NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2703 8.1927 115.4115 58.0748 64.2940 172.6508 3 V 3.8752 8.2059 122.5903 61.9696 30.9881 173.8011 4 Q 4.6653 9.1097 126.4954 55.4560 32.4733 175.1577 5 V 4.8046 7.8979 119.5553 60.8823 34.9772 174.0922 6 G 4.6198 8.9282 115.3210 44.1527 0.0000 172.4209 7 V 5.0268 9.0137 127.3586 61.4033 33.5042 174.5943 8 I 5.4770 8.2164 121.8792 58.1526 40.7444 175.8369 *10 G 4.0662 8.7034 107.5157 46.6945 0.0000 173.3866 11 S 4.7954 8.2657 112.3874 55.3869 66.3811 175.0031 12 K 3.8562 8.8766 121.1854 59.9538 31.4423 179.3943 13 S 4.3200 7.4772 113.3871 60.8435 63.2733 175.5360 14 D 4.5775 8.3316 122.2157 55.5886 40.4678 177.9456 15 W 4.5527 8.1488 129.4586 60.4015 30.7519 177.6227 16 S 4.0600 8.0864 113.1042 61.1650 62.7512 174.8026 17 T 4.1179 7.4433 117.8905 63.7933 68.1778 176.1277 *19 K 3.0796 7.9527 124.9664 55.8745 33.3315 177.6858 20 E 3.8342 7.5900 118.0468 58.9336 29.2159 178.5632 21 C 4.0230 7.7509 118.4658 62.7443 31.6947 175.0070 22 C 3.3973 7.8529 117.6310 62.9522 27.6728 175.9098 23 D 4.3503 8.1279 120.3111 57.4537 40.3796 178.9728 24 I 3.6828 7.3286 119.2902 64.1245 37.0303 178.4057 25 L 3.9172 7.8066 119.8681 57.8329 41.4154 179.1776 26 D 4.5090 8.4373 119.0941 57.7793 40.6250 178.8336 27 N 4.4471 8.0272 115.3057 55.8169 38.5806 176.4947 28 L 4.4691 7.9192 117.8693 53.6009 42.0341 176.7007 29 G 3.9491 7.7818 106.8531 46.6323 0.0000 173.6019 30 I 4.3667 7.8763 120.6121 59.2101 38.6272 176.4603 31 G 4.2273 8.9668 114.8290 45.9598 0.0000 171.8563 32 Y 5.6169 7.8956 120.6952 55.5866 41.3734 173.4481 33 E 4.9953 9.2616 117.8367 54.6326 33.1487 174.5437 34 C 5.9346 8.4930 114.6580 55.7166 32.7046 172.6720 35 E 4.6314 8.5229 121.3694 54.8811 33.1983 173.3968 36 V 4.2777 8.1744 124.8856 61.8074 32.4907 175.3815 37 V 4.2193 8.1276 127.1091 61.2728 34.6159 173.8044 38 S 4.6705 8.5733 123.3615 56.6255 63.2299 174.8229 39 A 4.0144 8.6442 131.0476 55.2810 18.4346 177.8396 40 H 4.6791 7.8790 111.1013 57.6022 29.5962 176.6435 41 R 4.2748 8.2169 117.6292 57.6640 30.7459 176.7452 42 T 4.7241 7.8596 108.0213 59.6296 68.5954 173.1421 43 P 4.1000 0.0000 0.0000 66.6277 32.3378 178.2239 44 D 4.3766 8.0888 118.6210 57.0197 41.0043 179.4026 45 K 4.2694 7.5127 118.7522 56.6822 31.6994 178.4160 *47 F 4.8130 8.2254 117.6397 57.2251 41.0103 177.0075 48 D 4.5961 8.5942 120.9379 56.9704 40.8230 177.5113 49 Y 3.8646 8.4992 120.1672 60.6708 38.6787 178.0826 50 A 4.0889 8.1680 120.9580 55.3856 18.5816 179.1014 51 E 3.9939 8.4974 117.6843 59.2742 29.6058 178.8625 52 T 4.4238 7.5774 106.8364 61.4309 69.5750 176.2241 53 A 3.7337 7.3820 125.2492 55.4743 18.3894 179.5667 54 K 4.0348 7.8980 117.2543 59.8069 32.1822 178.6207 55 E 4.0861 8.0328 116.5966 58.5028 29.5648 178.2286 56 R 4.2977 7.6878 116.4974 56.1029 30.4943 177.1660 57 G 3.9807 7.9733 107.9062 44.8657 0.0000 174.1900 58 L 4.3372 7.3870 119.3236 54.7689 42.1534 176.8495 59 K 4.5837 9.0567 120.8046 56.8922 34.6567 176.8349 60 V 4.7343 7.6516 118.4776 61.3427 35.4879 173.3968 61 I 5.1043 8.6546 127.4774 59.6119 40.2742 174.4539 62 I 4.9535 9.1204 127.7078 59.5717 39.5789 174.3365 63 A 5.1711 9.3790 130.0403 49.9654 21.4693 174.8358 64 G 4.6881 8.8065 110.2066 43.9905 0.0000 172.4774 65 A 4.7434 8.4373 123.7285 50.8613 22.8807 175.0345 66 G 4.2530 8.5669 106.1187 44.2759 0.0000 176.0910 67 G 3.9658 8.6138 108.0868 45.9777 0.0000 176.8477 68 A 4.2779 8.5317 124.7878 51.4175 16.4413 175.8122 69 A 4.4171 8.0925 122.9934 51.7165 17.9267 176.8440 70 H 4.7963 8.3117 118.2866 56.9114 30.2218 177.6737 71 L 3.8622 8.1586 121.0897 57.7435 42.2869 