 3.01 -1.26 -4.94 117.46 113.59 3i5i n PHE 298 Ca 0.00 -1.09 0.30 0.00 1.01 0.00 0.00 57.45 57.67 3i5i n PHE 298 Cb 0.27 0.49 0.57 0.00 -0.01 0.00 0.00 39.48 40.80 3i5i n PHE 298 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3i5i h PRO 299 N 0.94 0.21 -0.07 -1.08 0.11 -1.90 -0.64 132.00 129.58 3i5i h PRO 299 Ca -0.39 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.74 3i5i h PRO 299 Cb 1.47 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.48 3i5i h PRO 299 CO -0.09 0.14 -0.47 1.05 -0.21 0.00 0.00 178.00 178.42 3i5i h GLU 300 N 0.22 -0.56 -0.15 1.05 4.11 -1.93 -0.46 114.58 116.86 3i5i h GLU 300 Ca 0.74 0.04 0.04 0.00 0.07 0.00 0.00 59.36 60.25 3i5i h GLU 300 Cb 2.08 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.45 3i5i h GLU 300 CO -0.44 -0.37 0.15 -0.91 0.07 0.00 0.00 179.01 177.51 3i5i h ASN 301 N -0.58 0.00 0.19 3.06 2.35 -1.53 -1.09 115.58 117.98 3i5i h ASN 301 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3i5i h ASN 301 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3i5i h ASN 301 CO -0.38 0.00 0.00 0.40 -1.65 0.00 0.00 177.43 175.80 3i5i h ILE 302 N 0.00 0.00 0.00 2.81 2.04 -0.89 -1.97 117.51 119.50 3i5i h ILE 302 Ca 0.07 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3i5i h ILE 302 Cb 0.36 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3i5i h ILE 302 CO -0.00 0.00 -1.43 -0.62 0.00 0.00 0.00 178.15 176.09 3i5i n GLU 303 N -2.58 0.87 -0.02 2.37 -0.58 -0.42 -0.92 120.64 119.36 3i5i n GLU 303 Ca -0.01 -0.10 -0.16 0.00 -0.42 0.00 0.00 57.16 56.46 3i5i n GLU 303 Cb 0.09 -1.30 -0.10 0.00 -0.57 0.00 0.00 31.44 29.57 3i5i n GLU 303 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3i5i h LYS 304 N 0.00 0.37 -0.08 3.49 1.57 -1.44 -3.24 116.57 117.25 3i5i h LYS 304 Ca 0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3i5i h LYS 304 Cb 0.58 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 3i5i h LYS 304 CO 0.00 1.01 0.05 0.82 -0.57 0.00 0.00 179.45 180.76 3i5i h ILE 305 N -0.14 1.01 0.00 1.86 2.04 -1.56 -3.48 117.51 117.24 3i5i h ILE 305 Ca -0.04 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3i5i h ILE 305 Cb 1.13 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3i5i h ILE 305 CO 0.09 0.02 0.00 0.18 0.00 0.00 0.00 178.15 178.44 3i5i n LEU 306 N -5.04 0.00 -4.17 1.44 4.77 -1.17 -4.80 117.00 108.03 3i5i n LEU 306 Ca -0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 3i5i n LEU 306 Cb 0.03 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 3i5i n LEU 306 CO 0.33 0.00 -0.14 0.00 -1.33 0.00 0.00 177.39 176.26 3i5i s ALA 307 N -0.87 0.97 -0.23 -1.18 0.00 -0.10 -5.02 121.76 115.33 3i5i s ALA 307 Ca 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.36 3i5i s ALA 307 Cb 0.00 1.33 0.01 0.00 0.00 0.00 0.00 23.12 24.47 3i5i s ALA 307 CO 0.00 -0.65 -0.07 0.14 0.00 0.00 0.00 175.76 175.17 3i5i s VAL 308 N -4.01 2.93 -0.11 0.00 -7.23 -1.26 -4.57 120.40 106.14 3i5i s VAL 308 Ca 0.36 -0.83 -0.05 0.00 -1.81 0.00 0.00 61.98 59.65 3i5i s VAL 308 Cb 0.05 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 3i5i s VAL 308 CO 0.13 0.32 1.00 -0.81 -0.31 0.00 0.00 175.10 175.44 3i5i n PRO 309 N 4.71 0.01 -3.15 4.82 -0.04 -1.26 -4.60 135.00 135.48 3i5i n PRO 309 Ca -0.18 -0.23 -0.07 0.00 -0.04 0.00 0.00 63.50 62.98 3i5i n PRO 309 Cb 0.49 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 3i5i n PRO 309 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i5i s ASP 310 N 2.19 -0.59 0.60 3.54 -1.08 -1.26 -5.02 116.67 115.05 3i5i s ASP 310 Ca 0.12 -1.40 0.28 0.00 -0.52 0.00 0.00 52.55 51.04 3i5i s ASP 310 Cb 0.00 1.40 1.33 0.00 -1.46 0.00 0.00 42.92 44.20 3i5i s ASP 310 CO 0.04 -0.16 1.73 -0.65 0.52 0.00 0.00 175.17 176.65 3i5i h PRO 311 N 6.42 0.00 0.00 4.34 0.10 -1.89 -3.05 132.00 137.93 3i5i h PRO 311 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.17 3i5i h PRO 311 Cb 1.11 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.21 3i5i h PRO 311 CO 0.12 0.00 0.00 0.41 0.10 0.00 0.00 178.00 178.63 3i5i n GLY 312 N -1.55 -1.94 0.00 -0.55 0.00 -1.26 -4.07 105.19 95.82 3i5i n GLY 312 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i5i n GLY 312 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i5i n LEU 313 N 0.00 0.00 -3.58 0.99 4.77 -1.15 -4.17 117.00 113.86 3i5i n LEU 313 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3i5i n LEU 313 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3i5i n LEU 313 CO 0.00 0.00 0.05 -0.31 -1.33 0.00 0.00 177.39 175.80 3i5i s TYR 314 N 0.00 -0.90 0.38 -1.77 1.51 -1.26 -5.02 117.35 110.29 3i5i s TYR 314 Ca 0.00 1.52 0.12 0.00 -1.01 0.00 0.00 57.07 57.70 3i5i s TYR 314 Cb 0.00 0.33 0.93 0.00 -0.11 0.00 0.00 41.96 43.11 3i5i s TYR 314 CO 0.00 -0.56 1.87 0.78 -1.11 0.00 0.00 175.55 176.53 3i5i h GLY 315 N 8.15 1.05 -1.80 0.71 0.00 -1.85 0.35 103.07 109.68 3i5i h GLY 315 Ca -0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3i5i h GLY 315 CO 0.15 0.05 0.01 0.69 0.00 0.00 0.00 176.54 177.43 3i5i n PHE 316 N -4.54 0.04 0.00 5.60 3.01 -1.26 -3.92 117.46 116.38 3i5i n PHE 316 Ca 0.18 -0.40 0.00 0.00 1.01 0.00 0.00 57.45 58.23 3i5i n PHE 316 Cb 0.55 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 3i5i n PHE 316 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3i5i n ILE 317 N 0.37 0.00 0.90 4.37 5.41 0.48 -4.77 119.36 126.12 3i5i n ILE 317 Ca 0.01 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.86 3i5i n ILE 317 Cb 0.46 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.29 3i5i n ILE 317 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3i5i n ASN 318 N -0.00 0.87 -0.32 4.38 0.23 0.94 -4.56 115.26 116.79 3i5i n ASN 318 Ca 0.00 -0.85 0.20 0.00 -0.53 0.00 0.00 54.58 53.40 3i5i n ASN 318 Cb 0.00 1.05 0.41 0.00 -2.08 0.00 0.00 39.78 39.16 3i5i n ASN 318 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3i5i h GLN 319 N 0.00 0.25 0.00 -3.83 4.20 -1.80 -3.41 115.11 110.52 3i5i h GLN 319 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3i5i h GLN 319 Cb 0.55 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3i5i h GLN 319 CO 0.00 0.17 0.00 0.41 -0.67 0.00 0.00 178.83 178.74 3i5i n GLY 320 N -1.33 0.27 3.89 3.46 0.00 -1.26 -4.39 105.19 105.84 3i5i n GLY 320 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 3i5i n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5i s THR 321 N 2.18 3.40 -0.21 2.61 2.01 0.82 -4.81 115.64 121.65 3i5i s THR 321 Ca 0.00 -1.27 -0.16 0.00 0.31 0.00 0.00 61.69 60.57 3i5i s THR 321 Cb 0.00 -3.17 -0.12 0.00 0.01 0.00 0.00 72.50 69.22 3i5i s THR 321 CO 0.00 -0.12 -0.12 0.18 -0.69 0.00 0.00 174.62 173.87 3i5i n LEU 322 N -1.50 1.89 0.00 4.42 4.77 -1.26 -4.82 117.00 120.51 3i5i n LEU 322 Ca 0.00 0.43 -0.20 0.00 -0.03 0.00 0.00 56.01 56.21 3i5i n LEU 322 Cb 0.60 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 3i5i n LEU 322 CO 0.42 0.14 -0.12 0.35 -1.33 0.00 0.00 177.39 176.85 3i5i n THR 323 N -4.42 0.00 -4.04 -5.08 -2.24 -1.26 -5.00 114.28 92.25 3i5i n THR 323 Ca -0.31 -2.09 -0.27 0.00 -2.27 0.00 0.00 64.05 59.10 3i5i n THR 323 Cb 0.64 0.89 -0.17 0.00 -2.10 0.00 0.00 70.33 69.59 3i5i n THR 323 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i5i s VAL 324 N -3.02 1.18 -0.39 2.28 1.01 -1.26 -5.08 120.40 115.12 3i5i s VAL 324 Ca 0.26 -0.40 -0.42 0.00 0.00 0.00 0.00 61.98 61.41 3i5i s VAL 324 Cb 0.01 -1.15 -0.17 0.00 0.00 0.00 0.00 36.38 35.07 3i5i s VAL 324 CO 0.18 0.39 1.79 0.47 0.00 0.00 0.00 175.10 177.93 3i5i n ASP 325 N 4.74 1.79 -0.48 3.32 8.00 -1.26 -1.32 116.55 131.33 3i5i n ASP 325 Ca -0.15 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.36 3i5i n ASP 325 Cb 0.50 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 3i5i n ASP 325 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i5i n GLY 326 N 4.75 0.72 3.26 0.44 0.00 -1.26 -5.10 105.19 108.00 3i5i n GLY 326 Ca 0.33 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 3i5i n GLY 326 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i5i s ILE 327 N -2.47 -0.01 -0.60 -0.61 2.07 -0.44 -5.10 121.20 114.05 3i5i s ILE 327 Ca 0.00 0.04 0.06 0.00 -1.41 0.00 0.00 60.65 59.33 3i5i s ILE 327 Cb 0.00 -0.55 0.21 0.00 0.13 0.00 0.00 42.46 42.25 3i5i s ILE 327 CO 0.00 0.02 0.57 -0.67 -1.91 0.00 0.00 174.94 172.95 3i5i n ASP 328 N 3.39 2.39 -0.04 4.50 -0.08 -1.26 -4.75 116.55 120.69 3i5i n ASP 328 Ca -0.17 -3.10 -0.01 0.00 -1.51 0.00 0.00 54.79 49.99 3i5i n ASP 328 Cb 0.56 -0.68 -0.01 0.00 2.34 0.00 0.00 41.12 43.33 3i5i n ASP 328 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3i5i n ASP 329 N 1.60 -0.10 -0.09 1.67 8.00 -1.26 -0.58 116.55 125.78 3i5i n ASP 329 Ca 0.25 0.34 -0.02 0.00 0.71 0.00 0.00 54.79 56.07 3i5i n ASP 329 Cb 0.42 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.39 3i5i n ASP 329 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i5i n GLU 330 N -3.03 -0.09 -0.24 -1.24 1.02 -1.26 0.27 120.64 116.06 3i5i n GLU 330 Ca 0.00 0.49 0.21 0.00 -0.02 0.00 0.00 57.16 57.84 3i5i n GLU 330 Cb 0.03 -0.73 0.54 0.00 -0.02 0.00 0.00 31.44 31.26 3i5i n GLU 330 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3i5i h GLU 331 N 0.00 0.34 0.11 3.49 4.81 -1.27 0.39 114.58 122.45 3i5i h GLU 331 Ca 0.03 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 3i5i h GLU 331 Cb 0.09 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.41 3i5i h GLU 331 CO -0.20 0.22 -0.81 0.93 -0.73 0.00 0.00 179.01 178.42 3i5i h GLU 332 N 0.35 0.35 0.00 1.92 4.39 0.38 -0.43 114.58 121.54 3i5i h GLU 332 Ca 0.48 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3i5i h GLU 332 Cb 1.28 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 3i5i h GLU 332 CO -0.16 1.22 0.00 1.98 -1.16 0.00 0.00 179.01 180.89 3i5i h MET 333 N -0.25 0.00 0.00 2.33 1.85 0.10 0.18 114.93 119.15 3i5i h MET 333 Ca -0.13 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 3i5i h MET 333 Cb 1.60 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.63 3i5i h MET 333 CO 0.15 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 177.07 3i5i n GLY 334 N -1.19 0.15 0.35 1.39 0.00 0.12 -3.00 105.19 103.01 3i5i n GLY 334 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3i5i n GLY 334 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5i h LEU 335 N 0.00 0.75 -0.60 0.99 3.38 -0.91 0.12 115.31 119.04 3i5i h LEU 335 Ca 0.00 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.19 3i5i h LEU 335 Cb 0.00 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.60 3i5i h LEU 335 CO 0.00 0.27 -0.12 0.74 0.09 0.00 0.00 178.44 179.43 3i5i h THR 336 N 0.75 0.42 -0.01 0.22 2.02 -0.80 0.48 112.91 116.00 3i5i h THR 336 Ca 0.56 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.73 3i5i h THR 336 Cb 0.85 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3i5i h THR 336 CO -0.38 0.00 -0.00 -0.78 0.37 0.00 0.00 175.52 174.73 3i5i h ASP 337 N 0.02 0.02 -0.84 4.18 3.58 -0.72 -1.85 116.42 120.81 3i5i h ASP 337 Ca 0.29 -0.41 0.16 0.00 0.42 0.00 0.00 57.03 57.49 3i5i h ASP 337 Cb 0.45 -0.01 -0.10 0.00 1.72 0.00 0.00 39.33 41.40 3i5i h ASP 337 CO -0.59 0.43 0.41 0.74 -2.88 0.00 0.00 179.24 177.34 3i5i h THR 338 N -0.38 0.68 -0.25 2.25 2.02 -0.40 0.72 112.91 117.54 3i5i h THR 338 Ca 0.00 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3i5i h THR 338 Cb 0.42 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3i5i h THR 338 CO 0.00 0.10 -0.11 0.00 0.37 0.00 0.00 175.52 175.88 3i5i h ALA 339 N 1.58 1.35 0.00 6.16 0.00 0.05 -2.19 119.26 126.21 3i5i h ALA 339 Ca 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3i5i h ALA 339 Cb 0.71 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i5i h ALA 339 CO -0.39 0.44 -0.04 0.35 0.00 0.00 0.00 179.25 179.61 3i5i h PHE 340 N 0.38 0.00 0.07 0.00 3.04 0.01 -1.75 116.94 118.70 3i5i h PHE 340 Ca 0.08 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.69 3i5i h PHE 340 Cb 0.43 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 3i5i h PHE 340 CO 0.01 0.04 -1.85 -0.25 -2.02 0.00 0.00 178.31 174.24 3i5i n ASP 341 N -3.41 2.03 -0.23 0.41 9.92 -0.88 -2.83 116.55 121.56 3i5i n ASP 341 Ca -0.02 0.25 0.01 0.00 -0.53 0.00 0.00 54.79 54.50 3i5i n ASP 341 Cb 0.17 -0.86 0.13 0.00 -0.64 0.00 0.00 41.12 39.92 3i5i n ASP 341 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3i5i h VAL 342 N -0.31 0.84 0.00 2.53 2.07 -1.14 1.09 116.25 121.33 3i5i h VAL 342 Ca -0.43 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3i5i h VAL 342 Cb 1.79 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3i5i h VAL 342 CO -0.04 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.83 3i5i n LEU 343 N -4.89 0.00 -0.77 2.57 4.77 -0.68 -4.89 117.00 113.11 3i5i n LEU 343 Ca 0.10 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3i5i n LEU 343 Cb 0.26 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3i5i n LEU 343 CO 0.25 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 3i5i n GLY 344 N -0.66 0.62 2.90 -0.72 0.00 0.37 -4.81 105.19 102.89 3i5i n GLY 344 Ca 0.02 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 3i5i n GLY 344 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5i s PHE 345 N -2.87 0.85 0.00 1.61 0.40 -1.13 -5.03 117.98 111.81 3i5i s PHE 345 Ca 0.00 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 3i5i s PHE 345 Cb 0.00 -0.74 0.00 0.00 0.51 0.00 0.00 43.02 42.79 3i5i s PHE 345 CO 0.00 -0.23 0.00 2.41 0.70 0.00 0.00 175.22 178.10 3i5i n THR 346 N 4.16 0.00 0.01 0.64 -1.04 -1.26 -4.30 114.28 112.48 3i5i n THR 346 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3i5i n THR 346 Cb 0.51 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.04 3i5i n THR 346 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i5i n ASP 347 N 0.00 0.02 -0.07 8.00 8.00 -1.26 0.38 116.55 131.62 3i5i n ASP 347 Ca 0.00 0.44 -0.08 0.00 0.71 0.00 0.00 54.79 55.86 3i5i n ASP 347 Cb 0.00 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.61 3i5i n ASP 347 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3i5i h GLU 348 N 0.00 0.00 -0.66 -1.24 4.57 -2.00 -3.17 114.58 112.08 3i5i h GLU 348 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 3i5i h GLU 348 Cb 0.14 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.63 3i5i h GLU 348 CO 0.00 0.27 -0.54 0.93 -1.18 0.00 0.00 179.01 178.49 3i5i h GLU 349 N -1.00 -0.21 -1.21 1.92 5.08 -0.65 1.54 114.58 120.05 3i5i h GLU 349 Ca -0.07 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 58.65 3i5i h GLU 349 Cb 0.61 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 3i5i h GLU 349 CO -0.04 -0.14 1.23 1.17 -1.00 0.00 0.00 179.01 180.22 3i5i n LYS 350 N -5.35 0.01 -0.06 2.33 4.81 0.16 0.77 118.16 120.83 3i5i n LYS 350 Ca -0.00 1.00 -0.08 0.00 -0.87 0.00 0.00 58.31 58.36 3i5i n LYS 350 Cb 0.32 -2.45 -0.06 0.00 0.02 0.00 0.00 35.03 32.86 3i5i n LYS 350 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3i5i h LEU 351 N 0.00 0.00 -0.09 3.14 5.85 0.22 -2.93 115.31 121.50 3i5i h LEU 351 Ca 0.57 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3i5i h LEU 351 Cb 3.02 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 44.00 3i5i h LEU 351 CO -0.01 0.79 -0.49 0.28 -0.34 0.00 0.00 178.44 178.67 3i5i h SER 352 N -1.00 -1.55 -0.89 1.25 0.02 0.10 2.36 113.55 113.84 3i5i h SER 352 Ca -0.02 0.18 0.16 0.00 -0.84 0.00 0.00 61.79 61.27 3i5i h SER 352 Cb 0.54 0.60 -0.16 0.00 0.14 0.00 0.00 62.40 63.52 3i5i h SER 352 CO -0.01 -0.45 -0.28 -0.03 -1.14 0.00 0.00 176.83 174.92 3i5i h MET 353 N -0.55 -0.02 0.50 3.45 1.85 -1.51 2.88 114.93 121.53 3i5i h MET 353 Ca 0.02 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 3i5i h MET 353 Cb 0.63 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.66 3i5i h MET 353 CO -0.38 -0.01 -0.24 1.88 -0.40 0.00 0.00 176.91 177.76 3i5i h TYR 354 N -0.02 -0.62 -0.62 1.39 0.99 -0.31 1.00 116.97 118.78 3i5i h TYR 354 Ca 0.39 -0.01 0.13 0.00 2.00 0.00 0.00 58.73 61.23 3i5i h TYR 354 Cb 0.63 0.21 -0.11 0.00 1.00 0.00 0.00 36.73 38.46 3i5i h TYR 354 CO -0.74 -0.39 -0.03 0.87 -0.00 0.00 0.00 178.16 177.87 3i5i h LYS 355 N -0.70 0.09 -0.80 4.88 1.57 0.50 0.88 116.57 122.99 3i5i h LYS 355 Ca -0.07 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 3i5i h LYS 355 Cb 0.52 -0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.70 3i5i h LYS 355 CO 0.11 0.06 0.28 0.00 -0.57 0.00 0.00 179.45 179.33 3i5i h THR 357 N 0.37 0.04 -0.97 0.00 2.02 0.32 -2.82 112.91 111.87 3i5i h THR 357 Ca 0.46 -0.09 0.29 0.00 0.77 0.00 0.00 66.41 67.85 3i5i h THR 357 Cb 0.79 0.05 -0.17 0.00 -1.74 0.00 0.00 68.15 67.08 3i5i h THR 357 CO -0.48 0.00 0.17 1.23 0.37 0.00 0.00 175.52 176.81 3i5i h GLY 358 N -1.29 1.47 -0.18 2.16 0.00 0.17 0.47 103.07 105.86 3i5i h GLY 358 Ca -0.12 0.06 0.23 0.00 0.00 0.00 0.00 47.33 47.50 3i5i h GLY 358 CO 0.20 -0.54 0.46 0.00 0.00 0.00 0.00 176.54 176.66 3i5i h ILE 360 N 0.46 0.99 -0.38 0.00 2.04 -0.08 0.21 117.51 120.74 3i5i h ILE 360 Ca 0.59 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 66.31 3i5i h ILE 360 Cb 1.12 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3i5i h ILE 360 CO -0.51 0.05 0.04 -0.07 0.00 0.00 0.00 178.15 177.65 3i5i h LEU 361 N 0.25 0.54 0.16 1.44 3.38 0.52 -3.17 115.31 118.44 3i5i h LEU 361 Ca 0.13 -0.10 -0.33 0.00 0.09 0.00 0.00 57.88 57.67 3i5i h LEU 361 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i5i h LEU 361 CO -0.02 0.59 -1.68 0.45 0.09 0.00 0.00 178.44 177.86 3i5i h HIS 362 N 0.56 0.63 0.00 1.13 3.86 -0.97 -3.29 115.15 117.08 3i5i h HIS 362 Ca 0.12 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 3i5i h HIS 362 Cb 0.30 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3i5i h HIS 362 CO 0.01 1.66 0.07 1.28 0.86 0.00 0.00 177.93 181.81 3i5i n LEU 363 N -3.67 0.00 -0.01 2.43 4.77 0.57 0.25 117.00 121.34 3i5i n LEU 363 Ca -0.25 0.05 0.07 0.00 -0.03 0.00 0.00 56.01 55.85 3i5i n LEU 363 Cb 1.03 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.96 3i5i n LEU 363 CO 0.48 -0.05 -0.63 0.61 -1.33 0.00 0.00 177.39 176.47 3i5i n GLY 364 N -0.83 -0.65 0.09 -0.72 0.00 -1.24 -4.35 105.19 97.49 3i5i n GLY 364 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 3i5i n GLY 364 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i5i h GLU 365 N 0.00 0.08 -0.86 1.61 4.39 0.32 -3.44 114.58 116.68 3i5i h GLU 365 Ca 0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3i5i