NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7186 8.3501 109.7351 45.2641 0.0000 173.7676 *2 A 3.9124 8.1140 120.9017 51.1570 20.3932 176.6290 3 L 4.2635 8.2981 124.1802 54.0773 42.3095 175.6499 4 Q 4.5105 8.6677 126.5340 54.6719 30.6255 174.7760 5 E 4.9664 8.4131 122.7525 54.5138 32.4836 174.8899 6 E 4.7528 8.4157 120.8908 55.8535 33.5948 173.7471 7 F 5.3920 8.9189 118.3535 55.7938 41.5011 175.1833 8 I 4.6582 9.0295 122.5581 59.1860 41.2424 173.6049 9 D 5.0779 8.7721 127.8913 53.6054 42.2707 176.0391 10 V 4.2003 9.0371 126.8185 61.6686 31.6249 174.9096 11 N 4.4133 9.9205 128.1024 54.1640 36.1452 175.6287 12 G 4.0446 8.7502 105.0785 45.3366 0.0000 173.7844 13 T 4.4811 8.0029 117.4683 61.6529 70.2335 173.6359 14 R 4.6926 8.6095 127.1926 56.0547 30.9976 174.6159 15 V 4.7513 9.0535 128.1253 61.0931 33.7510 174.5453 16 F 4.6284 9.2388 131.1732 57.9753 40.6063 174.1071 17 Q 4.7595 8.3227 122.9005 54.5580 32.6696 173.6187 18 R 4.9207 8.7808 119.3722 54.5951 33.3400 175.3844 19 K 5.3485 8.3698 121.5876 55.9658 35.8082 175.4737 *21 V 4.2272 8.3125 111.7773 62.2114 33.0228 174.5912 22 T 4.6377 9.0275 118.0613 60.9315 70.3839 175.4949 23 D 4.5415 8.6942 125.7848 55.8929 40.1229 177.5654 24 S 4.3624 7.3580 110.3636 61.5861 62.8209 174.9887 25 N 4.4437 8.0377 117.7198 53.6079 38.6787 175.4757 26 R 4.6438 8.4031 119.3994 55.7436 31.1106 175.6159 27 R 4.5800 7.4978 116.8052 54.4254 34.0871 174.3978 28 S 5.5040 8.6544 117.7960 56.9098 67.4653 172.7353 29 I 5.2185 9.4841 122.2624 59.3713 41.5028 173.5838 30 A 5.3077 9.0372 130.0139 50.0917 21.8967 174.6877 31 L 4.3350 8.2360 121.4700 52.6127 44.7917 175.5825 32 F 5.1801 8.4466 121.7167 55.7525 42.1322 174.7321 33 H 4.8163 9.0965 119.8169 54.9191 30.2320 175.1216 34 G 3.9329 8.4937 108.1970 44.4037 0.0000 173.9919 35 Y 3.9449 8.5327 120.0310 60.4449 38.5470 177.2123 36 S 4.2855 7.8132 112.0840 58.3965 63.4331 172.8321 37 F 4.9159 7.5443 118.0192 55.7467 42.5739 172.6784 38 T 4.2643 8.6275 111.0120 60.0501 71.7947 174.7422 39 S 4.4015 8.9651 115.5672 58.5433 61.4685 175.3240 *41 D 4.3442 7.8788 119.6039 54.6826 42.9356 177.9839 42 W 4.5969 7.2239 118.5480 58.5425 29.5007 177.9085 43 D 4.5515 8.3508 118.9843 57.2668 39.9262 178.2961 44 K 3.9900 7.8869 118.8372 58.6976 32.2234 177.7293 45 A 4.5135 7.8403 117.5545 50.4409 20.0956 175.7744 46 D 4.3946 8.1869 117.4047 55.7174 40.4586 175.7794 47 L 3.4217 7.5955 119.2290 57.1337 41.5989 179.1323 48 F 3.9622 7.8654 117.5168 60.5990 39.1117 177.2198 49 N 4.3688 8.1829 115.5163 56.5345 38.7811 177.1638 50 N 4.3606 8.1245 117.8080 56.4528 