176.1851 72 P 4.4222 0.0000 0.0000 65.7538 31.5814 179.6432 73 G 3.8574 7.5953 104.0774 46.2127 0.0000 175.4041 *75 V 3.9350 7.9989 120.8019 62.4937 32.8805 177.3641 76 A 3.9652 8.1100 122.1888 55.0925 18.3259 179.4465 77 A 3.8025 7.8753 117.8612 54.3074 18.4594 178.2272 78 K 4.3526 7.8637 112.4581 56.1327 33.3026 175.8290 79 T 4.6395 7.2704 112.9647 60.3695 70.1614 173.6219 80 T 4.2833 8.3628 115.4245 61.9519 69.5570 175.1024 81 L 4.2292 7.7157 122.9253 53.7801 42.4597 174.8965 82 P 4.4426 0.0000 0.0000 63.1823 32.5464 174.9988 83 V 4.8969 8.5389 123.5074 61.0681 34.2999 173.7459 84 L 5.1999 9.2402 128.4034 53.1599 44.2058 175.4898 85 G 4.4314 9.5070 111.2366 44.3623 0.0000 172.2390 86 V 4.6030 8.6456 124.9026 60.3721 34.0785 172.8240 87 P 4.8801 0.0000 0.0000 62.1326 32.2248 176.0934 88 V 4.0643 8.3483 125.9707 62.0811 32.5095 175.9046 89 K 4.1089 8.5880 128.5725 55.9182 32.0929 176.5783 90 S 4.4291 8.5253 122.2259 57.6477 64.0277 175.5560 91 S 4.1393 8.6830 118.1823 61.6848 63.1369 175.8999 92 T 4.0372 7.9925 110.0558 64.1080 69.1756 175.5351 93 L 4.5627 7.7937 120.5064 53.0488 42.0585 176.2763 94 N 4.3242 8.8839 114.2304 54.5087 36.5599 175.5450 95 G 3.9734 8.4985 104.6391 46.3600 0.0000 176.4852 96 Q 3.9943 8.2510 120.7789 58.5114 28.4660 178.0955 97 D 4.3244 8.0370 119.7903 56.7507 38.9211 178.5743 98 S 4.3293 8.0338 118.0440 60.2255 62.7647 176.3594 99 L 3.9588 8.2061 123.0622 58.3454 41.7605 179.1313 100 L 3.9916 7.8629 118.7624 57.8402 41.3339 179.6473 101 S 4.2342 8.2271 114.1070 60.5906 62.7112 175.7554 102 I 4.2507 6.9991 120.3739 63.1070 38.1713 178.0206 103 V 3.8733 7.7767 119.9643 62.4219 31.6835 176.4854 104 Q 4.0825 7.2299 119.0115 54.4615 28.9606 173.6054 *106 P 4.1387 0.0000 0.0000 61.5773 32.6890 175.6125 107 A 4.1453 8.3731 122.5606 52.7313 18.7152 176.3248 108 G 3.5057 8.1840 114.7885 45.3320 0.0000 173.7548 109 I 4.4078 7.0365 121.7502 58.4755 38.9834 173.1455 110 P 4.5274 0.0000 0.0000 62.0383 32.3386 175.9790 111 V 4.5249 7.9806 119.1885 60.9771 34.3127 174.5796 112 A 4.0328 8.7651 130.8033 52.1414 19.0577 176.0174 113 T 4.8173 8.0316 119.1886 62.1600 71.4248 174.0086 114 F 4.6891 8.2224 122.8694 54.8769 42.6532 174.9668 115 A 4.1608 8.6286 121.5545 52.2498 18.7101 177.1552 116 I 4.0591 8.0736 121.1348 62.5620 37.4734 174.7805 117 G 3.6020 8.5997 116.7372 46.2775 0.0000 175.2038 *119 A 4.2206 7.9818 119.4006 51.3783 21.2874 179.6678 120 G 4.2397 8.2249 103.1065 47.0997 0.0000 175.7294 121 A 3.9056 7.9499 123.0728 54.9425 18.4212 179.7945 122 K 3.7962 7.8721 116.4042 59.8505 32.1554 179.2626 123 N 4.2689 8.2191 116.3395 55.9879 38.3027 177.2804 124 A 2.8431 7.9108 122.4902 54.6533 18.3588 179.5360 125 A 3.7835 7.4481 119.2327 55.3686 18.4748 179.9627 126 L 3.7800 7.6682 117.5047 57.7019 41.6015 179.5578 127 F 4.0494 8.5261 121.0064 60.9362 39.2692 177.0744 128 A 4.0052 8.4578 120.8226 55.0758 18.1466 179.4266 129 A 3.8846 7.9714 119.4910 55.3180 18.2456 180.0545 130 S 4.0286 7.6186 111.5489 61.3041 62.8779 176.6398 131 I 3.7578 7.3126 123.6705 64.2080 36.4565 178.1009 132 L 3.9442 8.0832 119.3699 56.8320 41.3801 179.2554 133 Q 4.2035 8.0805 118.1829 59.2728 28.1771 177.9799 134 H 4.1795 7.6606 119.7307 58.6305 29.9559 175.7733 135 T 4.3006 7.2626 106.4300 61.2745 69.2613 174.3909 136 D 4.4991 7.7600 122.3483 52.1255 43.8423 175.4677 137 I 3.7137 8.3494 128.9179 64.6669 37.2066 178.1653 138 N 4.3547 8.1823 116.7952 56.2438 38.3247 177.4878 139 I 3.6820 8.0350 120.9125 64.1203 37.1575 178.0724 140 A 3.9696 8.0074 121.6867 55.1622 18.2153 179.5706 141 K 3.8459 8.3399 117.9239 59.7147 32.2985 