h GLU 365 Cb 0.65 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3i5i h GLU 365 CO 0.00 1.07 0.14 -1.33 -1.16 0.00 0.00 179.01 177.73 3i5i n MET 366 N -4.42 0.00 -0.78 2.33 2.81 -0.89 -4.82 117.12 111.34 3i5i n MET 366 Ca -0.16 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.44 3i5i n MET 366 Cb 0.62 -0.17 0.23 0.00 -0.71 0.00 0.00 33.22 33.19 3i5i n MET 366 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3i5i s LYS 367 N 0.74 -0.66 -0.04 0.03 3.01 -1.26 -5.03 119.74 116.53 3i5i s LYS 367 Ca 0.00 0.61 -0.28 0.00 -1.01 0.00 0.00 55.97 55.29 3i5i s LYS 367 Cb 0.00 -1.60 0.06 0.00 -1.01 0.00 0.00 37.83 35.28 3i5i s LYS 367 CO 0.00 -3.49 0.62 -1.58 0.51 0.00 0.00 175.35 171.41 3i5i s TRP 368 N -2.66 -0.58 0.13 3.18 0.52 -1.26 -3.92 118.94 114.35 3i5i s TRP 368 Ca 0.68 0.98 -0.04 0.00 0.02 0.00 0.00 56.10 57.74 3i5i s TRP 368 Cb -0.22 0.36 -0.03 0.00 -1.15 0.00 0.00 33.47 32.43 3i5i s TRP 368 CO 0.62 -0.57 0.12 0.21 0.02 0.00 0.00 176.95 177.35 3i5i s LYS 369 N -1.22 0.96 0.11 4.98 2.47 0.37 -4.88 119.74 122.52 3i5i s LYS 369 Ca -0.11 -1.31 0.00 0.00 -1.56 0.00 0.00 55.97 52.99 3i5i s LYS 369 Cb -0.01 0.28 -0.04 0.00 -1.46 0.00 0.00 37.83 36.60 3i5i s LYS 369 CO 0.09 -0.29 -0.01 1.14 0.16 0.00 0.00 175.35 176.43 3i5i s GLN 370 N -4.00 0.84 -0.36 4.03 -2.07 -1.26 0.16 119.66 117.00 3i5i s GLN 370 Ca 0.19 -1.36 0.01 0.00 -1.82 0.00 0.00 55.36 52.38 3i5i s GLN 370 Cb 0.06 0.02 0.14 0.00 -1.09 0.00 0.00 33.01 32.15 3i5i s GLN 370 CO -0.01 -0.13 0.23 1.03 -1.32 0.00 0.00 175.29 175.10 3i5i s ARG 371 N -3.93 0.60 0.00 9.60 0.52 -0.84 -4.97 118.95 119.93 3i5i s ARG 371 Ca 0.16 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 3i5i s ARG 371 Cb 0.07 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.25 3i5i s ARG 371 CO -0.03 -1.24 0.00 0.41 0.02 0.00 0.00 175.30 174.46 3i5i n GLY 372 N 3.88 0.95 2.69 -3.53 0.00 -1.26 -4.16 105.19 103.76 3i5i n GLY 372 Ca 0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 3i5i n GLY 372 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i5i n GLU 373 N 0.00 1.32 -3.67 1.61 1.02 -1.26 -5.08 120.64 114.58 3i5i n GLU 373 Ca 0.00 -1.53 -0.18 0.00 -0.02 0.00 0.00 57.16 55.43 3i5i n GLU 373 Cb 0.00 0.17 -0.16 0.00 -0.02 0.00 0.00 31.44 31.43 3i5i n GLU 373 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3i5i s GLN 374 N -0.01 -0.00 0.25 3.49 2.00 -1.25 -4.40 119.66 119.74 3i5i s GLN 374 Ca 0.15 0.49 -0.10 0.00 -2.00 0.00 0.00 55.36 53.90 3i5i s GLN 374 Cb 0.43 -0.35 -0.07 0.00 0.80 0.00 0.00 33.01 33.82 3i5i s GLN 374 CO -0.11 -0.31 0.58 0.00 -0.50 0.00 0.00 175.29 174.95 3i5i s ALA 375 N 2.18 3.54 0.06 1.58 0.00 -1.22 -1.98 121.76 125.92 3i5i s ALA 375 Ca 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 3i5i s ALA 375 Cb -0.12 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 3i5i s ALA 375 CO -0.05 0.44 0.02 -1.83 0.00 0.00 0.00 175.76 174.34 3i5i s GLU 376 N -2.95 0.68 1.15 0.00 -1.05 0.43 -4.89 118.70 112.06 3i5i s GLU 376 Ca 0.48 -1.19 -0.15 0.00 -0.15 0.00 0.00 54.97 53.95 3i5i s GLU 376 Cb -0.11 0.24 0.21 0.00 -0.44 0.00 0.00 34.13 34.02 3i5i s GLU 376 CO 0.22 -0.15 0.58 0.00 0.95 0.00 0.00 175.26 176.86 3i5i n ALA 377 N 0.06 -3.41 -2.74 -0.84 0.00 -1.26 -0.48 120.51 111.84 3i5i n ALA 377 Ca -0.13 -1.21 -0.01 0.00 0.00 0.00 0.00 53.44 52.09 3i5i n ALA 377 Cb 0.61 -1.80 0.07 0.00 0.00 0.00 0.00 19.45 18.34 3i5i n ALA 377 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i5i n ASP 378 N -3.49 0.40 0.00 0.00 -0.08 -1.25 -4.34 116.55 107.80 3i5i n ASP 378 Ca 0.02 -2.09 0.00 0.00 -1.51 0.00 0.00 54.79 51.21 3i5i n ASP 378 Cb 0.57 -0.04 0.00 0.00 2.34 0.00 0.00 41.12 44.00 3i5i n ASP 378 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i5i n GLY 379 N -0.87 -0.54 0.00 0.27 0.00 -1.26 -4.84 105.19 97.95 3i5i n GLY 379 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3i5i n GLY 379 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5i n THR 380 N 7.00 0.00 0.33 2.61 -1.04 -1.26 -4.97 114.28 116.94 3i5i n THR 380 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 3i5i n THR 380 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 3i5i n THR 380 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5i h ALA 381 N 0.00 -0.86 -1.15 2.41 0.00 -1.99 -1.97 119.26 115.71 3i5i h ALA 381 Ca 0.00 -0.21 0.34 0.00 0.00 0.00 0.00 54.91 55.04 3i5i h ALA 381 Cb 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 3i5i h ALA 381 CO 0.00 -0.86 0.74 0.93 0.00 0.00 0.00 179.25 180.06 3i5i h GLU 382 N -1.10 0.25 0.05 0.00 5.08 -1.95 0.24 114.58 117.14 3i5i h GLU 382 Ca -0.09 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.02 3i5i h GLU 382 Cb 0.70 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3i5i h GLU 382 CO 0.14 0.16 -1.05 0.00 -1.00 0.00 0.00 179.01 177.26 3i5i h ALA 383 N 1.62 0.30 0.00 3.43 0.00 -1.90 -1.86 119.26 120.86 3i5i h ALA 383 Ca 0.69 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i5i h ALA 383 Cb 1.96 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3i5i h ALA 383 CO -0.36 1.00 -0.13 1.05 0.00 0.00 0.00 179.25 180.81 3i5i h GLU 384 N 0.08 0.00 -0.04 0.00 4.11 -0.16 0.80 114.58 119.38 3i5i h GLU 384 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 3i5i h GLU 384 Cb 1.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 3i5i h GLU 384 CO 0.16 0.00 -0.04 0.87 0.07 0.00 0.00 179.01 180.07 3i5i h LYS 385 N 0.00 0.10 -0.04 1.06 1.57 -0.57 0.60 116.57 119.30 3i5i h LYS 385 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3i5i h LYS 385 Cb 0.98 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 3i5i h LYS 385 CO 0.00 0.56 -0.03 -0.39 -0.57 0.00 0.00 179.45 179.02 3i5i h VAL 386 N -0.35 1.37 -0.72 0.50 -1.51 -1.26 -1.01 116.25 113.28 3i5i h VAL 386 Ca 0.01 -1.16 0.12 0.00 -1.23 0.00 0.00 66.70 64.43 3i5i h VAL 386 Cb 0.54 2.08 -0.08 0.00 -2.13 0.00 0.00 31.29 31.69 3i5i h VAL 386 CO 0.01 0.31 0.31 0.00 -1.23 0.00 0.00 177.57 176.97 3i5i h ALA 387 N 0.54 1.00 0.32 5.19 0.00 0.63 -1.56 119.26 125.39 3i5i h ALA 387 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3i5i h ALA 387 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3i5i h ALA 387 CO 0.01 -0.15 -0.15 0.35 0.00 0.00 0.00 179.25 179.30 3i5i h PHE 388 N 0.49 -0.40 -1.40 0.00 3.57 0.30 -0.18 116.94 119.32 3i5i h PHE 388 Ca 0.38 -0.01 0.46 0.00 3.53 0.00 0.00 57.97 62.33 3i5i h PHE 388 Cb 0.51 0.13 -0.12 0.00 2.79 0.00 0.00 35.95 39.27 3i5i h PHE 388 CO -0.15 -0.25 0.93 1.28 -2.23 0.00 0.00 178.31 177.90 3i5i n LEU 389 N -3.63 0.15 0.03 0.59 4.77 -0.39 0.21 117.00 118.73 3i5i n LEU 389 Ca -0.05 1.20 -0.10 0.00 -0.03 0.00 0.00 56.01 57.02 3i5i n LEU 389 Cb 0.17 -0.59 -0.13 0.00 -2.33 0.00 0.00 43.42 40.54 3i5i n LEU 389 CO 0.13 -1.28 -0.27 -0.07 -1.33 0.00 0.00 177.39 174.57 3i5i h LEU 390 N 0.00 0.10 -2.62 2.23 3.38 -1.23 -3.45 115.31 113.72 3i5i h LEU 390 Ca 0.83 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.64 3i5i h LEU 390 Cb 2.82 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 43.53 3i5i h LEU 390 CO -0.33 1.13 0.00 0.61 0.09 0.00 0.00 178.44 179.94 3i5i n GLY 391 N 1.53 0.03 3.68 0.83 0.00 0.57 -4.22 105.19 107.61 3i5i n GLY 391 Ca -0.12 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 3i5i n GLY 391 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i5i s VAL 392 N -2.87 0.01 -0.61 1.61 1.01 -0.88 -3.77 120.40 114.89 3i5i s VAL 392 Ca 0.00 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 3i5i s VAL 392 Cb 0.00 -1.72 0.13 0.00 0.00 0.00 0.00 36.38 34.80 3i5i s VAL 392 CO 0.00 -0.02 0.64 0.20 0.00 0.00 0.00 175.10 175.91 3i5i s ASN 393 N -2.88 6.28 0.00 3.32 0.01 -1.26 -4.43 114.94 115.97 3i5i s ASN 393 Ca 0.09 -1.78 0.00 0.00 -0.71 0.00 0.00 52.86 50.46 3i5i s ASN 393 Cb -0.04 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.37 3i5i s ASN 393 CO 0.01 -0.93 0.00 0.00 -1.51 0.00 0.00 177.10 174.67 3i5i n ALA 394 N 5.55 0.00 0.26 0.60 0.00 -1.26 0.32 120.51 125.97 3i5i n ALA 394 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 3i5i n ALA 394 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 3i5i n ALA 394 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i5i h GLY 395 N 0.00 -0.76 1.41 0.00 0.00 -1.95 0.59 103.07 102.35 3i5i h GLY 395 Ca 0.00 0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.73 3i5i h GLY 395 CO 0.00 -0.28 0.25 -0.55 0.00 0.00 0.00 176.54 175.96 3i5i h ASP 396 N -0.71 0.21 0.00 0.19 3.32 0.46 0.45 116.42 120.33 3i5i h ASP 396 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3i5i h ASP 396 Cb 0.60 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3i5i h ASP 396 CO 0.03 0.14 0.00 -0.11 -1.72 0.00 0.00 179.24 177.57 3i5i n LEU 397 N -4.47 0.30 -0.30 1.55 7.94 -0.49 -0.11 117.00 121.41 3i5i n LEU 397 Ca 0.05 0.65 0.22 0.00 -1.11 0.00 0.00 56.01 55.82 3i5i n LEU 397 Cb 0.27 -0.40 0.42 0.00 0.53 0.00 0.00 43.42 44.24 3i5i n LEU 397 CO 0.35 -0.40 0.86 0.18 -1.11 0.00 0.00 177.39 177.27 3i5i n LEU 398 N -1.70 0.13 -0.06 -1.96 4.77 0.19 0.12 117.00 118.50 3i5i n LEU 398 Ca 0.00 1.53 -0.12 0.00 -0.03 0.00 0.00 56.01 57.39 3i5i n LEU 398 Cb 0.00 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.37 3i5i n LEU 398 CO 0.00 -1.64 0.70 0.11 -1.33 0.00 0.00 177.39 175.23 3i5i h LYS 399 N 0.00 0.33 -0.00 3.23 1.79 -0.12 0.25 116.57 122.05 3i5i h LYS 399 Ca 0.68 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 3i5i h LYS 399 Cb 1.65 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 3i5i h LYS 399 CO -0.77 0.60 -0.01 0.00 -1.08 0.00 0.00 179.45 178.19 3i5i n LEU 401 N -1.09 1.95 0.15 0.00 4.77 0.99 -4.23 117.00 119.53 3i5i n LEU 401 Ca 0.19 0.35 0.01 0.00 -0.03 0.00 0.00 56.01 56.54 3i5i n LEU 401 Cb 0.18 -0.83 0.21 0.00 -2.33 0.00 0.00 43.42 40.64 3i5i n LEU 401 CO 0.20 0.46 0.54 -0.07 -1.33 0.00 0.00 177.39 177.20 3i5i h LEU 402 N -1.00 0.00 0.00 2.23 3.38 -0.54 -3.44 115.31 115.94 3i5i h LEU 402 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3i5i h LEU 402 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3i5i h LEU 402 CO -0.37 0.54 -0.44 0.29 0.09 0.00 0.00 178.44 178.55 3i5i n LYS 403 N -3.61 0.00 -1.08 1.13 5.02 0.12 -4.76 118.16 114.98 3i5i n LYS 403 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i5i n LYS 403 Cb 0.60 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 3i5i n LYS 403 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i5i n PRO 404 N -2.24 -0.52 -4.50 1.97 -0.01 -0.93 0.12 135.00 128.88 3i5i n PRO 404 Ca 0.00 0.40 -0.25 0.00 -0.01 0.00 0.00 63.50 63.64 3i5i n PRO 404 Cb 0.22 -0.93 -0.17 0.00 -0.01 0.00 0.00 33.50 32.61 3i5i n PRO 404 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 3i5i s LYS 405 N -3.96 1.71 0.00 -0.52 1.02 -1.26 0.04 119.74 116.77 3i5i s LYS 405 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.59 3i5i s LYS 405 Cb 0.00 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.86 3i5i s LYS 405 CO 0.00 -0.01 0.00 -0.89 -0.92 0.00 0.00 175.35 173.53 3i5i n ILE 406 N 3.95 0.00 -3.43 2.17 5.41 0.11 -4.84 119.36 122.73 3i5i n ILE 406 Ca -0.22 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.53 3i5i n ILE 406 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 3i5i n ILE 406 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3i5i n LYS 407 N 0.00 0.00 0.00 0.38 0.00 -1.26 -4.02 118.16 113.26 3i5i n LYS 407 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i5i n LYS 407 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3i5i n LYS 407 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i5i n VAL 408 N 0.00 0.00 0.00 0.58 0.31 -1.26 -4.77 118.33 113.19 3i5i n VAL 408 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i5i n VAL 408 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i5i n VAL 408 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i5i n GLY 409 N -0.02 0.56 0.00 2.92 0.00 -1.26 -5.09 105.19 102.31 3i5i n GLY 409 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i5i n GLY 409 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i5i n THR 410 N 0.00 0.00 -3.49 2.61 -2.24 -1.26 -5.13 114.28 104.77 3i5i n THR 410 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 3i5i n THR 410 Cb 0.00 -0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 67.45 3i5i n THR 410 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i5i s GLU 411 N -1.87 0.24 0.64 -0.78 2.02 -1.26 -4.10 118.70 113.57 3i5i s GLU 411 Ca 0.00 -0.37 -0.10 0.00 0.02 0.00 0.00 54.97 54.52 3i5i s GLU 411 Cb 0.00 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 33.23 3i5i s GLU 411 CO 0.00 -1.01 1.01 -0.47 0.02 0.00 0.00 175.26 174.81 3i5i s TYR 412 N 2.20 3.44 -0.80 1.61 5.04 -1.26 -4.63 117.35 122.96 3i5i s TYR 412 Ca 0.09 1.04 -0.26 0.00 -2.44 0.00 0.00 57.07 55.50 3i5i s TYR 412 Cb -0.15 -2.82 0.04 0.00 0.35 0.00 0.00 41.96 39.37 3i5i s TYR 412 CO -0.35 -0.87 1.30 0.54 -1.34 0.00 0.00 175.55 174.84 3i5i s VAL 413 N -3.18 3.80 -1.67 3.14 0.11 -1.26 0.09 120.40 121.42 3i5i s VAL 413 Ca 0.55 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.72 3i5i s VAL 413 Cb -0.11 -4.94 0.02 0.00 -1.53 0.00 0.00 36.38 29.82 3i5i s VAL 413 CO 0.51 -1.86 0.71 0.35 -3.33 0.00 0.00 175.10 171.48 3i5i n THR 414 N 6.46 0.65 0.01 5.04 -2.24 0.11 -4.17 114.28 120.14 3i5i n THR 414 Ca 0.09 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 3i5i n THR 414 Cb 0.49 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 3i5i n THR 414 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3i5i n GLN 415 N -1.17 0.00 0.00 -0.78 7.27 0.32 -3.95 117.38 119.08 3i5i n GLN 415 Ca 0.01 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.10 3i5i n GLN 415 Cb 0.01 -0.10 0.00 0.00 2.41 0.00 0.00 30.24 32.56 3i5i n GLN 415 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i5i n GLY 416 N -0.42 0.00 0.00 1.69 0.00 -1.26 -4.61 105.19 100.60 3i5i n GLY 416 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i5i n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5i n ARG 417 N -2.57 0.00 -1.05 1.61 5.12 -1.25 -4.72 116.66 113.79 3i5i n ARG 417 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i5i n ARG 417 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i5i n ARG 417 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3i5i n ASN 418 N 0.00 0.69 0.04 0.55 0.23 -1.26 -3.44 115.26 112.07 3i5i n ASN 418 Ca 0.00 -0.53 -0.19 0.00 -0.53 0.00 0.00 54.58 53.33 3i5i n ASN 418 Cb 0.00 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.56 3i5i n ASN 418 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3i5i h LYS 419 N 0.00 0.30 -0.07 -3.83 3.64 -1.91 -2.88 116.57 111.82 3i5i h LYS 419 Ca 0.00 -0.48 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 3i5i h LYS 419 Cb 0.00 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3i5i h LYS 419 CO 0.00 1.21 0.09 -0.44 -2.27 0.00 0.00 179.45 178.04 3i5i h ASP 420 N -0.36 0.00 0.13 4.20 3.32 -2.01 -2.96 116.42 118.73 3i5i h ASP 420 Ca -0.12 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.70 3i5i h ASP 420 Cb 1.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.12 3i5i h ASP 420 CO 0.14 0.00 -1.07 1.56 -1.72 0.00 0.00 179.24 178.15 3i5i h GLN 421 N 0.00 0.28 -0.39 3.56 4.20 -1.96 -3.35 115.11 117.44 3i5i h GLN 421 Ca 0.03 -0.48 -0.09 0.00 0.06 0.00 0.00 58.65 58.18 3i5i h GLN 421 Cb 0.21 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3i5i h GLN 421 CO -0.00 1.23 -0.10 -0.39 -0.67 0.00 0.00 178.83 178.90 3i5i h VAL 422 N -0.34 1.28 -0.59 -0.54 -1.51 -1.35 -1.90 116.25 111.30 3i5i h VAL 422 Ca -0.21 -1.18 0.11 0.00 -1.23 0.00 0.00 66.70 64.19 3i5i h VAL 422 Cb 1.70 1.24 -0.09 0.00 -2.13 0.00 0.00 31.29 32.01 3i5i h VAL 422 CO 0.11 0.40 0.11 0.74 -1.23 0.00 0.00 177.57 177.70 3i5i h THR 423 N 0.57 0.63 0.57 7.19 2.02 -1.73 0.36 112.91 122.51 3i5i h THR 423 Ca 0.10 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3i5i h THR 423 Cb 0.62 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3i5i h THR 423 CO 0.04 0.04 -0.31 0.78 0.37 0.00 0.00 175.52 176.45 3i5i h ASN 424 N 0.24 -0.75 -0.81 4.18 2.35 -1.66 -0.58 115.58 118.54 3i5i h ASN 424 Ca 0.31 0.03 0.20 0.00 -0.55 0.00 0.00 56.30 56.29 3i5i h ASN 424 Cb 0.46 0.21 -0.15 0.00 0.05 0.00 0.00 38.32 38.89 3i5i h ASN 424 CO -0.41 -0.50 -0.09 -0.24 -1.65 0.00 0.00 177.43 174.55 3i5i n SER 425 N -4.29 -0.19 0.19 5.81 2.88 -0.66 0.11 113.62 117.48 3i5i n SER 425 Ca -0.10 1.39 -0.14 0.00 -1.33 0.00 0.00 58.87 58.69 3i5i n SER 425 Cb 0.33 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 63.24 3i5i n SER 425 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3i5i h ILE 426 N 0.00 0.68 -0.79 2.46 2.04 -0.04 -1.27 117.51 120.59 3i5i h ILE 426 Ca 0.45 -0.29 0.17 0.00 1.00 0.00 0.00 64.86 66.19 3i5i h ILE 426 Cb 0.82 0.83 -0.11 0.00 -0.74 0.00 0.00 36.82 37.62 3i5i h ILE 426 CO -0.80 0.06 0.28 0.00 0.00 0.00 0.00 178.15 177.68 3i5i h ALA 427 N -0.02 1.13 -0.69 1.87 0.00 0.25 0.96 119.26 122.76 3i5i h ALA 427 Ca -0.05 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3i5i h ALA 427 Cb 0.45 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3i5i h ALA 427 CO 0.08 -0.30 0.14 0.00 0.00 0.00 0.00 179.25 179.17 3i5i h ALA 428 N 1.62 0.94 0.09 0.00 0.00 -0.39 -1.62 119.26 119.90 3i5i h ALA 428 Ca 0.46 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3i5i h ALA 428 Cb 0.79 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3i5i h ALA 428 CO -0.49 0.67 -0.31 1.25 0.00 0.00 0.00 179.25 180.38 3i5i h LEU 429 N 1.06 -0.89 -0.39 0.00 5.85 0.38 0.19 115.31 121.51 3i5i h LEU 429 Ca 0.22 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.08 3i5i h LEU 429 Cb 0.41 0.34 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 3i5i h LEU 429 CO 0.01 -0.39 -0.41 0.00 -0.34 0.00 0.00 178.44 177.31 3i5i h ALA 430 N 0.19 -0.60 -0.45 1.25 0.00 -0.77 0.49 119.26 119.37 3i5i h ALA 430 Ca 0.04 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3i5i h ALA 430 Cb 0.55 1.