NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 N 4.5979 8.4249 118.1268 53.0266 39.3109 172.6590 17 K 4.2929 7.7365 118.5796 54.3948 33.6821 173.7518 18 I 5.0030 8.4045 125.6502 59.4311 40.4019 174.5728 19 C 5.0938 9.4538 126.7695 57.6563 35.1464 172.5626 20 Q 5.2503 8.6789 121.6271 54.6992 31.6612 173.8704 21 F 5.1504 8.6104 114.8552 55.2377 42.1675 173.0312 22 K 4.8431 10.3417 123.5342 55.6535 33.5646 175.1073 23 L 5.5666 9.3842 129.5941 53.2074 45.4264 175.1735 24 V 5.0869 8.8970 125.0953 59.9644 34.1768 174.2778 25 L 5.0359 9.0073 124.1002 53.1699 43.7435 175.3299 26 L 4.2720 9.1254 124.1452 51.7267 44.8127 176.3523 27 G 4.1065 7.0279 110.6967 45.9286 0.0000 171.6172 28 E 4.6063 8.1777 120.7459 55.2294 30.5192 176.0297 29 S 4.2022 8.6914 118.1305 60.1501 63.2404 174.1976 30 A 3.8246 8.6430 124.7531 53.4811 15.7926 178.7863 31 V 3.8556 7.4574 111.1983 63.9373 32.2004 177.5753 32 G 4.0253 8.4164 108.6073 45.5830 0.0000 175.4095 33 K 3.8263 8.4607 120.5257 59.5542 31.8874 179.0050 34 S 4.3601 7.9259 115.7221 61.3768 62.6361 176.9458 35 S 4.1329 7.9810 115.9310 61.1651 62.7560 175.8716 36 L 4.1747 8.5007 123.8357 58.3708 41.7634 179.6082 37 V 3.7149 7.9830 118.7675 64.8032 31.4489 178.1232 38 L 3.9757 8.0584 118.4790 56.5973 41.4525 178.6462 39 R 4.1797 7.4215 117.9550 58.0002 30.2539 177.5465 40 F 4.1906 7.7491 119.4587 59.7478 39.9274 176.0399 41 V 3.5643 7.1072 116.8634 62.1665 32.0270 174.9636 42 K 4.3594 8.4220 124.2297 55.6028 35.2760 178.2864 43 G 2.6258 9.0068 111.6313 45.1028 0.0000 174.0618 44 Q 3.6420 7.8429 112.1243 56.2099 25.9609 173.7607 45 F 4.5838 7.7941 117.4280 60.0149 40.5167 177.5453 46 H 4.9179 7.9854 115.7513 54.2576 28.4360 174.5381 47 E 4.5064 7.3757 117.5758 55.7494 33.9114 175.3335 *51 S 4.7230 8.4725 117.3560 58.9205 64.3059 172.9796 52 T 4.9285 8.2167 117.4244 60.1191 70.9251 172.2044 53 I 3.7809 8.2829 122.3055 62.5495 37.8979 176.0804 54 G 4.0053 9.6131 113.3295 44.9216 0.0000 172.4411 55 A 4.7931 7.3708 117.0748 51.1150 23.0435 175.1886 56 A 4.7195 8.8527 123.3249 50.5406 21.5397 175.7886 57 F 4.2489 8.6677 123.7512 56.4106 40.7270 175.0431 58 L 4.4887 7.6169 124.9950 53.1852 46.2022 175.1941 59 T 4.7975 7.6654 113.4574 60.8509 70.7170 172.8081 60 Q 4.2563 8.7638 128.3251 54.9346 32.4017 173.3888 61 T 4.9807 8.5016 123.5536 62.8184 70.0402 174.4735 62 V 4.6149 8.9476 118.6771 59.9063 36.7836 173.3624 63 C 5.2491 8.6841 120.5602 57.8296 34.1649 173.1748 64 L 4.6096 8.4740 126.9651 54.4998 44.1608 175.4402 65 D 4.7801 9.2722 130.5226 53.3179 38.9966 174.5226 66 D 5.2101 7.0174 121.3361 54.1415 43.4210 175.0762 67 T 4.7793 7.4091 113.3385 60.1378 70.2805 173.1612 68 T 4.5781 8.8857 126.2378 63.5332 69.7911 173.5425 69 V 4.8994 8.9929 127.2960 60.9957 34.4342 174.0392 70 K 4.8950 9.1186 130.6468 54.8747 33.8622 175.1742 71 F 3.9397 9.4935 128.1086 57.1058 40.3803 174.4770 72 E 4.5779 8.5781 123.8392 54.7197 31.5592 174.9734 73 I 4.8626 8.0736 126.1686 59.1735 40.3898 174.6550 74 W 4.9519 9.2019 127.8794 55.3714 30.4292 175.1223 75 D 5.0068 9.0188 127.2382 52.7422 40.8875 175.8203 76 T 4.2290 8.0874 115.2063 60.9144 69.7780 174.4418 77 A 4.1033 8.4016 125.2304 52.5221 18.6326 178.3333 78 G 3.7484 8.9282 110.0734 48.3391 0.0000 174.8497 79 Q 3.9966 8.3908 119.8562 56.1531 29.2484 177.4018 80 E 3.0834 9.1139 123.8494 59.2278 29.1309 179.0724 81 R 3.8841 7.7457 114.5630 58.5367 29.7952 177.1824 82 Y 4.8110 7.9241 116.0627 58.4402 38.3202 177.0335 83 H 4.8169 8.3011 119.6790 58.5652 28.6289 176.8486 84 S 4.5990 8.1021 112.7364 59.1294 63.3333 174.5599 85 L 4.2734 7.9034 120.5396 55.7500 42.3418 177.6400 86 A 4.4526 8.1498 122.1427 54.8389 