NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4154 8.3344 116.7928 58.3455 64.5405 172.8374 3 H 4.1791 8.3551 122.1479 53.2337 30.0364 173.9272 4 P 4.3633 0.0000 0.0000 65.9206 31.8020 177.3099 5 D 4.6017 8.3835 117.2866 55.5435 40.6258 177.5254 6 L 3.9712 7.9975 122.3169 58.3799 41.8219 178.5175 7 N 4.3640 7.6878 114.2567 56.0628 38.7682 177.2697 8 K 4.3223 8.0505 120.2207 59.3175 32.1501 178.9865 9 L 4.0910 7.9892 120.1652 58.1952 41.7236 178.6284 10 L 4.0410 7.5833 119.6688 58.1523 42.0483 178.5490 11 E 4.2008 7.8791 117.5019 59.2787 29.8367 178.8760 12 L 4.2828 8.0100 118.6411 56.9933 41.7449 178.6714 13 W 4.1637 8.6456 129.0994 60.4320 30.4263 176.0688 14 P 4.2109 0.0000 0.0000 66.1334 30.5407 178.2810 15 H 4.2371 7.9759 114.4292 58.6912 28.6801 177.9279 16 I 3.5622 7.3093 121.2700 64.2488 36.9147 178.0133 17 Q 3.7543 7.7451 120.5945 59.1310 28.8464 178.1902 18 E 3.9392 7.8674 119.7929 59.4854 29.4679 178.7418 19 Y 4.1234 7.7717 119.6647 60.7416 38.8684 177.7799 20 Q 3.7128 7.8872 120.3449 59.0726 28.9464 177.9265 21 D 4.2872 8.1437 120.1047 57.1921 40.9139 178.4915 22 L 3.8907 7.7945 120.5523 58.0329 41.9907 178.9051 23 A 3.8981 7.6874 120.7793 54.9010 18.3152 179.2954 24 L 4.0107 7.7576 120.2651 57.6494 41.9083 179.1972 25 K 4.0049 7.6851 118.7072 58.8883 32.0662 177.4767 26 H 4.7527 7.4922 113.2429 55.1656 29.0516 175.7281 27 G 3.8334 7.9349 108.3714 45.2910 0.0000 173.6799 28 I 4.3056 7.8104 121.5545 59.3355 38.0653 176.4448 29 N 4.3601 8.6632 123.6381 55.3243 38.6482 175.1317 30 D 4.4804 7.6500 118.1742 52.8053 42.9527 175.4380 31 I 3.7278 8.5387 121.8455 62.9797 37.7285 177.3915 32 F 5.1554 8.1017 118.8726 57.4795 39.1458 175.3275 33 Q 4.6171 7.5349 118.8002 54.8983 32.3228 175.0197 34 G 4.1219 9.3071 106.3778 47.2563 0.0000 173.1927 35 N 4.1991 8.3925 111.5469 53.6557 36.8608 176.9968 36 G 4.0013 8.2072 106.2821 48.4080 0.0000 176.4435 37 G 3.7879 8.0500 108.1323 46.9361 0.0000 175.6572 38 K 4.2694 7.9164 120.0333 58.7498 32.3875 178.7383 39 L 3.9766 8.3810 121.1763 58.0879 41.9726 178.8013 40 L 3.8744 7.8900 120.2575 58.0504 41.9743 178.7183 41 Q 3.9684 7.6865 119.6706 59.2360 29.0310 178.4975 42 V 3.5278 7.7716 119.0640 65.9505 31.5705 177.9920 43 L 3.9502 8.0493 118.7871 57.8333 41.2289 179.5609 44 L 3.9884 7.7722 117.9251 57.5574 41.5624 179.4369 45 I 3.7943 7.4911 119.3939 64.5708 37.1938 178.2575 46 T 4.0946 7.7806 109.0227 62.5708 68.9571 175.8463 47 G 3.9185 8.0856 108.8806 44.7633 0.0000 173.4451 48 L 4.5070 7.2614 118.9311 54.7674 42.5948 176.5046 49 T 4.7349 8.5325 110.5914 60.0257 72.4974 173.0750 50 V 4.5341 8.2494 116.7917 59.7344 32.7404 175.9913 51 L 4.0857 8.5081 127.0253 54.6466 40.9240 174.8423 52 P 4.2249 0.0000 0.0000 63.9453 31.8667 176.5897 53 G 3.9233 8.8583 109.1067 45.2220 0.0000 173.7348 54 R 4.0261 7.3262 115.8103 55.6847 28.6943 176.2068 55 E 4.4157 8.6215 117.5396 55.7118 30.9147 175.8202 56 G 4.0229 8.2790 115.7407 46.9638 0.0000 172.9177 57 N 4.7855 8.6147 122.1528 52.6469 38.6445 174.3546 58 D 4.7719 7.4153 118.0942 54.8673 42.1310 175.4325 59 A 4.9886 8.8364 122.5005 50.3762 23.4114 175.0925 60 V 5.2510 8.9899 111.8677 59.8471 36.1657 175.6379 61 D 5.1893 8.5655 122.9349 51.7902 42.0259 176.6463 62 N 4.4706 8.9303 114.4456 54.7096 37.4253 175.3701 63 A 4.2961 8.3789 121.1770 52.2719 19.4809 178.0898 64 G 3.9281 8.3008 104.1760 45.0434 0.0000 173.3829 65 Q 4.0900 8.0951 121.5015 55.5104 29.7394 174.7567 66 E 4.9749 8.3586 124.4899 56.1707 31.1733 175.2264 67 Y 4.9843 8.8751 118.6182 56.4155 43.0438 173.6108 68 E 4.8582 8.3585 122.3506 53.6786 31.7587 174.4589 69 L 5.0114 8.1861 126.1003 52.8702 44.0941 175.8278 70 K 4.7721 8.7246 122.3397 