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 3i5i h ALA 430 CO -0.20 -0.82 -0.12 0.87 0.00 0.00 0.00 179.25 178.98 3i5i h LYS 431 N -0.23 -0.01 -0.93 0.00 1.57 -0.99 0.13 116.57 116.11 3i5i h LYS 431 Ca 0.07 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 3i5i h LYS 431 Cb 0.41 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 3i5i h LYS 431 CO -0.49 -0.01 0.58 1.03 -0.57 0.00 0.00 179.45 179.99 3i5i h SER 432 N -0.01 0.89 0.43 0.86 0.87 0.49 0.23 113.55 117.31 3i5i h SER 432 Ca 0.21 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 3i5i h SER 432 Cb 0.34 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3i5i h SER 432 CO -0.46 0.54 -0.21 0.25 -0.53 0.00 0.00 176.83 176.42 3i5i h LEU 433 N 1.01 -0.49 -1.07 2.23 5.85 0.24 -2.17 115.31 120.91 3i5i h LEU 433 Ca 0.42 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.26 3i5i h LEU 433 Cb 0.26 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 3i5i h LEU 433 CO -0.20 -0.32 0.62 0.22 -0.34 0.00 0.00 178.44 178.42 3i5i h TYR 434 N -0.62 1.07 -0.50 1.25 3.20 -0.03 0.39 116.97 121.73 3i5i h TYR 434 Ca -0.06 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 3i5i h TYR 434 Cb 0.47 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3i5i h TYR 434 CO -0.04 0.40 -0.07 0.22 -1.64 0.00 0.00 178.16 177.04 3i5i h ASP 435 N 0.91 0.93 0.42 -2.11 3.58 -0.36 -0.63 116.42 119.16 3i5i h ASP 435 Ca 0.50 -0.34 -0.18 0.00 0.42 0.00 0.00 57.03 57.43 3i5i h ASP 435 Cb 0.57 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3i5i h ASP 435 CO -0.26 1.05 -0.75 0.03 -2.88 0.00 0.00 179.24 176.42 3i5i h ARG 436 N 0.79 0.27 -0.45 0.28 3.08 -0.74 -2.05 114.38 115.55 3i5i h ARG 436 Ca 0.13 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3i5i h ARG 436 Cb 0.61 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 3i5i h ARG 436 CO 0.04 0.90 0.26 0.52 -1.07 0.00 0.00 179.97 180.62 3i5i h MET 437 N 0.18 0.61 -0.26 0.04 2.86 -0.74 -0.61 114.93 117.00 3i5i h MET 437 Ca -0.03 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 3i5i h MET 437 Cb 1.32 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 3i5i h MET 437 CO 0.12 0.46 -0.34 0.35 1.06 0.00 0.00 176.91 178.56 3i5i h PHE 438 N 0.59 0.67 0.07 -0.22 3.57 -0.95 0.14 116.94 120.80 3i5i h PHE 438 Ca 0.16 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3i5i h PHE 438 Cb 0.02 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3i5i h PHE 438 CO -0.03 0.84 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.95 3i5i h ASN 439 N 0.49 -0.08 -0.19 0.41 2.35 -1.22 -2.21 115.58 115.13 3i5i h ASN 439 Ca 0.05 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.57 3i5i h ASN 439 Cb 0.82 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.17 3i5i h ASN 439 CO 0.07 0.22 -0.33 -0.25 -1.65 0.00 0.00 177.43 175.48 3i5i h TRP 440 N -0.38 -1.01 -0.99 1.19 7.01 -0.80 0.19 115.95 121.17 3i5i h TRP 440 Ca -0.01 0.05 0.39 0.00 2.11 0.00 0.00 58.89 61.42 3i5i h TRP 440 Cb 0.33 0.47 -0.18 0.00 -2.10 0.00 0.00 29.16 27.68 3i5i h TRP 440 CO 0.02 -0.31 0.43 -0.11 -2.79 0.00 0.00 178.44 175.68 3i5i n LEU 441 N -4.30 0.25 -0.05 0.65 7.94 0.47 -0.12 117.00 121.84 3i5i n LEU 441 Ca -0.03 1.65 -0.14 0.00 -1.11 0.00 0.00 56.01 56.39 3i5i n LEU 441 Cb 0.21 -0.76 -0.07 0.00 0.53 0.00 0.00 43.42 43.33 3i5i n LEU 441 CO 0.02 -1.81 0.55 0.58 -1.11 0.00 0.00 177.39 175.62 3i5i h VAL 442 N 0.00 1.36 -1.03 1.96 2.07 -0.07 -2.96 116.25 117.59 3i5i h VAL 442 Ca 0.79 -1.43 0.27 0.00 0.82 0.00 0.00 66.70 67.15 3i5i h VAL 442 Cb 2.02 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 33.69 3i5i h VAL 442 CO -0.80 0.42 0.69 -0.09 0.02 0.00 0.00 177.57 177.82 3i5i h ARG 443 N -0.01 0.27 0.31 1.57 2.43 0.15 -2.15 114.38 116.95 3i5i h ARG 443 Ca 0.01 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3i5i h ARG 443 Cb 0.77 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3i5i h ARG 443 CO 0.05 0.18 -0.15 0.00 -1.51 0.00 0.00 179.97 178.54 3i5i h ARG 444 N 0.28 -0.40 -0.28 0.20 2.47 -1.23 -1.89 114.38 113.53 3i5i h ARG 444 Ca 0.55 0.03 0.08 0.00 -1.26 0.00 0.00 59.98 59.38 3i5i h ARG 444 Cb 1.62 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 30.02 3i5i h ARG 444 CO -0.19 -0.07 0.20 -0.39 0.56 0.00 0.00 179.97 180.08 3i5i h VAL 445 N -0.82 0.84 -0.39 2.04 -1.51 -1.36 0.62 116.25 115.67 3i5i h VAL 445 Ca -0.04 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.33 3i5i h VAL 445 Cb 0.52 0.86 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 3i5i h VAL 445 CO 0.07 0.00 -0.14 0.78 -1.23 0.00 0.00 177.57 177.05 3i5i h ASN 446 N 0.00 0.70 -0.34 4.19 2.35 -1.25 0.35 115.58 121.58 3i5i h ASN 446 Ca 0.13 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 3i5i h ASN 446 Cb 0.54 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3i5i h ASN 446 CO -0.00 0.86 -0.20 1.56 -1.65 0.00 0.00 177.43 177.99 3i5i h GLN 447 N 0.64 0.82 -0.47 0.81 4.20 0.93 0.40 115.11 122.44 3i5i h GLN 447 Ca 0.11 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 3i5i h GLN 447 Cb 0.60 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3i5i h GLN 447 CO 0.04 0.95 0.23 1.15 -0.67 0.00 0.00 178.83 180.53 3i5i h THR 448 N 0.72 1.16 0.18 -0.54 2.02 0.31 -3.06 112.91 113.69 3i5i h THR 448 Ca 0.10 -0.45 -0.31 0.00 0.77 0.00 0.00 66.41 66.52 3i5i h THR 448 Cb 0.72 0.56 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3i5i h THR 448 CO 0.06 0.18 -1.44 -0.07 0.37 0.00 0.00 175.52 174.62 3i5i h LEU 449 N 0.66 0.58 -3.83 2.58 3.38 0.80 -3.38 115.31 116.09 3i5i h LEU 449 Ca 0.17 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3i5i h LEU 449 Cb 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3i5i h LEU 449 CO -0.02 1.54 0.00 -0.67 0.09 0.00 0.00 178.44 179.38 3i5i n ASP 450 N -3.58 0.54 -4.15 -0.43 -0.08 0.13 -4.43 116.55 104.55 3i5i n ASP 450 Ca -0.15 -1.11 -0.43 0.00 -1.51 0.00 0.00 54.79 51.59 3i5i n ASP 450 Cb 1.06 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 44.41 3i5i n ASP 450 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3i5i n THR 451 N 1.91 3.98 -3.32 5.18 -1.04 -1.26 -4.87 114.28 114.86 3i5i n THR 451 Ca 0.00 -4.02 -0.22 0.00 -2.04 0.00 0.00 64.05 57.77 3i5i n THR 451 Cb 0.05 -2.45 0.04 0.00 -1.82 0.00 0.00 70.33 66.16 3i5i n THR 451 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3i5i s LYS 452 N 2.41 2.26 0.00 -2.82 -2.85 -1.26 -4.93 119.74 112.56 3i5i s LYS 452 Ca 0.46 -1.79 0.00 0.00 -1.00 0.00 0.00 55.97 53.64 3i5i s LYS 452 Cb 0.07 -2.46 0.00 0.00 -2.06 0.00 0.00 37.83 33.38 3i5i s LYS 452 CO -0.00 -0.82 0.00 0.00 0.10 0.00 0.00 175.35 174.63 3i5i n ALA 453 N -2.11 0.00 -3.73 0.59 0.00 -1.26 -5.11 120.51 108.89 3i5i n ALA 453 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.37 3i5i n ALA 453 Cb 0.63 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.91 3i5i n ALA 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i5i s LYS 454 N 1.27 0.03 0.20 0.00 2.20 -1.26 -5.15 119.74 117.03 3i5i s LYS 454 Ca 0.00 0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.73 3i5i s LYS 454 Cb 0.00 -0.39 -0.07 0.00 -1.51 0.00 0.00 37.83 35.86 3i5i s LYS 454 CO 0.00 -0.21 0.54 1.03 -0.36 0.00 0.00 175.35 176.34 3i5i s ARG 455 N 1.41 3.84 0.00 4.03 0.52 -1.26 -4.62 118.95 122.87 3i5i s ARG 455 Ca -0.05 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 3i5i s ARG 455 Cb -0.13 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.60 3i5i s ARG 455 CO -0.03 0.37 0.00 0.94 0.02 0.00 0.00 175.30 176.60 3i5i n GLN 456 N 0.15 0.66 -3.17 3.54 -0.06 -0.92 -5.02 117.38 112.57 3i5i n GLN 456 Ca -0.01 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.88 3i5i n GLN 456 Cb 0.52 -0.73 -0.04 0.00 -4.06 0.00 0.00 30.24 25.93 3i5i n GLN 456 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 3i5i n PHE 457 N -1.68 -0.45 -3.48 3.69 3.72 -1.10 -5.01 117.46 113.15 3i5i n PHE 457 Ca 0.00 -1.47 -0.11 0.00 -0.05 0.00 0.00 57.45 55.82 3i5i n PHE 457 Cb 0.23 0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 3i5i n PHE 457 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3i5i s PHE 458 N -2.77 -0.45 -0.36 1.38 -0.12 -1.26 -2.88 117.98 111.51 3i5i s PHE 458 Ca 0.21 0.40 0.00 0.00 -0.05 0.00 0.00 56.93 57.49 3i5i s PHE 458 Cb 0.01 0.52 0.12 0.00 -0.63 0.00 0.00 43.02 43.04 3i5i s PHE 458 CO 0.15 -0.64 0.16 0.42 -0.05 0.00 0.00 175.22 175.25 3i5i s ILE 459 N -2.94 1.05 0.51 -4.49 1.01 -1.04 0.76 121.20 116.06 3i5i s ILE 459 Ca 0.01 -1.87 -0.06 0.00 0.00 0.00 0.00 60.65 58.73 3i5i s ILE 459 Cb -0.01 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 3i5i s ILE 459 CO -0.07 -0.78 0.83 -0.83 0.00 0.00 0.00 174.94 174.09 3i5i s GLY 460 N 1.10 1.54 -0.08 6.18 0.00 0.85 -2.73 107.32 114.19 3i5i s GLY 460 Ca 0.13 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.47 3i5i s GLY 460 CO -0.13 -0.23 -0.16 0.14 0.00 0.00 0.00 173.10 172.71 3i5i s VAL 461 N -2.82 1.46 -0.16 1.40 1.01 -0.37 0.64 120.40 121.56 3i5i s VAL 461 Ca 0.49 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 3i5i s VAL 461 Cb -0.10 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 3i5i s VAL 461 CO 0.46 0.43 -0.09 -0.22 0.00 0.00 0.00 175.10 175.68 3i5i s LEU 462 N 0.55 2.85 -0.26 3.92 2.96 0.38 -0.29 118.68 128.79 3i5i s LEU 462 Ca -0.16 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3i5i s LEU 462 Cb -0.17 -1.67 0.05 0.00 0.50 0.00 0.00 46.19 44.90 3i5i s LEU 462 CO 0.06 0.12 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.50 3i5i s ASP 463 N 0.64 4.41 0.00 3.68 -1.08 0.12 -2.46 116.67 121.97 3i5i s ASP 463 Ca -0.05 -1.24 0.00 0.00 -0.52 0.00 0.00 52.55 50.74 3i5i s ASP 463 Cb -0.15 -1.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.72 3i5i s ASP 463 CO 0.03 -0.18 0.00 0.00 0.52 0.00 0.00 175.17 175.54 3i5i n ILE 464 N 4.52 0.00 0.00 4.11 0.13 -1.26 -0.84 119.36 126.02 3i5i n ILE 464 Ca -0.15 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.50 3i5i n ILE 464 Cb 0.44 -0.14 0.00 0.00 -0.84 0.00 0.00 39.64 39.10 3i5i n ILE 464 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i5i n ALA 465 N -3.00 0.00 0.00 1.51 0.00 -1.26 -4.91 120.51 112.85 3i5i n ALA 465 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i5i n ALA 465 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i5i n ALA 465 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5i n GLY 466 N 3.81 -0.71 2.73 0.00 0.00 -1.26 -4.83 105.19 104.93 3i5i n GLY 466 Ca 0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 3i5i n GLY 466 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i5i s PHE 467 N -3.92 0.67 -0.09 1.61 5.36 -1.26 -4.54 117.98 115.81 3i5i s PHE 467 Ca 0.00 -0.36 -0.09 0.00 -0.96 0.00 0.00 56.93 55.52 3i5i s PHE 467 Cb 0.00 -0.83 -0.04 0.00 -0.34 0.00 0.00 43.02 41.81 3i5i s PHE 467 CO 0.00 -0.43 0.21 -1.21 -1.46 0.00 0.00 175.22 172.33 3i5i s GLU 468 N 1.98 3.59 -0.11 10.12 2.02 -1.26 -4.96 118.70 130.07 3i5i s GLU 468 Ca 0.03 0.00 -0.04 0.00 0.02 0.00 0.00 54.97 54.99 3i5i s GLU 468 Cb -0.14 -3.21 0.05 0.00 0.10 0.00 0.00 34.13 30.93 3i5i s GLU 468 CO -0.06 0.73 0.11 0.42 0.02 0.00 0.00 175.26 176.48 3i5i s ILE 469 N -0.97 -0.15 0.42 -1.63 1.01 -1.26 -4.92 121.20 113.70 3i5i s ILE 469 Ca 0.17 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3i5i s ILE 469 Cb -0.13 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 41.96 3i5i s ILE 469 CO 0.06 -0.03 0.02 0.49 0.00 0.00 0.00 174.94 175.48 3i5i n PHE 470 N 5.30 0.88 0.16 3.97 0.99 -1.26 -5.00 117.46 122.50 3i5i n PHE 470 Ca -0.05 -2.07 0.04 0.00 -0.00 0.00 0.00 57.45 55.37 3i5i n PHE 470 Cb 0.50 -0.28 0.11 0.00 -1.00 0.00 0.00 39.48 38.80 3i5i n PHE 470 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3i5i h ASP 471 N 0.99 0.00 -3.21 4.37 3.32 -2.01 -3.40 116.42 116.48 3i5i h ASP 471 Ca -0.35 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.12 3i5i h ASP 471 Cb 1.06 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.21 3i5i h ASP 471 CO 0.57 0.44 -0.76 0.12 -1.72 0.00 0.00 179.24 177.90 3i5i s PHE 472 N -3.10 1.82 -0.20 4.55 5.36 -1.26 -4.96 117.98 120.19 3i5i s PHE 472 Ca 0.03 -1.76 -0.08 0.00 -0.96 0.00 0.00 56.93 54.17 3i5i s PHE 472 Cb 0.08 -1.74 -0.04 0.00 -0.34 0.00 0.00 43.02 40.98 3i5i s PHE 472 CO 0.73 -0.86 0.07 -0.80 -1.46 0.00 0.00 175.22 172.90 3i5i s ASN 473 N 1.58 5.59 0.00 6.13 0.01 -1.26 -5.02 114.94 121.97 3i5i s ASN 473 Ca 0.08 0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 3i5i s ASN 473 Cb -0.17 -1.97 0.00 0.00 0.41 0.00 0.00 41.25 39.51 3i5i s ASN 473 CO -0.22 0.12 0.00 -0.24 -1.51 0.00 0.00 177.10 175.25 3i5i n SER 474 N 3.87 1.22 -0.42 -1.22 2.88 -1.26 -1.17 113.62 117.53 3i5i n SER 474 Ca -0.16 -0.79 0.38 0.00 -1.33 0.00 0.00 58.87 56.97 3i5i n SER 474 Cb 0.52 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.57 3i5i n SER 474 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3i5i n PHE 475 N 0.00 0.00 -0.01 0.66 7.35 -1.26 0.08 117.46 124.27 3i5i n PHE 475 Ca 0.00 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.53 3i5i n PHE 475 Cb 0.00 -0.35 -0.11 0.00 0.35 0.00 0.00 39.48 39.37 3i5i n PHE 475 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3i5i h GLU 476 N 0.00 0.31 -0.10 -4.13 3.07 -1.98 -2.72 114.58 109.04 3i5i h GLU 476 Ca 0.67 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3i5i h GLU 476 Cb 3.22 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 31.21 3i5i h GLU 476 CO -0.01 1.01 0.05 1.96 -1.40 0.00 0.00 179.01 180.62 3i5i h GLN 477 N -0.26 0.14 -0.21 2.33 7.50 -0.72 -1.83 115.11 122.05 3i5i h GLN 477 Ca -0.05 -0.02 0.06 0.00 0.50 0.00 0.00 58.65 59.14 3i5i h GLN 477 Cb 1.15 -0.03 -0.07 0.00 0.05 0.00 0.00 27.48 28.58 3i5i h GLN 477 CO 0.08 0.18 -0.28 1.25 -1.50 0.00 0.00 178.83 178.57 3i5i h LEU 478 N 0.05 -0.88 -0.46 1.46 5.85 -1.56 0.17 115.31 119.94 3i5i h LEU 478 Ca 0.03 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.99 3i5i h LEU 478 Cb 0.09 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 3i5i h LEU 478 CO -0.01 -0.31 -0.24 0.00 -0.34 0.00 0.00 178.44 177.55 3i5i h ILE 480 N -0.14 1.16 -0.12 0.00 2.04 -0.60 -2.52 117.51 117.32 3i5i h ILE 480 Ca 0.21 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 3i5i h ILE 480 Cb 0.48 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3i5i h ILE 480 CO -0.55 0.16 -0.15 0.78 0.00 0.00 0.00 178.15 178.40 3i5i h ASN 481 N 0.63 0.18 -0.66 1.72 2.35 0.31 0.33 115.58 120.44 3i5i h ASN 481 Ca 0.17 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3i5i h ASN 481 Cb 0.02 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3i5i h ASN 481 CO -0.03 0.34 0.25 0.22 -1.65 0.00 0.00 177.43 176.57 3i5i h TYR 482 N 0.18 1.04 0.08 1.19 3.20 -0.52 0.18 116.97 122.31 3i5i h TYR 482 Ca 0.04 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 3i5i h TYR 482 Cb 0.37 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3i5i h TYR 482 CO 0.00 0.80 -0.04 1.15 -1.64 0.00 0.00 178.16 178.44 3i5i h THR 483 N 0.99 1.15 -0.62 1.81 2.02 -0.59 -2.27 112.91 115.41 3i5i h THR 483 Ca 0.23 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 3i5i h THR 483 Cb 0.22 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 3i5i h THR 483 CO -0.02 0.22 0.21 0.78 0.37 0.00 0.00 175.52 177.08 3i5i h ASN 484 N -0.53 0.86 -0.44 4.18 2.35 -0.99 -1.03 115.58 119.98 3i5i h ASN 484 Ca -0.01 -0.14 0.09 0.00 -0.55 0.00 0.00 56.30 55.69 3i5i h ASN 484 Cb 0.44 -0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.51 3i5i h ASN 484 CO 0.02 0.80 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.40 3i5i h GLU 485 N 0.91 -0.02 0.00 0.81 4.57 -0.58 1.10 114.58 121.37 3i5i h GLU 485 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3i5i h GLU 485 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3i5i h GLU 485 CO -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 179.01 177.81 3i5i h ARG 486 N -0.02 0.00 0.10 1.92 3.08 -0.75 -1.46 114.38 117.26 3i5i h ARG 486 Ca 0.21 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.02 3i5i h ARG 486 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3i5i h ARG 486 CO -0.46 0.00 -1.24 -0.07 -1.07 0.00 0.00 179.97 177.13 3i5i h LEU 487 N 0.00 0.34 -1.14 3.04 3.38 0.21 -2.91 115.31 118.23 3i5i h LEU 487 Ca 0.00 -0.85 0.01 0.00 0.09 0.00 0.00 57.88 57.13 3i5i h LEU 487 Cb 0.30 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3i5i h LEU 487 CO 0.00 1.54 0.56 -0.61 0.09 0.00 0.00 178.44 180.02 3i5i h GLN 488 N -0.41 1.14 -0.17 1.13 5.75 0.62 -1.38 115.11 121.78 3i5i h GLN 488 Ca -0.27 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 3i5i h GLN 488 Cb 1.66 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.95 3i5i h GLN 488 CO 0.04 0.76 0.11 0.37 -2.65 0.00 0.00 178.83 177.46 3i5i h GLN 489 N 1.17 0.21 -0.95 1.69 4.15 -1.37 0.21 115.11 120.22 3i5i h GLN 489 Ca 0.31 -0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.91 3i5i h GLN 489 Cb -0.12 -0.05 -0.11 0.00 0.21 0.00 0.00 27.48 27.41 3i5i h GLN 489 CO -0.07 0.14 0.53 0.35 -1.93 0.00 0.00 178.83 177.86 3i5i h PHE 490 N 0.22 0.92 0.42 3.99 3.57 -1.08 0.19 116.94 125.17 3i5i h PHE 490 Ca 0.06 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3i5i h PHE 490 Cb -0.02 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.46 3i5i h PHE 490 CO -0.07 0.15 -0.20 0.35 -2.23 0.00 0.00 178.31 176.31 3i5i h PHE 491 N 0.64 -0.52 -0.90 0.41 3.57 -0.30 -2.04 116.94 117.80 3i5i h PHE 491 Ca 0.56 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.24 3i5i h PHE 491 Cb 0.92 0.17 -0.17 0.00 2.79 0.00 0.00 35.95 39.66 3i5i h PHE 491 CO -0.05 -0.32 -0.17 0.09 -2.23 0.00 0.00 178.31 175.63 3i5i n ASN 492 N -4.00 -0.27 -0.33 0.41 4.13 0.62 0.64 115.26 116.46 3i5i n ASN 492 Ca -0.07 1.55 -0.03 0.00 1.68 0.00 0.00 54.58 57.72 3i5i n ASN 492 Cb 0.22 -0.49 0.09 0.00 -1.54 0.00 0.00 39.78 38.06 3i5i n ASN 492 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 3i5i h HIS 493 N 0.00 1.10 0.06 3.10 2.76 -0.58 0.77 115.15 122.36 3i5i h HIS 493 Ca 0.46 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.66 3i5i h HIS 493 Cb 0.77 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.36 3i5i h HIS 493 CO -0.64 0.68 -0.03 1.25 -1.30 0.00 0.00 177.93 177.89 3i5i h HIS 494 N 1.17 -0.07 -0.44 5.26 -0.00 0.96 -1.15 115.15 120.88 3i5i h HIS 494 Ca 0.33 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.79 3i5i h HIS 494 Cb -0.10 0.02 -0.09 0.00 -0.00 0.00 0.00 27.41 27.24 3i5i h HIS 494 CO -0.01 0.07 -0.23 1.98 -0.00 0.00 0.00 177.93 179.74 3i5i h MET 495 N -0.20 -0.13 -0.51 5.26 -1.53 -0.56 0.34 114.93 117.60 3i5i h MET 495 Ca -0.01 0.01 0.10 0.00 -3.44 0.00 0.00 59.70 56.36 3i5i h MET 495 Cb 0.17 0.03 -0.09 0.00 -0.55 0.00 0.00 31.60 31.16 3i5i h MET 495 CO 0.01 -0.09 -0.07 0.35 0.14 0.00 0.00 176.91 177.25 3i5i h PHE 496 N -0.14 -0.17 -0.38 1.39 3.57 -0.61 0.22 116.94 120.82 3i5i h PHE 496 Ca 0.21 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 3i5i h PHE 496 Cb 0.47 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3i5i h PHE 496 CO -0.48 -0.18 0.01 0.28 -2.23 0.00 0.00 178.31 175.71 3i5i h VAL 497 N 0.04 1.21 0.17 1.41 2.07 0.28 -1.92 116.25 119.52 3i5i h VAL 497 Ca 0.25 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3i5i h VAL 497 Cb 0.39 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3i5i h VAL 497 CO -0.49 0.29 -0.08 -0.07 0.02 0.00 0.00 177.57 177.24 3i5i h LEU 498 N 0.57 -0.19 -1.85 2.57 3.38 0.10 -2.96 115.31 116.92 3i5i h LEU 498 Ca 0.12 -0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.01 3i5i h LEU 498 Cb 0.35 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3i5i h LEU 498 CO 0.01 0.36 0.56 -0.33 0.09 0.00 0.00 178.44 179.12 3i5i h GLU 499 N -0.99 0.00 -0.24 1.13 4.39 -0.64 0.36 114.58 118.59 3i5i h GLU 499 Ca -0.02 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 3i5i h GLU 499 Cb 0.40 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3i5i h GLU 499 CO 0.04 0.00 -0.41 0.37 -1.16 0.00 0.00 179.01 177.85 3i5i h GLN 500 N 0.00 0.70 -0.00 2.33 4.15 -1.29 -0.54 115.11 120.46 3i5i h GLN 500 Ca 0.24 -0.43 -0.00 0.00 0.77 0.00 0.00 58.65 59.22 3i5i h GLN 500 Cb 1.35 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.08 3i5i h GLN 500 CO -0.00 1.05 -0.00 0.93 -1.93 0.00 0.00 178.83 178.88 3i5i h GLU 501 N 0.41 0.00 -0.73 1.69 5.08 -0.30 -2.70 114.58 118.03 3i5i h GLU 501 Ca 0.02 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 3i5i h GLU 501 Cb 1.01 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.12 3i5i h GLU 501 CO 0.09 0.42 -0.16 1.49 -1.00 0.00 0.00 179.01 179.85 3i5i h GLU 502 N -0.42 0.01 -0.42 2.33 4.57 -0.51 0.29 114.58 120.42 3i5i h GLU 502 Ca 0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3i5i h GLU 502 Cb 0.42 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3i5i h GLU 502 CO 0.00 0.01 0.21 1.88 -1.18 0.00 0.00 179.01 179.93 3i5i h TYR 503 N 0.01 0.61 -0.36 0.92 -1.99 -1.08 -2.91 116.97 112.18 3i5i h TYR 503 Ca 0.36 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 61.00 3i5i h TYR 503 Cb 0.56 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.08 3i5i h TYR 503 CO -0.57 0.49 -0.04 -0.22 -0.00 0.00 0.00 178.16 177.83 3i5i h LYS 504 N 0.55 0.58 0.00 4.88 3.64 -0.50 0.78 116.57 126.48 3i5i h LYS 504 Ca 0.15 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i5i h LYS 504 Cb 0.11 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3i5i h LYS 504 CO -0.02 0.63 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.56 3i5i h LYS 505 N 0.54 0.00 -0.01 1.90 3.64 -0.36 -1.26 116.57 121.02 3i5i h LYS 505 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3i5i h LYS 505 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3i5i h LYS 505 CO 0.02 0.01 -0.71 0.39 -2.27 0.00 0.00 179.45 176.88 3i5i n GLU 506 N -4.01 1.06 -2.12 1.90 -0.58 -0.79 -4.76 120.64 111.34 3i5i n GLU 506 Ca -0.03 -0.34 -0.05 0.00 -0.42 0.00 0.00 57.16 56.32 3i5i n GLU 506 Cb 0.09 -1.38 -0.00 0.00 -0.57 0.00 0.00 31.44 29.57 3i5i n GLU 506 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i5i n GLY 507 N 1.39 0.19 3.88 0.62 0.00 -0.23 -2.19 105.19 108.85 3i5i n GLY 507 Ca 0.05 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 3i5i n GLY 507 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5i s ILE 508 N -2.27 5.17 -0.10 -0.61 1.01 0.10 -4.96 121.20 119.54 3i5i s ILE 508 Ca 0.01 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 3i5i s ILE 508 Cb -0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 3i5i s ILE 508 CO 0.01 0.25 1.29 -0.69 0.00 0.00 0.00 174.94 175.79 3i5i s VAL 509 N -1.43 4.15 -0.46 2.92 1.01 -1.26 -4.28 120.40 121.04 3i5i s VAL 509 Ca 0.33 1.44 -0.18 0.00 0.00 0.00 0.00 61.98 63.57 3i5i s VAL 509 Cb -0.13 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.37 3i5i s VAL 509 CO 0.19 -0.07 0.51 0.86 0.00 0.00 0.00 175.10 176.60 3i5i s TRP 510 N 2.94 3.13 -0.86 5.22 -0.11 -1.26 -4.95 118.94 123.06 3i5i s TRP 510 Ca 0.58 -0.52 0.01 0.00 1.22 0.00 0.00 56.10 57.39 3i5i s TRP 510 Cb -0.25 -3.21 0.33 0.00 -1.50 0.00 0.00 33.47 28.84 3i5i s TRP 510 CO 0.20 -0.85 1.47 -0.85 -4.62 0.00 0.00 176.95 172.30 3i5i n GLU 511 N 5.78 4.56 -3.79 5.86 0.28 -1.26 -5.02 120.64 127.04 3i5i n GLU 511 Ca -0.08 -4.74 -0.13 0.00 -0.16 0.00 0.00 57.16 52.06 3i5i n GLU 511 Cb 0.46 -2.38 -0.10 0.00 1.43 0.00 0.00 31.44 30.84 3i5i n GLU 511 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3i5i s PHE 512 N -3.95 -0.20 -0.09 -1.84 2.99 -1.26 -5.13 117.98 108.50 3i5i s PHE 512 Ca 0.43 0.44 -0.11 0.00 0.00 0.00 0.00 56.93 57.69 3i5i s PHE 512 Cb 0.22 0.07 -0.05 0.00 0.00 0.00 0.00 43.02 43.26 3i5i s PHE 512 CO -0.13 -0.23 0.25 -1.50 -0.00 0.00 0.00 175.22 173.62 3i5i s ILE 513 N -0.50 5.31 0.03 0.64 2.07 -1.26 -4.99 121.20 122.50 3i5i s ILE 513 Ca -0.06 0.47 -0.09 0.00 -1.41 0.00 0.00 60.65 59.55 3i5i s ILE 513 Cb -0.04 -3.54 -0.05 0.00 0.13 0.00 0.00 42.46 38.96 3i5i s ILE 513 CO 0.02 0.57 0.22 -0.67 -1.91 0.00 0.00 174.94 173.17 3i5i n ASP 514 N 2.16 -0.16 0.17 4.50 -0.08 -1.26 -4.81 116.55 117.07 3i5i n ASP 514 Ca -0.17 0.31 0.04 0.00 -1.51 0.00 0.00 54.79 53.46 3i5i n ASP 514 Cb 0.54 -0.26 0.25 0.00 2.34 0.00 0.00 41.12 43.99 3i5i n ASP 514 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3i5i h PHE 515 N 0.56 0.00 -0.98 -0.67 0.04 -1.91 -2.96 116.94 111.02 3i5i h PHE 515 Ca -0.11 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.81 3i5i h PHE 515 Cb 0.39 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.45 3i5i h PHE 515 CO 0.14 0.45 0.62 0.78 -0.60 0.00 0.00 178.31 179.70 3i5i h GLY 516 N 2.25 1.58 1.47 -1.45 0.00 -1.80 -2.12 103.07 103.00 3i5i h GLY 516 Ca -0.00 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 46.99 3i5i h GLY 516 CO 0.06 0.08 0.23 1.41 0.00 0.00 0.00 176.54 178.32 3i5i h LEU 517 N 0.85 0.00 0.00 3.11 3.38 -1.86 -1.90 115.31 118.89 3i5i h LEU 517 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3i5i h LEU 517 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3i5i h LEU 517 CO -0.28 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.72 3i5i n ASP 518 N -3.38 0.00 -0.10 -0.43 8.00 -0.80 -1.91 116.55 117.94 3i5i n ASP 518 Ca 0.00 0.44 0.06 0.00 0.71 0.00 0.00 54.79 56.00 3i5i n ASP 518 Cb 0.33 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 3i5i n ASP 518 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i5i n LEU 519 N -1.47 0.85 -0.00 0.64 4.77 -0.71 -4.54 117.00 116.53 3i5i n LEU 519 Ca 0.03 -0.60 0.02 0.00 -0.03 0.00 0.00 56.01 55.44 3i5i n LEU 519 Cb 0.14 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.59 3i5i n LEU 519 CO 0.11 0.19 1.06 -0.61 -1.33 0.00 0.00 177.39 176.81 3i5i h GLN 520 N 0.50 0.54 0.05 3.23 5.75 -1.46 -1.37 115.11 122.35 3i5i h GLN 520 Ca 0.00 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3i5i h GLN 520 Cb 0.33 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3i5i h GLN 520 CO 0.00 0.45 -0.08 0.00 -2.65 0.00 0.00 178.83 176.55 3i5i h ALA 521 N 1.63 -0.72 -0.12 3.38 0.00 -1.80 0.55 119.26 122.18 3i5i h ALA 521 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3i5i h ALA 521 Cb 0.12 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3i5i h ALA 521 CO -0.01 -0.73 -0.49 0.00 0.00 0.00 0.00 179.25 178.01 3i5i h ILE 523 N -0.56 0.19 -0.69 0.00 2.04 -1.10 0.53 117.51 117.92 3i5i h ILE 523 Ca 0.05 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3i5i h ILE 523 Cb 0.67 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3i5i h ILE 523 CO -0.42 0.01 0.38 -0.33 0.00 0.00 0.00 178.15 177.78 3i5i h GLU 524 N 0.03 0.97 0.00 2.37 5.08 0.22 -0.58 114.58 122.67 3i5i h GLU 524 Ca 0.44 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3i5i h GLU 524 Cb 0.75 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3i5i h GLU 524 CO -0.82 0.73 0.00 -0.11 -1.00 0.00 0.00 179.01 177.81 3i5i n LEU 525 N -4.50 0.00 -0.08 1.33 7.94 0.18 -1.43 117.00 120.45 3i5i n LEU 525 Ca 0.06 0.46 -0.14 0.00 -1.11 0.00 0.00 56.01 55.27 3i5i n LEU 525 Cb 0.09 -0.46 -0.05 0.00 0.53 0.00 0.00 43.42 43.54 3i5i n LEU 525 CO 0.38 -0.41 -0.86 -0.38 -1.11 0.00 0.00 177.39 175.00 3i5i n ILE 526 N -1.46 1.22 0.13 1.96 5.41 -0.63 -2.13 119.36 123.86 3i5i n ILE 526 Ca 0.01 -0.06 -0.10 0.00 1.00 0.00 0.00 62.75 63.60 3i5i n ILE 526 Cb 0.03 -1.92 -0.06 0.00 -0.71 0.00 0.00 39.64 36.98 3i5i n ILE 526 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3i5i h GLU 527 N -0.70 -0.38 -4.70 0.38 5.08 -0.98 -2.93 114.58 110.34 3i5i h GLU 527 Ca -0.28 0.03 -0.63 0.00 -1.00 0.00 0.00 59.36 57.48 3i5i h GLU 527 Cb 1.11 0.09 0.03 0.00 0.50 0.00 0.00 28.75 30.48 3i5i h GLU 527 CO -0.17 -0.08 0.13 1.63 -1.00 0.00 0.00 179.01 179.53 3i5i n LYS 528 N -5.05 0.00 -1.36 2.33 4.76 -0.51 -4.58 118.16 113.75 3i5i n LYS 528 Ca -0.08 0.00 -0.57 0.00 -2.87 0.00 0.00 58.31 54.80 3i5i n LYS 528 Cb 0.25 -1.18 -0.10 0.00 -1.84 0.00 0.00 35.03 32.16 3i5i n LYS 528 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3i5i n PRO 529 N 1.51 0.46 -1.47 1.97 -0.02 -1.26 0.47 135.00 136.66 3i5i n PRO 529 Ca 0.17 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3i5i n PRO 529 Cb 0.04 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3i5i n PRO 529 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3i5i n MET 530 N 7.59 0.00 -3.21 -0.52 2.81 -1.26 -5.08 117.12 117.45 3i5i n MET 530 Ca 0.48 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 56.24 3i5i n MET 530 Cb 0.07 -1.74 -0.04 0.00 -0.71 0.00 0.00 33.22 30.81 3i5i n MET 530 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i5i n GLY 531 N -0.61 3.65 0.00 3.03 0.00 0.18 -4.90 105.19 106.53 3i5i n GLY 531 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3i5i n GLY 531 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i5i n ILE 532 N -0.45 0.00 -0.13 -0.61 5.41 -0.91 -0.29 119.36 122.39 3i5i n ILE 532 Ca -0.02 1.29 -0.07 0.00 1.00 0.00 0.00 62.75 64.95 3i5i n ILE 532 Cb 0.31 -1.82 -0.01 0.00 -0.71 0.00 0.00 39.64 37.41 3i5i n ILE 532 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3i5i h LEU 533 N 0.00 -1.04 -2.08 1.39 3.38 -1.79 0.13 115.31 115.29 3i5i h LEU 533 Ca 0.00 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3i5i h LEU 533 Cb 0.00 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3i5i h LEU 533 CO 0.00 -0.31 -0.08 0.28 0.09 0.00 0.00 178.44 178.42 3i5i h SER 534 N -0.23 0.00 -0.02 -0.43 0.02 -1.73 0.27 113.55 111.43 3i5i h SER 534 Ca 0.18 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.90 3i5i h SER 534 Cb 0.53 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.08 3i5i h SER 534 CO -0.55 0.08 -0.86 0.40 -1.14 0.00 0.00 176.83 174.76 3i5i h ILE 535 N 0.00 1.30 0.39 3.27 2.04 0.75 -2.76 117.51 122.50 3i5i h ILE 535 Ca -0.00 -2.11 -0.02 0.00 1.00 0.00 0.00 64.86 63.73 3i5i h ILE 535 Cb 0.25 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3i5i h ILE 535 CO 0.01 0.66 -0.19 0.25 0.00 0.00 0.00 178.15 178.88 3i5i h LEU 536 N 0.45 -0.44 -0.24 1.44 5.85 0.14 -2.03 115.31 120.48 3i5i h LEU 536 Ca -0.07 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3i5i h LEU 536 Cb 1.50 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.57 3i5i h LEU 536 CO 0.17 -0.20 -0.47 -0.33 -0.34 0.00 0.00 178.44 177.27 3i5i h GLU 537 N -0.67 -0.45 -0.79 1.25 5.08 -0.64 0.16 114.58 118.52 3i5i h GLU 537 Ca -0.05 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3i5i h GLU 537 Cb 0.48 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 3i5i h GLU 537 CO 0.09 -0.30 0.46 0.93 -1.00 0.00 0.00 179.01 179.19 3i5i h GLU 538 N -0.47 0.79 0.00 2.33 5.08 -1.52 0.70 114.58 121.49 3i5i h GLU 538 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3i5i h GLU 538 Cb 0.63 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3i5i h GLU 538 CO -0.48 0.52 0.00 -1.91 -1.00 0.00 0.00 179.01 176.14 3i5i n GLU 539 N -4.72 0.16 0.12 2.33 4.07 -0.58 -1.23 120.64 120.77 3i5i n GLU 539 Ca 0.12 0.18 0.12 0.00 -0.06 0.00 0.00 57.16 57.52 3i5i n GLU 539 Cb 0.22 -1.50 0.25 0.00 -0.06 0.00 0.00 31.44 30.35 3i5i n GLU 539 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i5i n MET 541 N -2.43 2.49 -3.80 0.00 2.81 -0.37 -4.76 117.12 111.05 3i5i n MET 541 Ca 0.04 -1.96 -0.35 0.00 -1.81 0.00 0.00 57.70 53.63 3i5i n MET 541 Cb 0.47 -1.52 -0.11 0.00 -0.71 0.00 0.00 33.22 31.34 3i5i n MET 541 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i5i s PHE 542 N -1.46 3.47 0.00 2.03 0.40 -1.25 -5.02 117.98 116.17 3i5i s PHE 542 Ca 0.36 -2.72 -0.01 0.00 -0.60 0.00 0.00 56.93 53.96 3i5i s PHE 542 Cb 0.20 -3.12 -0.00 0.00 0.51 0.00 0.00 43.02 40.61 3i5i s PHE 542 CO 0.22 -0.88 0.07 -2.30 0.70 0.00 0.00 175.22 173.03 3i5i n PRO 543 N 3.88 -0.01 -0.08 0.24 -0.02 -1.26 0.33 135.00 138.07 3i5i n PRO 543 Ca 0.04 0.07 0.02 0.00 -2.02 0.00 0.00 63.50 61.61 3i5i n PRO 543 Cb 0.39 -0.11 0.06 0.00 -0.02 0.00 0.00 33.50 33.82 3i5i n PRO 543 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i5i n LYS 544 N -3.15 1.36 -0.77 -0.52 4.76 -1.26 -4.89 118.16 113.70 3i5i n LYS 544 Ca 0.00 -0.46 -0.33 0.00 -2.87 0.00 0.00 58.31 54.66 3i5i n LYS 544 Cb 0.01 -1.22 0.13 0.00 -1.84 0.00 0.00 35.03 32.12 3i5i n LYS 544 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i5i n ALA 545 N -0.09 -2.59 -3.14 7.82 0.00 0.98 -4.97 120.51 118.53 3i5i n ALA 545 Ca 0.04 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.70 3i5i n ALA 545 Cb 0.17 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 3i5i n ALA 545 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i5i s SER 546 N -2.07 -0.29 0.62 0.00 0.15 -1.26 -4.93 113.70 105.92 3i5i s SER 546 Ca 0.58 -0.32 0.26 0.00 0.70 0.00 0.00 55.95 57.17 3i5i s SER 546 Cb -0.20 0.52 1.24 0.00 -1.71 0.00 0.00 66.02 65.86 3i5i s SER 546 CO 0.66 -0.92 1.68 0.44 1.20 0.00 0.00 173.24 176.30 3i5i h ASP 547 N 2.27 0.00 0.10 5.45 5.19 -1.94 0.29 116.42 127.77 3i5i h ASP 547 Ca -0.33 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.72 3i5i h ASP 547 Cb 1.27 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 3i5i h ASP 547 CO 0.43 0.00 -2.02 0.41 -3.12 0.00 0.00 179.24 174.94 3i5i n THR 548 N -3.29 1.73 -0.34 0.35 -1.04 -1.26 -2.98 114.28 107.46 3i5i n THR 548 Ca 0.08 -0.61 0.05 0.00 -2.04 0.00 0.00 64.05 61.54 3i5i n THR 548 Cb 0.83 -1.72 0.23 0.00 -1.82 0.00 0.00 70.33 67.85 3i5i n THR 548 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3i5i h SER 549 N -0.01 0.94 -0.28 8.00 0.02 -0.88 -1.71 113.55 119.62 3i5i h SER 549 Ca -0.44 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.40 3i5i h SER 549 Cb 1.97 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 64.33 3i5i h SER 549 CO 0.05 0.57 -0.31 0.15 -1.14 0.00 0.00 176.83 176.14 3i5i h PHE 550 N 1.05 0.86 0.35 3.45 3.57 -1.21 -2.87 116.94 122.13 3i5i h PHE 550 Ca 0.43 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3i5i h PHE 550 Cb 0.29 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3i5i h PHE 550 CO -0.00 1.02 -0.35 -0.22 -2.23 0.00 0.00 178.31 176.53 3i5i h LYS 551 N 0.46 -0.70 -0.57 1.11 3.64 -1.23 -1.66 116.57 117.62 3i5i h LYS 551 Ca 0.04 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3i5i h LYS 551 Cb 0.89 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 3i5i h LYS 551 CO 0.08 -0.47 0.27 -0.91 -2.27 0.00 0.00 179.45 176.15 3i5i h ASN 552 N -0.72 0.35 0.10 4.20 2.35 -1.46 0.34 115.58 120.74 3i5i h ASN 552 Ca -0.02 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3i5i h ASN 552 Cb 0.66 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 3i5i h ASN 552 CO -0.07 0.23 -0.02 0.50 -1.65 0.00 0.00 177.43 176.43 3i5i h LYS 553 N 0.50 0.00 0.04 0.81 3.64 -1.24 1.36 116.57 121.68 3i5i h LYS 553 Ca 0.26 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3i5i h LYS 553 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3i5i h LYS 553 CO -0.21 0.02 -0.02 -0.07 -2.27 0.00 0.00 179.45 176.90 3i5i h LEU 554 N 0.00 -0.04 0.13 5.20 3.38 0.48 -3.04 115.31 121.41 3i5i h LEU 554 Ca -0.00 -0.64 0.01 0.00 0.09 0.00 0.00 57.88 57.34 3i5i h LEU 554 Cb 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3i5i h LEU 554 CO 0.00 0.70 -0.20 1.88 0.09 0.00 0.00 178.44 180.92 3i5i h TYR 555 N -0.88 -0.52 0.00 1.13 -1.99 0.13 -1.37 116.97 113.48 3i5i h TYR 555 Ca -0.01 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3i5i h TYR 555 Cb 0.68 0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.63 3i5i h TYR 555 CO 0.17 -0.29 0.00 -0.25 -0.00 0.00 0.00 178.16 177.79 3i5i n ASP 556 N -5.32 0.00 -0.27 3.88 9.92 0.45 -0.91 116.55 124.30 3i5i n ASP 556 Ca -0.07 0.62 0.08 0.00 -0.53 0.00 0.00 54.79 54.89 3i5i n ASP 556 Cb 0.24 -0.18 0.22 0.00 -0.64 0.00 0.00 41.12 40.75 3i5i n ASP 556 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3i5i h ASN 557 N 0.00 0.01 0.00 -2.24 2.35 -1.40 -3.33 115.58 110.97 3i5i h ASN 557 Ca 0.00 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3i5i h ASN 557 Cb 0.00 0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3i5i h ASN 557 CO 0.00 -0.07 -0.10 1.41 -1.65 0.00 0.00 177.43 177.01 3i5i n HIS 558 N -5.18 0.00 0.15 1.19 8.25 -0.53 -4.83 115.22 114.28 3i5i n HIS 558 Ca 0.16 -0.70 -0.06 0.00 -0.26 0.00 0.00 57.72 56.86 3i5i n HIS 558 Cb 0.53 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 3i5i n HIS 558 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3i5i h LEU 559 N 0.00 -0.33 0.00 2.41 3.38 -1.14 -3.33 115.31 116.29 3i5i h LEU 559 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i5i h LEU 559 Cb 1.03 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3i5i h LEU 559 CO 0.00 -0.22 -1.31 0.61 0.09 0.00 0.00 178.44 177.61 3i5i n GLY 560 N -0.81 -1.26 0.00 0.83 0.00 -1.26 -4.43 105.19 98.26 3i5i n GLY 560 Ca -0.05 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.70 3i5i n GLY 560 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i5i n LYS 561 N -2.37 0.09 -3.68 1.61 5.02 -1.26 -4.72 118.16 112.85 3i5i n LYS 561 Ca -0.01 0.15 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 3i5i n LYS 561 Cb 0.53 