NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 D 4.5714 8.4645 120.3190 53.4264 40.7400 177.3679 46 K 4.2260 8.6811 119.6921 57.9400 32.1031 175.4419 47 T 4.1014 8.0310 114.4499 65.2817 67.7485 175.7786 48 T 4.0444 8.0114 114.7066 64.5665 67.3138 176.2424 49 F 4.2208 8.3525 124.9756 62.0904 39.4672 177.6791 50 R 3.7980 8.0637 122.2221 61.8401 29.0860 181.3217 51 L 4.2148 7.4132 120.3801 59.6949 41.1522 182.5873 52 L 4.2824 8.0513 120.5741 57.2511 41.5064 179.6322 53 R 3.9274 7.9099 118.9839 59.0896 29.9462 178.6046 54 G 3.6191 7.6265 105.5866 47.7803 0.0000 175.1548 55 E 4.0074 8.0963 121.6713 59.1541 29.7923 178.8024 56 S 4.2817 8.2279 113.1186 61.6543 62.4395 175.8900 57 N 4.5545 8.6358 119.3879 56.2301 38.1666 177.1583 58 L 3.9375 7.9868 121.8828 58.1989 42.2486 179.0551 59 F 3.8911 8.3802 117.6432 60.1545 38.6104 177.1604 60 Y 3.8158 7.6513 118.7582 60.7957 38.5337 177.8699 61 T 3.8452 7.6552 115.9130 66.3692 68.6233 176.0724 62 L 4.0200 7.4548 118.6996 54.8574 41.9358 176.3419 63 A 4.3805 7.0525 123.7148 51.8513 19.6421 177.8508 64 K 4.5463 8.5013 124.4523 53.1065 36.4186 173.6377 65 W 4.7171 8.9596 134.2622 55.2070 31.4081 174.3842 66 E 4.4949 8.1322 128.8525 55.9648 32.4076 176.8707 67 N 3.7872 9.2873 121.3555 54.5143 34.8177 172.2359 68 N 4.0843 8.1542 113.1586 53.5259 35.4968 176.8831 69 K 3.8479 5.9382 116.4899 53.4623 35.9281 178.0114 70 I 4.5039 7.7674 121.7485 60.9329 39.3882 175.6289 71 S 4.4295 8.6729 123.1915 58.1972 66.0330 173.8562 72 V 4.3493 8.1665 126.8610 59.9666 33.3455 171.8343 73 E 4.6875 8.0836 126.2971 54.8787 31.5471 173.5954 74 L 4.2893 7.9235 123.1802 52.1734 44.4104 171.7159 *83 P 4.5843 0.0000 0.0000 64.8264 31.4214 175.2388 84 T 5.1885 7.8148 114.9967 61.0971 73.2063 173.5518 85 M 4.8103 8.7653 120.5870 54.0399 35.8725 173.8387 86 T 5.1030 8.3321 121.3258 61.7244 71.7401 172.9646 87 L 5.2267 9.1904 125.6168 52.9516 45.5336 175.4448 88 I 5.1720 8.8186 122.4124 59.9473 40.7057 174.4385 89 Y 5.2812 9.5072 124.0016 56.3495 42.2141 174.0080 90 D 5.2497 8.9748 122.8127 52.2377 42.1256 178.0444 91 E 4.1032 8.8727 114.1234 59.0628 29.7698 175.6241 92 T 4.0420 7.9314 107.4175 63.1941 69.1380 175.2831 93 G 4.0585 8.1753 111.0064 45.6479 0.0000 174.8514 94 K 4.2979 8.4791 122.1094 54.0785 32.4335 181.0448 95 L 4.2755 8.3733 123.1455 54.1280 42.6156 176.2879 96 L 4.5603 8.3789 126.2805 55.6919 43.1476 176.8198 97 W 4.4595 7.4009 125.1327 56.7089 33.0346 172.9825 98 T 4.4112 6.9211 120.1267 59.8898 70.0265 174.1664 99 Q 3.3183 8.0175 130.8458 58.0496 29.2927 177.4711 100 R 4.5087 6.7797 121.5793 56.3194 31.1032 183.1407 101 N 4.6532 8.2234 105.4469 51.7995 39.3404 173.9518 102 I 4.2383 7.0700 123.1161 59.2801 38.9798 174.5745 103 P 4.2430 0.0000 0.0000 65.4558 31.3166 178.4433 104 W 4.2775 8.0506 116.1526 59.0173 27.6859 178.1575 105 L 3.3309 6.5963 120.6528 57.8616 41.3667 178.4826 106 I 3.7571 7.1080 120.2979 65.1811 37.0884 178.8825 107 K 4.1632 7.6853 123.0367 59.6604 31.7570 181.1303 108 S 4.6530 7.8651 114.3676 60.0211 62.9121 174.5606 109 I 3.6629 6.9752 121.5902 60.4498 36.1243 175.5202 110 Q 3.6339 6.1714 125.7307 54.5641 28.9491 176.2976 111 P 4.1732 0.0000 0.0000 65.7293 32.0315 179.0106 112 E 4.1298 7.9794 118.8035 60.7480 29.1851 183.9522 113 W 4.6296 8.1244 118.9320 59.8677 28.7724 178.4250 114 L 3.8406 7.5793 119.2403 57.8316 41.0887 179.2556 115 K 4.1742 7.8927 119.3792 56.8029 31.8987 181.1204 116 T 4.8297 7.1363 111.9736 61.4786 72.1758 173.2411 117 N 4.6432 8.7410 120.8051 53.3695 39.3942 174.8933 118 G 3.9408 7.9501 111.1437 46.9415 0.0000 172.0722 *119 F 5.2393 8.3864 119.2417 55.7726 41.3534 171.1525 120 H 4.6852 9.1063 119.9459 53.0220 33.2108 171.8752 121 E 5.2492 8.5919 119.4943 55.5046 33.2556 176.4558 122 I 4.8829 8.9210 122.0360 58.9498 39.3700 174.1578 123 E 5.0935 9.0235 126.7804 54.6970 31.1803 175.2501 124 T 