NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5142 8.2893 120.3493 55.7123 32.4700 175.2971 2 N 4.6020 9.4676 124.3101 49.4620 40.3934 174.4592 3 R 3.9682 8.5687 116.6773 59.3117 29.7972 179.7391 4 Q 3.9221 8.0695 119.9612 59.1835 29.2794 177.9118 5 E 3.9972 9.2286 119.9876 59.2390 29.4703 179.1056 6 L 4.0229 7.9822 120.5476 57.9936 42.0254 179.0678 7 I 3.7433 8.1140 120.5972 64.4655 37.0192 178.4357 8 T 3.8466 7.9570 110.7316 64.7550 68.4176 176.4127 9 E 3.9084 8.0190 120.7101 59.2511 29.5033 179.2197 10 A 4.0145 8.0644 120.7192 55.0836 18.1625 179.7096 11 L 3.9311 7.9053 117.1350 57.6930 41.9181 179.6198 12 K 4.0960 8.0544 118.4054 59.3315 32.0507 179.0986 13 A 3.9881 8.3185 121.4965 55.3276 18.2425 179.4854 14 R 3.9626 8.1508 117.0483 59.7818 29.8507 178.0615 15 D 4.5320 7.8671 116.7867 56.2332 40.9167 177.4079 16 M 4.2663 7.8648 117.9410 54.6378 32.8050 176.2726 17 A 4.1224 7.0979 122.4416 52.9420 19.1224 176.9984 18 Y 4.5587 8.8332 123.1147 55.7426 39.3350 174.7845 19 A 4.6351 7.5394 131.3568 49.7225 19.0477 175.2378 20 P 4.1328 0.0000 0.0000 64.2538 32.5233 178.4521 21 Y 4.2322 7.7169 116.5631 60.3488 38.2215 176.6377 22 S 4.3548 8.3809 112.1324 58.0106 63.8326 174.5340 23 K 3.8328 7.9803 118.7207 57.1595 29.7698 175.1936 24 F 4.6667 8.0647 121.8419 56.4241 39.4458 174.2170 25 Q 4.3674 7.9727 126.5828 54.8460 29.7979 175.8203 26 V 4.4157 9.0203 122.0278 60.9354 35.1635 174.4182 27 G 4.4545 9.3184 113.2242 44.4982 0.0000 171.4224 28 A 5.3185 8.9598 122.4073 50.0417 23.3856 175.0991 29 A 5.0086 9.0029 121.6669 50.1663 22.5588 174.7045 30 L 4.8464 9.2247 125.7162 53.3241 44.4569 174.6881 31 L 5.2171 8.9937 129.5071 53.7992 43.9978 176.1480 32 T 4.9199 8.9124 117.2038 60.6434 70.5757 176.0834 33 K 3.9413 8.7757 121.8299 59.8615 32.0009 178.3660 34 D 4.4816 8.0231 115.0825 54.8447 40.8448 176.9330 35 G 3.8938 8.2926 107.7922 45.3763 0.0000 173.5622 36 K 4.2453 8.2324 120.9627 55.1590 33.1812 175.3879 37 V 4.8618 7.9721 124.0485 61.3245 33.8395 174.0078 38 Y 4.6496 9.0587 125.7355 56.3494 40.2057 175.0798 39 R 4.9290 8.7778 123.3874 55.2158 31.9701 175.9667 40 G 4.4506 9.2694 109.0226 45.0704 0.0000 170.9838 41 C 5.6355 8.5173 113.9108 56.4337 33.3684 172.9143 42 N 4.9616 8.7146 117.7530 53.1187 38.9515 174.0034 43 I 5.1266 9.1203 121.5123 60.0862 40.8809 175.1940 44 E 4.7975 9.3514 127.8503 55.4675 31.4168 175.1830 45 N 5.0647 8.2900 116.9036 52.0680 41.9033 173.8555 46 A 3.0635 8.6799 126.5115 54.5225 18.6237 177.5737 47 A 4.3664 8.6743 119.9685 50.5678 18.1062 176.9122 48 Y 4.2513 8.6757 120.4767 62.0806 38.1514 179.8653 49 S 4.1880 8.1430 112.3061 61.0482 63.0199 174.7480 50 M 4.3398 8.1805 119.4119 55.9329 32.1611 176.2584 51 C 4.4880 7.9032 117.5321 60.1234 29.2003 172.6987 52 N 5.1138 9.4398 121.0563 52.0662 41.5771 173.6516 53 C 4.7055 8.6235 122.4740 59.0113 30.0677 174.5552 54 A 4.1192 8.6199 123.9679 54.9249 17.9594 179.8894 55 E 3.7745 8.1323 116.2186 59.5562 29.5752 179.4032 56 A 3.2390 7.6475 119.9990 55.0906 18.3709 179.4587 57 T 3.7812 7.8396 114.1098 66.7874 68.5041 176.5991 58 A 3.9598 7.8619 122.3661 55.2202 18.3325 179.7545 59 L 3.6171 7.5344 117.4742 57.7588 41.6051 179.7627 60 F 4.5316 8.3263 118.1555 60.3661 38.5980 177.5081 61 K 3.8974 8.1064 118.1248 59.4982 32.3796 178.1888 62 A 2.5960 7.6254 120.8199 54.9342 18.2824 179.6251 63 V 3.8276 8.3205 118.1773 65.6052 31.3654 178.4028 64 S 4.2338 8.1257 112.7387 60.8128 62.9424 175.3909 65 E 4.3779 7.9261 120.3166 56.4768 29.7021 177.0875 66 G 3.9324 8.0618 107.6928 44.9892 0.0000 173.1099 67 D 4.6758 7.8931 120.8546 53.5494 41.2098 176.6222 68 T 4.2550 8.1765 112.1940 60.5678 70.1703 173.2773 69 E 4.1000 7.3495 122.6804 54.8167 30.6342 174.6483 70 F 5.6030 8.0779 122.0526 55.7822 41.9596 175.3241 71 Q 4.6730 9.3427 117.4522 57.1023 31.4046 174.9540 72 M 5.2241 7.8048 117.1873 54.2365 36.0769 173.0900 73 L 5.1778 9.2743 126.1671 53.2981 45.5288 174.7336 74 A 5.2641 8.9765 128.1910 50.2288 22.0118 175.3649 75 V 4.8418 8.7547 120.4626 61.1091 35.3648 174.2059 76 A 5.3445 9.3608 128.1537 50.5582 22.8458 174.6295 77 A 4.4029 8.1933 120.8268 50.2887 22.8412 175.8845 78 