19.0226 177.8282 87 P 2.9700 0.0000 0.0000 61.8236 30.0438 177.4142 *89 Y 4.4786 7.7253 115.4319 57.4264 40.2514 175.9681 90 Y 4.8335 7.1518 115.8628 56.7197 39.5675 177.7513 91 R 4.0043 7.8873 121.1175 58.6923 30.1696 177.0853 92 G 4.0417 7.9454 103.2025 44.8578 0.0000 173.1540 93 A 4.3800 7.7554 123.0165 52.2696 19.1020 178.0427 94 Q 4.5250 9.0483 119.0831 57.1749 30.2353 175.3731 95 A 5.1733 7.7704 118.6817 51.2285 22.6940 174.8883 96 A 5.2341 9.0688 120.3516 50.5022 23.5307 175.5375 97 I 4.7564 8.6493 121.0868 59.4734 39.8407 175.1413 98 V 4.3142 8.8766 129.2160 62.2267 32.5661 174.8020 99 V 4.9500 8.6875 128.9034 61.2931 33.5343 173.9868 100 Y 5.0858 8.5174 124.5629 55.3322 42.2271 173.1357 101 D 5.1649 8.8215 118.7968 52.8673 42.7502 177.1992 102 I 4.1553 8.7322 119.2985 63.3610 38.1840 177.2386 103 T 4.6983 9.1142 110.5945 60.7096 68.6888 174.4756 104 N 4.8443 7.9915 121.6755 51.0169 40.1650 174.3096 105 E 4.0250 8.8336 125.2636 59.3728 29.6029 178.4253 106 E 3.9055 8.3101 119.7233 58.9980 29.6043 178.5839 107 S 4.2416 8.9040 115.6755 61.9386 62.8010 176.6004 108 F 3.8476 7.7259 121.2095 60.9630 39.3132 176.5494 109 A 3.8048 8.1229 120.7083 55.4118 18.1549 179.8734 110 R 3.7856 8.2514 115.9908 59.2412 30.1614 179.1042 111 A 4.4056 8.3699 120.7393 55.3461 18.2616 179.8560 112 K 4.5369 7.4996 118.1829 58.9600 31.9758 179.3322 113 N 4.3007 8.3424 117.4490 55.7650 38.4370 177.2698 114 W 4.3444 8.0747 119.9645 59.9798 29.0844 178.5411 115 V 3.6366 8.0394 117.8830 65.8619 30.9998 177.9724 116 K 4.0105 7.9902 118.2646 59.5678 31.9189 178.5556 117 E 3.8579 8.5205 119.5835 59.3994 29.4987 178.5721 118 L 3.5729 7.9344 118.7923 58.1857 41.5462 179.7530 119 Q 4.0598 8.0883 116.3023 58.9411 28.6392 178.8331 120 R 4.1964 7.8836 118.2393 57.9778 30.4863 177.3226 121 Q 4.5171 8.4933 114.6442 55.4153 30.3151 175.0517 122 A 4.8634 8.0230 120.9916 49.5161 21.6470 176.1697 123 S 4.1063 8.6639 113.1022 58.5621 62.4483 173.4388 124 P 4.4812 0.0000 0.0000 64.4678 31.3091 176.3475 125 N 4.7729 7.7036 115.4092 52.9577 38.9145 174.5923 126 I 3.9996 7.4900 120.5035 61.0313 38.8316 175.5305 127 V 3.9835 8.7519 130.1305 62.4116 32.6407 174.4677 128 I 4.8598 8.3826 129.0785 59.6861 39.2384 174.6279 129 A 5.3169 9.0823 128.9514 49.9503 22.4888 174.5361 130 L 5.2478 8.5457 121.9105 53.3290 45.3938 175.2649 131 S 4.3588 9.3075 121.4244 56.1454 64.6290 173.1595 132 G 3.5502 8.7063 115.6754 45.5338 0.0000 170.6512 133 N 5.3304 8.3738 125.2017 50.4128 42.7643 174.5284 134 K 3.9408 8.8517 114.7132 56.5888 29.5290 177.9653 135 A 4.1966 8.0002 125.1402 55.1655 18.0340 180.5266 136 D 4.4694 8.1177 114.6707 55.6005 39.9456 176.8100 137 L 4.4284 8.1060 120.8745 54.3578 42.4711 178.4210 138 A 4.0718 7.7271 124.8132 55.2010 18.4438 180.0798 139 N 4.7122 8.0912 109.8500 53.6924 37.0453 175.8918 140 K 4.5880 8.2864 116.1177 56.7984 34.5293 175.7981 141 R 4.1576 7.8126 118.8835 57.1091 30.1926 176.1576 142 A 4.5311 9.2752 124.8774 51.0929 20.6059 175.9926 143 V 3.9462 7.5898 114.9119 60.4511 32.0069 175.0774 144 D 4.3911 8.4035 127.0011 54.4237 42.2639 175.5730 145 F 4.1862 9.1235 129.0136 62.0596 39.3786 177.1231 146 Q 3.9673 8.4236 116.6245 59.0011 28.2994 178.3198 147 E 3.8693 8.7410 120.3319 59.4446 29.5381 178.9723 148 A 3.9494 7.7408 120.3769 55.0488 18.5601 179.2487 149 Q 3.6619 8.1254 118.3412 59.3297 28.8859 178.8318 150 S 4.1984 8.5150 117.7600 61.1576 62.9383 175.6734 151 Y 4.3976 7.8583 121.9430 60.5157 38.0239 178.4413 152 A 3.7684 8.0737 121.2528 55.1736 18.4504 179.4257 153 D 4.4459 7.8207 116.9094 57.3945 40.6835 178.4085 154 D 4.4371 8.2498 119.8213 57.4678 40.7525 178.1982 155 N 4.5089 