4.6292 8.8739 118.1136 60.6057 71.8260 172.4241 125 N 5.3023 8.5319 119.9423 51.1767 38.6652 176.4838 126 V 3.7083 8.2840 121.2042 65.5868 31.2330 178.7364 127 D 4.3956 8.0033 121.0224 57.7132 39.5129 181.5593 128 A 4.2165 7.6405 119.7923 55.1993 18.6670 179.6303 129 T 4.0211 7.6477 114.3529 66.8742 68.2710 177.2324 130 S 4.1475 7.8672 116.2816 61.4997 62.9669 175.9158 131 T 4.1949 7.5823 113.8986 63.4132 67.2813 175.9726 132 L 4.2070 7.4782 121.7732 57.5310 42.4397 176.9708 133 L 4.3862 6.7355 116.6080 53.2333 42.7263 176.3362 134 S 4.2491 8.7109 117.2749 59.1865 62.8616 174.9676 135 E 4.1079 9.1139 122.7127 59.4243 29.9401 179.9411 136 D 5.0769 7.6718 116.4639 52.1785 40.1116 177.3736 137 H 4.4822 7.7320 121.7805 55.7903 31.3615 175.2915 138 S 4.0772 8.8108 119.0400 61.7397 62.1853 175.2803 139 A 4.5066 8.0845 120.2537 52.4941 18.6513 178.9390 140 Q 4.1357 8.1064 121.7588 60.1974 28.1443 179.2422 141 E 4.1024 8.3200 121.4751 61.3872 29.6621 182.6078 142 K 4.2563 7.9494 123.2574 59.9768 32.0831 182.2627 143 L 4.3818 8.1521 122.4850 57.4764 41.5357 180.2842 144 K 4.1643 8.4137 126.8497 60.1502 31.4850 184.7545 145 E 4.2809 8.0842 120.7196 61.9005 29.7137 183.1503 146 V 3.8965 7.6390 120.5946 65.4407 31.3038 180.4857 147 R 4.2711 7.8831 117.3657 59.7800 29.7689 178.4202 148 E 4.0888 8.0495 117.2289 58.7360 29.3940 178.5412 149 D 4.7515 7.5952 117.8434 55.3504 41.6364 176.1632 150 D 4.6055 8.0631 124.1531 51.8673 42.5429 174.9823 151 D 4.5097 8.8160 126.5258 55.1753 39.1892 177.2293 152 D 4.7501 7.6394 116.6630 53.3098 41.5549 175.8147 153 A 4.3171 7.5442 118.7515 51.2945 19.7695 177.0485 154 E 4.6160 8.6386 120.7439 55.1340 30.7765 175.0737 155 M 4.8455 9.2208 127.4676 54.1748 34.7638 175.1506 156 T 5.1952 9.0019 116.1859 60.7278 71.0274 172.1420 157 H 5.2363 9.4536 125.4292 54.1146 32.2601 173.6483 158 S 4.9312 8.6265 117.8235 58.2527 64.7696 173.2579 159 V 5.0727 8.7873 121.7458 61.1606 35.2337 173.8750 160 A 5.1513 8.9360 128.7742 50.2159 21.8759 174.9115 161 V 4.7968 8.7092 123.0975 61.7375 34.1564 174.5334 162 N 5.3641 8.8514 122.6504 52.1309 43.4837 173.2522 163 I 4.8611 8.5496 124.1686 59.7506 39.7776 174.7874 164 Y 4.2954 9.2763 124.8640 55.3142 39.7282 173.4839 165 P 4.5283 0.0000 0.0000 62.7367 32.1541 176.2685 166 A 4.2790 8.5541 124.5369 53.0152 18.9869 176.4991 167 T 4.1678 8.4412 111.8322 62.8855 73.0832 174.7519 168 A 3.9420 9.2113 130.0862 56.3723 18.1469 179.9909 169 R 4.0766 7.9260 112.2545 58.8520 29.9474 178.0183 170 M 4.5462 7.6543 114.5130 52.1238 34.4844 172.8745 171 P 4.7261 0.0000 0.0000 61.4395 33.2141 175.1851 172 Q 4.6478 8.3291 119.9393 56.3618 29.2333 175.9409 173 L 5.0712 8.8417 125.6584 53.3080 45.0655 175.2821 174 T 5.1815 8.6542 119.7964 61.9257 71.4146 173.1676 175 I 5.1425 9.5524 127.7263 59.5978 40.3394 174.6280 176 V 4.9741 9.1890 127.7857 61.0839 34.4692 174.5437 177 V 4.8462 8.6465 126.7084 61.3490 34.7878 173.9089 178 V 4.7929 8.5488 128.6947 61.3105 33.3734 174.2285 179 D 4.8990 8.7810 128.8941 54.5102 41.0654 176.0686 180 T 4.5096 8.8399 116.7414 62.5423 69.8386 174.6596 181 I 4.2962 7.5091 117.4033 58.4161 38.8303 174.0616 182 P 4.3422 0.0000 0.0000 61.9615 31.8800 177.1872 183 I 3.8747 8.1820 112.6806 63.1239 37.5905 177.1582 184 E 4.1562 8.1055 119.6470 58.1678 29.5147 177.0196 185 L 4.6598 7.6335 121.1090 54.9970 42.2294 177.2902 186 K 4.2309 8.0271 125.8333 54.7009 32.3508 178.7253 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 45 D 8.46 4.57 0.00 2.81 2.19 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 46 K 8.68 4.23 0.00 1.86 1.83 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.12 7.81 47 T 8.03 4.10 4.27 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 1.26 0.00 0.00 48 T 8.01 4.04 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 1.30 0.00 0.00 49 F 8.35 4.22 0.00 3.17 3.28 