D 4.6119 7.9002 120.1350 53.2785 40.0759 175.4847 79 T 4.7320 7.2140 112.1562 59.1873 71.8863 174.5423 80 P 4.3066 0.0000 0.0000 65.2064 31.5298 176.1453 81 G 4.4151 7.4942 104.5928 42.8877 0.0000 169.9313 82 P 4.3730 0.0000 0.0000 62.4788 31.7891 177.1789 83 V 3.7749 8.0238 123.9355 61.7153 31.9690 175.4901 84 S 4.6431 8.5527 118.9925 55.9852 63.1062 171.9814 85 P 4.4539 0.0000 0.0000 62.6628 31.9601 176.8339 86 C 4.5195 8.5260 117.3871 57.7069 31.8033 174.8812 87 G 3.7471 8.7076 108.0530 48.2141 0.0000 175.6561 88 A 4.0436 7.9725 122.5188 55.1977 18.4764 179.4072 89 C 4.1160 8.0133 114.7110 62.9719 28.1840 176.3440 90 R 4.0388 8.1367 119.7476 59.1238 29.3370 178.9481 91 Q 3.9707 8.0651 119.5167 59.1790 29.0264 178.4361 92 V 3.6695 7.8952 119.2837 66.0164 31.4907 178.0310 93 I 3.6668 8.3343 120.1732 64.4211 36.7771 178.6076 94 S 4.1384 8.2679 113.8938 60.7191 62.7443 175.7474 95 E 4.2116 7.5588 122.3053 58.8244 29.8730 177.7349 96 L 4.3764 8.0932 116.3669 55.0899 42.3860 176.5856 97 C 5.1614 7.7213 116.7446 57.5862 31.1639 174.1085 98 T 4.1876 8.2930 112.9330 61.1717 69.0434 175.5604 99 K 3.9352 8.7091 122.0958 59.4310 32.1804 178.0958 100 D 4.7937 7.9016 115.8834 53.8820 41.0086 176.4856 101 V 3.8201 7.7410 121.4140 63.1282 32.9086 174.9182 102 I 4.3373 8.4791 128.6317 60.6145 38.8496 174.7755 103 V 4.6656 9.1514 127.6470 61.2633 33.5771 174.4203 104 V 4.5302 9.1876 129.8870 61.4696 33.1830 174.1910 105 L 4.9663 9.0812 129.0114 53.4599 44.1898 175.8513 106 T 5.6611 8.9865 117.1363 60.8096 71.5783 171.1315 107 N 5.9281 8.3271 119.9861 51.5343 38.6156 175.0804 108 L 4.6293 8.5963 121.9535 55.0506 41.9862 176.2734 109 Q 4.4914 8.5500 116.9718 55.6760 29.6926 176.6848 110 G 3.9313 8.5363 104.7146 45.5209 0.0000 174.2497 111 Q 4.2352 7.9690 119.8041 55.7983 29.9355 175.1158 112 I 5.1014 8.3340 123.9229 59.3440 40.7704 174.5404 113 K 4.5705 9.3865 128.5672 54.4496 34.8925 174.0777 114 E 5.2821 8.8354 128.2474 54.6825 31.9613 174.4446 115 M 5.0419 8.8841 122.9047 54.4722 35.5600 173.9396 116 T 4.6884 9.2557 110.7617 60.6288 70.7188 176.1921 117 V 3.5809 8.1543 120.8673 65.9821 31.3085 177.6228 118 E 3.9619 7.8978 118.6538 59.5471 29.3243 178.8225 119 E 4.0335 7.9356 116.9945 59.1076 29.5087 178.6920 120 L 4.2690 7.7344 120.0330 57.1021 43.3515 177.2513 121 L 4.5973 7.6107 120.2762 52.6598 43.1900 171.4562 122 P 4.7563 0.0000 0.0000 62.8271 31.9923 176.4198 123 G 3.9489 9.1081 109.9105 45.9163 0.0000 173.3482 124 A 4.0175 7.5079 121.5348 51.8679 18.8103 178.5216 125 F 4.3042 8.8860 124.2839 58.7779 39.9824 174.3293 126 S 4.6013 8.3953 121.1238 56.3123 66.4909 174.7155 127 S 4.0064 8.6045 113.9490 61.4982 62.5108 176.5144 128 E 3.9291 8.0229 119.2263 59.2018 29.3177 177.9746 129 D 4.3432 7.6718 117.8581 56.3773 41.1329 176.3408 130 L 4.2249 7.4826 123.3061 54.8449 41.6655 176.3884 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.51 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 N 9.47 4.60 0.00 3.03 2.96 0.00 0.00 6.68 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.57 3.97 0.00 2.06 2.24 0.00 2.97 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 4 Q 8.07 3.92 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 5 E 9.23 4.00 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 6 L 7.98 4.02 0.00 1.78 1.78 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.11 3.74 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.66 0.90 0.00 0.00 8 T 7.96 3.85 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 9 E 8.02 3.91 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 10 A 8.06 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.91 3.93 0.00 1.77 1.72 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.05 4.10 0.00 1.97 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.62 7.81 13 A 8.32 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.15 3.96 0.00 1.97 2.11 0.00 3.14 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 15 D 7.87 4.53 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 M 7.86 4.27 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 17 A 7.10 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.83 4.56 0.00 3.