NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5044 8.3193 115.3015 57.8290 64.8342 173.5276 2 S 4.6244 7.5601 112.1873 57.7089 67.3147 175.5394 3 F 5.2902 9.3901 122.6173 58.3615 40.5561 177.4347 4 S 4.7958 5.9250 119.5629 58.1299 64.6799 175.6927 5 W 5.9021 7.4369 117.2032 55.6135 31.3307 172.8848 6 D 3.9691 8.4570 116.3611 53.6212 43.6676 174.6828 7 N 5.1268 8.9134 121.2528 53.3462 39.1303 176.1649 8 C 4.3860 9.1244 119.9375 59.4631 36.4979 174.6139 9 D 4.6540 7.6931 117.7781 52.3008 42.1359 174.6956 10 E 3.9364 8.6056 123.4998 59.2282 30.1662 178.1160 11 G 4.0015 8.2071 105.8713 47.9742 0.0000 172.9987 12 K 4.2662 6.9580 116.4674 56.9735 34.5674 175.5794 13 D 4.3096 7.6936 118.2525 51.3879 41.3889 175.8034 14 P 4.5016 0.0000 0.0000 64.1972 32.7321 175.4157 15 A 5.1442 8.1224 122.4116 50.2815 20.2762 176.3853 16 V 4.7180 8.7728 114.8282 60.2222 36.5993 175.0247 17 I 4.4718 8.8319 123.3400 60.0773 38.5209 176.2845 18 R 4.6145 8.4585 123.1327 57.6653 31.5978 176.7551 19 S 5.0446 7.3491 110.1578 57.1711 66.6131 173.2248 20 L 4.8722 8.2315 122.3105 54.3466 44.9926 174.2180 21 T 4.8299 9.0819 116.1857 59.9460 72.5549 172.8710 22 L 4.6442 7.6646 125.1186 53.8546 44.6659 174.7243 23 E 4.7602 9.0091 125.5704 53.9120 33.8202 174.2543 24 P 4.8081 0.0000 0.0000 61.9851 33.2894 175.2192 25 D 4.6530 8.3403 118.8266 52.0749 42.6330 173.1407 26 P 4.7996 0.0000 0.0000 61.9712 32.9240 176.2050 27 I 4.0359 8.8629 123.0823 61.4272 38.4922 175.3734 28 I 4.7480 8.3861 127.8178 60.2166 39.0307 174.7296 29 V 4.3042 8.5991 126.6307 60.3745 34.0679 173.7005 30 P 4.5135 0.0000 0.0000 61.6299 32.2762 175.9185 31 G 4.0432 7.4084 106.4895 45.6842 0.0000 170.6571 32 N 5.5884 8.1300 116.2866 51.4392 41.3817 175.1175 33 V 4.7094 8.9916 120.1183 60.3549 35.2209 174.4054 34 T 5.0395 9.0495 120.2961 61.9185 70.7193 173.1776 35 L 5.3537 9.0386 128.6518 53.2030 45.6317 175.2549 36 S 5.2163 8.7547 119.3449 56.9893 66.8712 173.4193 37 V 4.9326 7.7720 120.6489 61.0630 35.2835 172.6415 *39 G 4.0469 8.4521 107.1693 46.9916 0.0000 171.5518 40 S 5.3255 8.5476 111.5074 57.6827 66.7259 173.9895 41 T 5.1359 8.7423 116.4058 60.5054 69.8366 174.1039 42 S 4.7281 9.4546 122.4945 59.1503 64.1790 173.8051 43 V 4.5828 7.7039 112.4222 59.2277 35.6445 173.3191 44 P 4.6725 0.0000 0.0000 62.9200 32.4183 176.1739 45 L 4.8446 9.0672 122.9253 53.3113 43.7367 175.6864 46 S 5.0787 8.4473 117.3627 56.1760 66.8417 173.8594 47 S 4.3074 8.8168 115.9375 58.4880 62.9417 172.6826 48 P 4.5883 0.0000 0.0000 61.9281 32.4647 174.3752 49 L 4.9113 8.5412 123.3359 53.2857 44.7443 174.3867 50 K 4.9935 9.3098 128.6714 54.8034 34.5276 174.8684 51 V 4.6756 8.6372 127.2770 61.2673 33.9454 173.6810 52 D 5.1841 9.1761 128.7204 52.5566 43.1107 175.2478 53 L 5.1608 8.8743 124.0469 52.7829 45.1466 175.8324 54 V 4.3705 8.6655 123.0052 61.1431 34.1773 173.6127 55 L 5.1178 8.8508 131.3830 53.5693 44.0500 175.0447 56 E 5.2737 9.1940 124.5131 54.5410 34.2427 174.2912 57 K 4.8692 9.0820 124.0522 54.4561 35.2863 174.5826 58 E 3.6499 8.4751 128.7106 55.3685 30.2966 176.1266 59 V 3.9100 8.6666 127.0109 61.5664 33.9337 175.0992 60 A 3.7174 9.4123 132.6048 53.2815 15.5634 177.8287 61 G 3.8060 7.8162 106.6819 45.6174 0.0000 172.7697 62 L 4.6635 7.2198 119.1803 52.6299 45.3611 175.2984 63 W 4.9518 8.5616 120.4172 55.4421 30.6186 175.7254 64 I 4.4143 8.9253 126.8111 59.2270 38.5961 175.2432 65 K 4.4500 8.7113 129.2526 56.5519 33.0649 175.9336 66 I 4.0196 8.7806 128.9741 59.2753 38.2154 173.8987 67 P 4.5089 0.0000 0.0000 62.6706 32.8303 176.1164 68 C 4.7808 8.5447 122.5281 56.3556 38.5672 172.9900 69 T 