54.8132 36.1477 174.9724 71 S 5.5120 8.7098 114.8908 57.5837 65.7952 172.7597 72 I 4.5194 8.8221 123.0544 59.8434 42.0708 173.1630 73 N 5.2052 8.6573 127.0805 51.9062 39.1477 174.9958 74 I 3.9432 9.1165 128.2066 63.3977 38.2588 177.2990 75 D 4.4951 8.3345 118.4458 55.5481 40.6829 176.5834 76 L 4.7803 7.5256 115.6814 55.0891 43.1847 176.4240 77 T 4.6240 8.1614 116.3219 61.7501 71.8098 173.8440 78 K 4.5485 8.6673 124.4893 56.0928 34.1818 175.2859 79 G 4.2982 7.7701 105.3490 44.9389 0.0000 172.4168 80 F 4.7494 9.2268 122.9817 57.0092 40.1213 175.7892 81 S 4.4432 9.0315 119.7133 59.6648 63.2322 172.3990 82 T 4.6274 9.8715 108.7939 61.9462 71.1968 173.4732 83 H 4.8073 7.9482 116.6160 53.8569 33.9372 174.0599 84 H 4.1977 8.9020 125.8750 58.9705 30.5491 174.1636 85 H 5.2840 8.1285 114.1991 54.0766 28.0829 173.6919 86 M 4.0681 8.4121 120.2579 56.0535 33.7128 175.7272 87 N 4.3837 8.2951 121.6785 49.9706 40.8178 173.2682 88 P 3.9097 0.0000 0.0000 65.7659 30.5822 179.0804 89 V 3.4176 7.3216 116.2986 65.9328 31.5561 178.0640 90 I 3.3806 7.5705 119.4295 64.2431 36.8788 178.4711 91 I 3.5724 7.6942 120.5789 64.3111 36.6930 178.3811 92 A 3.9642 7.6163 120.5446 54.7949 18.4818 179.7013 93 K 4.0480 7.5685 116.5172 59.9447 32.0708 178.9880 94 Y 4.7113 7.8838 116.9473 61.5415 37.6285 179.0860 95 R 4.0414 7.7559 117.1919 58.4890 30.1972 178.0806 96 Q 4.3935 7.8731 116.0245 55.8705 29.4018 175.6316 97 V 4.6301 7.0615 112.3983 58.9056 35.9453 173.6723 98 P 4.9138 0.0000 0.0000 62.3510 33.2167 175.0672 99 W 5.1463 9.3714 120.9062 55.1183 32.5290 174.9413 100 I 5.0351 8.5743 124.2006 59.7156 39.3544 174.4440 101 F 5.1623 9.7721 126.5963 55.6620 41.3004 174.4624 102 A 5.2851 9.2884 126.1559 50.3628 21.7765 175.3337 103 I 4.9132 8.9177 122.7039 59.8478 40.0756 174.5057 104 Y 5.0576 9.2961 124.6383 56.3178 41.7848 175.3551 105 R 4.8505 9.3958 121.0192 54.6227 32.4063 176.2507 106 G 4.1649 9.5089 116.1191 45.2311 0.0000 172.2181 107 I 4.3365 8.5535 116.3099 59.9308 37.8540 174.3620 108 A 4.5432 7.8244 125.6822 50.9911 19.3528 177.2192 109 I 3.4797 8.3362 124.1152 60.9265 38.7981 174.5630 110 E 4.5584 8.8762 128.4414 57.7807 31.0503 175.2609 111 A 4.7304 7.4786 117.9473 51.4168 23.0925 175.0890 112 I 5.2337 8.0807 118.7096 60.0573 41.5477 174.3235 113 Y 5.2605 9.4655 123.7849 56.1509 41.9923 174.4248 114 R 5.3961 9.1534 122.1644 54.7000 33.3746 174.3358 115 L 5.2346 9.1301 124.9547 53.1148 45.6682 176.3191 116 E 4.8018 9.0987 122.3057 54.7235 31.2115 175.7427 117 P 4.4029 0.0000 0.0000 66.0238 31.0758 179.1028 118 K 4.0605 8.1008 115.6465 59.9634 32.4795 178.0759 119 D 4.5592 8.0957 118.0915 55.4289 41.2473 177.1848 120 L 4.4294 7.5821 118.3873 54.2069 42.8901 177.5902 121 E 3.9129 8.0739 119.6183 59.0804 28.8635 178.0262 122 F 3.9348 8.1207 120.3009 61.6216 39.2402 176.6592 123 Y 2.9225 7.2489 115.7837 60.5356 37.5263 177.4800 124 Y 4.4785 6.9960 117.1040 61.3187 38.1554 178.1889 125 D 4.3278 8.2941 119.1285 57.0694 41.4007 178.2145 126 K 3.7870 7.2679 118.9506 59.3059 32.2047 178.9165 127 W 4.5282 8.3783 119.6774 59.8160 28.8741 178.1889 128 E 4.1427 8.6732 119.4401 59.4014 29.1355 178.8226 129 R 4.0671 8.0830 118.3966 59.3989 30.0728 178.4445 130 K 4.0894 8.2805 119.3506 58.9892 32.1924 178.5995 131 W 4.0823 8.5340 128.7918 60.7831 30.6588 177.6540 132 Y 3.8844 8.1976 116.3879 61.1310 37.1550 178.2898 133 S 4.1962 8.1056 112.9012 61.4501 62.6201 175.2887 134 D 4.5737 8.1134 118.8756 54.5537 40.9819 176.2867 135 G 3.5579 7.6020 107.3835 46.6989 0.0000 173.1425 136 H 2.0000 7.2476 110.1071 55.9118 26.2370 175.7927 137 K 4.2836 6.4602 118.4665 53.9640 34.4837 174.9543 138 D 5.0777 8.7538 126.0126 55.0732 41.8688 175.7148 