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.89 3i5i n LYS 561 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3i5i s ASN 562 N -2.86 0.47 0.17 4.39 3.84 -1.25 -5.06 114.94 114.64 3i5i s ASN 562 Ca 0.12 0.41 -0.22 0.00 0.21 0.00 0.00 52.86 53.38 3i5i s ASN 562 Cb 0.13 0.38 0.09 0.00 -0.55 0.00 0.00 41.25 41.29 3i5i s ASN 562 CO 0.33 -0.23 1.60 1.55 -2.79 0.00 0.00 177.10 177.56 3i5i h PRO 563 N 8.12 -0.20 -0.45 0.43 0.13 -1.92 -2.50 132.00 135.60 3i5i h PRO 563 Ca -0.19 0.01 0.09 0.00 -0.87 0.00 0.00 66.00 65.04 3i5i h PRO 563 Cb 1.12 0.05 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 3i5i h PRO 563 CO 0.19 -0.14 -0.16 0.52 -0.23 0.00 0.00 178.00 178.19 3i5i h MET 564 N -0.21 -0.06 -6.34 0.86 2.86 -1.95 -3.41 114.93 106.69 3i5i h MET 564 Ca 0.20 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.29 3i5i h MET 564 Cb 0.53 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 3i5i h MET 564 CO -0.58 -0.04 0.77 0.12 1.06 0.00 0.00 176.91 178.24 3i5i s PHE 565 N -6.18 3.01 0.00 -0.22 5.36 -0.94 -2.93 117.98 116.08 3i5i s PHE 565 Ca -0.14 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 3i5i s PHE 565 Cb 0.16 -3.54 0.00 0.00 -0.34 0.00 0.00 43.02 39.29 3i5i s PHE 565 CO 0.71 -1.88 0.00 0.41 -1.46 0.00 0.00 175.22 173.00 3i5i n GLY 566 N 3.51 6.17 3.52 13.12 0.00 0.66 -4.78 105.19 127.39 3i5i n GLY 566 Ca 0.12 -1.75 -0.00 0.00 0.00 0.00 0.00 46.02 44.39 3i5i n GLY 566 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i5i s LYS 567 N 1.49 0.40 0.00 1.61 2.20 -1.26 -3.57 119.74 120.60 3i5i s LYS 567 Ca 0.00 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.50 3i5i s LYS 567 Cb 0.00 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 3i5i s LYS 567 CO 0.00 -0.12 0.00 -0.35 -0.36 0.00 0.00 175.35 174.52 3i5i n PRO 568 N 4.72 1.15 -3.23 4.03 -0.04 -1.26 -4.90 135.00 135.47 3i5i n PRO 568 Ca -0.13 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 3i5i n PRO 568 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 3i5i n PRO 568 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i5i s LYS 569 N 0.00 0.48 0.00 0.54 0.00 -1.26 -5.00 119.74 114.50 3i5i s LYS 569 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 55.97 56.61 3i5i s LYS 569 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 37.83 37.89 3i5i s LYS 569 CO 0.00 -0.78 0.00 -2.30 0.00 0.00 0.00 175.35 172.27 3i5i n PRO 570 N 5.40 0.00 0.00 1.78 -0.02 -1.26 -5.00 135.00 135.90 3i5i n PRO 570 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i5i n PRO 570 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 3i5i n PRO 570 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3i5i n PRO 571 N 0.01 0.00 -2.34 0.52 -0.02 -1.23 -5.02 135.00 126.92 3i5i n PRO 571 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.24 3i5i n PRO 571 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 3i5i n PRO 571 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3i5i n LYS 572 N 0.00 3.32 0.00 -0.52 3.00 -1.18 -4.91 118.16 117.88 3i5i n LYS 572 Ca 0.00 -4.29 0.00 0.00 -0.00 0.00 0.00 58.31 54.02 3i5i n LYS 572 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 32.84 3i5i n LYS 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i5i n ALA 573 N -0.54 0.00 -0.00 3.14 0.00 -1.26 -2.88 120.51 118.96 3i5i n ALA 573 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3i5i n ALA 573 Cb 0.78 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.23 3i5i n ALA 573 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5i n GLY 574 N 0.00 -0.02 3.48 0.00 0.00 -1.26 -4.76 105.19 102.62 3i5i n GLY 574 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3i5i n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5i n ALA 576 N 13.09 0.00 -2.84 0.00 0.00 -1.26 -3.09 120.51 126.41 3i5i n ALA 576 Ca 0.46 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.55 3i5i n ALA 576 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 3i5i n ALA 576 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i5i s GLU 577 N 0.00 3.91 -0.03 0.00 2.12 -1.26 -4.12 118.70 119.32 3i5i s GLU 577 Ca 0.00 -0.37 -0.01 0.00 0.36 0.00 0.00 54.97 54.95 3i5i s GLU 577 Cb 0.00 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 3i5i s GLU 577 CO 0.00 0.15 0.06 0.00 -0.54 0.00 0.00 175.26 174.94 3i5i s ALA 578 N 0.71 3.53 -0.91 6.30 0.00 -1.26 -4.54 121.76 125.59 3i5i s ALA 578 Ca 0.04 -0.85 0.12 0.00 0.00 0.00 0.00 51.96 51.27 3i5i s ALA 578 Cb -0.13 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 3i5i s ALA 578 CO 0.02 0.66 0.63 0.72 0.00 0.00 0.00 175.76 177.79 3i5i n HIS 579 N 1.45 0.00 0.00 0.00 -0.00 0.19 -4.61 115.22 112.25 3i5i n HIS 579 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 3i5i n HIS 579 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 3i5i n HIS 579 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 3i5i n PHE 580 N -0.63 0.00 -4.30 4.41 1.16 -1.18 -4.74 117.46 112.18 3i5i n PHE 580 Ca 0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.43 3i5i n PHE 580 Cb 0.23 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.97 3i5i n PHE 580 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3i5i s LEU 582 N -1.18 3.26 -0.49 0.00 1.43 -0.21 -0.25 118.68 121.24 3i5i s LEU 582 Ca 0.00 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 3i5i s LEU 582 Cb -0.08 -1.84 0.10 0.00 0.03 0.00 0.00 46.19 44.39 3i5i s LEU 582 CO 0.01 0.04 0.42 -2.28 0.23 0.00 0.00 176.35 174.77 3i5i s HIS 583 N -2.03 3.26 0.23 0.29 5.65 -1.15 -1.45 115.29 120.09 3i5i s HIS 583 Ca 0.29 -1.15 -0.05 0.00 0.25 0.00 0.00 55.06 54.41 3i5i s HIS 583 Cb -0.08 -3.38 -0.05 0.00 -1.18 0.00 0.00 32.58 27.88 3i5i s HIS 583 CO 0.19 -0.89 0.49 -1.01 -0.65 0.00 0.00 174.74 172.87 3i5i s HIS 584 N 1.59 3.47 0.35 3.88 3.76 0.21 -4.80 115.29 123.75 3i5i s HIS 584 Ca 0.04 0.60 0.12 0.00 -0.15 0.00 0.00 55.06 55.67 3i5i s HIS 584 Cb -0.26 -2.06 0.93 0.00 1.11 0.00 0.00 32.58 32.29 3i5i s HIS 584 CO 0.05 0.28 1.77 0.10 -0.85 0.00 0.00 174.74 176.08 3i5i h TYR 585 N 2.11 0.88 0.00 1.40 -0.00 -1.95 1.08 116.97 120.49 3i5i h TYR 585 Ca -0.47 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.29 3i5i h TYR 585 Cb 1.18 -0.26 0.00 0.00 -0.00 0.00 0.00 36.73 37.65 3i5i h TYR 585 CO 0.59 0.12 0.00 0.00 -0.00 0.00 0.00 178.16 178.87 3i5i n ALA 586 N -2.39 2.32 0.00 0.10 0.00 -1.26 -4.91 120.51 114.38 3i5i n ALA 586 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3i5i n ALA 586 Cb 0.73 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3i5i n ALA 586 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5i n GLY 587 N 0.39 0.51 3.68 0.00 0.00 0.37 -4.64 105.19 105.50 3i5i n GLY 587 Ca 0.15 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 3i5i n GLY 587 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i5i s SER 588 N -4.00 6.33 -0.12 1.61 0.15 -1.26 0.68 113.70 117.08 3i5i s SER 588 Ca 0.00 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.03 3i5i s SER 588 Cb 0.00 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 62.11 3i5i s SER 588 CO 0.00 0.01 -0.13 -0.69 1.20 0.00 0.00 173.24 173.63 3i5i s VAL 589 N 1.05 3.08 -0.21 4.45 1.01 -0.53 -4.97 120.40 124.28 3i5i s VAL 589 Ca 0.15 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 3i5i s VAL 589 Cb -0.14 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3i5i s VAL 589 CO 0.06 0.53 0.11 -0.44 0.00 0.00 0.00 175.10 175.36 3i5i s SER 590 N 0.27 5.86 0.09 3.32 0.01 -1.26 -1.04 113.70 120.95 3i5i s SER 590 Ca -0.09 0.09 0.08 0.00 1.31 0.00 0.00 55.95 57.33 3i5i s SER 590 Cb -0.16 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 3i5i s SER 590 CO 0.05 0.11 -0.16 -0.31 0.41 0.00 0.00 173.24 173.35 3i5i s TYR 591 N 0.77 2.61 -0.05 2.43 1.51 0.87 -4.27 117.35 121.21 3i5i s TYR 591 Ca 0.06 -0.23 -0.06 0.00 -1.01 0.00 0.00 57.07 55.83 3i5i s TYR 591 Cb -0.13 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 3i5i s TYR 591 CO 0.02 0.36 0.20 0.45 -1.11 0.00 0.00 175.55 175.47 3i5i s SER 592 N -1.94 6.44 0.00 2.29 0.15 -0.31 0.55 113.70 120.88 3i5i s SER 592 Ca 0.18 0.50 0.22 0.00 0.70 0.00 0.00 55.95 57.55 3i5i s SER 592 Cb -0.11 -2.07 -0.23 0.00 -1.71 0.00 0.00 66.02 61.90 3i5i s SER 592 CO 0.10 0.33 0.71 -0.38 1.20 0.00 0.00 173.24 175.19 3i5i n ILE 593 N 1.48 0.06 -1.66 6.45 2.08 -1.26 -4.38 119.36 122.12 3i5i n ILE 593 Ca -0.15 -0.32 -0.61 0.00 0.56 0.00 0.00 62.75 62.23 3i5i n ILE 593 Cb 0.54 0.30 -0.08 0.00 -0.75 0.00 0.00 39.64 39.64 3i5i n ILE 593 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i5i n ALA 594 N -1.97 -1.50 -0.45 -1.39 0.00 -1.26 -2.26 120.51 111.68 3i5i n ALA 594 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3i5i n ALA 594 Cb 0.48 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3i5i n ALA 594 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5i n GLY 595 N 3.29 1.88 0.27 0.00 0.00 -1.26 -4.92 105.19 104.45 3i5i n GLY 595 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.31 3i5i n GLY 595 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3i5i h TRP 596 N 0.00 0.57 -0.93 1.61 4.06 -1.82 0.30 115.95 119.74 3i5i h TRP 596 Ca 0.00 0.03 0.14 0.00 2.06 0.00 0.00 58.89 61.12 3i5i h TRP 596 Cb 0.00 -0.14 -0.09 0.00 -1.00 0.00 0.00 29.16 27.93 3i5i h TRP 596 CO 0.00 0.14 0.54 -0.07 -3.56 0.00 0.00 178.44 175.49 3i5i h LEU 597 N 0.51 0.73 -0.09 -4.49 3.38 -1.92 0.44 115.31 113.88 3i5i h LEU 597 Ca 0.38 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.27 3i5i h LEU 597 Cb 0.50 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.20 3i5i h LEU 597 CO -0.34 0.34 -0.54 0.44 0.09 0.00 0.00 178.44 178.43 3i5i h ASP 598 N 0.79 0.62 0.49 -0.43 3.32 -1.38 -3.24 116.42 116.59 3i5i h ASP 598 Ca 0.49 -0.66 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 3i5i h ASP 598 Cb 0.62 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3i5i h ASP 598 CO -0.32 1.19 -0.27 0.11 -1.72 0.00 0.00 179.24 178.23 3i5i h LYS 599 N 0.10 0.00 0.00 3.56 1.57 0.68 -3.29 116.57 119.19 3i5i h LYS 599 Ca -0.04 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 3i5i h LYS 599 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 3i5i h LYS 599 CO 0.11 0.27 -1.01 -0.97 -0.57 0.00 0.00 179.45 177.28 3i5i h ASN 600 N 0.00 0.00 -2.82 0.86 -0.00 -0.19 -3.45 115.58 109.98 3i5i h ASN 600 Ca -0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 56.30 55.76 3i5i h ASN 600 Cb 0.58 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.91 3i5i h ASN 600 CO 0.03 0.96 0.89 -0.54 -0.00 0.00 0.00 177.43 178.78 3i5i s LYS 601 N -2.72 4.25 -0.42 6.67 1.02 -1.24 -0.74 119.74 126.55 3i5i s LYS 601 Ca 0.01 2.15 0.08 0.00 0.02 0.00 0.00 55.97 58.24 3i5i s LYS 601 Cb 0.10 -3.52 0.30 0.00 -0.52 0.00 0.00 37.83 34.19 3i5i s LYS 601 CO 0.81 -0.63 0.85 -3.47 -0.92 0.00 0.00 175.35 171.99 3i5i n ASP 602 N 5.23 -0.96 -4.76 2.83 -0.08 -0.86 -4.86 116.55 113.09 3i5i n ASP 602 Ca 0.14 -3.23 -0.40 0.00 -1.51 0.00 0.00 54.79 49.78 3i5i n ASP 602 Cb 0.42 0.63 -0.03 0.00 2.34 0.00 0.00 41.12 44.48 3i5i n ASP 602 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3i5i s PRO 603 N -0.80 4.48 0.16 -0.67 0.04 -1.17 -3.83 135.00 133.21 3i5i s PRO 603 Ca 0.32 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 63.17 3i5i s PRO 603 Cb 0.28 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.63 3i5i s PRO 603 CO -0.10 -0.00 0.68 0.42 0.04 0.00 0.00 177.00 178.04 3i5i s ILE 604 N -1.16 4.58 -0.61 0.56 1.01 -1.26 -4.81 121.20 119.51 3i5i s ILE 604 Ca 0.47 1.36 0.04 0.00 0.00 0.00 0.00 60.65 62.52 3i5i s ILE 604 Cb -0.36 -3.94 0.16 0.00 0.01 0.00 0.00 42.46 38.33 3i5i s ILE 604 CO 0.47 0.40 0.42 0.20 0.00 0.00 0.00 174.94 176.43 3i5i s ASN 605 N -1.36 3.99 0.02 3.58 0.01 -1.26 -4.56 114.94 115.36 3i5i s ASN 605 Ca 0.37 -3.53 -0.04 0.00 -0.71 0.00 0.00 52.86 48.95 3i5i s ASN 605 Cb -0.19 -1.34 -0.01 0.00 0.41 0.00 0.00 41.25 40.12 3i5i s ASN 605 CO 0.22 -0.13 0.20 -0.62 -1.51 0.00 0.00 177.10 175.26 3i5i n GLU 606 N 2.36 -0.05 -0.31 -0.60 1.02 -1.26 0.17 120.64 121.97 3i5i n GLU 606 Ca 0.20 0.19 0.14 0.00 -0.02 0.00 0.00 57.16 57.67 3i5i n GLU 606 Cb 0.37 -0.28 0.39 0.00 -0.02 0.00 0.00 31.44 31.90 3i5i n GLU 606 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3i5i h ASN 607 N 0.00 0.65 0.42 1.62 2.35 -1.94 1.12 115.58 119.80 3i5i h ASN 607 Ca 0.02 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3i5i h ASN 607 Cb 0.05 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3i5i h ASN 607 CO -0.11 0.27 -0.11 0.58 -1.65 0.00 0.00 177.43 176.41 3i5i h VAL 608 N 0.66 0.51 0.00 2.81 2.07 0.14 -2.40 116.25 120.04 3i5i h VAL 608 Ca 0.52 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i5i h VAL 608 Cb 0.93 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3i5i h VAL 608 CO -0.27 0.11 -0.00 0.58 0.02 0.00 0.00 177.57 178.01 3i5i h VAL 609 N 0.00 0.68 -0.92 2.57 2.07 0.14 -0.07 116.25 120.71 3i5i h VAL 609 Ca -0.00 -1.50 0.19 0.00 0.82 0.00 0.00 66.70 66.20 3i5i h VAL 609 Cb 0.36 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 3i5i h VAL 609 CO 0.01 0.23 0.60 -0.33 0.02 0.00 0.00 177.57 178.10 3i5i h GLU 610 N -1.00 0.53 -0.06 1.57 4.39 -1.43 0.49 114.58 119.07 3i5i h GLU 610 Ca -0.00 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 3i5i h GLU 610 Cb 0.38 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3i5i h GLU 610 CO 0.00 0.35 -0.39 1.25 -1.16 0.00 0.00 179.01 179.06 3i5i h LEU 611 N 0.54 0.45 0.00 1.33 5.85 -1.53 -1.98 115.31 119.98 3i5i h LEU 611 Ca 0.49 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3i5i h LEU 611 Cb 1.02 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3i5i h LEU 611 CO -0.23 1.05 0.00 0.18 -0.34 0.00 0.00 178.44 179.11 3i5i n LEU 612 N -4.36 0.00 -2.28 2.25 4.77 0.58 -1.19 117.00 116.77 3i5i n LEU 612 Ca -0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.59 3i5i n LEU 612 Cb 0.55 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.70 3i5i n LEU 612 CO 0.43 0.00 1.41 0.00 -1.33 0.00 0.00 177.39 177.91 3i5i n GLN 613 N -0.91 2.46 -3.83 3.23 6.02 0.14 -4.65 117.38 119.84 3i5i n GLN 613 Ca 0.05 -2.83 -0.12 0.00 -0.01 0.00 0.00 57.00 54.09 3i5i n GLN 613 Cb 0.02 -2.11 -0.10 0.00 1.02 0.00 0.00 30.24 29.07 3i5i n GLN 613 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3i5i s ASN 614 N -1.14 -0.07 0.76 1.08 0.01 -0.33 -5.01 114.94 110.23 3i5i s ASN 614 Ca 0.55 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.67 3i5i s ASN 614 Cb 0.43 0.27 0.00 0.00 0.41 0.00 0.00 41.25 42.36 3i5i s ASN 614 CO -0.06 -0.34 0.00 -0.24 -1.51 0.00 0.00 177.10 174.95 3i5i n SER 615 N 1.66 -2.16 0.00 -1.22 2.88 -1.25 -4.66 113.62 108.87 3i5i n SER 615 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 3i5i n SER 615 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 3i5i n SER 615 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i5i n LYS 616 N 0.00 0.00 -0.34 -1.46 4.76 -1.26 -4.34 118.16 115.52 3i5i n LYS 616 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 3i5i n LYS 616 Cb 0.00 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.22 3i5i n LYS 616 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i5i n GLU 617 N 0.09 -0.22 -0.02 1.97 1.02 -1.26 -1.86 120.64 120.36 3i5i n GLU 617 Ca 0.00 1.37 -0.11 0.00 -0.02 0.00 0.00 57.16 58.41 3i5i n GLU 617 Cb 0.00 -2.03 -0.04 0.00 -0.02 0.00 0.00 31.44 29.34 3i5i n GLU 617 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3i5i h PRO 618 N 0.00 0.20 0.00 3.49 0.13 -1.98 0.75 132.00 134.59 3i5i h PRO 618 Ca 0.30 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 3i5i h PRO 618 Cb 0.53 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.61 3i5i h PRO 618 CO -0.88 0.15 0.00 -0.89 -0.23 0.00 0.00 178.00 176.15 3i5i n ILE 619 N -4.97 0.00 -0.09 -3.56 5.41 -0.77 0.15 119.36 115.52 3i5i n ILE 619 Ca -0.04 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.58 3i5i n ILE 619 Cb 0.04 -0.57 -0.09 0.00 -0.71 0.00 0.00 39.64 38.31 3i5i n ILE 619 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3i5i n VAL 620 N -0.58 1.09 0.06 1.39 0.31 0.19 -4.00 118.33 116.79 3i5i n VAL 620 Ca 0.00 -0.44 -0.09 0.00 -0.01 0.00 0.00 64.34 63.79 3i5i n VAL 620 Cb 0.00 -1.11 -0.13 0.00 -0.91 0.00 0.00 33.84 31.70 3i5i n VAL 620 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i5i h LYS 621 N 0.00 0.06 0.18 5.55 3.64 0.21 -3.26 116.57 122.94 3i5i h LYS 621 Ca -0.42 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 3i5i h LYS 621 Cb 1.69 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 3i5i h LYS 621 CO -0.06 0.98 -0.08 0.52 -2.27 0.00 0.00 179.45 178.54 3i5i h MET 622 N 0.02 -0.23 -0.85 1.90 2.86 0.16 -3.16 114.93 115.63 3i5i h MET 622 Ca -0.08 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3i5i h MET 622 Cb 1.85 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.56 3i5i h MET 622 CO 0.14 -0.15 0.02 1.28 1.06 0.00 0.00 176.91 179.26 3i5i n LEU 623 N -2.93 3.02 -0.08 1.22 4.32 -1.26 -3.64 117.00 117.66 3i5i n LEU 623 Ca -0.03 -1.53 -0.09 0.00 -0.02 0.00 0.00 56.01 54.34 3i5i n LEU 623 Cb 0.09 -0.58 -0.10 0.00 -1.62 0.00 0.00 43.42 41.22 3i5i n LEU 623 CO 0.07 0.43 -1.00 0.49 -1.22 0.00 0.00 177.39 176.15 3i5i n PHE 624 N 0.22 0.00 -0.06 -1.77 0.99 -1.23 -4.73 117.46 110.88 3i5i n PHE 624 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.56 3i5i n PHE 624 Cb 0.66 -0.68 -0.01 0.00 -1.00 0.00 0.00 39.48 38.44 3i5i n PHE 624 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3i5i n THR 625 N -2.72 -0.09 0.00 4.37 -1.04 -1.19 -5.07 114.28 108.54 3i5i n THR 625 Ca -0.26 0.44 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 3i5i n THR 625 Cb 0.90 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 3i5i n THR 625 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5i n ALA 643 N -3.26 0.00 -2.57 2.41 0.00 -1.26 -5.17 120.51 110.67 3i5i n ALA 643 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3i5i n ALA 643 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3i5i n ALA 643 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i5i n PHE 644 N 0.00 -3.06 -1.28 0.00 3.01 -1.26 -4.95 117.46 109.92 3i5i n PHE 644 Ca 0.00 1.80 0.00 0.00 1.01 0.00 0.00 57.45 60.26 3i5i n PHE 644 Cb 0.00 -2.91 0.00 0.00 -0.01 0.00 0.00 39.48 36.56 3i5i n PHE 644 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3i5i