4.5250 8.7851 123.4173 63.0136 71.4936 173.8998 70 D 4.4601 9.5667 127.0826 56.5390 38.0772 172.6546 71 Y 4.0546 7.8957 108.4859 57.6286 37.8092 171.0193 72 I 4.7744 7.9058 118.9786 60.8883 41.1691 173.3748 73 G 4.0386 8.7860 108.8347 45.0547 0.0000 175.0708 74 S 4.7420 8.0605 112.6807 57.5089 60.1766 173.7176 75 C 4.4929 7.8352 119.4195 56.2905 42.6437 173.8278 76 T 4.7879 7.9093 117.9643 61.8054 70.7193 173.7650 77 F 4.6993 9.0222 126.2015 55.6871 40.0837 176.4334 78 E 4.0048 8.9875 124.5140 58.6441 30.3707 177.6029 79 H 5.1080 7.8028 114.9958 54.1108 29.0809 174.2790 80 F 4.1420 8.9726 124.3379 61.6594 39.6043 175.5359 81 C 4.3344 8.3393 115.7614 60.0312 39.8021 175.6173 82 D 4.2416 7.8954 119.3097 57.1974 40.5494 178.4187 83 V 3.5432 7.3138 117.8494 65.7392 31.6591 177.7678 84 L 3.8764 7.6233 118.9118 57.7403 41.2912 180.8704 85 D 4.7452 8.0780 117.4024 54.7255 40.7663 178.2022 *87 L 4.2544 7.9284 122.5760 54.8887 43.7149 177.0697 88 I 4.5202 7.6081 118.3121 58.7397 38.8799 172.7551 89 P 4.5562 0.0000 0.0000 61.3042 32.1254 176.2178 90 T 4.0231 8.1928 110.2301 63.4809 68.7856 174.4608 91 G 4.0126 8.7592 111.4440 45.6196 0.0000 173.4301 92 E 4.2569 7.6868 120.3252 54.7758 30.3869 174.4408 93 P 4.5755 0.0000 0.0000 61.9060 32.3486 176.9541 94 C 4.4817 8.5068 118.2688 56.3316 35.8835 172.4284 95 P 4.5543 0.0000 0.0000 62.4472 31.6678 175.9997 96 E 4.4779 8.4662 120.0405 56.0355 30.0992 175.5961 97 P 4.7533 0.0000 0.0000 63.2422 31.6246 177.9335 98 L 4.1406 7.9628 121.2362 58.2581 41.5340 179.0921 99 R 3.8788 8.0585 118.0559 59.9833 29.8296 178.1264 100 T 3.7254 7.7212 113.9401 66.4247 68.4404 174.5519 101 Y 4.5716 7.3687 115.2448 57.3028 37.9841 175.6474 102 G 3.9375 8.0010 107.1488 46.7043 0.0000 174.0367 103 L 4.7621 8.0511 119.4571 52.1496 43.1997 175.3609 104 P 4.7676 0.0000 0.0000 62.7242 32.3435 174.4225 105 C 5.3080 8.5287 112.4144 55.1534 42.3896 173.3021 106 H 4.8880 7.6360 114.6392 55.2398 32.3884 173.9732 107 C 4.1785 8.3668 119.2472 56.0759 41.0203 171.6411 108 P 4.8518 0.0000 0.0000 62.3213 33.0178 175.4529 109 F 4.7962 9.0810 120.8067 55.4712 40.1849 175.8521 110 K 4.5795 8.9141 123.7654 56.5312 33.1515 176.6784 111 E 4.2339 8.9082 119.4902 56.9927 30.5341 177.6329 112 G 3.8597 7.5711 107.4034 44.8568 0.0000 171.6104 113 T 5.2129 7.8323 116.3672 61.9991 70.9256 173.8421 114 Y 4.6791 9.1944 122.9995 56.2909 40.7572 175.2433 115 S 4.8291 8.8521 119.6574 56.5456 66.3624 173.3446 116 L 4.3950 8.9139 126.7618 52.3121 44.0062 173.9195 117 P 4.5015 0.0000 0.0000 61.7514 32.2711 176.5313 118 K 4.0462 8.4461 120.4654 57.4197 32.4715 176.2315 119 S 4.6545 8.9886 119.7014 56.8124 67.5627 173.3158 120 E 4.7633 8.4869 122.2400 56.1378 30.6134 175.9037 121 F 4.9225 9.2700 120.6090 55.9213 44.1127 173.6602 122 V 4.5297 8.4532 121.2447 61.0555 32.6159 175.5815 123 V 3.6252 8.3157 128.2359 63.2675 31.6038 173.7688 124 P 4.2461 0.0000 0.0000 62.0917 32.3946 174.9027 125 D 4.2577 7.7545 118.4669 51.7517 40.9016 177.2897 126 L 4.2914 8.1594 124.6757 54.8779 43.6244 174.2215 127 E 3.6584 9.1620 125.2274 57.2322 30.0225 174.2947 128 L 3.5828 8.2442 118.7320 55.6349 38.8050 173.5304 129 P 4.1969 0.0000 0.0000 61.2202 30.4909 177.1739 130 S 3.9427 7.1640 111.6972 62.7784 63.3710 176.2289 131 W 4.3714 7.7284 124.9659 58.9066 29.0881 177.5379 132 L 4.1240 5.8729 122.1675 54.2623 39.3125 175.1062 133 T 4.7911 8.8186 113.8131 58.8451 72.2888 174.4350 134 T 4.1213 8.5945 117.7756 63.6240 68.8910 174.7873 135 G 4.0839 7.8294 111.8913 44.5812 0.0000 170.6167 136 N 5.2829 7.8289 116.8019 52.0999 40.5752 174.3978 137 Y 5.7583 9.4293 