139 I 4.2188 8.4373 123.0178 60.1985 39.1153 174.8515 140 N 5.1825 8.7889 126.1858 51.6971 37.9977 173.7599 141 N 4.1307 8.3103 127.3338 53.6173 37.6975 172.4106 142 P 4.4933 0.0000 0.0000 62.9489 32.7361 177.7294 143 K 4.9092 8.6277 120.7181 55.2868 34.6390 175.8248 144 I 4.0588 8.2222 123.6332 58.8149 39.0268 173.9305 145 P 4.5951 0.0000 0.0000 62.4654 32.1314 177.9152 146 V 3.8228 8.2457 121.7622 65.9547 31.4717 178.5151 147 K 3.9382 8.0564 119.2065 59.4661 32.0713 178.0365 148 Y 3.9368 7.8976 119.4836 60.4808 38.7568 177.8762 149 V 3.2165 7.5963 118.7303 66.2896 31.3955 178.0374 150 M 3.0326 7.4999 116.8356 57.7000 31.7536 177.9994 151 E 4.1269 7.6759 117.0064 57.4805 30.0048 176.7757 152 H 4.4951 7.7020 113.5494 55.0742 29.6787 173.4056 153 G 4.2759 7.5444 106.4245 44.7506 0.0000 172.7391 154 T 4.7315 8.7396 116.7048 61.4897 70.3940 174.6559 155 K 3.6294 8.7298 128.5632 56.5927 32.0302 176.2194 156 I 4.2440 8.6236 128.7937 62.3869 38.8653 175.4684 157 Y 4.1607 7.4384 126.5047 57.7685 38.7607 174.0791 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 2 S 8.33 4.42 0.00 3.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.36 4.18 0.00 3.25 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.36 0.00 2.30 2.29 0.00 3.36 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 5 D 8.38 4.60 0.00 2.69 2.74 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 0.00 0.00 0.00 6 L 8.00 3.97 0.00 1.90 1.68 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.69 4.36 0.00 2.91 2.89 0.00 0.00 7.11 7.50 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 8 K 8.05 4.32 0.00 1.96 1.88 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.56 7.81 9 L 7.99 4.09 0.00 1.76 1.91 0.93 0.54 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 10 L 7.58 4.04 0.00 1.65 1.90 0.96 0.97 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 11 E 7.88 4.20 0.00 2.14 2.05 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 2.38 2.67 0.00 12 L 8.01 4.28 0.00 1.98 1.80 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.65 4.16 0.00 3.64 3.19 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 14 P 0.00 4.21 0.00 2.06 2.07 0.00 3.84 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 15 H 7.98 4.24 0.00 3.34 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.31 3.56 0.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.12 0.58 0.00 0.00 17 Q 7.75 3.75 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 18 E 7.87 3.94 0.00 2.21 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 2.32 2.30 0.00 19 Y 7.77 4.12 0.00 2.88 2.97 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 20 Q 7.89 3.71 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 21 D 8.14 4.29 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 3.89 0.00 1.73 1.66 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.69 3.90 1.11 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 0.00 0.00 24 L 7.76 4.01 0.00 1.91 1.77 0.88 0.20 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 25 K 7.69 4.00 0.00 1.70 2.00 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.41 7.81 26 H 7.49 4.75 0.00 3.11 3.25 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.93 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 0.00 0.00 0.00 28 I 7.81 4.31 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.10 0.82 0.00 0.00 29 N 8.66 4.36 0.00 2.69 2.86 0.00 0.00 6.87 8.04 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 30 D 7.65 4.48 0.00 2.61 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 31 I 8.54 3.73 1.60 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.36 0.55 0.00 0.00 32 F 8.10 5.16 0.00 3.25 