178.8633 142 A 4.0522 8.2544 121.2457 55.0126 18.2629 179.4390 143 L 3.9263 8.3570 119.0275 58.1318 42.1957 178.8008 144 A 4.0285 8.1764 120.9028 55.4557 18.2741 179.3109 145 E 3.9387 8.3861 117.6255 58.9884 29.6651 178.7190 146 F 4.0233 8.4494 120.9521 61.3908 39.5128 177.3829 147 R 3.9123 8.2713 117.4204 59.1377 29.8607 178.8585 148 A 3.9754 8.1301 120.6069 55.2677 18.3312 179.3602 149 E 3.8735 8.3131 118.1126 59.3039 29.2666 179.0155 150 Q 3.8775 7.9557 117.8669 59.3483 28.6316 178.6617 151 T 3.8908 7.9164 117.7293 66.5356 68.5031 176.8652 152 R 3.9164 8.1471 120.0567 59.2129 29.8536 178.8178 153 F 3.9353 8.2129 119.6452 61.2330 39.5450 177.0668 154 V 3.6790 7.6805 117.3863 65.8104 31.1618 178.0848 155 L 3.9984 7.7274 117.8224 57.5588 41.5072 178.7509 156 E 4.1973 7.9819 116.8268 57.0849 30.9577 176.5954 157 N 4.8898 7.1731 115.1586 50.8805 38.7980 172.3156 158 P 4.2929 0.0000 0.0000 64.2779 32.7039 176.8039 159 D 4.5982 7.8616 119.0224 52.1870 41.6799 173.9850 160 P 4.4444 0.0000 0.0000 62.9935 31.6272 175.7842 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 8.19 4.27 0.00 4.01 4.06 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 3 V 8.21 3.88 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 0.81 0.00 0.00 0.89 0.00 0.00 4 Q 9.11 4.67 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 5 V 7.90 4.80 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 1.04 0.00 0.00 0.97 0.00 0.00 6 G 8.93 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.01 5.03 2.29 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 1.03 0.00 0.00 0.89 0.00 0.00 8 I 8.22 5.48 1.64 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.88 0.38 0.00 0.00 *10 G 8.70 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 11 S 8.27 4.80 0.00 3.97 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 12 K 8.88 3.86 0.00 1.82 1.95 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 13 S 7.48 4.32 0.00 4.18 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 14 D 8.33 4.58 0.00 2.91 2.80 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 15 W 8.15 4.55 0.00 3.35 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 16 S 8.09 4.06 0.00 3.99 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 17 T 7.44 4.12 4.35 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 1.17 0.00 0.00 *19 K 7.95 3.08 0.00 0.79 1.03 0.00 1.35 0.00 0.00 1.56 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.90 7.81 20 E 7.59 3.83 0.00 2.02 1.85 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 2.13 2.33 0.00 21 C 7.75 4.02 0.00 2.96 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 22 C 7.85 3.40 0.00 3.08 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 23 D 8.13 4.35 0.00 2.73 2.67 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 24 I 7.33 3.68 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.61 0.00 0.00 25 L 7.81 3.92 0.00 1.52 1.70 0.55 0.82 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 26 D 8.44 4.51 0.00 2.91 2.80 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 27 N 8.03 4.45 0.00 2.86 2.93 0.00 0.00 7.11 7.38 0.00 0.00 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 L 7.92 4.47 0.00 1.58 1.66 0.72 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.78 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 30 I 7.88 4.37 1.92 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 1.17 0.79 0.96 0.00 0.00 31 G 8.97 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 0.00 0.00 0.00 0.00 32 Y 7.90 5.62 0.00 3.11 2.93 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 33 E 9.26 5.00 0.00 