120.1868 56.6166 42.9876 174.4351 138 R 5.0931 8.9897 116.3447 55.0608 33.4409 173.7619 139 I 5.1141 9.2532 120.5471 59.3495 42.2277 173.1952 140 E 5.0620 8.9894 128.7267 54.3589 32.4447 174.2521 141 S 5.0790 9.2663 121.9800 56.4732 65.3695 172.4431 142 V 4.6848 8.7927 127.6605 60.9884 33.9516 173.7649 143 L 5.2390 8.8348 130.2957 53.4750 44.5301 175.1488 144 S 5.0438 8.8300 119.1365 57.6472 67.4153 172.9544 145 S 4.8332 8.7702 114.5270 57.0405 65.6810 174.0570 146 S 3.8238 10.1241 123.3475 59.4646 60.3800 173.5095 147 G 3.9239 8.5396 108.5513 45.0264 0.0000 174.0650 148 K 4.1826 8.2104 122.5501 54.8207 32.7481 175.7332 149 R 4.2504 8.6126 127.1289 56.8466 30.5042 175.3859 150 L 4.4840 8.9994 125.8627 56.3428 44.0269 176.5986 151 G 4.3173 7.7046 102.7284 46.0652 0.0000 173.3324 152 C 5.4686 8.1749 119.6382 55.4956 44.4006 172.5889 153 I 5.2703 8.9635 119.7297 59.0413 41.1859 174.2926 154 K 5.1125 9.1606 123.1003 54.8060 35.4187 175.2755 155 I 5.0806 9.0934 124.3813 59.4392 41.5968 174.0843 156 A 5.2427 8.9888 127.4579 50.3235 21.9023 174.9912 157 A 5.1710 9.2339 121.7558 51.1297 23.6013 175.1917 158 S 5.4340 8.9466 115.0293 56.8385 66.1759 173.2934 159 L 5.3239 9.1963 123.5287 52.8876 45.1481 175.4720 160 K 4.6651 9.2225 123.3297 54.9175 35.2154 176.3669 161 G 4.4313 9.2296 118.8422 46.3535 0.0000 174.2445 *162 I 3.6502 8.3931 117.0075 60.0615 35.4444 168.8992 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 S 8.32 4.50 0.00 3.88 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 2 S 7.56 4.62 0.00 4.63 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 3 F 9.39 5.29 0.00 3.15 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 4 S 5.93 4.80 0.00 3.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 W 7.44 5.90 0.00 3.30 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 6 D 8.46 3.97 0.00 2.48 2.37 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 7 N 8.91 5.13 0.00 2.72 2.79 0.00 0.00 7.01 7.66 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 8 C 9.12 4.39 0.00 2.79 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 9 D 7.69 4.65 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.61 3.94 0.00 1.93 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 2.37 0.00 11 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 12 K 6.96 4.27 0.00 1.80 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.37 7.81 13 D 7.69 4.31 0.00 2.70 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 14 P 0.00 4.50 0.00 2.13 2.32 0.00 3.92 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 2.24 1.82 0.00 15 A 8.12 5.14 1.22 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 0.00 0.00 16 V 8.77 4.72 2.15 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 0.77 0.00 0.00 1.03 0.00 0.00 17 I 8.83 4.47 1.52 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.51 -0.03 0.00 0.00 18 R 8.46 4.61 0.00 1.82 2.05 0.00 3.44 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 19 S 7.35 5.04 0.00 3.93 3.99 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 20 L 8.23 4.87 0.00 0.80 0.22 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 T 9.08 4.83 4.22 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 1.28 0.00 0.00 22 L 7.66 4.64 0.00 0.88 0.13 0.82 0.86 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 23 E 9.01 4.76 0.00 1.86 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 2.17 2.16 0.00 24 P 0.00 4.81 0.00 2.14 2.02 0.00 3.62 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 2.03 2.08 0.00 25 D 8.34 4.65 0.00 2.64 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 26 