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 33 Q 7.53 4.62 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.31 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 34 G 9.31 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 0.00 0.00 0.00 0.00 35 N 8.39 4.20 0.00 2.90 2.85 0.00 0.00 6.85 7.62 0.00 0.00 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 G 8.21 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 0.00 0.00 0.00 37 G 8.05 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.92 4.27 0.00 1.79 1.66 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.69 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.12 1.27 7.81 39 L 8.38 3.98 0.00 1.70 1.81 0.90 0.48 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 40 L 7.89 3.87 0.00 1.68 1.57 0.73 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.69 3.97 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 42 V 7.77 3.53 2.23 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 0.95 0.00 0.00 1.02 0.00 0.00 43 L 8.05 3.95 0.00 1.84 1.77 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.77 3.99 0.00 1.70 1.67 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.49 3.79 1.64 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.43 0.52 0.00 0.00 46 T 7.78 4.09 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 1.17 0.00 0.00 47 G 8.09 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 48 L 7.26 4.51 0.00 1.47 1.54 0.59 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.53 4.73 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 1.21 0.00 0.00 50 V 8.25 4.53 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 0.71 0.00 0.00 0.91 0.00 0.00 51 L 8.51 4.09 0.00 1.87 1.82 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.22 0.00 2.19 2.08 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 53 G 8.86 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 54 R 7.33 4.03 0.00 1.91 2.17 0.00 3.16 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 55 E 8.62 4.42 0.00 2.14 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 0.00 2.26 2.27 0.00 56 G 8.28 4.02 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 0.00 57 N 8.61 4.79 0.00 2.62 2.78 0.00 0.00 6.75 8.33 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 58 D 7.42 4.77 0.00 2.65 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 59 A 8.84 4.99 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 60 V 8.99 5.25 2.14 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 0.76 0.00 0.00 0.96 0.00 0.00 61 D 8.57 5.19 0.00 2.90 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 62 N 8.93 4.47 0.00 2.87 3.00 0.00 0.00 5.86 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 63 A 8.38 4.30 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.30 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 65 Q 8.10 4.09 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.14 1.71 0.00 66 E 8.36 4.97 0.00 1.84 1.83 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 2.30 2.33 0.00 67 Y 8.88 4.98 0.00 2.85 2.75 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 68 E 8.36 4.86 0.00 1.43 1.12 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 1.47 1.47 0.00 69 L 8.19 5.01 0.00 1.41 1.46 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.72 4.77 0.00 1.31 1.77 0.00 1.30 0.00 0.00 0.75 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.63 1.17 7.81 71 S 8.71 5.51 0.00 3.98 3.78 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 72 I 8.82 4.52 1.14 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 0.95 1.13 0.61 0.00 0.00 73 N 8.66 5.21 0.00 2.82 2.70 0.00 0.00 6.73 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 74 I 