7.7177 112.8181 52.1506 40.0290 174.9160 156 S 3.6496 7.3472 115.2529 59.5103 60.5036 171.5252 157 L 4.7596 8.8454 119.5707 53.0950 44.5993 179.1435 158 L 4.3268 8.5280 125.1297 54.4850 41.4149 175.9800 159 F 5.9751 8.2812 127.3778 56.1458 41.6999 173.4100 *161 E 4.3530 8.4434 120.3545 56.3346 30.9471 174.3001 162 T 4.9729 8.7001 114.4467 60.4376 73.2261 172.9301 163 S 4.3007 8.3576 115.8084 56.7982 64.6849 174.2524 164 A 4.2371 8.0547 127.3722 53.3325 18.6213 177.9250 165 K 4.1945 8.0213 117.0136 58.5995 32.7274 177.7108 166 T 4.0965 7.5894 106.0947 61.4357 69.6899 171.2020 167 S 3.9718 8.2608 127.6065 58.3593 63.3910 170.3727 *169 N 5.4274 8.4512 120.2686 52.8422 40.2208 176.4144 170 V 3.6338 7.7916 119.0793 66.4373 31.4226 177.8873 171 N 4.6653 8.2054 114.4125 56.2057 38.7346 176.8127 172 E 4.1493 8.2051 119.6535 59.5252 29.5813 179.1741 173 I 3.6518 7.6732 118.3986 63.9670 38.0660 178.3091 174 F 4.1087 7.3764 114.1212 58.5259 38.1780 176.7058 *176 A 4.2996 8.0310 126.1991 52.4480 20.4807 179.9927 177 I 3.5337 8.1581 116.4579 64.5822 37.3386 178.2389 178 A 3.3158 8.0238 121.4591 55.2067 17.8927 179.5934 179 K 3.9014 7.3825 116.9714 59.4993 32.3487 178.9240 180 K 4.0491 7.8936 117.5356 57.4781 32.2668 177.1396 181 L 4.3684 6.7486 118.5279 52.4481 42.9415 174.9644 182 P 4.3661 0.0000 0.0000 63.1337 31.1782 176.1599 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 16 N 8.42 4.60 0.00 2.74 2.87 0.00 0.00 6.86 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.74 4.29 0.00 1.76 1.77 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 18 I 8.40 5.00 1.89 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 1.24 0.51 0.99 0.00 0.00 19 C 9.45 5.09 0.00 2.92 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 20 Q 8.68 5.25 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 21 F 8.61 5.15 0.00 3.19 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 22 K 10.34 4.84 0.00 1.91 1.99 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.24 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.68 1.71 7.81 23 L 9.38 5.57 0.00 1.69 1.49 1.29 0.79 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 24 V 8.90 5.09 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 0.99 0.00 0.00 1.12 0.00 0.00 25 L 9.01 5.04 0.00 1.57 1.58 1.00 0.45 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 26 L 9.13 4.27 0.00 1.11 0.14 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.03 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 0.00 0.00 0.00 28 E 8.18 4.61 0.00 2.27 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 2.52 2.55 0.00 29 S 8.69 4.20 0.00 3.98 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 30 A 8.64 3.82 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 31 V 7.46 3.86 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 0.84 0.00 0.00 0.99 0.00 0.00 32 G 8.42 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 0.00 0.00 0.00 33 K 8.46 3.83 0.00 1.81 2.00 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.54 7.81 34 S 7.93 4.36 0.00 3.88 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 35 S 7.98 4.13 0.00 3.86 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 36 L 8.50 4.17 0.00 1.86 2.00 0.98 0.82 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 37 V 7.98 3.71 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.84 0.00 0.00 38 L 8.06 3.98 0.00 1.70 1.80 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.42 4.18 0.00 2.07 2.11 0.00 3.31 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 40 F 7.75 4.19 0.00 2.49 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 41 V 7.11 3.56 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 