P 0.00 4.80 0.00 2.04 2.06 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 27 I 8.86 4.04 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.93 0.00 0.00 28 I 8.39 4.75 1.89 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 1.25 0.79 0.95 0.00 0.00 29 V 8.60 4.30 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 0.95 0.00 0.00 0.93 0.00 0.00 30 P 0.00 4.51 0.00 2.08 1.97 0.00 3.89 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 2.02 2.06 0.00 31 G 7.41 4.04 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 0.00 32 N 8.13 5.59 0.00 2.61 2.79 0.00 0.00 6.58 7.68 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 33 V 8.99 4.71 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 1.08 0.00 0.00 1.01 0.00 0.00 34 T 9.05 5.04 4.22 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 1.19 0.00 0.00 35 L 9.04 5.35 0.00 1.77 1.72 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.75 5.22 0.00 3.96 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 37 V 7.77 4.93 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 1.11 0.00 0.00 0.73 0.00 0.00 *39 G 8.45 4.05 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 0.00 0.00 0.00 40 S 8.55 5.33 0.00 4.07 3.99 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 41 T 8.74 5.14 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 1.34 0.00 0.00 42 S 9.45 4.73 0.00 3.92 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 43 V 7.70 4.58 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 0.69 0.00 0.00 0.95 0.00 0.00 44 P 0.00 4.67 0.00 1.98 2.04 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.37 0.00 45 L 9.07 4.84 0.00 1.81 1.67 0.72 0.86 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 46 S 8.45 5.08 0.00 3.84 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 47 S 8.82 4.31 0.00 3.91 3.91 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 48 P 0.00 4.59 0.00 2.27 2.22 0.00 3.67 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 2.08 1.98 0.00 49 L 8.54 4.91 0.00 1.88 1.71 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.31 4.99 0.00 1.83 1.64 0.00 1.62 0.00 0.00 1.91 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.36 7.81 51 V 8.64 4.68 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 0.85 0.00 0.00 0.12 0.00 0.00 52 D 9.18 5.18 0.00 2.52 2.49 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 53 L 8.87 5.16 0.00 1.67 1.53 1.11 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.67 4.37 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 0.89 0.00 0.00 0.88 0.00 0.00 55 L 8.85 5.12 0.00 1.71 1.34 1.03 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.19 5.27 0.00 2.04 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 2.25 2.21 0.00 57 K 9.08 4.87 0.00 1.87 1.61 0.00 2.01 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.07 0.54 7.81 58 E 8.48 3.65 0.00 1.16 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 1.69 1.47 0.00 59 V 8.67 3.91 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 0.86 0.00 0.00 0.84 0.00 0.00 60 A 9.41 3.72 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 61 G 7.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.22 4.66 0.00 1.62 1.51 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 63 W 8.56 4.95 0.00 3.17 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 64 I 8.93 4.41 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.03 0.91 0.00 0.00 65 K 8.71 4.45 0.00 1.76 1.69 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.41 7.81 66 I 8.78 4.02 1.31 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.06 -0.59 0.00 0.00 67 P 0.00 4.51 0.00 2.03 1.93 0.00 3.44 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 2.08 2.04 0.00 68 C 8.54 4.78 0.00 3.03 2.94 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 0.00 0.00 0.00 69 T 8.79 4.53 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 1.23 0.00 0.00 70 D 9.57 4.46 0.00 2.57 2.27 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 71 Y 7.90 4.05 0.00 3.53 3.35 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 72 I 7.91 4.77 2.