n GLN 645 N 1.97 3.22 -4.06 -1.08 1.13 -1.25 -4.72 117.38 112.58 3i5i n GLN 645 Ca -0.18 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.79 3i5i n GLN 645 Cb 0.27 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.52 3i5i n GLN 645 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3i5i s THR 646 N 2.06 0.29 0.12 5.09 -4.23 -1.26 -2.03 115.64 115.68 3i5i s THR 646 Ca 0.00 -1.47 -0.30 0.00 -1.18 0.00 0.00 61.69 58.74 3i5i s THR 646 Cb 0.00 -1.05 -0.09 0.00 1.34 0.00 0.00 72.50 72.70 3i5i s THR 646 CO 0.00 -0.76 1.60 0.40 -0.54 0.00 0.00 174.62 175.32 3i5i h ILE 647 N 3.74 0.20 -0.54 2.99 2.04 -1.24 -2.31 117.51 122.40 3i5i h ILE 647 Ca -0.34 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.63 3i5i h ILE 647 Cb 1.17 0.20 -0.10 0.00 -0.74 0.00 0.00 36.82 37.35 3i5i h ILE 647 CO 0.55 0.00 -0.17 0.77 0.00 0.00 0.00 178.15 179.30 3i5i h SER 648 N -0.60 -0.62 -0.46 1.72 4.64 -1.95 0.25 113.55 116.54 3i5i h SER 648 Ca 0.03 0.17 0.07 0.00 -0.47 0.00 0.00 61.79 61.60 3i5i h SER 648 Cb 0.64 0.38 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 3i5i h SER 648 CO -0.25 -0.21 0.31 0.77 -0.87 0.00 0.00 176.83 176.58 3i5i h SER 649 N -0.04 0.28 0.02 4.97 4.64 -1.87 0.15 113.55 121.70 3i5i h SER 649 Ca 0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3i5i h SER 649 Cb 0.44 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3i5i h SER 649 CO -0.57 0.18 -0.01 0.58 -0.87 0.00 0.00 176.83 176.14 3i5i h VAL 650 N 0.32 1.49 -0.54 0.95 2.07 -0.14 -2.54 116.25 117.87 3i5i h VAL 650 Ca 0.20 -1.66 0.08 0.00 0.82 0.00 0.00 66.70 66.14 3i5i h VAL 650 Cb 0.39 2.59 -0.10 0.00 -1.52 0.00 0.00 31.29 32.65 3i5i h VAL 650 CO -0.05 0.42 -0.43 -0.74 0.02 0.00 0.00 177.57 176.79 3i5i h HIS 651 N -0.76 -1.27 -0.47 1.57 6.17 0.22 0.16 115.15 120.77 3i5i h HIS 651 Ca -0.00 0.08 0.08 0.00 0.71 0.00 0.00 60.37 61.24 3i5i h HIS 651 Cb 0.71 0.63 -0.10 0.00 2.52 0.00 0.00 27.41 31.17 3i5i h HIS 651 CO 0.17 -0.43 -0.37 0.87 0.71 0.00 0.00 177.93 178.89 3i5i h LYS 652 N -0.25 -0.24 -0.78 5.26 1.57 -0.76 0.23 116.57 121.61 3i5i h LYS 652 Ca 0.17 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3i5i h LYS 652 Cb 0.57 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 3i5i h LYS 652 CO -0.66 -0.16 0.48 1.49 -0.57 0.00 0.00 179.45 180.02 3i5i h GLU 653 N -0.25 0.86 0.10 3.15 4.81 -0.47 0.62 114.58 123.41 3i5i h GLU 653 Ca 0.18 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3i5i h GLU 653 Cb 0.56 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3i5i h GLU 653 CO -0.60 0.57 -0.05 1.03 -0.73 0.00 0.00 179.01 179.23 3i5i h SER 654 N 0.89 -0.11 0.12 1.04 0.87 0.38 -2.32 113.55 114.41 3i5i h SER 654 Ca 0.33 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3i5i h SER 654 Cb 0.12 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 3i5i h SER 654 CO -0.15 0.20 -0.30 0.25 -0.53 0.00 0.00 176.83 176.30 3i5i h LEU 655 N -0.43 -0.86 -1.78 2.23 5.85 -0.05 0.36 115.31 120.64 3i5i h LEU 655 Ca -0.01 0.10 0.38 0.00 0.84 0.00 0.00 57.88 59.18 3i5i h LEU 655 Cb 0.36 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3i5i h LEU 655 CO 0.02 -0.39 1.07 0.78 -0.34 0.00 0.00 178.44 179.58 3i5i h ASN 656 N -0.52 0.00 0.02 1.25 2.35 0.36 0.45 115.58 119.50 3i5i h ASN 656 Ca 0.03 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 3i5i h ASN 656 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3i5i h ASN 656 CO -0.18 0.00 -0.50 0.50 -1.65 0.00 0.00 177.43 175.61 3i5i h LYS 657 N 0.00 0.04 -0.81 0.81 3.64 0.25 -2.92 116.57 117.59 3i5i h LYS 657 Ca 0.62 -0.08 0.19 0.00 -1.27 0.00 0.00 60.65 60.12 3i5i h LYS 657 Cb 2.75 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 34.47 3i5i h LYS 657 CO -0.01 1.04 0.22 1.25 -2.27 0.00 0.00 179.45 179.68 3i5i h LEU 658 N -0.89 0.05 -0.28 5.20 5.85 0.09 -0.54 115.31 124.79 3i5i h LEU 658 Ca -0.12 0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3i5i h LEU 658 Cb 1.19 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 3i5i h LEU 658 CO -0.04 -0.07 -0.14 0.24 -0.34 0.00 0.00 178.44 178.09 3i5i h MET 659 N 0.27 0.58 -1.00 1.25 2.86 -1.57 0.65 114.93 117.96 3i5i h MET 659 Ca 0.48 -0.26 0.17 0.00 -2.06 0.00 0.00 59.70 58.03 3i5i h MET 659 Cb 0.89 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.44 3i5i h MET 659 CO -0.57 0.83 0.62 -0.22 1.06 0.00 0.00 176.91 178.63 3i5i h LYS 660 N 0.32 0.81 -0.01 1.72 1.63 -1.03 0.25 116.57 120.27 3i5i h LYS 660 Ca 0.06 -0.05 -0.23 0.00 -0.85 0.00 0.00 60.65 59.58 3i5i h LYS 660 Cb 0.66 -0.18 0.02 0.00 -0.60 0.00 0.00 32.23 32.12 3i5i h LYS 660 CO 0.04 0.54 -0.89 -0.91 -3.45 0.00 0.00 179.45 174.78 3i5i h ASN 661 N 0.83 0.80 -0.49 4.20 2.35 -0.70 -3.16 115.58 119.42 3i5i h ASN 661 Ca 0.55 -0.74 -0.08 0.00 -0.55 0.00 0.00 56.30 55.48 3i5i h ASN 661 Cb 0.77 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3i5i h ASN 661 CO -0.33 1.43 0.02 -0.07 -1.65 0.00 0.00 177.43 176.83 3i5i h LEU 662 N 0.25 0.87 0.00 1.61 3.38 0.15 -2.49 115.31 119.07 3i5i h LEU 662 Ca -0.11 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3i5i h LEU 662 Cb 1.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3i5i h LEU 662 CO 0.18 0.92 0.00 -1.22 0.09 0.00 0.00 178.44 178.40 3i5i n TYR 663 N -4.21 0.00 0.45 1.13 4.02 0.78 -1.58 117.16 117.75 3i5i n TYR 663 Ca 0.03 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.03 3i5i n TYR 663 Cb 0.31 -0.40 0.26 0.00 -0.02 0.00 0.00 39.34 39.49 3i5i n TYR 663 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3i5i n SER 664 N -1.40 3.00 -4.36 7.72 7.64 -0.94 -4.92 113.62 120.36 3i5i n SER 664 Ca 0.06 -1.94 -0.24 0.00 1.01 0.00 0.00 58.87 57.76 3i5i n SER 664 Cb 0.16 -0.27 -0.12 0.00 -1.01 0.00 0.00 64.21 62.98 3i5i n SER 664 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i5i s THR 665 N -1.47 2.01 -0.49 0.44 -4.23 -0.61 -4.59 115.64 106.70 3i5i s THR 665 Ca 0.38 -1.89 -0.23 0.00 -1.18 0.00 0.00 61.69 58.76 3i5i s THR 665 Cb 0.21 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 72.18 3i5i s THR 665 CO 0.29 -0.19 0.83 -2.28 -0.54 0.00 0.00 174.62 172.73 3i5i s HIS 666 N -1.73 2.93 0.72 3.99 2.46 -0.62 -4.85 115.29 118.18 3i5i s HIS 666 Ca 0.16 0.03 -0.11 0.00 0.47 0.00 0.00 55.06 55.61 3i5i s HIS 666 Cb -0.07 -3.80 0.02 0.00 -0.13 0.00 0.00 32.58 28.60 3i5i s HIS 666 CO 0.07 -1.12 1.10 -1.25 -2.47 0.00 0.00 174.74 171.07 3i5i s PRO 667 N 3.46 2.71 -0.07 2.88 0.04 -1.26 -1.61 135.00 141.16 3i5i s PRO 667 Ca 0.29 0.37 -0.15 0.00 0.04 0.00 0.00 61.00 61.55 3i5i s PRO 667 Cb -0.13 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.42 3i5i s PRO 667 CO 0.20 -1.11 0.36 -1.01 0.04 0.00 0.00 177.00 175.49 3i5i s HIS 668 N -3.37 -0.30 -0.18 0.56 3.76 -0.75 -4.88 115.29 110.13 3i5i s HIS 668 Ca 0.59 0.62 0.01 0.00 -0.15 0.00 0.00 55.06 56.12 3i5i s HIS 668 Cb -0.11 0.13 0.03 0.00 1.11 0.00 0.00 32.58 33.74 3i5i s HIS 668 CO 0.51 -0.33 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.87 3i5i s PHE 669 N -0.71 2.48 -0.13 1.40 0.40 -1.26 -1.29 117.98 118.87 3i5i s PHE 669 Ca -0.08 -1.52 -0.03 0.00 -0.60 0.00 0.00 56.93 54.70 3i5i s PHE 669 Cb -0.04 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 3i5i s PHE 669 CO 0.03 -0.74 -0.01 0.08 0.70 0.00 0.00 175.22 175.28 3i5i s VAL 670 N 1.38 4.17 -0.35 -0.44 1.01 -0.50 -1.93 120.40 123.74 3i5i s VAL 670 Ca 0.02 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3i5i s VAL 670 Cb -0.14 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.54 3i5i s VAL 670 CO -0.10 0.54 0.07 -0.13 0.00 0.00 0.00 175.10 175.48 3i5i s ARG 671 N -0.18 1.54 0.47 2.72 1.81 -0.70 -2.04 118.95 122.57 3i5i s ARG 671 Ca 0.05 -1.88 -0.16 0.00 -1.72 0.00 0.00 55.73 52.01 3i5i s ARG 671 Cb -0.13 -3.25 -0.08 0.00 -0.45 0.00 0.00 34.95 31.04 3i5i s ARG 671 CO 0.02 -0.96 0.93 0.00 -0.68 0.00 0.00 175.30 174.61 3i5i s ILE 673 N -2.46 -0.07 -0.31 0.00 1.01 -0.78 -4.10 121.20 114.48 3i5i s ILE 673 Ca 0.58 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 3i5i s ILE 673 Cb -0.10 -0.49 -0.00 0.00 0.01 0.00 0.00 42.46 41.88 3i5i s ILE 673 CO 0.27 0.05 1.40 -0.63 0.00 0.00 0.00 174.94 176.04 3i5i s ILE 674 N 1.42 3.98 0.13 2.92 1.01 -1.25 -2.40 121.20 127.00 3i5i s ILE 674 Ca -0.09 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.67 3i5i s ILE 674 Cb -0.10 -4.06 -0.21 0.00 0.01 0.00 0.00 42.46 38.10 3i5i s ILE 674 CO -0.11 -0.50 1.28 1.55 0.00 0.00 0.00 174.94 177.16 3i5i h PRO 675 N 10.02 0.12 -3.05 2.79 0.13 -1.85 -3.40 132.00 136.76 3i5i h PRO 675 Ca -0.28 -0.18 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 3i5i h PRO 675 Cb 1.11 0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 3i5i h PRO 675 CO 1.04 1.03 -0.01 0.54 -0.23 0.00 0.00 178.00 180.37 3i5i s ASN 676 N -6.89 -0.35 0.38 1.44 2.20 -1.26 -1.53 114.94 108.93 3i5i s ASN 676 Ca -0.01 -0.04 0.15 0.00 -0.94 0.00 0.00 52.86 52.02 3i5i s ASN 676 Cb 0.09 0.48 0.78 0.00 -2.00 0.00 0.00 41.25 40.60 3i5i s ASN 676 CO 0.84 -0.78 1.83 -0.33 -2.94 0.00 0.00 177.10 175.72 3i5i h GLU 677 N 2.62 0.00 -4.75 3.55 4.39 -1.97 -3.41 114.58 115.01 3i5i h GLU 677 Ca -0.32 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.69 3i5i h GLU 677 Cb 1.24 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 29.58 3i5i h GLU 677 CO 0.43 0.36 -0.67 -0.51 -1.16 0.00 0.00 179.01 177.46 3i5i s LEU 678 N -7.93 3.98 -0.91 1.33 1.43 -1.26 -5.01 118.68 110.30 3i5i s LEU 678 Ca -0.02 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 51.79 3i5i s LEU 678 Cb 0.14 -1.77 -0.28 0.00 0.03 0.00 0.00 46.19 44.30 3i5i s LEU 678 CO 0.71 -0.27 2.10 0.29 0.23 0.00 0.00 176.35 179.41 3i5i n LYS 679 N 4.71 0.00 -3.18 1.70 5.02 -1.26 -4.70 118.16 120.44 3i5i n LYS 679 Ca -0.13 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.94 3i5i n LYS 679 Cb 0.44 -1.04 -0.06 0.00 -0.02 0.00 0.00 35.03 34.35 3i5i n LYS 679 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i5i n THR 680 N 5.53 -0.77 -0.54 -0.18 -1.04 -1.26 -5.12 114.28 110.89 3i5i n THR 680 Ca 0.62 -3.16 -0.18 0.00 -2.04 0.00 0.00 64.05 59.29 3i5i n THR 680 Cb 0.10 -1.14 -0.00 0.00 -1.82 0.00 0.00 70.33 67.46 3i5i n THR 680 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3i5i n PRO 681 N 2.21 0.00 -1.14 -2.82 -0.04 -1.26 -1.98 135.00 129.97 3i5i n PRO 681 Ca 0.23 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.64 3i5i n PRO 681 Cb 0.52 -0.41 -0.02 0.00 -0.04 0.00 0.00 33.50 33.56 3i5i n PRO 681 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i5i n GLY 682 N 0.90 0.63 3.57 0.55 0.00 -1.26 -4.98 105.19 104.60 3i5i n GLY 682 Ca 0.05 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3i5i n GLY 682 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i5i s LEU 683 N -1.11 3.11 -0.05 0.99 2.96 -0.84 -4.76 118.68 118.98 3i5i s LEU 683 Ca 0.00 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 3i5i s LEU 683 Cb 0.00 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 3i5i s LEU 683 CO 0.00 0.32 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.52 3i5i s ILE 684 N -0.89 1.66 -0.32 6.68 -1.09 -1.26 -4.31 121.20 121.66 3i5i s ILE 684 Ca 0.15 -0.83 -0.05 0.00 -2.23 0.00 0.00 60.65 57.68 3i5i s ILE 684 Cb -0.11 -1.42 0.03 0.00 -1.58 0.00 0.00 42.46 39.38 3i5i s ILE 684 CO 0.04 0.47 0.07 -0.62 -1.23 0.00 0.00 174.94 173.68 3i5i s ASP 685 N 0.05 5.15 0.14 3.58 -1.08 -0.58 -5.01 116.67 118.91 3i5i s ASP 685 Ca -0.06 -1.06 -0.22 0.00 -0.52 0.00 0.00 52.55 50.69 3i5i s ASP 685 Cb -0.13 -1.83 -0.01 0.00 -1.46 0.00 0.00 42.92 39.49 3i5i s ASP 685 CO 0.03 -0.28 1.66 0.00 0.52 0.00 0.00 175.17 177.11 3i5i h ALA 686 N 8.18 -0.06 0.16 3.66 0.00 -1.89 -2.37 119.26 126.95 3i5i h ALA 686 Ca -0.25 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3i5i h ALA 686 Cb 1.09 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 3i5i h ALA 686 CO 0.59 -0.60 -0.31 0.00 0.00 0.00 0.00 179.25 178.92 3i5i h ALA 687 N 0.89 -0.57 -0.62 0.00 0.00 -1.95 0.20 119.26 117.23 3i5i h ALA 687 Ca 0.11 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3i5i h ALA 687 Cb 0.34 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3i5i h ALA 687 CO -0.27 -0.87 0.31 1.25 0.00 0.00 0.00 179.25 179.67 3i5i h LEU 688 N -0.56 0.41 0.38 0.00 5.85 -1.92 0.31 115.31 119.78 3i5i h LEU 688 Ca 0.02 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3i5i h LEU 688 Cb 0.57 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3i5i h LEU 688 CO -0.16 0.26 -0.18 0.58 -0.34 0.00 0.00 178.44 178.60 3i5i h VAL 689 N 0.56 0.63 0.08 1.05 2.07 -1.12 -1.38 116.25 118.14 3i5i h VAL 689 Ca 0.29 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3i5i h VAL 689 Cb 0.25 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3i5i h VAL 689 CO -0.22 0.06 -0.34 -0.07 0.02 0.00 0.00 177.57 177.02 3i5i h LEU 690 N -0.70 -1.01 -0.89 2.57 3.38 -0.37 0.95 115.31 119.24 3i5i h LEU 690 Ca -0.05 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.21 3i5i h LEU 690 Cb 0.49 0.39 -0.16 0.00 0.09 0.00 0.00 40.66 41.47 3i5i h LEU 690 CO 0.09 -0.42 -0.26 -0.74 0.09 0.00 0.00 178.44 177.19 3i5i h HIS 691 N -0.55 -0.62 -0.42 1.13 2.76 -0.30 1.47 115.15 118.63 3i5i h HIS 691 Ca 0.04 0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3i5i h HIS 691 Cb 0.60 0.41 -0.02 0.00 1.55 0.00 0.00 27.41 29.95 3i5i h HIS 691 CO -0.32 -0.39 0.20 1.96 -1.30 0.00 0.00 177.93 178.08 3i5i h GLN 692 N -0.01 0.57 -0.26 5.26 4.20 -0.04 -2.75 115.11 122.08 3i5i h GLN 692 Ca 0.40 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 3i5i h GLN 692 Cb 0.64 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3i5i h GLN 692 CO -0.92 0.45 0.08 -0.07 -0.67 0.00 0.00 178.83 177.70 3i5i h LEU 693 N 0.58 0.38 -1.13 1.46 3.38 0.44 0.75 115.31 121.18 3i5i h LEU 693 Ca 0.15 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3i5i h LEU 693 Cb 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3i5i h LEU 693 CO -0.02 0.49 0.00 0.03 0.09 0.00 0.00 178.44 179.03 3i5i h ARG 694 N 0.25 0.61 0.17 1.13 3.08 -1.01 -2.79 114.38 115.82 3i5i h ARG 694 Ca 0.08 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3i5i h ARG 694 Cb 0.25 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3i5i h ARG 694 CO -0.00 0.63 -0.08 0.00 -1.07 0.00 0.00 179.97 179.45 3i5i n ASN 696 N -4.92 -0.12 0.00 0.00 3.02 0.26 -4.68 115.26 108.83 3i5i n ASN 696 Ca -0.06 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 3i5i n ASN 696 Cb 0.21 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3i5i n ASN 696 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i5i n GLY 697 N -1.21 0.78 0.24 7.41 0.00 -1.12 -4.97 105.19 106.31 3i5i n GLY 697 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 3i5i n GLY 697 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i5i h VAL 698 N 0.00 0.61 0.00 1.61 2.07 -1.80 -2.22 116.25 116.52 3i5i h VAL 698 Ca 0.00 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 3i5i h VAL 698 Cb 0.00 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3i5i h VAL 698 CO 0.00 0.01 -0.25 -0.07 0.02 0.00 0.00 177.57 177.28 3i5i h LEU 699 N -0.57 0.00 -0.80 2.57 3.38 -1.80 -2.34 115.31 115.75 3i5i h LEU 699 Ca -0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3i5i h LEU 699 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3i5i h LEU 699 CO 0.09 0.25 -0.08 -0.08 0.09 0.00 0.00 178.44 178.72 3i5i h GLU 700 N 0.00 0.82 -0.67 1.13 4.57 -1.75 -1.55 114.58 117.12 3i5i h GLU 700 Ca -0.00 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 57.88 3i5i h GLU 700 Cb 0.52 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 3i5i h GLU 700 CO 0.03 0.87 0.27 0.78 -1.18 0.00 0.00 179.01 179.79 3i5i h GLY 701 N 0.98 1.08 1.55 1.92 0.00 -0.86 -1.17 103.07 106.57 3i5i h GLY 701 Ca 0.13 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3i5i h GLY 701 CO 0.03 0.55 0.23 -2.22 0.00 0.00 0.00 176.54 175.13 3i5i h ILE 702 N 0.95 1.14 -0.57 2.60 2.04 -1.23 0.25 117.51 122.69 3i5i h ILE 702 Ca 0.22 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3i5i h ILE 702 Cb 0.20 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3i5i h ILE 702 CO -0.02 0.15 0.21 -0.09 0.00 0.00 0.00 178.15 178.41 3i5i h ARG 703 N 0.60 0.86 -0.16 2.37 2.43 -0.24 0.34 114.38 120.58 3i5i h ARG 703 Ca 0.15 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3i5i h ARG 703 Cb 0.03 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3i5i h ARG 703 CO -0.02 0.76 -0.16 0.82 -1.51 0.00 0.00 179.97 179.85 3i5i h ILE 704 N 0.79 1.34 -0.77 1.20 2.04 -0.37 -2.43 117.51 119.32 3i5i h ILE 704 Ca 0.19 -1.32 0.11 0.00 1.00 0.00 0.00 64.86 64.84 3i5i h ILE 704 Cb 0.23 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 3i5i h ILE 704 CO -0.01 0.39 0.51 0.00 0.00 0.00 0.00 178.15 179.03 3i5i h ARG 706 N 0.64 -0.66 -0.03 0.00 3.08 -0.42 -1.65 114.38 115.34 3i5i h ARG 706 Ca 0.36 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.46 3i5i h ARG 706 Cb 0.54 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 3i5i h ARG 706 CO -0.13 -0.44 0.04 0.87 -1.07 0.00 0.00 179.97 179.23 3i5i h LYS 707 N -0.68 0.00 0.00 0.04 1.57 -1.35 -3.43 116.57 112.71 3i5i h LYS 707 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3i5i h LYS 707 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3i5i h LYS 707 CO -0.30 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.99 3i5i n GLY 708 N -1.31 1.64 3.18 3.86 0.00 -0.62 -5.05 105.19 106.88 3i5i n GLY 708 Ca -0.02 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 3i5i n GLY 708 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5i s PHE 709 N 2.21 3.50 0.06 1.61 0.40 -1.26 -4.75 117.98 119.74 3i5i s PHE 709 Ca 0.00 -2.29 0.12 0.00 -0.60 0.00 0.00 56.93 54.16 3i5i s PHE 709 Cb 0.00 -3.41 0.13 0.00 0.51 0.00 0.00 43.02 40.24 3i5i s PHE 709 CO 0.00 -0.93 1.47 -1.00 0.70 0.00 0.00 175.22 175.46 3i5i h PRO 710 N 7.70 0.00 -5.58 0.24 0.13 -1.69 -3.44 132.00 129.36 3i5i h PRO 710 Ca -0.06 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.48 3i5i h PRO 710 Cb 1.01 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.05 3i5i h PRO 710 CO 0.77 0.66 -0.28 -0.80 -0.23 0.00 0.00 178.00 178.12 3i5i s ASN 711 N -6.59 6.51 -0.07 1.44 0.01 -1.21 -4.59 114.94 110.44 3i5i s ASN 711 Ca 0.02 0.60 -0.03 0.00 -0.71 0.00 0.00 52.86 52.74 3i5i s ASN 711 Cb 0.10 -2.21 