0.60 0.00 0.00 0.73 0.00 0.00 42 K 8.42 4.36 0.00 1.48 1.46 0.00 1.76 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.99 1.25 7.81 43 G 9.01 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.84 3.64 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.95 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 45 F 7.79 4.58 0.00 3.12 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 46 H 7.99 4.92 0.00 3.30 3.39 0.00 5.51 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.38 4.51 0.00 1.93 1.78 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 2.18 2.12 0.00 *51 S 8.47 4.72 0.00 3.96 3.96 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 52 T 8.22 4.93 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 53 I 8.28 3.78 1.83 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 1.33 0.55 0.67 0.00 0.00 54 G 9.61 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 55 A 7.37 4.79 0.43 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 56 A 8.85 4.72 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 57 F 8.67 4.25 0.00 1.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 4.49 0.00 1.20 1.14 0.74 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.67 4.80 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 1.14 0.00 0.00 60 Q 8.76 4.26 0.00 1.88 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 1.21 1.94 0.00 61 T 8.50 4.98 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 1.23 0.00 0.00 62 V 8.95 4.61 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 0.65 0.00 0.00 1.31 0.00 0.00 63 C 8.68 5.25 0.00 2.95 2.79 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 64 L 8.47 4.61 0.00 1.84 1.53 0.99 1.29 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 65 D 9.27 4.78 0.00 2.89 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 66 D 7.02 5.21 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.41 4.78 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 1.27 0.00 0.00 68 T 8.89 4.58 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 1.29 0.00 0.00 69 V 8.99 4.90 2.28 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 1.05 0.00 0.00 1.03 0.00 0.00 70 K 9.12 4.90 0.00 1.87 1.69 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.42 7.81 71 F 9.49 3.94 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.58 4.58 0.00 1.99 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 0.00 2.31 2.27 0.00 73 I 8.07 4.86 1.59 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.95 0.00 0.00 74 W 9.20 4.95 0.00 3.34 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 75 D 9.02 5.01 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.23 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 1.22 0.00 0.00 77 A 8.40 4.10 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 78 G 8.93 3.75 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 0.00 0.00 0.00 79 Q 8.39 4.00 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.07 2.11 0.00 *89 Y 7.73 4.48 0.00 3.13 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 90 Y 7.15 4.83 0.00 3.19 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 91 R 7.89 4.00 0.00 1.75 1.90 0.00 3.29 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 92 G 7.95 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 93 A 7.76 4.38 1.56 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 94 Q 9.05 4.53 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 95 A 7.77 5.17 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 96 A 9.07 5.23 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 97 I 8.65 4.76 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 W 8.07 