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 50 R 8.06 3.80 0.00 1.85 1.94 0.00 3.31 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 51 L 7.41 4.21 0.00 1.69 1.69 0.92 0.54 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 52 L 8.05 4.28 0.00 1.66 1.76 0.97 1.07 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 53 R 7.91 3.93 0.00 1.28 1.30 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.48 0.00 54 G 7.63 3.62 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 55 E 8.10 4.01 0.00 2.35 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 0.00 2.45 2.65 0.00 56 S 8.23 4.28 0.00 4.14 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 57 N 8.64 4.55 0.00 3.08 2.96 0.00 0.00 6.66 7.04 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 58 L 7.99 3.94 0.00 2.04 1.78 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.38 3.89 0.00 3.23 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 60 Y 7.65 3.82 0.00 2.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.66 3.85 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 1.14 0.00 0.00 62 L 7.45 4.02 0.00 1.33 1.43 0.43 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.05 4.38 1.07 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 64 K 8.50 4.55 0.00 1.35 1.61 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.22 7.81 65 W 8.96 4.72 0.00 3.33 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 66 E 8.13 4.49 0.00 1.82 1.68 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 2.19 2.31 0.00 67 N 9.29 3.79 0.00 2.90 2.75 0.00 0.00 6.72 7.99 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 68 N 8.15 4.08 0.00 2.88 2.77 0.00 0.00 6.59 7.44 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 69 K 5.94 3.85 0.00 1.67 1.63 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.25 7.81 70 I 7.77 4.50 2.14 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 1.36 1.37 1.01 0.00 0.00 71 S 8.67 4.43 0.00 3.85 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 72 V 8.17 4.35 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 0.73 0.00 0.00 0.93 0.00 0.00 73 E 8.08 4.69 0.00 1.64 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 2.11 0.00 74 L 7.92 4.29 0.00 1.60 1.43 0.92 0.88 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 *83 P 0.00 4.58 0.00 2.18 2.37 0.00 3.65 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 2.01 2.03 0.00 84 T 7.81 5.19 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 85 M 8.77 4.81 0.00 1.97 1.82 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 2.33 2.50 0.00 86 T 8.33 5.10 3.43 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 0.99 0.00 0.00 87 L 9.19 5.23 0.00 1.65 1.25 0.98 0.47 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 88 I 8.82 5.17 2.06 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.01 1.03 0.00 0.00 89 Y 9.51 5.28 0.00 2.93 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 90 D 8.97 5.25 0.00 2.77 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 91 E 8.87 4.10 0.00 2.01 1.91 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 2.23 1.87 0.00 92 T 7.93 4.04 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 1.25 0.00 0.00 93 G 8.18 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 0.00 0.00 0.00 94 K 8.48 4.30 0.00 1.72 1.70 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.24 7.81 95 L 8.37 4.28 0.00 1.34 1.49 0.