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.06 1.26 0.00 0.00 73 G 8.79 4.04 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 0.00 74 S 8.06 4.74 0.00 3.71 3.87 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 75 C 7.84 4.49 0.00 2.58 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 0.00 0.00 0.00 0.00 76 T 7.91 4.79 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 1.23 0.00 0.00 77 F 9.02 4.70 0.00 3.25 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 78 E 8.99 4.00 0.00 1.61 1.82 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 0.00 2.26 2.35 0.00 79 H 7.80 5.11 0.00 3.21 3.35 0.00 5.63 0.00 0.00 0.00 0.00 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0.55 0.96 0.00 0.00 89 P 0.00 4.56 0.00 2.16 1.96 0.00 3.88 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 90 T 8.19 4.02 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 1.16 0.00 0.00 91 G 8.76 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 0.00 0.00 0.00 92 E 7.69 4.26 0.00 2.05 1.88 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 2.30 2.32 0.00 93 P 0.00 4.58 0.00 2.09 1.96 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 94 C 8.51 4.48 0.00 3.01 3.08 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 0.00 0.00 0.00 0.00 95 P 0.00 4.55 0.00 2.24 2.01 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 96 E 8.47 4.48 0.00 1.97 1.87 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 2.31 2.22 0.00 97 P 0.00 4.75 0.00 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0.00 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 H 7.64 4.89 0.00 2.92 3.06 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.37 4.18 0.00 2.85 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 0.00 108 P 0.00 4.85 0.00 2.09 2.04 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 109 F 9.08 4.80 0.00 3.00 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 0.00 110 K 8.91 4.58 0.00 1.83 1.88 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.57 7.81 111 E 8.91 4.23 0.00 2.14 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 0.00 2.32 2.31 0.00 112 G 7.57 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 0.00 0.00 0.00 113 T 7.83 5.21 4.21 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 1.31 0.00 0.00 114 Y 9.19 4.68 0.00 2.71 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 0.00 115 S 8.85 4.83 0.00 3.69 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 0.00 116 L 8.91 4.39 0.00 1.70 1.58 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.50 0.00 1.40 1.76 0.00 2.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.82 0.00 118 K 8.45 4.05 0.00 1.59 1.78 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.49 7.81 119 S 8.99 4.65 0.00 3.50 3.42 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 0.00 120 E 8.49 4.76 0.00 1.73 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 0.00 2.25 2.28 0.00 121 F 9.27 4.92 0.00 2.90 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 0.00 122 V 8.45 4.53 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 0.78 0.00 0.00 0.96 0.00 0.00 123 V 8.32 3.63 