9.12 3.94 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.47 0.94 0.00 0.00 75 D 8.33 4.50 0.00 2.90 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 76 L 7.53 4.78 0.00 1.69 1.70 0.92 0.80 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 77 T 8.16 4.62 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 78 K 8.67 4.55 0.00 1.80 1.74 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.40 7.81 79 G 7.77 4.30 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 0.00 80 F 9.23 4.75 0.00 3.23 3.21 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 81 S 9.03 4.44 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 9.87 4.63 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 1.50 0.00 0.00 83 H 7.95 4.81 0.00 3.28 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.90 4.20 0.00 3.20 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.13 5.28 0.00 3.12 3.35 0.00 5.77 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.41 4.07 0.00 2.07 1.75 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 87 N 8.30 4.38 0.00 1.93 2.94 0.00 0.00 6.39 7.67 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 88 P 0.00 3.91 0.00 1.63 2.04 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.46 0.00 89 V 7.32 3.42 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 0.95 0.00 0.00 0.80 0.00 0.00 90 I 7.57 3.38 1.62 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.48 0.14 0.00 0.00 91 I 7.69 3.57 1.78 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.96 0.87 0.00 0.00 92 A 7.62 3.96 1.25 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 0.00 0.00 0.00 0.00 0.00 93 K 7.57 4.05 0.00 1.85 1.86 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.55 7.81 94 Y 7.88 4.71 0.00 2.89 2.97 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 95 R 7.76 4.04 0.00 1.73 2.00 0.00 3.09 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 96 Q 7.87 4.39 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 97 V 7.06 4.63 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 0.71 0.00 0.00 1.07 0.00 0.00 98 P 0.00 4.91 0.00 2.29 2.13 0.00 3.28 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 99 W 9.37 5.15 0.00 3.27 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.57 5.04 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 0.91 0.00 0.00 101 F 9.77 5.16 0.00 2.91 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.29 5.29 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.92 4.91 2.04 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.06 1.00 0.00 0.00 104 Y 9.30 5.06 0.00 3.12 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.40 4.85 0.00 1.74 1.98 0.00 3.15 0.00 0.00 3.43 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 106 G 9.51 4.16 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 0.00 107 I 8.55 4.34 1.88 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 1.37 0.81 0.88 0.00 0.00 108 A 7.82 4.54 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 0.00 109 I 8.34 3.48 1.32 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.40 0.83 0.00 0.00 110 E 8.88 4.56 0.00 1.97 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 2.28 2.26 0.00 111 A 7.48 4.73 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 0.00 112 I 8.08 5.23 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.97 0.00 0.00 113 Y 9.47 5.26 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 9.15 5.40 0.00 1.97 1.85 0.00 3.17 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 115 L 9.13 5.23 0.00 1.79 1.59 0.89 0.64 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 0.00 116 E 9.10 4.80 0.00 2.07 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 0.00 2.51 