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.38 4.56 0.00 1.67 1.84 1.20 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 97 W 7.40 4.46 0.00 3.32 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 T 6.92 4.41 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 0.87 0.00 0.00 99 Q 8.02 3.32 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.39 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 100 R 6.78 4.51 0.00 2.01 1.48 0.00 3.36 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 101 N 8.22 4.65 0.00 2.69 2.61 0.00 0.00 6.42 7.72 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 0.00 102 I 7.07 4.24 1.44 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.65 0.26 0.00 0.00 103 P 0.00 4.24 0.00 2.29 2.29 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 104 W 8.05 4.28 0.00 3.57 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 6.60 3.33 0.00 0.60 1.20 0.56 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.11 3.76 1.93 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 1.25 0.54 0.88 0.00 0.00 107 K 7.69 4.16 0.00 1.86 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.31 7.81 108 S 7.87 4.65 0.00 4.17 4.41 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 0.00 109 I 6.98 3.66 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.89 0.00 0.00 110 Q 6.17 3.63 0.00 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.91 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 111 P 0.00 4.17 0.00 2.13 2.21 0.00 3.45 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 1.96 1.86 0.00 112 E 7.98 4.13 0.00 2.00 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 2.31 1.97 0.00 113 W 8.12 4.63 0.00 3.33 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 0.00 114 L 7.58 3.84 0.00 1.68 1.62 0.21 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.89 4.17 0.00 1.80 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.28 7.81 116 T 7.14 4.83 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 117 N 8.74 4.64 0.00 2.57 2.73 0.00 0.00 6.77 7.65 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 0.00 118 G 7.95 3.94 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 0.00 0.00 0.00 *119 F 8.39 5.24 0.00 2.02 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 0.00 0.00 0.00 120 H 9.11 4.69 0.00 1.99 1.78 0.00 5.72 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.59 5.25 0.00 1.82 1.86 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 2.21 2.25 0.00 122 I 8.92 4.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.91 0.00 0.00 123 E 9.02 5.09 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 124 T 8.87 4.63 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 0.80 0.00 0.00 125 N 8.53 5.30 0.00 2.85 2.83 0.00 0.00 6.49 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 0.00 126 V 8.28 3.71 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 0.74 0.00 0.00 0.92 0.00 0.00 127 D 8.00 4.40 0.00 2.71 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 0.00 128 A 7.64 4.22 0.50 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 0.00 129 T 7.65 4.02 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 1.34 0.00 0.00 130 S 7.87 4.15 0.00 4.08 3.94 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 0.00 131 T 7.58 4.19 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 132 L 7.48 4.21 0.00 2.09 1.92 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 133 L 6.74 4.39 0.00 1.98 1.44 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.71 4.25 0.00 3.89 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 0.00 135 E 9.11 4.11 0.00 2.03 1.86 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 2.23 1.88 0.00 136 D 7.67 5.08 0.00 2.66 2.50 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 0.00 137 H 7.73 4.48 0.00 3.43 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.81 4.08 0.00 3.87 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 0.00 139 A 8.08 4.51 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 0.00 140 Q 8.11 4.14 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 141 E 8.32 4.10 0.00 1.97 1.96 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 2.31 1.94 0.00 142 K 7.95 4.26 0.00 1.76 1.84 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.10 7.81 143 L 8.15 4.38 0.00 1.72 1.75 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.41 