2.10 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 0.00 2.30 2.38 0.00 34 C 8.49 5.93 0.00 3.00 3.14 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 35 E 8.52 4.63 0.00 2.01 1.62 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 0.00 2.18 2.26 0.00 36 V 8.17 4.28 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 0.78 0.00 0.00 0.86 0.00 0.00 37 V 8.13 4.22 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 0.86 0.00 0.00 0.60 0.00 0.00 38 S 8.57 4.67 0.00 4.07 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 39 A 8.64 4.01 1.14 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 0.00 0.00 40 H 7.88 4.68 0.00 3.15 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.22 4.27 0.00 1.78 1.98 0.00 3.10 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 42 T 7.86 4.72 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 1.20 0.00 0.00 43 P 0.00 4.10 0.00 1.99 2.26 0.00 3.81 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 1.91 1.93 0.00 44 D 8.09 4.38 0.00 2.71 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 45 K 7.51 4.27 0.00 1.64 1.92 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 *47 F 8.23 4.81 0.00 3.23 3.13 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 48 D 8.59 4.60 0.00 2.92 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 49 Y 8.50 3.86 0.00 3.21 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 50 A 8.17 4.09 1.44 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 0.00 0.00 0.00 51 E 8.50 3.99 0.00 2.21 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 2.29 2.37 0.00 52 T 7.58 4.42 4.17 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 1.23 0.00 0.00 53 A 7.38 3.73 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 54 K 7.90 4.03 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.52 7.81 55 E 8.03 4.09 0.00 1.94 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 2.29 2.32 0.00 56 R 7.69 4.30 0.00 1.82 1.90 0.00 3.05 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 57 G 7.97 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 0.00 0.00 0.00 58 L 7.39 4.34 0.00 1.79 1.64 0.99 0.66 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 59 K 9.06 4.58 0.00 1.70 1.84 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.35 7.81 60 V 7.65 4.73 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 1.11 0.00 0.00 0.97 0.00 0.00 61 I 8.65 5.10 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 1.08 0.00 0.00 62 I 9.12 4.95 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 1.15 0.66 0.87 0.00 0.00 63 A 9.38 5.17 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 64 G 8.81 4.69 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 0.00 0.00 0.00 65 A 8.44 4.74 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 66 G 8.57 4.25 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 0.00 67 G 8.61 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 0.00 0.00 0.00 68 A 8.53 4.28 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 69 A 8.09 4.42 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 70 H 8.31 4.80 0.00 3.20 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.16 3.86 0.00 1.56 1.71 0.94 0.99 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 72 P 0.00 4.42 0.00 2.24 2.11 0.00 3.68 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 2.14 2.25 0.00 73 G 7.60 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 *75 V 8.00 3.93 2.32 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 1.06 0.00 0.00 1.07 0.00 0.00 76 A 8.11 3.97 1.40 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 77 A 7.88 