NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4442 8.3044 118.1961 54.8523 32.6390 177.9408 5 S 4.2100 8.6610 112.6262 56.8491 63.6394 169.9769 6 L 4.6864 9.4343 130.0502 55.6055 43.6204 174.6794 7 Y 5.0609 9.4132 123.0083 56.2298 42.8254 174.0940 8 R 5.2755 8.9136 121.6495 54.5522 33.6907 174.0466 9 L 5.3154 9.2837 126.9022 53.3567 45.6903 174.9171 10 I 5.2132 8.9146 126.8537 59.7172 40.3184 174.2060 11 Y 5.4674 8.7516 123.8198 55.4613 42.1291 173.9361 12 S 5.3565 9.1532 114.2548 57.0476 67.0931 172.6442 13 S 4.9326 8.9132 114.1288 57.9382 67.1981 172.6614 14 Q 4.8240 8.8322 119.3139 53.8262 30.1368 176.1282 15 G 4.4629 9.2007 113.2474 46.0907 0.0000 173.1129 16 I 4.0579 8.7462 116.8505 60.3184 38.2623 175.1563 17 P 4.2887 0.0000 0.0000 65.6554 31.2386 177.2694 18 N 4.9647 7.8239 112.9831 52.5056 39.1100 174.6073 19 L 4.0151 7.5696 120.9682 55.5549 42.7578 176.9729 20 Q 4.6658 9.0114 124.8786 53.5973 32.2327 174.9609 21 P 4.2149 0.0000 0.0000 66.0960 31.2860 178.7478 22 Q 4.0230 8.0842 117.6591 59.2353 28.9459 178.0137 23 D 4.3271 7.9206 119.4664 57.2243 40.9693 178.4959 24 L 3.9365 7.8091 119.4404 57.6334 41.5582 179.2142 25 K 3.8459 8.3672 119.9423 59.8512 32.0613 178.3389 26 D 4.3380 8.1874 118.8821 57.4140 40.6610 178.7421 27 I 3.6492 7.8017 120.1939 64.6226 37.0684 178.5760 28 L 4.1584 8.0650 119.5361 57.5479 41.4041 179.3922 29 E 3.9890 8.5568 119.1436 59.4524 29.4014 179.4559 30 S 4.0595 8.0832 115.0658 61.7359 62.8376 176.8209 31 S 3.8224 8.2668 118.0387 61.7668 62.3875 176.7558 32 Q 4.0703 8.2290 121.0137 59.0621 28.8454 177.8373 33 R 4.0028 7.8624 119.2043 58.9604 30.5264 177.4779 34 N 4.5794 7.9372 115.4523 55.2483 39.2629 177.1162 35 N 4.0709 7.8956 117.9656 55.7942 38.5853 175.5030 36 P 4.2659 0.0000 0.0000 65.6692 31.2727 178.4177 37 A 3.9942 7.9551 118.5302 55.2675 18.3650 177.7866 38 N 4.5701 7.9963 110.0116 53.0199 38.6514 175.5506 39 G 3.9199 7.8889 106.1462 46.4783 0.0000 173.5901 40 I 4.5043 7.9772 121.1972 59.8152 38.1788 175.6756 41 T 4.9658 9.6960 115.1528 59.7675 71.8826 173.1202 42 G 4.0687 7.3076 106.4704 46.2803 0.0000 171.9292 43 L 3.7839 7.7406 119.8384 53.7543 45.7235 174.5897 44 L 5.1891 8.0537 127.0788 53.4244 44.7721 174.2158 45 C 5.4077 9.2701 126.4977 57.7367 34.9055 171.7708 46 Y 4.9088 9.1992 126.3914 56.0874 41.3961 173.9489 47 S 5.0347 8.6581 124.9052 54.7385 63.8337 172.5475 48 K 3.0508 7.6311 125.0476 54.1859 31.8065 173.4140 49 P 4.6482 0.0000 0.0000 61.6151 32.7636 174.8740 50 A 4.9321 7.8685 123.4016 51.4284 20.8764 176.7032 51 F 5.4068 9.0401 118.8904 55.8135 42.2485 174.8062 52 L 5.0224 9.0762 123.5754 53.4608 45.1240 174.9827 53 Q 5.1347 8.6667 127.0708 54.1037 33.2271 173.9078 54 V 4.9623 8.5339 123.4456 59.8427 34.4258 174.1761 55 L 5.3770 9.1221 124.8783 53.0032 44.5905 175.3437 56 E 5.1827 10.2130 122.2260 53.9653 33.9443 176.5291 57 G 4.1971 7.9962 108.4481 45.3344 0.0000 171.1852 58 E 4.5027 8.0519 119.7943 55.9907 31.6109 177.9023 59 C 3.7506 8.7655 125.9474 62.6797 31.4854 175.8551 60 E 3.8608 8.1917 120.1236 59.3935 29.1942 178.6824 61 Q 3.9429 8.1397 117.6057 58.8527 28.7019 178.7464 62 V 3.6035 8.2231 119.6830 66.1931 31.5558 177.8709 63 N 4.4264 8.2645 116.1802 56.1779 38.4517 177.0524 64 E 3.9184 8.4696 120.9746 59.5581 29.7255 178.9653 65 T 3.7634 8.0850 115.8949 66.7896 68.5339 175.8662 66 Y 3.9431 8.2320 121.6135 61.2343 38.5965 178.0756 67 H 3.9053 8.1250 115.4773 58.2338 28.8973 177.6189 68 R 3.9270 7.7793 120.7863 59.3675 29.9642 178.3746 69 I 3.5224 7.6050 119.7005 64.6117 36.8460 178.8623 70 V 3.4065 7.0867 111.8023 64.0062 31.3446 177.9388 71 Q 4.1690 7.4493 115.5271 55.8825 28.7135 175.7345 72 D 4.4043 7.5646 122.0731 54.0112 41.6001 176.4103 73 E 4.3215 8.7203 124.9631 57.7512 29.8826 177.4519 74 R 4.3776 8.5642 118.6839 56.8417 30.5828 175.3302 75 H 5.4620 7.8005 111.6142 54.7474 31.8658 171.5496 76 H 4.7893 8.9161 115.0133 54.5717 31.9734 172.8255 77 S 4.0511 8.7221 112.8995 58.9688 59.9156 171.5860 78 P 4.6165 0.0000 0.0000 62.9701 32.3215 176.1422 79 Q 4.6137 9.5066 119.8896 54.0211 