4.34 0.00 3.63 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.04 3.64 2.38 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 1.18 0.00 0.00 1.16 0.00 0.00 116 K 7.99 4.01 0.00 2.03 1.83 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.76 7.81 117 E 8.52 3.86 0.00 2.01 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 0.00 2.37 2.41 0.00 118 L 7.93 3.57 0.00 1.85 1.61 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.09 4.06 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 120 R 7.88 4.20 0.00 1.93 1.99 0.00 3.11 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 121 Q 8.49 4.52 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.36 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0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 147 E 8.74 3.87 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 148 A 7.74 3.95 0.67 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 0.00 0.00 149 Q 8.13 3.66 0.00 1.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 150 S 8.51 4.20 0.00 4.02 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 0.00 151 Y 7.86 4.40 0.00 3.10 3.26 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 0.00 152 A 8.07 3.77 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 0.00 153 D 7.82 4.45 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.25 4.44 0.00 2.66 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 0.00 155 N 7.72 4.51 0.00 2.19 2.59 0.00 0.00 7.14 7.17 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 0.00 156 S 7.35 3.65 0.00 4.00 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 0.00 157 L 8.85 4.76 0.00 1.51 1.59 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.53 4.33 0.00 1.75 1.58 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.28 5.98 0.00 2.99 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 *161 E 8.44 4.35 0.00 2.20 1.79 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 2.34 2.40 0.00 162 T 8.70 4.97 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 1.09 0.00 0.00 163 S 8.36 4.30 0.00 3.80 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 0.00 164 A 8.05 4.24 1.36 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 0.00 0.00 165 K 8.02 4.19 0.00 1.73 1.83 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.42 7.81 166 T 7.59 4.10 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 0.00 167 S 8.26 3.97 0.00 4.08 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 *169 N 8.45 5.43 0.00 2.82 2.82 0.00 0.00 7.25 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 0.00 170 V 7.79 3.63 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 1.30 0.00 0.00 1.00 0.00 0.00 171 N 8.21 4.67 0.00 2.83 3.03 0.00 0.00 6.91 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 0.00 172 E 8.21 4.15 0.00 2.13 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 2.54 2.45 0.00 173 I 7.67 3.65 1.80 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 1.27 1.44 0.50 0.00 0.00 174 F 7.38 4.11 0.00 2.30 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *176 A 8.03 4.30 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 0.00 177 I 8.16 3.53 2.15 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 1.43 0.71 0.94 0.00 0.00 178 A 8.02 3.32 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 7.38 3.90 0.00 1.76 2.01 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 180 K 7.89 4.05 0.00 1.88 1.78 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.59 7.81 181 L 6.75 4.37 0.00 1.46 1.35 -0.39 0.67 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 0.00 182 P 0.00 4.37 0.00 2.00 1.98 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.