0.04 0.00 0.41 0.00 0.00 41.25 39.59 3i5i s ASN 711 CO 0.76 0.09 0.13 -0.13 -1.51 0.00 0.00 177.10 176.45 3i5i s ARG 712 N 0.40 0.01 0.00 -0.60 0.52 -1.26 0.61 118.95 118.63 3i5i s ARG 712 Ca 0.19 0.49 0.07 0.00 -0.52 0.00 0.00 55.73 55.96 3i5i s ARG 712 Cb -0.14 -0.31 -0.03 0.00 0.52 0.00 0.00 34.95 35.00 3i5i s ARG 712 CO 0.06 -0.29 -0.23 0.42 0.02 0.00 0.00 175.30 175.28 3i5i s ILE 713 N 2.07 2.39 0.38 1.52 1.01 -0.80 -4.90 121.20 122.86 3i5i s ILE 713 Ca 0.01 -1.13 -0.25 0.00 0.00 0.00 0.00 60.65 59.28 3i5i s ILE 713 Cb -0.12 -1.91 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 3i5i s ILE 713 CO -0.05 0.48 1.09 -0.63 0.00 0.00 0.00 174.94 175.83 3i5i s ILE 714 N -0.74 3.51 0.41 2.92 1.01 -1.26 0.01 121.20 127.05 3i5i s ILE 714 Ca 0.12 1.25 0.16 0.00 0.00 0.00 0.00 60.65 62.18 3i5i s ILE 714 Cb -0.10 -3.70 0.36 0.00 0.01 0.00 0.00 42.46 39.04 3i5i s ILE 714 CO 0.01 0.10 1.87 1.88 0.00 0.00 0.00 174.94 178.80 3i5i h TYR 715 N 2.80 0.59 0.09 3.97 0.99 -1.88 -1.59 116.97 121.94 3i5i h TYR 715 Ca -0.48 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.26 3i5i h TYR 715 Cb 1.22 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 38.77 3i5i h TYR 715 CO 0.57 0.18 -0.04 0.66 -0.00 0.00 0.00 178.16 179.52 3i5i h SER 716 N 0.46 -0.10 -0.75 3.88 4.64 -1.89 0.66 113.55 120.44 3i5i h SER 716 Ca 0.45 -0.28 0.20 0.00 -0.47 0.00 0.00 61.79 61.69 3i5i h SER 716 Cb 1.03 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.11 3i5i h SER 716 CO -0.18 0.23 0.53 -0.33 -0.87 0.00 0.00 176.83 176.22 3i5i h GLU 717 N -0.45 0.08 0.11 4.77 5.08 -1.70 0.79 114.58 123.26 3i5i h GLU 717 Ca -0.01 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 3i5i h GLU 717 Cb 0.38 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.63 3i5i h GLU 717 CO 0.02 0.05 -0.86 0.35 -1.00 0.00 0.00 179.01 177.57 3i5i h PHE 718 N 0.08 0.65 -0.08 4.33 3.57 -0.94 -2.71 116.94 121.84 3i5i h PHE 718 Ca 0.36 -0.43 0.04 0.00 3.53 0.00 0.00 57.97 61.46 3i5i h PHE 718 Cb 1.32 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 3i5i h PHE 718 CO -0.00 1.31 -0.17 -0.22 -2.23 0.00 0.00 178.31 177.00 3i5i h LYS 719 N -0.19 -0.23 0.00 1.11 3.64 0.37 -0.99 116.57 120.27 3i5i h LYS 719 Ca -0.14 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3i5i h LYS 719 Cb 1.63 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.50 3i5i h LYS 719 CO 0.16 -0.15 -0.11 0.37 -2.27 0.00 0.00 179.45 177.45 3i5i h GLN 720 N -0.24 0.00 0.01 1.90 4.15 0.36 -3.22 115.11 118.08 3i5i h GLN 720 Ca 0.08 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.16 3i5i h GLN 720 Cb 0.35 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.98 3i5i h GLN 720 CO -0.22 0.11 -2.12 -2.13 -1.93 0.00 0.00 178.83 172.55 3i5i n ARG 721 N -3.57 0.67 0.00 1.69 3.00 -0.67 -4.73 116.66 113.06 3i5i n ARG 721 Ca -0.02 0.15 0.02 0.00 -0.00 0.00 0.00 57.85 58.00 3i5i n ARG 721 Cb 0.24 -1.64 -0.01 0.00 0.00 0.00 0.00 32.46 31.06 3i5i n ARG 721 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i5i n TYR 722 N -2.98 0.00 -0.33 -0.14 4.02 -0.47 -4.65 117.16 112.61 3i5i n TYR 722 Ca -0.29 0.00 0.23 0.00 -0.01 0.00 0.00 57.90 57.83 3i5i n TYR 722 Cb 1.09 0.00 0.46 0.00 -0.02 0.00 0.00 39.34 40.87 3i5i n TYR 722 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3i5i h SER 723 N 0.27 0.49 -0.06 7.72 0.02 -1.72 2.78 113.55 123.05 3i5i h SER 723 Ca 0.00 0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3i5i h SER 723 Cb 0.10 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3i5i h SER 723 CO 0.00 -0.12 0.49 -0.29 -1.14 0.00 0.00 176.83 175.76 3i5i h ILE 724 N 0.33 0.03 0.00 3.27 2.10 -1.88 0.44 117.51 121.81 3i5i h ILE 724 Ca 0.72 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.66 3i5i h ILE 724 Cb 1.62 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 3i5i h ILE 724 CO -0.60 0.00 0.00 -0.07 -1.08 0.00 0.00 178.15 176.40 3i5i h LEU 725 N 0.00 0.00 -5.19 2.19 3.38 0.46 -3.36 115.31 112.79 3i5i h LEU 725 Ca 0.03 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.71 3i5i h LEU 725 Cb 1.00 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.55 3i5i h LEU 725 CO -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 178.44 177.93 3i5i n ALA 726 N -2.07 0.01 -0.70 1.53 0.00 0.14 -5.01 120.51 114.42 3i5i n ALA 726 Ca 0.03 -1.86 -0.31 0.00 0.00 0.00 0.00 53.44 51.31 3i5i n ALA 726 Cb 0.46 -1.10 0.17 0.00 0.00 0.00 0.00 19.45 18.98 3i5i n ALA 726 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i5i s PRO 727 N -0.33 0.91 0.10 0.00 0.04 -0.44 -4.93 135.00 130.36 3i5i s PRO 727 Ca 0.26 1.50 -0.25 0.00 0.04 0.00 0.00 61.00 62.54 3i5i s PRO 727 Cb 0.31 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 33.21 3i5i s PRO 727 CO -0.06 -2.69 0.67 0.54 0.04 0.00 0.00 177.00 175.51 3i5i s ASN 728 N -2.68 -0.54 0.00 6.66 2.20 -1.26 -5.06 114.94 114.26 3i5i s ASN 728 Ca 0.67 0.08 0.03 0.00 -0.94 0.00 0.00 52.86 52.70 3i5i s ASN 728 Cb -0.23 0.55 0.15 0.00 -2.00 0.00 0.00 41.25 39.72 3i5i s ASN 728 CO 0.58 -0.86 1.02 0.00 -2.94 0.00 0.00 177.10 174.91 3i5i n ALA 729 N -0.21 1.24 -2.26 3.54 0.00 -1.26 -4.71 120.51 116.84 3i5i n ALA 729 Ca -0.15 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 3i5i n ALA 729 Cb 0.63 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 3i5i n ALA 729 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i5i s VAL 730 N -2.81 3.94 -0.45 0.00 1.01 -1.26 -4.87 120.40 115.95 3i5i s VAL 730 Ca 0.02 1.09 -0.44 0.00 0.00 0.00 0.00 61.98 62.65 3i5i s VAL 730 Cb 0.02 -3.88 -0.18 0.00 0.00 0.00 0.00 36.38 32.34 3i5i s VAL 730 CO 0.05 -0.29 1.88 -0.81 0.00 0.00 0.00 175.10 175.94 3i5i n PRO 731 N 7.28 0.27 -0.17 2.72 -0.04 -1.26 -4.75 135.00 139.04 3i5i n PRO 731 Ca 0.16 0.09 0.15 0.00 -0.04 0.00 0.00 63.50 63.86 3i5i n PRO 731 Cb 0.45 -1.68 0.28 0.00 -0.04 0.00 0.00 33.50 32.51 3i5i n PRO 731 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i5i n SER 732 N 6.09 0.14 0.04 3.54 2.88 -1.26 -1.39 113.62 123.66 3i5i n SER 732 Ca 0.40 0.86 -0.13 0.00 -1.33 0.00 0.00 58.87 58.67 3i5i n SER 732 Cb 0.00 -0.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.04 3i5i n SER 732 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3i5i h GLY 733 N 0.00 0.55 1.71 0.46 0.00 -2.02 -3.15 103.07 100.61 3i5i h GLY 733 Ca 0.42 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3i5i h GLY 733 CO -0.41 0.75 0.00 0.69 0.00 0.00 0.00 176.54 177.57 3i5i n PHE 734 N -3.82 0.00 -2.65 5.60 0.99 -0.48 -4.85 117.46 112.24 3i5i n PHE 734 Ca -0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.03 3i5i n PHE 734 Cb 0.77 -0.35 -0.05 0.00 -1.00 0.00 0.00 39.48 38.84 3i5i n PHE 734 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i5i s ALA 735 N -2.71 3.09 -0.08 4.37 0.00 -1.19 -5.05 121.76 120.19 3i5i s ALA 735 Ca 0.21 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 3i5i s ALA 735 Cb 0.18 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 3i5i s ALA 735 CO 0.43 -0.06 0.50 0.34 0.00 0.00 0.00 175.76 176.98 3i5i s ASP 736 N -1.71 6.78 0.10 0.00 -1.08 -1.26 -5.01 116.67 114.49 3i5i s ASP 736 Ca 0.57 0.92 -0.32 0.00 -0.52 0.00 0.00 52.55 53.21 3i5i s ASP 736 Cb -0.19 -2.30 -0.12 0.00 -1.46 0.00 0.00 42.92 38.85 3i5i s ASP 736 CO 0.24 0.06 1.59 1.23 0.52 0.00 0.00 175.17 178.80 3i5i h GLY 737 N 6.24 -0.93 0.31 2.66 0.00 -1.97 -1.36 103.07 108.03 3i5i h GLY 737 Ca -0.43 0.51 0.08 0.00 0.00 0.00 0.00 47.33 47.49 3i5i h GLY 737 CO 0.73 -0.29 0.02 1.70 0.00 0.00 0.00 176.54 178.69 3i5i h LYS 738 N -0.73 0.13 -0.30 4.80 3.64 -1.95 0.21 116.57 122.36 3i5i h LYS 738 Ca -0.00 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 3i5i h LYS 738 Cb 0.72 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 3i5i h LYS 738 CO -0.19 0.08 -0.12 0.28 -2.27 0.00 0.00 179.45 177.23 3i5i h VAL 739 N 0.13 0.60 -0.60 2.00 2.07 -1.91 0.36 116.25 118.90 3i5i h VAL 739 Ca 0.22 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 3i5i h VAL 739 Cb 0.31 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3i5i h VAL 739 CO -0.35 0.00 0.31 0.58 0.02 0.00 0.00 177.57 178.13 3i5i h VAL 740 N -0.07 1.20 -0.33 2.57 2.07 -0.36 0.12 116.25 121.46 3i5i h VAL 740 Ca 0.15 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3i5i h VAL 740 Cb 0.30 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3i5i h VAL 740 CO -0.35 0.22 0.15 0.74 0.02 0.00 0.00 177.57 178.35 3i5i h THR 741 N 0.81 0.96 0.56 2.57 2.02 0.32 0.19 112.91 120.34 3i5i h THR 741 Ca 0.21 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 3i5i h THR 741 Cb 0.07 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3i5i h THR 741 CO -0.03 0.06 -0.35 -0.78 0.37 0.00 0.00 175.52 174.79 3i5i h ASP 742 N 0.31 -0.89 -0.45 4.18 1.82 -0.04 -2.09 116.42 119.26 3i5i h ASP 742 Ca 0.14 0.05 0.13 0.00 -0.39 0.00 0.00 57.03 56.96 3i5i h ASP 742 Cb 0.07 0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 3i5i h ASP 742 CO -0.11 -0.54 0.35 0.11 -1.61 0.00 0.00 179.24 177.44 3i5i h LYS 743 N -0.85 0.00 -0.13 0.28 1.57 -0.51 -0.93 116.57 116.00 3i5i h LYS 743 Ca -0.08 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.48 3i5i h LYS 743 Cb 0.69 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.01 3i5i h LYS 743 CO 0.07 0.00 -0.80 0.00 -0.57 0.00 0.00 179.45 178.15 3i5i h ALA 744 N 1.73 0.27 -0.07 3.86 0.00 -0.38 -3.05 119.26 121.63 3i5i h ALA 744 Ca 0.21 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3i5i h ALA 744 Cb 0.90 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3i5i h ALA 744 CO -0.00 0.66 -0.36 -0.07 0.00 0.00 0.00 179.25 179.48 3i5i h LEU 745 N 0.49 0.14 0.57 0.00 3.38 -0.49 -2.86 115.31 116.54 3i5i h LEU 745 Ca -0.06 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3i5i h LEU 745 Cb 1.44 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.15 3i5i h LEU 745 CO 0.16 0.49 -0.27 0.28 0.09 0.00 0.00 178.44 179.19 3i5i h SER 746 N 0.12 -0.65 -1.67 -0.43 0.02 -1.46 -3.05 113.55 106.44 3i5i h SER 746 Ca 0.01 0.02 0.52 0.00 -0.84 0.00 0.00 61.79 61.51 3i5i h SER 746 Cb 0.69 0.17 -0.11 0.00 0.14 0.00 0.00 62.40 63.29 3i5i h SER 746 CO 0.05 -0.29 1.15 0.00 -1.14 0.00 0.00 176.83 176.60 3i5i h ALA 747 N -1.30 3.34 -0.13 3.77 0.00 -1.53 4.28 119.26 127.68 3i5i h ALA 747 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i5i h ALA 747 Cb 0.59 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i5i h ALA 747 CO 0.13 -1.97 0.00 1.28 0.00 0.00 0.00 179.25 178.69 3i5i n LEU 748 N -4.35 1.39 -4.01 0.00 4.77 -1.08 -4.92 117.00 108.80 3i5i n LEU 748 Ca 0.42 -0.57 -0.32 0.00 -0.03 0.00 0.00 56.01 55.51 3i5i n LEU 748 Cb 1.79 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 42.78 3i5i n LEU 748 CO 0.31 0.28 -0.25 0.00 -1.33 0.00 0.00 177.39 176.41 3i5i n GLN 749 N 0.13 -1.74 -3.29 3.23 6.02 1.41 -4.90 117.38 118.23 3i5i n GLN 749 Ca 0.16 0.27 -0.39 0.00 -0.01 0.00 0.00 57.00 57.04 3i5i n GLN 749 Cb 0.29 -3.83 -0.06 0.00 1.02 0.00 0.00 30.24 27.66 3i5i n GLN 749 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3i5i s LEU 750 N -7.07 4.46 -0.20 1.08 2.96 -1.19 -4.99 118.68 113.74 3i5i s LEU 750 Ca 0.19 1.15 -0.38 0.00 -0.22 0.00 0.00 54.13 54.86 3i5i s LEU 750 Cb -0.09 -2.84 -0.15 0.00 0.50 0.00 0.00 46.19 43.62 3i5i s LEU 750 CO 0.93 0.21 1.74 -0.67 -1.32 0.00 0.00 176.35 177.23 3i5i n ASP 751 N 2.22 2.59 0.24 3.68 2.03 -1.26 -4.82 116.55 121.22 3i5i n ASP 751 Ca -0.10 1.06 0.18 0.00 0.52 0.00 0.00 54.79 56.45 3i5i n ASP 751 Cb 0.51 -1.20 0.80 0.00 -0.72 0.00 0.00 41.12 40.51 3i5i n ASP 751 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3i5i h PRO 752 N 7.43 0.00 -0.02 -0.67 0.11 -1.94 0.98 132.00 137.89 3i5i h PRO 752 Ca -0.47 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.47 3i5i h PRO 752 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3i5i h PRO 752 CO 0.94 0.00 -0.77 -0.91 -0.21 0.00 0.00 178.00 177.05 3i5i h ASN 753 N 0.00 0.20 0.00 -2.05 2.35 -2.03 -3.12 115.58 110.93 3i5i h ASN 753 Ca 0.08 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3i5i h ASN 753 Cb 0.78 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3i5i h ASN 753 CO -0.00 0.89 0.00 -0.62 -1.65 0.00 0.00 177.43 176.05 3i5i n GLU 754 N -3.72 0.37 -3.59 0.81 -0.58 0.34 -4.83 120.64 109.44 3i5i n GLU 754 Ca -0.03 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.67 3i5i n GLU 754 Cb 0.73 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 30.11 3i5i n GLU 754 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 3i5i s TYR 755 N -2.00 -0.20 0.01 -0.32 1.13 -1.18 -2.99 117.35 111.80 3i5i s TYR 755 Ca 0.17 0.07 -0.03 0.00 -1.41 0.00 0.00 57.07 55.87 3i5i s TYR 755 Cb 0.08 0.55 -0.01 0.00 -1.10 0.00 0.00 41.96 41.48 3i5i s TYR 755 CO 0.13 -0.44 0.04 1.03 -2.51 0.00 0.00 175.55 173.80 3i5i s ARG 756 N -2.82 0.31 -0.33 -3.49 0.52 -0.50 -4.86 118.95 107.78 3i5i s ARG 756 Ca 0.09 -0.40 -0.11 0.00 -0.52 0.00 0.00 55.73 54.79 3i5i s ARG 756 Cb -0.00 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 3i5i s ARG 756 CO -0.05 -0.06 0.20 -0.51 0.02 0.00 0.00 175.30 174.90 3i5i s LEU 757 N -1.11 4.33 0.36 2.53 1.43 -1.26 -0.74 118.68 124.22 3i5i s LEU 757 Ca -0.12 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.57 3i5i s LEU 757 Cb -0.07 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 3i5i s LEU 757 CO -0.00 -0.21 0.51 -0.83 0.23 0.00 0.00 176.35 176.04 3i5i s GLY 758 N 1.67 1.62 0.61 -3.19 0.00 0.11 -4.84 107.32 103.30 3i5i s GLY 758 Ca 0.05 -1.42 0.29 0.00 0.00 0.00 0.00 44.72 43.64 3i5i s GLY 758 CO 0.09 -1.31 1.91 3.43 0.00 0.00 0.00 173.10 177.21 3i5i h ASN 759 N 0.80 0.00 0.00 1.64 2.35 -1.74 -3.10 115.58 115.53 3i5i h ASN 759 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3i5i h ASN 759 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3i5i h ASN 759 CO 0.53 0.00 -0.02 0.35 -1.65 0.00 0.00 177.43 176.64 3i5i n THR 760 N -3.44 0.00 -3.97 2.81 -2.24 -1.26 -5.06 114.28 101.12 3i5i n THR 760 Ca 0.04 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 3i5i n THR 760 Cb 0.55 0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 69.56 3i5i n THR 760 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i5i s LYS 761 N -0.17 0.63 -0.23 -0.78 1.02 -1.17 -2.80 119.74 116.23 3i5i s LYS 761 Ca 0.00 -0.94 -0.06 0.00 0.02 0.00 0.00 55.97 54.98 3i5i s LYS 761 Cb 0.00 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 3i5i s LYS 761 CO 0.00 -0.15 0.04 0.54 -0.92 0.00 0.00 175.35 174.86 3i5i s VAL 762 N -3.22 4.16 -0.02 3.17 0.11 0.10 0.07 120.40 124.78 3i5i s VAL 762 Ca 0.00 -0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 58.58 3i5i s VAL 762 Cb 0.03 -2.93 -0.04 0.00 -1.53 0.00 0.00 36.38 31.91 3i5i s VAL 762 CO -0.07 0.37 0.74 -0.36 -3.33 0.00 0.00 175.10 172.45 3i5i s PHE 763 N 1.42 3.64 0.41 1.54 0.40 0.09 -1.91 117.98 123.58 3i5i s PHE 763 Ca 0.05 1.36 0.07 0.00 -0.60 0.00 0.00 56.93 57.81 3i5i s PHE 763 Cb -0.15 -2.82 -0.06 0.00 0.51 0.00 0.00 43.02 40.50 3i5i s PHE 763 CO 0.02 0.16 0.12 -0.06 0.70 0.00 0.00 175.22 176.17 3i5i s PHE 764 N 0.47 2.58 0.00 0.36 2.99 0.20 -1.41 117.98 123.18 3i5i s PHE 764 Ca 0.39 -0.61 0.00 0.00 0.00 0.00 0.00 56.93 56.71 3i5i s PHE 764 Cb -0.19 -1.89 0.00 0.00 0.00 0.00 0.00 43.02 40.94 3i5i s PHE 764 CO 0.20 0.28 0.00 1.63 -0.00 0.00 0.00 175.22 177.33 3i5i n LYS 765 N -1.15 3.33 -3.26 0.44 5.02 -1.16 -3.13 118.16 118.25 3i5i n LYS 765 Ca -0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.88 3i5i n LYS 765 Cb 0.65 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.60 3i5i n LYS 765 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i5i s ALA 766 N -2.70 3.56 0.00 7.82 0.00 -1.26 -4.08 121.76 125.11 3i5i s ALA 766 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3i5i s ALA 766 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.46 3i5i s ALA 766 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3i5i n GLY 767 N 1.96 2.03 0.28 0.00 0.00 -0.66 -4.87 105.19 103.94 3i5i n GLY 767 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3i5i n GLY 767 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i5i h VAL 768 N 0.00 0.00 -0.41 1.61 2.07 -1.86 1.13 116.25 118.79 3i5i h VAL 768 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3i5i h VAL 768 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3i5i h VAL 768 CO 0.00 0.00 0.36 -0.07 0.02 0.00 0.00 177.57 177.88 3i5i h LEU 769 N -0.48 0.00 -0.52 2.57 3.38 -1.89 0.19 115.31 118.56 3i5i h LEU 769 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3i5i h LEU 769 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3i5i h LEU 769 CO -0.11 0.00 0.20 1.23 0.09 0.00 0.00 178.44 179.85 3i5i h GLY 770 N 0.00 0.83 0.48 0.83 0.00 0.16 0.27 103.07 105.64 3i5i h GLY 770 Ca 0.19 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3i5i h GLY 770 CO -0.00 0.43 -0.17 1.98 0.00 0.00 0.00 176.54 178.78 3i5i h MET 771 N 0.70 -0.47 -0.92 4.80 1.85 0.38 -2.99 114.93 118.29 3i5i h MET 771 Ca 0.17 0.03 0.25 0.00 -0.61 0.00 0.00 59.70 59.55 3i5i h MET 771 Cb 0.21 0.11 -0.14 0.00 0.43 0.00 0.00 31.60 32.21 3i5i h MET 771 CO -0.01 -0.18 0.38 -0.07 -0.40 0.00 0.00 176.91 176.63 3i5i h LEU 772 N -1.01 0.25 -0.61 3.39 3.38 -1.00 0.48 115.31 120.19 3i5i h LEU 772 Ca -0.05 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3i5i h LEU 772 Cb 0.50 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3i5i h LEU 772 CO 0.08 -0.10 0.34 -0.08 0.09 0.00 0.00 178.44 178.78 3i5i h GLU 773 N 0.31 0.85 0.00 1.13 4.57 -0.49 -2.40 114.58 118.55 3i5i h GLU 773 Ca 0.60 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.63 3i5i h GLU 773 Cb 1.24 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 3i5i h GLU 773 CO -0.60 0.64 -0.28 0.22 -1.18 0.00 0.00 179.01 177.81 3i5i h ASP 774 N 0.83 0.00 0.80 1.04 1.82 0.03 -2.53 116.42 118.41 3i5i h ASP 774 Ca 0.22 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.67 3i5i h ASP 774 Cb 0.03 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 3i5i h ASP 774 CO -0.04 0.28 -0.89 0.24 -1.61 0.00 0.00 179.24 177.22 3i5i h MET 775 N 0.00 0.05 -0.14 0.28 2.86 -0.81 -2.85 114.93 114.32 3i5i h MET 775 Ca -0.00 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 3i5i h MET 775 Cb 0.69 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3i5i h MET 775 CO 0.04 0.90 -0.27 -0.09 1.06 