31.8650 174.8377 80 I 4.0900 8.5427 126.0789 61.7076 37.0530 176.2211 81 I 4.1691 8.9463 129.1903 63.5566 38.1154 176.1558 82 E 4.7738 7.8124 120.2140 55.2608 33.1309 173.7267 83 C 5.3035 8.4429 125.7379 58.4002 34.4923 172.5922 84 M 4.5050 8.7399 121.8858 53.4806 34.4482 172.4771 85 P 4.0084 0.0000 0.0000 62.4450 32.1308 175.7185 86 I 4.5901 8.0636 115.3633 59.1836 40.1648 175.9120 87 R 4.0676 8.7156 122.4446 59.0390 30.3181 176.8301 88 R 4.4616 7.1932 110.7579 54.9683 31.7557 174.5317 89 R 4.3977 8.1244 117.6837 56.4886 30.7274 176.5567 90 N 5.3224 9.9520 116.0872 52.2862 40.2787 174.5282 91 F 4.8420 8.7872 117.6005 55.5550 40.7047 175.7448 92 E 3.7383 8.1687 124.5125 58.4683 29.7773 176.8508 93 V 4.6902 7.2721 110.1917 59.1607 36.9046 173.9878 94 W 4.9633 8.7620 132.4147 57.0219 31.2703 175.5266 95 S 3.8503 7.4008 123.3606 58.1106 61.5518 173.5398 96 M 4.1463 8.6619 127.8048 58.3005 32.3275 176.1123 97 Q 4.0491 8.3923 118.7091 55.8538 29.9684 175.0273 98 A 3.7951 7.2676 126.1076 48.2663 17.6964 175.9204 99 I 4.1614 8.3425 124.4587 60.3643 38.7845 175.1792 100 T 4.9509 8.3716 117.8104 60.3600 70.6584 174.3948 101 V 4.4852 8.6331 124.8056 61.5929 34.4617 173.9241 102 N 5.0275 8.9734 126.2172 52.2284 39.6166 174.1748 103 D 4.4788 8.6599 116.2897 56.4787 41.3669 177.0983 104 L 4.5008 8.1031 117.3246 55.0977 42.0882 176.8411 105 S 4.4401 7.6451 115.5008 58.2293 63.5616 174.8185 106 T 4.1325 8.2258 118.3221 63.5059 70.1637 175.5736 107 E 3.9650 8.7593 122.9612 59.6057 29.4916 179.5429 108 Q 3.9423 8.0300 119.0784 59.2603 29.1688 178.4941 109 V 3.6927 7.7567 118.6468 66.0471 31.7144 177.8938 110 K 4.0444 8.3625 118.3826 59.8935 31.7721 179.5016 111 T 3.9485 8.2521 116.1679 66.2611 68.0980 176.5652 112 L 4.0585 7.8645 121.6542 58.1710 42.3358 178.8053 113 V 3.8317 8.2201 118.2374 66.1641 31.3536 177.7248 114 L 4.0764 8.1349 119.9489 58.0219 41.6542 178.5881 115 K 3.6961 8.1212 119.1726 58.8195 32.0580 176.6631 116 Y 4.6599 7.4832 113.3046 57.5981 38.1918 174.6548 117 S 4.5817 7.7703 114.8022 57.1944 66.0636 175.0473 118 G 3.3963 8.5264 108.1763 47.4445 0.0000 172.8216 119 F 4.7495 7.3063 117.3374 56.8030 43.1039 173.8173 120 T 4.3109 8.6891 114.3260 62.8544 67.5511 174.1468 121 T 4.4346 7.5916 110.9850 60.1540 70.4200 174.0271 122 L 3.8846 8.3233 127.3572 55.0480 42.4979 176.7230 123 R 4.4463 8.0876 124.8142 53.1149 31.3986 173.6135 124 P 4.2286 0.0000 0.0000 65.4192 31.6154 178.9648 125 S 4.2006 8.1283 110.7363 60.1535 62.9806 174.4980 126 A 4.7020 7.9926 122.6768 51.8477 19.1387 175.6320 127 M 4.9317 7.7935 116.9936 54.0727 34.8495 176.1886 128 D 4.7636 8.9855 122.9215 51.8405 42.3999 175.9146 129 P 4.2255 0.0000 0.0000 65.7131 31.1341 178.5702 130 E 3.9345 8.2068 117.5708 59.3303 29.5869 178.7463 131 Q 3.9892 8.8658 118.4746 59.1268 28.8425 178.3751 132 C 4.0800 8.2745 117.9378 62.8384 28.1347 176.0651 133 L 4.0498 8.0729 121.7245 58.4221 41.6868 178.8242 134 N 4.2160 8.2515 116.5822 55.8485 38.2883 177.1904 135 F 3.7707 7.7295 122.2447 61.2303 39.5220 177.1625 136 L 3.8596 8.0348 118.4326 57.7513 41.4482 179.5652 137 L 3.8917 8.2386 119.0850 57.9213 41.5789 179.3915 138 D 4.2997 8.1180 118.8893 57.3799 40.7965 178.7293 139 I 3.6652 7.7381 119.2117 63.8178 37.8292 177.7709 140 A 4.0513 8.0856 121.8754 54.8418 18.1801 179.6055 141 K 4.2758 7.9116 119.5074 59.2302 32.1016 179.0702 142 I 3.6606 7.5487 118.8053 64.5541 37.1099 177.2034 143 Y 4.1799 7.8924 113.9460 56.9939 37.8749 175.1264 144 E 3.8111 7.8899 118.1834 57.5515 27.9112 176.2327 145 L 4.2462 8.1866 118.0169 56.9135 43.0969 178.5962 146 S 3.7067 7.7310 113.2936 59.1847 61.0349 170.7523 147 D 4.4339 8.4198 112.1374 54.2588 40.5021 175.5454 148 N 4.4197 8.2984 110.1692 53.4553 38.0719 173.5033 149 F 4.0328 8.2495 120.2398 57.6829 39.6133 175.2908 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 4 M 8.30 4.44 0.00 2.15 1.39 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 5 S 8.66 4.21 0.00 4.13 3.98 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 6 L 9.43 4.69 0.00 1.86 1.55 