3.80 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 78 K 7.86 4.35 0.00 1.47 1.53 0.00 1.29 0.00 0.00 0.80 0.00 0.00 2.35 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.67 0.21 7.81 79 T 7.27 4.64 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 1.35 0.00 0.00 80 T 8.36 4.28 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 1.20 0.00 0.00 81 L 7.72 4.23 0.00 1.69 1.68 0.97 0.97 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 82 P 0.00 4.44 0.00 2.23 2.29 0.00 3.82 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 2.24 2.03 0.00 83 V 8.54 4.90 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 1.05 0.00 0.00 1.06 0.00 0.00 84 L 9.24 5.20 0.00 1.65 1.71 1.03 0.90 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 85 G 9.51 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 86 V 8.65 4.60 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 1.00 0.00 0.00 0.98 0.00 0.00 87 P 0.00 4.88 0.00 2.12 1.93 0.00 3.87 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 2.17 2.08 0.00 88 V 8.35 4.06 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 0.76 0.00 0.00 1.01 0.00 0.00 89 K 8.59 4.11 0.00 1.75 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.42 7.81 90 S 8.53 4.43 0.00 4.04 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 91 S 8.68 4.14 0.00 4.00 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 92 T 7.99 4.04 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 93 L 7.79 4.56 0.00 1.70 1.67 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.88 4.32 0.00 2.89 2.89 0.00 0.00 6.92 7.31 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 95 G 8.50 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 0.00 0.00 0.00 96 Q 8.25 3.99 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 97 D 8.04 4.32 0.00 2.95 2.93 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 98 S 8.03 4.33 0.00 4.01 4.11 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 99 L 8.21 3.96 0.00 1.79 1.85 0.89 0.61 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 0.00 100 L 7.86 3.99 0.00 1.76 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.23 4.23 0.00 4.06 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 0.00 102 I 7.00 4.25 1.87 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 1.60 0.64 0.91 0.00 0.00 103 V 7.78 3.87 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 1.02 0.00 0.00 0.85 0.00 0.00 104 Q 7.23 4.08 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 *106 P 0.00 4.14 0.00 2.19 2.01 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 107 A 8.37 4.15 1.24 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 0.00 0.00 0.00 108 G 8.18 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.04 4.41 1.86 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 1.34 0.97 0.90 0.00 0.00 110 P 0.00 4.53 0.00 2.17 2.03 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 111 V 7.98 4.52 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 0.82 0.00 0.00 0.97 0.00 0.00 112 A 8.77 4.03 1.08 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 0.00 113 T 8.03 4.82 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 1.14 0.00 0.00 114 F 8.22 4.69 0.00 2.94 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 0.00 115 A 8.63 4.16 1.32 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 0.00 116 I 8.07 4.06 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 1.35 0.58 0.97 0.00 0.00 117 G 8.60 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 0.00 0.00 0.00 *119 A 7.98 4.22 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 0.00 120 G 8.22 