38.5046 176.9992 51 Y 4.4970 7.8988 118.0768 60.6547 38.0867 177.8829 52 S 4.7220 8.3168 115.8060 60.7938 62.2853 176.1097 53 K 4.1996 8.0613 119.7632 58.1824 31.9876 177.5214 54 I 4.3313 7.3208 111.2381 60.5675 37.5869 176.4529 55 G 3.8761 8.2614 107.4105 46.2011 0.0000 173.2003 56 Y 4.6404 7.8436 117.5583 56.5568 39.8093 174.8493 57 N 4.6960 9.5838 122.7013 53.2006 40.1486 174.1227 58 V 4.8993 8.1983 122.8811 61.3019 34.5120 173.6488 59 Y 5.2926 9.0292 124.4686 56.2952 42.0886 174.8291 60 A 4.8993 9.6544 125.5119 49.9393 21.9557 173.7002 61 P 5.1484 0.0000 0.0000 62.4281 33.6091 175.1746 62 D 4.8906 8.7941 121.5178 53.6532 41.7828 176.3101 63 Y 3.5377 9.0549 124.6946 56.4907 39.4912 173.3953 64 P 4.3798 0.0000 0.0000 64.7300 31.6540 176.7468 65 G 3.9655 9.0723 111.3399 45.1649 0.0000 172.8707 66 F 4.7658 8.1964 117.7090 55.8918 43.7775 178.3180 67 G 3.7693 8.2197 112.1111 47.5414 0.0000 174.7649 68 R 4.5169 9.7104 123.3916 55.8727 30.3156 175.1275 69 S 5.0918 8.1461 115.6614 57.2281 64.5094 174.2648 70 A 4.2896 8.8555 124.8109 51.7817 19.4150 177.7774 71 S 4.5019 8.5514 115.7513 58.9980 63.8370 174.3125 72 S 4.6117 8.2184 115.6327 57.0499 65.1504 174.7695 73 E 3.9921 8.9708 127.7864 59.4093 29.6230 178.2883 74 K 3.8344 7.9640 118.4742 58.7399 32.2442 176.7234 75 Y 4.9399 7.6320 113.1709 57.4757 39.2502 176.3890 76 G 3.9792 8.1378 109.9367 45.8706 0.0000 173.5296 77 I 4.5595 8.5519 114.1177 60.4465 38.1125 176.9766 78 D 4.4109 8.4352 122.7723 57.7712 40.6287 177.5941 79 R 4.3231 8.0230 114.8257 55.6489 30.2028 176.5113 80 G 3.5043 8.0088 105.4767 46.7265 0.0000 174.8383 81 D 4.5510 7.6768 120.3274 52.4951 40.9813 176.0022 82 L 4.1669 8.2399 128.8236 57.5594 42.3599 178.3665 83 K 4.1297 8.1569 118.5002 59.5690 31.8474 178.7879 84 H 4.4581 8.4531 116.6718 58.9583 28.5654 177.5969 85 A 4.8179 8.4296 123.2760 54.4581 18.3335 179.3664 86 A 4.3350 8.0589 120.5189 54.8357 18.3980 179.5128 87 E 4.1088 8.4671 117.1052 59.6802 29.6476 179.2553 88 F 3.4068 8.6185 120.4518 61.3505 39.3637 177.2449 89 I 3.5222 7.9981 119.3075 64.1228 36.8558 178.2819 90 R 3.7148 7.9551 119.4800 59.7372 29.7834 178.3970 91 D 4.2849 8.2460 118.8704 57.2498 40.6054 178.2216 92 Y 3.7343 7.9307 120.5553 60.4487 38.6680 177.9386 93 L 3.5291 7.8875 120.0058 57.5047 41.6684 179.3867 94 K 3.7457 7.8965 119.2875 59.4586 31.8889 178.6837 95 A 3.9269 7.8601 120.1388 54.6837 18.3208 178.3514 96 N 4.5346 7.2217 112.5249 52.7725 38.7769 175.8976 97 G 3.7122 7.7365 108.5913 45.8219 0.0000 173.4082 98 V 4.0553 7.4923 119.3737 60.6919 32.3172 175.7029 99 A 4.1901 