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 0.78 0.00 0.00 1.00 0.00 0.00 124 P 0.00 4.25 0.00 2.09 2.01 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 125 D 7.75 4.26 0.00 2.81 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 0.00 126 L 8.16 4.29 0.00 1.63 1.63 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.16 3.66 0.00 2.06 1.89 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 2.15 2.28 0.00 128 L 8.24 3.58 0.00 1.75 1.66 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.20 0.00 2.03 1.89 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 130 S 7.16 3.94 0.00 3.77 3.80 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 0.00 0.00 0.00 0.00 131 W 7.73 4.37 0.00 3.63 3.30 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 0.00 132 L 5.87 4.12 0.00 0.27 1.03 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.82 4.79 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 134 T 8.59 4.12 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 1.31 0.00 0.00 135 G 7.83 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 7.83 5.28 0.00 2.60 2.88 0.00 0.00 6.59 7.48 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 0.00 137 Y 9.43 5.76 0.00 3.09 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 0.00 138 R 8.99 5.09 0.00 1.59 1.44 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.15 0.00 139 I 9.25 5.11 1.90 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 1.10 1.45 0.93 0.00 0.00 140 E 8.99 5.06 0.00 1.96 1.67 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 2.13 2.15 0.00 141 S 9.27 5.08 0.00 3.80 3.60 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 0.00 142 V 8.79 4.68 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 0.89 0.00 0.00 0.89 0.00 0.00 143 L 8.83 5.24 0.00 1.60 1.39 0.83 0.57 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 0.00 144 S 8.83 5.04 0.00 4.00 3.88 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 0.00 145 S 8.77 4.83 0.00 3.90 3.71 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 0.00 0.00 0.00 0.00 146 S 10.12 3.82 0.00 4.02 3.90 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 0.00 147 G 8.54 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 0.00 148 K 8.21 4.18 0.00 1.75 1.84 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.37 7.81 149 R 8.61 4.25 0.00 1.78 1.83 0.00 3.47 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 150 L 9.00 4.48 0.00 1.68 1.65 0.92 0.68 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 0.00 151 G 7.70 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 0.00 0.00 0.00 0.00 152 C 8.17 5.47 0.00 2.95 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 0.00 153 I 8.96 5.27 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.02 0.96 0.00 0.00 154 K 9.16 5.11 0.00 1.62 1.61 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.33 7.81 155 I 9.09 5.08 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 1.05 0.00 0.00 156 A 8.99 5.24 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 0.00 157 A 9.23 5.17 1.49 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 0.00 0.00 158 S 8.95 5.43 0.00 3.89 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 0.00 159 L 9.20 5.32 0.00 1.79 1.60 0.55 0.89 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 0.00 160 K 9.22 4.67 0.00 1.79 1.65 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.39 7.81 161 G 9.23 4.43 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 0.00 *162 I 8.39 3.65 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 1.27 0.57 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.