0.00 0.00 176.91 178.55 3i5i h ARG 776 N 0.02 0.44 -0.78 1.72 2.43 -1.24 0.49 114.38 117.47 3i5i h ARG 776 Ca -0.02 -0.28 0.07 0.00 -0.81 0.00 0.00 59.98 58.94 3i5i h ARG 776 Cb 1.56 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 31.08 3i5i h ARG 776 CO 0.12 0.88 0.46 0.22 -1.51 0.00 0.00 179.97 180.14 3i5i h ASP 777 N 0.05 0.69 0.45 -3.80 1.82 -1.48 0.40 116.42 114.54 3i5i h ASP 777 Ca 0.01 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 3i5i h ASP 777 Cb 0.86 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.76 3i5i h ASP 777 CO 0.06 0.43 -0.29 -0.08 -1.61 0.00 0.00 179.24 177.76 3i5i h GLU 778 N 0.82 -0.67 -0.74 0.28 4.57 -1.28 -2.32 114.58 115.25 3i5i h GLU 778 Ca 0.35 0.05 0.13 0.00 -1.18 0.00 0.00 59.36 58.71 3i5i h GLU 778 Cb 0.22 0.15 -0.09 0.00 -0.16 0.00 0.00 28.75 28.87 3i5i h GLU 778 CO -0.19 -0.44 0.29 -0.09 -1.18 0.00 0.00 179.01 177.39 3i5i h ARG 779 N -0.69 0.43 -0.73 1.92 9.65 0.53 -1.32 114.38 124.17 3i5i h ARG 779 Ca -0.06 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3i5i h ARG 779 Cb 0.56 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.00 3i5i h ARG 779 CO 0.06 0.28 0.47 1.25 2.80 0.00 0.00 179.97 184.83 3i5i h LEU 780 N 0.44 0.84 -0.53 3.80 5.85 -0.18 0.19 115.31 125.73 3i5i h LEU 780 Ca 0.40 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 3i5i h LEU 780 Cb 0.59 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3i5i h LEU 780 CO -0.39 0.62 0.24 -1.28 -0.34 0.00 0.00 178.44 177.29 3i5i h SER 781 N 0.99 0.72 -0.04 1.25 0.87 -0.69 -1.59 113.55 115.05 3i5i h SER 781 Ca 0.27 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3i5i h SER 781 Cb -0.10 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 3i5i h SER 781 CO -0.06 0.66 0.02 0.50 -0.53 0.00 0.00 176.83 177.43 3i5i h LYS 782 N 0.72 0.04 -0.07 2.24 3.64 -0.64 -1.84 116.57 120.67 3i5i h LYS 782 Ca 0.18 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3i5i h LYS 782 Cb 0.15 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3i5i h LYS 782 CO -0.02 0.03 0.08 0.82 -2.27 0.00 0.00 179.45 178.09 3i5i h ILE 783 N 0.05 0.46 0.17 2.00 2.04 -0.63 -1.71 117.51 119.88 3i5i h ILE 783 Ca 0.01 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.56 3i5i h ILE 783 Cb -0.00 0.93 0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3i5i h ILE 783 CO -0.01 0.00 -1.33 0.40 0.00 0.00 0.00 178.15 177.21 3i5i h ILE 784 N 0.00 1.28 -0.60 -0.67 2.04 -0.48 -1.97 117.51 117.11 3i5i h ILE 784 Ca 0.03 -2.54 0.04 0.00 1.00 0.00 0.00 64.86 63.39 3i5i h ILE 784 Cb 0.20 2.81 -0.05 0.00 -0.74 0.00 0.00 36.82 39.04 3i5i h ILE 784 CO -0.00 0.77 0.34 0.28 0.00 0.00 0.00 178.15 179.54 3i5i h SER 785 N 0.24 0.51 -0.20 1.72 0.02 -0.84 0.64 113.55 115.63 3i5i h SER 785 Ca -0.21 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 3i5i h SER 785 Cb 2.00 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 64.43 3i5i h SER 785 CO 0.25 0.35 -0.00 0.24 -1.14 0.00 0.00 176.83 176.52 3i5i h MET 786 N 0.65 0.06 -0.25 3.45 2.86 -1.35 0.76 114.93 121.11 3i5i h MET 786 Ca 0.26 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.90 3i5i h MET 786 Cb 0.12 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3i5i h MET 786 CO -0.15 0.04 0.15 0.35 1.06 0.00 0.00 176.91 178.36 3i5i h PHE 787 N 0.06 0.29 -0.92 -0.22 3.57 -0.53 0.41 116.94 119.60 3i5i h PHE 787 Ca 0.09 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.76 3i5i h PHE 787 Cb 0.12 -0.09 -0.10 0.00 2.79 0.00 0.00 35.95 38.67 3i5i h PHE 787 CO -0.18 0.18 0.52 1.96 -2.23 0.00 0.00 178.31 178.55 3i5i h GLN 788 N 0.31 0.70 -0.91 1.11 4.20 -0.02 0.25 115.11 120.75 3i5i h GLN 788 Ca 0.09 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.87 3i5i h GLN 788 Cb -0.02 -0.16 -0.08 0.00 0.30 0.00 0.00 27.48 27.52 3i5i h GLN 788 CO -0.03 0.46 0.54 0.00 -0.67 0.00 0.00 178.83 179.13 3i5i h ALA 789 N 1.58 1.34 0.00 3.87 0.00 0.47 -0.46 119.26 126.06 3i5i h ALA 789 Ca 0.50 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 3i5i h ALA 789 Cb 0.71 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i5i h ALA 789 CO -0.36 0.14 -0.05 0.45 0.00 0.00 0.00 179.25 179.44 3i5i h HIS 790 N 0.87 0.00 0.00 0.00 3.86 0.18 -1.56 115.15 118.50 3i5i h HIS 790 Ca 0.45 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.65 3i5i h HIS 790 Cb 0.44 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 3i5i h HIS 790 CO -0.04 0.05 -0.02 0.82 0.86 0.00 0.00 177.93 179.60 3i5i h ILE 791 N 0.00 1.22 -0.93 2.45 2.04 -0.26 -1.85 117.51 120.18 3i5i h ILE 791 Ca -0.00 -1.92 0.20 0.00 1.00 0.00 0.00 64.86 64.14 3i5i h ILE 791 Cb 0.61 2.31 -0.07 0.00 -0.74 0.00 0.00 36.82 38.92 3i5i h ILE 791 CO 0.01 0.41 0.61 0.03 0.00 0.00 0.00 178.15 179.21 3i5i h ARG 792 N -1.00 0.47 -0.20 2.37 3.08 -1.14 0.90 114.38 118.86 3i5i h ARG 792 Ca -0.00 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 3i5i h ARG 792 Cb 0.69 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3i5i h ARG 792 CO -0.00 0.31 -0.34 0.78 -1.07 0.00 0.00 179.97 179.65 3i5i h GLY 793 N 0.48 0.46 0.33 0.04 0.00 -1.28 -1.42 103.07 101.68 3i5i h GLY 793 Ca 0.50 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 3i5i h GLY 793 CO -0.22 0.37 -0.04 -1.82 0.00 0.00 0.00 176.54 174.84 3i5i h TYR 794 N 0.36 -0.10 -0.75 5.60 3.20 0.14 -1.94 116.97 123.48 3i5i h TYR 794 Ca 0.04 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.02 3i5i h TYR 794 Cb 0.77 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 39.00 3i5i h TYR 794 CO 0.02 0.45 0.37 -0.07 -1.64 0.00 0.00 178.16 177.30 3i5i h LEU 795 N -0.77 0.46 -0.09 2.82 3.38 -0.08 -1.70 115.31 119.32 3i5i h LEU 795 Ca -0.01 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3i5i h LEU 795 Cb 0.59 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3i5i h LEU 795 CO 0.02 0.24 -0.21 -0.03 0.09 0.00 0.00 178.44 178.55 3i5i h MET 796 N 0.60 0.31 0.00 1.13 4.05 -1.34 -2.57 114.93 117.10 3i5i h MET 796 Ca 0.38 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 3i5i h MET 796 Cb 0.46 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 3i5i h MET 796 CO -0.30 0.81 0.07 0.00 0.23 0.00 0.00 176.91 177.71 3i5i h ARG 797 N -0.14 0.00 0.10 0.39 3.08 -0.96 0.44 114.38 117.28 3i5i h ARG 797 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3i5i h ARG 797 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 3i5i h ARG 797 CO 0.05 0.00 -1.23 -0.22 -1.07 0.00 0.00 179.97 177.49 3i5i h LYS 798 N 0.00 0.21 0.00 0.04 3.64 -1.16 -3.30 116.57 116.00 3i5i h LYS 798 Ca 0.00 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.00 3i5i h LYS 798 Cb 0.13 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3i5i h LYS 798 CO 0.00 1.17 -0.11 0.00 -2.27 0.00 0.00 179.45 178.24 3i5i h ALA 799 N -0.07 1.46 -0.31 5.00 0.00 0.10 -2.78 119.26 122.64 3i5i h ALA 799 Ca -0.27 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.60 3i5i h ALA 799 Cb 1.65 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 3i5i h ALA 799 CO 0.04 0.13 -0.01 -0.92 0.00 0.00 0.00 179.25 178.49 3i5i h TYR 800 N 0.00 -0.04 -1.00 0.00 3.20 -0.68 -0.37 116.97 118.07 3i5i h TYR 800 Ca -0.00 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.95 3i5i h TYR 800 Cb 0.25 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.52 3i5i h TYR 800 CO 0.00 -0.07 0.65 -0.22 -1.64 0.00 0.00 178.16 176.88 3i5i h LYS 801 N 0.08 1.15 0.88 1.82 3.64 -1.63 0.80 116.57 123.30 3i5i h LYS 801 Ca 0.15 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3i5i h LYS 801 Cb 0.21 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3i5i h LYS 801 CO -0.27 0.76 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.04 3i5i h LYS 802 N 1.19 -1.14 -0.96 1.90 3.64 -1.27 -0.08 116.57 119.84 3i5i h LYS 802 Ca 0.43 0.08 0.30 0.00 -1.27 0.00 0.00 60.65 60.18 3i5i h LYS 802 Cb 0.14 0.26 -0.15 0.00 -0.41 0.00 0.00 32.23 32.06 3i5i h LYS 802 CO -0.16 -0.76 0.41 -0.07 -2.27 0.00 0.00 179.45 176.60 3i5i h LEU 803 N -1.22 0.25 0.11 5.20 3.38 -0.76 1.23 115.31 123.50 3i5i h LEU 803 Ca -0.12 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i5i h LEU 803 Cb 0.91 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3i5i h LEU 803 CO 0.20 -0.19 -0.11 1.56 0.09 0.00 0.00 178.44 179.99 3i5i h GLN 804 N 0.23 -0.23 0.20 1.13 4.20 -0.36 -0.58 115.11 119.70 3i5i h GLN 804 Ca 0.68 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.41 3i5i h GLN 804 Cb 1.51 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.31 3i5i h GLN 804 CO -0.66 -0.15 -0.29 -0.44 -0.67 0.00 0.00 178.83 176.61 3i5i h ASP 805 N -0.24 -0.82 0.00 1.46 3.32 0.32 -1.72 116.42 118.74 3i5i h ASP 805 Ca 0.01 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3i5i h ASP 805 Cb 0.23 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3i5i h ASP 805 CO -0.03 -0.40 0.04 0.00 -1.72 0.00 0.00 179.24 177.13 3i5i n GLN 806 N -5.41 0.06 0.08 3.56 6.02 0.12 -0.49 117.38 121.32 3i5i n GLN 806 Ca -0.08 0.54 -0.19 0.00 -0.01 0.00 0.00 57.00 57.26 3i5i n GLN 806 Cb 0.31 -1.74 -0.15 0.00 1.02 0.00 0.00 30.24 29.69 3i5i n GLN 806 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3i5i h ARG 807 N 0.00 0.33 -0.45 -1.09 2.43 -0.18 -2.76 114.38 112.65 3i5i h ARG 807 Ca 0.00 -0.56 0.06 0.00 -0.81 0.00 0.00 59.98 58.67 3i5i h ARG 807 Cb 0.08 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 3i5i h ARG 807 CO 0.00 1.22 0.16 0.82 -1.51 0.00 0.00 179.97 180.65 3i5i h ILE 808 N 0.09 0.85 0.00 1.20 1.08 -0.54 -1.08 117.51 119.11 3i5i h ILE 808 Ca -0.27 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3i5i h ILE 808 Cb 2.06 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 3i5i h ILE 808 CO 0.18 0.06 0.00 0.61 -0.69 0.00 0.00 178.15 178.31 3i5i n GLY 809 N -1.25 -2.39 0.33 5.37 0.00 -0.92 -2.59 105.19 103.74 3i5i n GLY 809 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.26 3i5i n GLY 809 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i5i h LEU 810 N 0.00 -0.17 -1.01 0.99 5.85 -1.49 2.09 115.31 121.57 3i5i h LEU 810 Ca 0.00 0.27 0.10 0.00 0.84 0.00 0.00 57.88 59.08 3i5i h LEU 810 Cb 0.00 0.39 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 3i5i h LEU 810 CO 0.00 -0.36 0.64 0.74 -0.34 0.00 0.00 178.44 179.12 3i5i h THR 811 N 0.03 0.99 -0.37 1.05 2.02 -1.21 0.10 112.91 115.52 3i5i h THR 811 Ca 0.68 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 3i5i h THR 811 Cb 1.55 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3i5i h THR 811 CO -0.85 0.20 0.16 -0.07 0.37 0.00 0.00 175.52 175.33 3i5i h LEU 812 N 1.07 0.50 -1.24 2.58 3.38 0.36 0.34 115.31 122.31 3i5i h LEU 812 Ca 0.47 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 3i5i h LEU 812 Cb 0.35 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3i5i h LEU 812 CO -0.23 0.52 -0.17 0.40 0.09 0.00 0.00 178.44 179.05 3i5i h ILE 813 N 0.45 1.21 0.09 1.22 2.04 0.08 0.23 117.51 122.83 3i5i h ILE 813 Ca 0.12 -0.96 -0.31 0.00 1.00 0.00 0.00 64.86 64.71 3i5i h ILE 813 Cb 0.17 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3i5i h ILE 813 CO -0.01 0.30 -1.60 1.56 0.00 0.00 0.00 178.15 178.40 3i5i h GLN 814 N 0.29 0.19 0.00 2.37 4.20 -0.77 -0.78 115.11 120.62 3i5i h GLN 814 Ca 0.05 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3i5i h GLN 814 Cb 0.47 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3i5i h GLN 814 CO 0.03 1.01 0.00 -2.13 -0.67 0.00 0.00 178.83 177.07 3i5i n ARG 815 N -3.38 0.81 -0.03 1.46 0.63 0.10 -1.91 116.66 114.34 3i5i n ARG 815 Ca -0.18 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.73 3i5i n ARG 815 Cb 1.04 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 32.41 3i5i n ARG 815 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3i5i n ASN 816 N -1.04 3.67 0.11 6.15 3.02 0.78 -4.48 115.26 123.47 3i5i n ASN 816 Ca 0.20 -0.01 -0.08 0.00 -0.03 0.00 0.00 54.58 54.66 3i5i n ASN 816 Cb 0.11 0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 39.60 3i5i n ASN 816 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3i5i h VAL 817 N 0.00 0.20 -0.97 2.41 2.07 -1.09 -3.05 116.25 115.82 3i5i h VAL 817 Ca -0.14 -0.80 0.32 0.00 0.82 0.00 0.00 66.70 66.90 3i5i h VAL 817 Cb 1.28 0.35 -0.16 0.00 -1.52 0.00 0.00 31.29 31.23 3i5i h VAL 817 CO -0.00 0.05 0.43 0.03 0.02 0.00 0.00 177.57 178.10 3i5i h ARG 818 N -1.06 0.19 -0.51 1.57 3.08 -1.61 1.59 114.38 117.62 3i5i h ARG 818 Ca -0.04 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3i5i h ARG 818 Cb 0.38 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3i5i h ARG 818 CO 0.06 0.12 -0.08 -0.22 -1.07 0.00 0.00 179.97 178.79 3i5i h LYS 819 N 0.19 0.96 -0.63 0.04 1.63 -1.79 -1.85 116.57 115.13 3i5i h LYS 819 Ca 0.71 -0.35 0.03 0.00 -0.85 0.00 0.00 60.65 60.19 3i5i h LYS 819 Cb 1.63 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 33.16 3i5i h LYS 819 CO -0.69 1.01 0.39 2.35 -3.45 0.00 0.00 179.45 179.07 3i5i h TRP 820 N 0.83 0.73 0.00 1.91 7.01 0.22 0.96 115.95 127.61 3i5i h TRP 820 Ca 0.14 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 3i5i h TRP 820 Cb 0.63 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.45 3i5i h TRP 820 CO 0.05 0.42 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.02 3i5i h LEU 821 N 0.77 0.00 0.00 0.65 3.38 -0.03 -1.36 115.31 118.72 3i5i h LEU 821 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3i5i h LEU 821 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3i5i h LEU 821 CO -0.10 0.02 0.00 0.52 0.09 0.00 0.00 178.44 178.97 3i5i n VAL 822 N -4.43 0.00 -0.53 1.22 0.31 -0.03 -4.24 118.33 110.63 3i5i n VAL 822 Ca -0.03 0.31 0.42 0.00 -0.01 0.00 0.00 64.34 65.03 3i5i n VAL 822 Cb 0.11 -0.91 0.64 0.00 -0.91 0.00 0.00 33.84 32.76 3i5i n VAL 822 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i5i n LEU 823 N -1.39 0.00 0.00 7.52 4.77 0.31 -1.22 117.00 126.99 3i5i n LEU 823 Ca 0.00 0.82 0.01 0.00 -0.03 0.00 0.00 56.01 56.81 3i5i n LEU 823 Cb 0.00 -0.39 0.06 0.00 -2.33 0.00 0.00 43.42 40.76 3i5i n LEU 823 CO 0.00 -0.82 0.21 -2.11 -1.33 0.00 0.00 177.39 173.35 3i5i n ARG 824 N -3.51 0.12 -0.19 3.23 1.85 -0.52 -1.94 116.66 115.71 3i5i n ARG 824 Ca 0.35 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 57.22 3i5i n ARG 824 Cb 1.66 -1.26 0.03 0.00 -1.05 0.00 0.00 32.46 31.84 3i5i n ARG 824 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i5i n ASN 825 N -0.76 0.90 -4.37 2.89 3.02 -0.36 -4.96 115.26 111.61 3i5i n ASN 825 Ca 0.02 -2.00 -0.45 0.00 -0.03 0.00 0.00 54.58 52.11 3i5i n ASN 825 Cb 0.01 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 3i5i n ASN 825 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3i5i s TRP 826 N -0.85 3.85 0.00 3.10 -0.00 -0.82 -4.94 118.94 119.29 3i5i s TRP 826 Ca 0.07 -2.22 0.00 0.00 -0.00 0.00 0.00 56.10 53.95 3i5i s TRP 826 Cb 0.07 -3.96 0.00 0.00 -0.00 0.00 0.00 33.47 29.57 3i5i s TRP 826 CO 0.01 -1.10 0.00 0.39 -0.00 0.00 0.00 176.95 176.25 3i5i n GLU 827 N 4.05 0.00 -0.32 5.86 4.71 -1.26 0.62 120.64 134.30 3i5i n GLU 827 Ca 0.23 0.00 0.17 0.00 -0.01 0.00 0.00 57.16 57.54 3i5i n GLU 827 Cb 0.43 0.00 0.36 0.00 -1.01 0.00 0.00 31.44 31.23 3i5i n GLU 827 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 3i5i h TRP 828 N 0.00 0.81 -0.62 -0.32 4.06 -1.97 0.47 115.95 118.37 3i5i h TRP 828 Ca 0.00 0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.05 3i5i h TRP 828 Cb 0.00 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 27.90 3i5i h TRP 828 CO 0.00 -0.04 0.33 2.35 -3.56 0.00 0.00 178.44 177.51 3i5i h TRP 829 N 0.44 0.60 -0.73 0.49 2.91 1.81 -1.38 115.95 120.08 3i5i h TRP 829 Ca 0.62 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.70 3i5i h TRP 829 Cb 1.24 -0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 29.66 3i5i h TRP 829 CO -0.08 0.28 0.46 0.00 -1.03 0.00 0.00 178.44 178.07 3i5i h ARG 830 N 0.61 0.87 0.50 2.65 3.08 0.09 -3.16 114.38 119.02 3i5i h ARG 830 Ca 0.28 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3i5i h ARG 830 Cb 0.19 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i5i h ARG 830 CO -0.19 0.57 -0.31 -0.07 -1.07 0.00 0.00 179.97 178.90 3i5i h LEU 831 N 0.89 -0.79 0.00 3.04 3.38 -0.64 -1.45 115.31 119.74 3i5i h LEU 831 Ca 0.30 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3i5i h LEU 831 Cb 0.03 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i5i h LEU 831 CO -0.12 -0.48 0.00 2.22 0.09 0.00 0.00 178.44 180.16 3i5i n PHE 832 N -4.31 0.00 0.98 1.13 1.16 -1.05 0.39 117.46 115.76 3i5i n PHE 832 Ca -0.09 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.60 3i5i n PHE 832 Cb 0.32 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.23 3i5i n PHE 832 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3i5i n ASN 833 N -0.92 0.77 0.05 5.98 5.03 -0.60 -3.67 115.26 121.90 3i5i n ASN 833 Ca 0.03 -0.65 -0.00 0.00 0.87 0.00 0.00 54.58 54.83 3i5i n ASN 833 Cb 0.02 0.68 -0.00 0.00 -1.02 0.00 0.00 39.78 39.46 3i5i n ASN 833 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3i5i n LYS 834 N -1.52 0.00 -0.35 3.52 5.02 0.60 -4.59 118.16 120.84 3i5i n LYS 834 Ca 0.05 0.00 0.33 0.00 -2.02 0.00 0.00 58.31 56.67 3i5i n LYS 834 Cb 0.34 -0.51 0.51 0.00 -0.02 0.00 0.00 35.03 35.35 3i5i n LYS 834 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i5i n VAL 835 N -3.49 0.00 -0.12 -0.18 0.31 1.28 -2.20 118.33 113.93 3i5i n VAL 835 Ca -0.00 1.22 -0.16 0.00 -0.01 0.00 0.00 64.34 65.38 3i5i n VAL 835 Cb 0.02 -2.13 -0.11 0.00 -0.91 0.00 0.00 33.84 30.72 3i5i n VAL 835 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i5i n LYS 836 N -3.30 0.59 0.24 5.55 5.02 -1.24 -4.08 118.16 120.94 3i5i n LYS 836 Ca 0.28 0.14 0.17 0.00 -2.02 0.00 0.00 58.31 56.87 3i5i n LYS 836 Cb 1.55 -1.47 0.74 0.00 -0.02 0.00 0.00 35.03 35.84 3i5i n LYS 836 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3i5i h PRO 837 N -0.01 0.00 -1.00 1.97 0.10 -1.69 0.98 132.00 132.35 3i5i h PRO 837 Ca -0.52 0.00 -0.32 0.00 0.10 0.00 0.00 66.00 65.25 3i5i h PRO 837 Cb 1.81 0.00 -0.19 0.00 0.10 0.00 0.00 31.00 32.72 3i5i h PRO 837 CO -0.08 0.00 0.41 1.28 0.10 0.00 0.00 178.00 179.71 3i5i n LEU 838 N -3.16 5.34 0.00 2.35 4.77 -1.16 -5.15 117.00 119.99 3i5i n LEU 838 Ca 0.02 -2.81 0.15 0.00 -0.03 0.00 0.00 56.01 53.34 3i5i n LEU 838 Cb 0.52 -0.71 0.92 0.00 -2.33 0.00 0.00 43.42 41.82 3i5i n LEU 838 CO 0.18 0.84 1.08 0.18 -1.33 0.00 0.00 177.39 178.34