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.41 5.06 0.00 3.05 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.91 5.28 0.00 1.91 1.75 0.00 3.18 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 9 L 9.28 5.32 0.00 1.70 1.48 0.42 0.68 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 10 I 8.91 5.21 1.90 0.00 0.00 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 1.31 0.59 0.91 0.00 0.00 11 Y 8.75 5.47 0.00 3.23 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 12 S 9.15 5.36 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.91 4.93 0.00 4.16 4.28 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 14 Q 8.83 4.82 0.00 1.60 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 15 G 9.20 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.75 4.06 1.94 0.00 0.00 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 1.50 1.16 1.05 0.00 0.00 17 P 0.00 4.29 0.00 2.09 2.21 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 18 N 7.82 4.96 0.00 2.72 2.82 0.00 0.00 6.83 7.85 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 19 L 7.57 4.02 0.00 1.83 1.63 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 9.01 4.67 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 21 P 0.00 4.21 0.00 2.15 2.12 0.00 3.61 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 2.13 2.17 0.00 22 Q 8.08 4.02 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 23 D 7.92 4.33 0.00 2.91 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 24 L 7.81 3.94 0.00 1.79 1.66 0.56 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.37 3.85 0.00 1.87 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.51 7.81 26 D 8.19 4.34 0.00 2.92 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.80 3.65 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.82 0.00 0.00 28 L 8.06 4.16 0.00 1.93 1.79 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.56 3.99 0.00 2.15 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 2.35 2.50 0.00 30 S 8.08 4.06 0.00 4.02 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.27 3.82 0.00 4.20 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.23 4.07 0.00 2.21 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 33 R 7.86 4.00 0.00 2.02 2.10 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 34 N 7.94 4.58 0.00 2.62 2.71 0.00 0.00 7.04 7.06 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 35 N 7.90 4.07 0.00 1.99 2.59 0.00 0.00 7.06 8.77 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 36 P 0.00 4.27 0.00 2.18 2.17 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 37 A 7.96 3.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.00 4.57 0.00 2.88 2.91 0.00 0.00 7.05 7.14 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 39 G 7.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.98 4.50 1.84 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 1.47 0.80 0.83 0.00 0.00 41 T 9.70 4.97 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 42 G 7.31 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.74 3.78 0.00 1.33 0.98 0.66 0.30 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 44 L 8.05 5.19 0.00 2.03 1.56 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.27 5.41 0.00 3.05 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 46 Y 9.20 4.91 0.00 2.95 2.73 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 0.00 0.00 0.00 0.00 47 S 8.66 5.03 0.00 3.73 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 3.05 0.00 1.81 1.65 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.04 7.81 49 P 0.00 4.65 0.00 2.09 2.25 0.00 3.51 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 50 A 7.87 4.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.04 5.41 0.00 3.14 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 52 L 9.08 5.02 0.00 1.68 1.48 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.67 5.13 0.00 1.