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.54 4.64 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.13 0.00 1.58 1.80 0.00 2.84 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.12 0.00 21 Y 7.72 4.23 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.38 4.35 0.00 3.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.98 3.83 0.00 1.94 1.94 0.00 1.50 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.35 7.81 24 F 8.06 4.67 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.97 4.37 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 26 V 9.02 4.42 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.76 0.00 0.00 27 G 9.32 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.96 5.32 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 9.00 5.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 9.22 4.85 0.00 1.60 1.67 0.55 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.99 5.22 0.00 1.81 1.70 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.91 4.92 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 33 K 8.78 3.94 0.00 1.74 1.92 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.52 7.81 34 D 8.02 4.48 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.29 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.23 4.25 0.00 1.77 1.70 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.94 1.17 7.81 37 V 7.97 4.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 38 Y 9.06 4.65 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.78 4.93 0.00 1.71 1.85 0.00 3.14 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 40 G 9.27 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.52 5.64 0.00 2.99 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.71 4.96 0.00 2.91 3.00 0.00 0.00 5.75 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 9.12 5.13 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 1.11 0.00 0.00 44 E 9.35 4.80 0.00 1.83 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 45 N 8.29 5.06 0.00 2.70 2.79 0.00 0.00 6.86 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.68 3.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.67 4.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.68 4.25 0.00 2.88 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.14 4.19 0.00 3.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.18 4.34 0.00 2.02 2.33 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 51 C 7.90 4.49 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.44 5.11 0.00 2.85 2.71 0.00 0.00 7.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.62 4.71 0.00 2.89 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.62 4.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.13 3.77 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 56 A 7.65 3.24 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.84 3.78 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 58 A 7.86 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.53 3.62 0.00 1.46 1.54 0.72 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.33 4.53 0.00 3.15 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.11 3.90 0.00 1.90 2.08 0.00 2.10 0.00 0.00 1.97 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.60 7.81 62 A 7.63 2.60 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.32 3.83 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.12 0.00 0.00 64 S 8.13 4.23 0.00 4.08 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.93 4.38 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 66 G 8.06 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.89 4.68 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.18 4.26 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 69 E 7.35 4.10 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 70 F 8.08 5.60 0.00 2.93 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.34 4.67 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 72 M 7.80 5.22 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 73 L 9.27 5.18 0.00 1.63 1.41 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.98 5.26 