8.5670 130.8259 54.6920 18.8562 177.3008 100 R 4.9880 7.4435 111.5840 55.2246 34.5007 174.8378 101 S 4.8040 8.9397 115.1601 56.9482 66.6528 173.6647 102 V 4.3824 8.8931 126.0742 63.1203 32.7697 174.9224 103 I 5.3696 7.9937 119.8555 57.8934 41.6452 174.0051 *105 G 4.3543 8.6477 107.0460 46.2739 0.0000 171.5548 106 A 5.0142 8.6796 125.3792 51.1206 20.4107 177.3022 107 S 4.2309 8.4686 121.9411 58.9414 63.4119 173.8650 *109 G 3.8189 7.8587 107.3164 45.3762 0.0000 175.0213 110 G 3.5006 7.8701 108.7418 48.5050 0.0000 176.6811 111 G 3.8484 7.6865 105.9198 45.0783 0.0000 174.5258 *113 V 4.0504 7.8781 115.3098 61.1978 33.6522 178.4063 114 I 3.5675 7.5802 116.9020 62.5556 36.5293 177.7825 *116 T 4.4027 7.9626 119.8027 64.0813 70.2034 176.5734 117 T 4.0164 7.8362 117.0363 66.4073 68.6913 175.9944 118 L 4.1179 7.9673 120.8876 57.5188 41.8959 178.3650 119 Q 3.9082 7.9005 116.1895 57.8488 29.8614 175.8654 120 Y 5.0040 8.0602 114.2103 55.9521 38.7534 174.6894 121 P 4.3721 0.0000 0.0000 65.7102 32.1035 178.7591 122 D 4.5538 8.1646 117.4051 55.9304 41.0356 176.6022 123 I 4.1036 7.8968 112.3020 60.6010 38.3212 175.0680 124 V 4.6642 7.4531 121.6368 61.5049 32.1479 175.0446 125 D 4.5480 9.0319 128.4038 55.2865 41.4598 176.7141 126 G 4.2749 6.9301 106.7823 46.1633 0.0000 171.8310 127 I 5.3104 8.2316 120.8924 59.2931 40.8840 174.7414 128 I 4.7714 8.5748 126.6045 59.3439 39.7384 174.9138 129 A 4.7216 9.0764 128.7262 50.1927 22.0951 174.9402 130 V 4.2677 9.0460 124.1924 60.9756 32.3186 175.5990 131 A 2.0000 7.3738 134.5793 51.1846 16.1642 174.9901 132 P 4.2723 0.0000 0.0000 62.5577 32.3299 176.8535 133 A 4.5520 8.3218 125.5258 51.7521 20.4406 177.1948 134 W 3.9980 9.1146 117.3435 57.7256 26.3522 175.5852 135 V 4.4462 7.6880 109.3990 61.0977 31.9650 177.3668 136 E 4.1974 8.4623 120.6970 59.1335 29.3903 177.8395 137 S 4.4867 8.1087 110.8980 58.8909 63.8137 174.2868 138 L 4.6670 7.9495 121.1790 54.6603 41.8443 178.3693 139 K 3.9605 8.2465 120.9359 59.5265 32.0971 178.7789 140 G 3.7424 8.0219 106.4436 48.2149 0.0000 172.9270 141 D 4.6602 7.8178 120.3178 54.5213 41.2149 178.4247 *143 K 4.6216 8.1258 121.3091 57.3674 34.4536 177.3825 144 K 4.1891 7.9404 119.7193 55.8552 32.0436 182.1790 145 I 3.8046 7.7152 118.0597 62.7195 37.1906 175.9741 146 R 4.3939 8.4416 123.4188 56.8588 31.1225 177.0963 147 Q 4.1772 7.8977 116.5794 55.3192 29.5368 176.1185 148 K 4.1675 8.6836 120.5025 57.6443 33.4303 175.9245 149 T 5.1649 8.6760 119.9495 61.7290 72.8937 172.2313 150 L 4.7312 8.3711 128.5435 53.1526 44.2597 174.7172 151 L 5.2082 8.9281 127.1195 53.1853 44.0211 