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 54 V 8.53 4.96 1.93 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 0.03 0.00 0.00 0.90 0.00 0.00 55 L 9.12 5.38 0.00 1.67 1.67 1.09 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 E 10.21 5.18 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 57 G 8.00 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.05 4.50 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 59 C 8.77 3.75 0.00 2.77 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 60 E 8.19 3.86 0.00 2.03 2.22 0.00 0.00 0.00 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 2.36 0.00 61 Q 8.14 3.94 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 62 V 8.22 3.60 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 1.19 0.00 0.00 1.08 0.00 0.00 63 N 8.26 4.43 0.00 3.07 2.89 0.00 0.00 6.70 7.28 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 64 E 8.47 3.92 0.00 2.07 2.06 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 2.28 2.47 0.00 65 T 8.09 3.76 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 1.16 0.00 0.00 66 Y 8.23 3.94 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 3.91 0.00 3.20 3.30 0.00 5.91 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.78 3.93 0.00 1.96 2.00 0.00 3.04 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 69 I 7.61 3.52 1.63 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 1.39 0.74 0.68 0.00 0.00 70 V 7.09 3.41 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.69 0.00 0.00 71 Q 7.45 4.17 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 72 D 7.56 4.40 0.00 2.73 2.47 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 0.00 73 E 8.72 4.32 0.00 2.00 1.99 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 2.31 2.31 0.00 74 R 8.56 4.38 0.00 1.96 1.98 0.00 3.10 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 75 H 7.80 5.46 0.00 3.48 3.38 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.92 4.79 0.00 3.32 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.72 4.05 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.22 1.92 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 79 Q 9.51 4.61 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 80 I 8.54 4.09 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.45 0.85 0.00 0.00 81 I 8.95 4.17 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.93 0.00 0.00 82 E 7.81 4.77 0.00 2.02 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 83 C 8.44 5.30 0.00 2.94 2.78 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 0.00 0.00 0.00 0.00 84 M 8.74 4.51 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 85 P 0.00 4.01 0.00 1.75 1.79 0.00 3.35 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 86 I 8.06 4.59 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.89 0.00 0.00 87 R 8.72 4.07 0.00 1.79 1.99 0.00 3.37 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 88 R 7.19 4.46 0.00 1.66 1.75 0.00 2.83 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 89 R 8.12 4.40 0.00 1.83 2.35 0.00 3.41 0.00 0.00 3.44 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 90 N 9.95 5.32 0.00 2.51 2.51 0.00 0.00 6.75 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.79 4.84 0.00 3.26 3.01 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 0.00 0.00 0.00 92 E 8.17 3.74 0.00 1.72 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 93 V 7.27 4.69 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 94 W 8.76 4.96 0.00 3.69 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.40 3.85 0.00 3.56 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 M 8.66 4.15 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 97 Q 8.39 4.05 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.27 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 98 A 7.27 3.80 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.34 4.16 1.75 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 0.56 0.00 0.00 100 T 8.37 4.95 4.31 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 1.31 0.00 0.00 101 V 8.63 4.49 2.12 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 1.09 0.00 0.00 1.12 0.00 0.00 102 N 8.97 5.03 0.00 2.87 2.82 0.00 0.00 6.23 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.66 4.48 