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.75 4.84 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.90 0.00 0.00 76 A 9.36 5.34 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.19 4.40 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.90 4.61 0.00 2.56 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.21 4.73 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 80 P 0.00 4.31 0.00 2.07 2.18 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 81 G 7.49 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.37 0.00 1.95 2.16 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 83 V 8.02 3.77 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.05 0.00 0.00 84 S 8.55 4.64 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.45 0.00 2.08 2.09 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 86 C 8.53 4.52 0.00 3.14 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.71 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.97 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 C 8.01 4.12 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.14 4.04 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 91 Q 8.07 3.97 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 92 V 7.90 3.67 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.09 0.00 0.00 93 I 8.33 3.67 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.57 0.89 0.00 0.00 94 S 8.27 4.14 0.00 4.03 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.56 4.21 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 96 L 8.09 4.38 0.00 1.69 1.86 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 97 C 7.72 5.16 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.29 4.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 99 K 8.71 3.94 0.00 1.85 1.93 0.00 1.65 0.00 0.00 1.96 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.49 7.81 100 D 7.90 4.79 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.74 3.82 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.15 0.00 0.00 102 I 8.48 4.34 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.43 0.92 0.00 0.00 103 V 9.15 4.67 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 104 V 9.19 4.53 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 105 L 9.08 4.97 0.00 1.66 1.71 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.99 5.66 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 107 N 8.33 5.93 0.00 2.95 2.89 0.00 0.00 6.32 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.60 4.63 0.00 1.63 1.69 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.55 4.49 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 110 G 8.54 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.97 4.24 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 112 I 8.33 5.10 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.91 0.00 0.00 113 K 9.39 4.57 0.00 1.74 1.62 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.34 7.81 114 E 8.84 5.28 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 115 M 8.88 5.04 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 116 T 9.26 4.69 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 117 V 8.15 3.58 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 118 E 7.90 3.96 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 119 E 7.94 4.03 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 120 L 7.73 4.27 0.00 1.78 1.92 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.61 4.60 0.00 1.72 1.49 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.76 0.00 2.09 1.99 0.00 3.95 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 123 G 9.11 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.51 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.89 4.30 0.00 2.98 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.40 4.60 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.60 4.01 0.00 3.98 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.02 3.93 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 129 D 7.67 4.34 0.00 1.91 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.48 4.22 0.00 1.76 1.58 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00