2.47 0.00 117 P 0.00 4.40 0.00 2.24 2.40 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.48 0.00 118 K 8.10 4.06 0.00 1.93 1.99 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.55 7.81 119 D 8.10 4.56 0.00 2.82 2.75 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 0.00 120 L 7.58 4.43 0.00 1.21 0.57 0.17 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.07 3.91 0.00 2.12 1.97 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 2.42 2.46 0.00 122 F 8.12 3.93 0.00 2.95 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 7.25 2.92 0.00 2.14 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 0.00 124 Y 7.00 4.48 0.00 2.95 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 0.00 125 D 8.29 4.33 0.00 2.95 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.27 3.79 0.00 1.44 1.39 0.00 1.38 0.00 0.00 0.77 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.26 7.81 127 W 8.38 4.53 0.00 3.53 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 0.00 128 E 8.67 4.14 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 129 R 8.08 4.07 0.00 2.08 2.11 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 130 K 8.28 4.09 0.00 2.03 2.14 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.52 7.81 131 W 8.53 4.08 0.00 3.54 3.22 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 0.00 0.00 0.00 132 Y 8.20 3.88 0.00 3.16 3.10 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 0.00 133 S 8.11 4.20 0.00 3.95 4.13 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 0.00 134 D 8.11 4.57 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.60 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.25 2.00 0.00 2.81 2.55 0.00 5.80 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 6.46 4.28 0.00 1.46 1.47 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.33 7.81 138 D 8.75 5.08 0.00 2.69 2.69 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 0.00 139 I 8.44 4.22 1.74 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.02 0.85 0.00 0.00 140 N 8.79 5.18 0.00 2.68 2.71 0.00 0.00 7.32 7.70 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 0.00 141 N 8.31 4.13 0.00 2.77 2.73 0.00 0.00 7.14 7.77 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 0.00 142 P 0.00 4.49 0.00 2.07 1.86 0.00 3.52 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.91 0.00 143 K 8.63 4.91 0.00 1.72 1.85 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.43 7.81 144 I 8.22 4.06 2.09 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 0.73 0.78 0.72 0.00 0.00 145 P 0.00 4.60 0.00 2.32 2.06 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 146 V 8.25 3.82 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 1.03 0.00 0.00 0.81 0.00 0.00 147 K 8.06 3.94 0.00 1.88 1.84 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.48 7.81 148 Y 7.90 3.94 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.22 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 0.37 0.00 0.00 0.19 0.00 0.00 150 M 7.50 3.03 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.09 0.00 151 E 7.68 4.13 0.00 1.69 1.70 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 2.19 2.35 0.00 152 H 7.70 4.50 0.00 2.60 2.99 0.00 5.61 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.54 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 0.00 0.00 0.00 154 T 8.74 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 1.23 0.00 0.00 155 K 8.73 3.63 0.00 1.42 1.56 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.13 0.79 7.81 156 I 8.62 4.24 1.97 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 1.28 1.01 0.91 0.00 0.00 157 Y 7.44 4.16 0.00 2.80 2.69 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