4.16 0.00 1.76 1.81 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 145 E 8.08 4.28 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 146 V 7.64 3.90 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 0.72 0.00 0.00 0.93 0.00 0.00 147 R 7.88 4.27 0.00 2.10 1.94 0.00 3.05 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 148 E 8.05 4.09 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 2.34 2.39 0.00 149 D 7.60 4.75 0.00 2.62 2.81 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 0.00 150 D 8.06 4.61 0.00 2.70 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 0.00 151 D 8.82 4.51 0.00 2.78 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 0.00 152 D 7.64 4.75 0.00 2.61 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 0.00 153 A 7.54 4.32 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 0.00 154 E 8.64 4.62 0.00 1.98 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 2.23 2.32 0.00 155 M 9.22 4.85 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 156 T 9.00 5.20 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 1.34 0.00 0.00 157 H 9.45 5.24 0.00 3.17 3.39 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 0.00 158 S 8.63 4.93 0.00 3.81 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 0.00 159 V 8.79 5.07 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 1.14 0.00 0.00 1.10 0.00 0.00 160 A 8.94 5.15 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 0.00 161 V 8.71 4.80 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 1.09 0.00 0.00 1.05 0.00 0.00 162 N 8.85 5.36 0.00 2.79 2.58 0.00 0.00 6.76 8.08 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 0.00 163 I 8.55 4.86 1.79 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 1.25 0.71 0.91 0.00 0.00 164 Y 9.28 4.30 0.00 2.76 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.53 0.00 1.92 1.99 0.00 3.60 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 1.99 2.07 0.00 166 A 8.55 4.28 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 0.00 167 T 8.44 4.17 4.40 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 1.28 0.00 0.00 168 A 9.21 3.94 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 0.00 169 R 7.93 4.08 0.00 1.84 1.84 0.00 3.21 0.00 0.00 3.28 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 170 M 7.65 4.55 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 171 P 0.00 4.73 0.00 1.80 1.74 0.00 2.69 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.62 0.00 172 Q 8.33 4.65 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 173 L 8.84 5.07 0.00 1.87 1.72 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 174 T 8.65 5.18 4.40 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 1.31 0.00 0.00 175 I 9.55 5.14 2.24 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.43 1.04 0.00 0.00 176 V 9.19 4.97 2.39 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 0.99 0.00 0.00 1.05 0.00 0.00 177 V 8.65 4.85 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 0.94 0.00 0.00 1.04 0.00 0.00 178 V 8.55 4.79 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 0.92 0.00 0.00 0.95 0.00 0.00 179 D 8.78 4.90 0.00 2.80 2.62 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 0.00 180 T 8.84 4.51 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 1.29 0.00 0.00 181 I 7.51 4.30 1.88 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 1.38 0.69 0.94 0.00 0.00 182 P 0.00 4.34 0.00 2.35 2.03 0.00 3.68 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 2.05 1.95 0.00 183 I 8.18 3.87 1.87 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 1.31 0.47 0.96 0.00 0.00 184 E 8.11 4.16 0.00 1.96 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 2.32 2.39 0.00 185 L 7.63 4.66 0.00 1.57 1.66 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.03 4.23 0.00 1.74 1.53 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.