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 0.00 0.00 0.00 0.00 121 A 7.95 3.91 1.24 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 0.00 0.00 0.00 122 K 7.87 3.80 0.00 1.91 1.81 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 123 N 8.22 4.27 0.00 2.86 2.89 0.00 0.00 6.97 7.39 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 0.00 124 A 7.91 2.84 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 0.00 125 A 7.45 3.78 1.18 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 0.00 0.00 0.00 126 L 7.67 3.78 0.00 1.76 1.61 0.85 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.53 4.05 0.00 3.05 2.93 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 0.00 128 A 8.46 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.88 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 0.00 130 S 7.62 4.03 0.00 3.86 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 0.00 131 I 7.31 3.76 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.90 0.00 0.00 132 L 8.08 3.94 0.00 1.66 1.70 0.93 0.69 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 0.00 133 Q 8.08 4.20 0.00 2.28 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 134 H 7.66 4.18 0.00 3.18 3.37 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.26 4.30 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 1.20 0.00 0.00 136 D 7.76 4.50 0.00 2.62 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 0.00 137 I 8.35 3.71 1.87 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 1.63 0.79 0.91 0.00 0.00 138 N 8.18 4.35 0.00 2.73 2.87 0.00 0.00 7.12 7.25 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 0.00 139 I 8.04 3.68 1.86 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 1.45 0.84 0.89 0.00 0.00 140 A 8.01 3.97 1.39 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 0.00 0.00 0.00 141 K 8.34 3.85 0.00 2.00 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 142 A 8.25 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.36 3.93 0.00 1.81 1.83 0.87 1.28 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 0.00 144 A 8.18 4.03 1.40 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 0.00 145 E 8.39 3.94 0.00 2.22 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 2.33 2.39 0.00 146 F 8.45 4.02 0.00 3.21 3.23 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 0.00 147 R 8.27 3.91 0.00 2.13 2.02 0.00 3.27 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.00 0.00 148 A 8.13 3.98 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 0.00 149 E 8.31 3.87 0.00 2.05 2.04 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 2.25 2.23 0.00 150 Q 7.96 3.88 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 151 T 7.92 3.89 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 152 R 8.15 3.92 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 153 F 8.21 3.94 0.00 3.16 3.23 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 0.00 154 V 7.68 3.68 2.10 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 0.98 0.00 0.00 1.06 0.00 0.00 155 L 7.73 4.00 0.00 1.77 1.68 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 156 E 7.98 4.20 0.00 1.70 1.85 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 2.27 2.37 0.00 157 N 7.17 4.89 0.00 2.20 2.42 0.00 0.00 6.98 9.22 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 0.00 158 P 0.00 4.29 0.00 2.14 2.12 0.00 3.67 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 1.92 1.89 0.00 159 D 7.86 4.60 0.00 2.61 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 0.00 160 P 0.00 4.44 0.00 2.22 2.01 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.