0.00 2.64 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 0.00 104 L 8.10 4.50 0.00 1.84 1.69 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.65 4.44 0.00 4.02 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 0.00 106 T 8.23 4.13 4.28 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 1.28 0.00 0.00 107 E 8.76 3.97 0.00 2.06 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 0.00 2.41 2.45 0.00 108 Q 8.03 3.94 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 109 V 7.76 3.69 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.07 0.00 0.00 110 K 8.36 4.04 0.00 2.00 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.67 7.81 111 T 8.25 3.95 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 112 L 7.86 4.06 0.00 1.97 2.13 0.79 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.22 3.83 2.31 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 0.98 0.00 0.00 1.14 0.00 0.00 114 L 8.13 4.08 0.00 1.99 1.84 0.87 0.23 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 0.00 115 K 8.12 3.70 0.00 1.79 1.77 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.61 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.52 1.18 7.81 116 Y 7.48 4.66 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.77 4.58 0.00 3.92 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 0.00 118 G 8.53 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 7.31 4.75 0.00 3.16 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 0.00 120 T 8.69 4.31 4.33 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 1.26 0.00 0.00 121 T 7.59 4.43 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 122 L 8.32 3.88 0.00 1.43 1.50 0.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.09 4.45 0.00 1.84 1.77 0.00 3.12 0.00 0.00 3.58 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 124 P 0.00 4.23 0.00 2.16 2.10 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 125 S 8.13 4.20 0.00 3.99 4.01 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 0.00 0.00 0.00 126 A 7.99 4.70 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.79 4.93 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 128 D 8.99 4.76 0.00 2.91 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 0.00 129 P 0.00 4.23 0.00 2.19 2.16 0.00 3.62 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 2.13 2.28 0.00 130 E 8.21 3.93 0.00 2.06 2.12 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 2.43 2.43 0.00 131 Q 8.87 3.99 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 132 C 8.27 4.08 0.00 3.13 3.01 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 0.00 0.00 0.00 133 L 8.07 4.05 0.00 1.87 1.81 1.15 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.25 4.22 0.00 2.55 2.62 0.00 0.00 6.70 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.73 3.77 0.00 2.86 3.17 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 0.00 0.00 0.00 136 L 8.03 3.86 0.00 2.13 1.84 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.24 3.89 0.00 1.72 1.57 0.80 0.55 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 0.00 138 D 8.12 4.30 0.00 2.82 2.73 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 0.00 0.00 0.00 0.00 139 I 7.74 3.67 1.24 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.68 0.00 0.00 140 A 8.09 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.91 4.28 0.00 1.90 2.00 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 142 I 7.55 3.66 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 0.65 0.00 0.00 143 Y 7.89 4.18 0.00 3.04 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 0.00 144 E 7.89 3.81 0.00 2.10 1.99 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 2.21 2.36 0.00 145 L 8.19 4.25 0.00 1.61 1.65 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.73 3.71 0.00 4.16 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.42 4.43 0.00 2.59 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.30 4.42 0.00 2.77 2.76 0.00 0.00 7.69 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.25 4.03 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00