175.5219 152 V 5.0135 8.7647 124.0849 60.9674 34.3664 174.3698 153 W 5.3653 9.1486 126.5617 54.8095 33.8303 174.7687 154 G 4.3467 9.0058 110.2055 45.1948 0.0000 174.8429 155 S 4.3548 8.9950 118.2285 60.0252 63.5366 175.1526 156 K 4.4614 8.1032 118.7260 55.9141 32.5074 176.0079 157 D 4.4352 8.2576 122.0711 54.8922 40.9951 176.0374 158 H 5.0129 8.7247 122.4264 55.7385 29.7533 175.4633 159 V 3.6920 8.6136 121.3113 64.8349 31.5131 176.3719 160 V 4.3604 7.7337 120.5408 60.0210 32.7334 173.0671 161 P 4.3788 0.0000 0.0000 62.8973 31.9863 177.7215 162 I 3.1380 8.4139 121.6115 63.4114 38.4147 177.6116 163 A 3.8634 7.9818 122.0938 55.2410 17.9807 179.3907 164 L 3.5332 7.6803 117.4988 57.1426 41.5179 179.5469 165 S 2.7900 6.3772 114.0389 61.2002 62.5782 177.0507 166 K 3.8816 7.4238 121.8619 58.4690 31.8577 178.9540 167 E 3.8947 7.6612 119.8307 59.6338 29.6514 178.5873 168 Y 4.4544 8.4306 116.8335 61.0331 37.6488 178.3786 169 A 4.3949 7.8491 122.5389 54.6022 18.4856 179.6089 170 S 4.2567 7.8275 112.8597 61.6665 63.1129 176.5536 171 I 4.1052 7.9531 122.5053 63.2281 37.1067 176.0272 172 I 4.3648 7.7260 123.8039 59.6227 36.5736 175.5072 173 S 4.3395 8.4346 122.4580 59.7950 63.0920 175.6036 174 G 4.0379 8.9311 112.9049 45.1553 0.0000 173.7747 175 S 4.3908 7.5957 114.7061 59.2264 64.2086 173.6198 176 R 4.6415 9.1485 123.6496 54.9160 31.3999 174.4102 177 L 5.0653 8.4982 129.2267 53.8119 43.5915 175.2020 178 E 4.7114 9.3803 126.0859 54.6581 32.7849 174.7871 179 I 4.8149 8.4808 125.6645 59.7113 39.1130 175.3400 180 V 4.1190 8.9648 128.8294 61.2837 32.5456 174.8589 181 E 4.1155 8.8011 129.9108 57.6253 29.9488 177.0561 182 G 3.9490 9.0082 114.6289 45.3869 0.0000 172.8428 183 S 4.9122 7.6960 113.9045 56.0665 65.2464 173.7977 184 G 4.1823 9.1220 120.7600 45.7238 0.0000 174.5532 185 H 4.3759 9.3108 119.4981 58.2759 30.3511 175.6111 186 P 3.9837 0.0000 0.0000 60.9424 29.8596 176.3184 187 V 3.7294 7.6412 126.4002 66.1662 32.0248 177.2459 188 Y 3.7089 6.5497 115.3675 58.1932 38.1170 176.1406 189 I 3.9833 6.5765 120.8857 62.8933 38.4353 176.8100 190 E 4.1302 7.6762 117.7804 57.9616 30.4843 176.9519 191 K 4.7056 8.1052 117.3608 53.7079 32.7343 175.2375 192 P 4.3167 0.0000 0.0000 65.9225 31.6771 178.5143 193 E 3.9646 8.1408 117.8547 59.3105 29.5123 178.8042 194 E 3.9505 8.1815 118.8675 58.9652 29.7680 178.1641 195 F 3.9912 8.5311 121.0751 61.4166 39.3569 177.3465 196 V 3.6364 8.1879 117.7597 65.9437 31.3334 177.8668 197 R 3.8879 8.1935 118.5518 59.5582 29.9567 178.6449 198 I 3.7011 7.8302 119.7614 64.5825 37.1167 178.6168 199 T 3.7742 7.7553 110.7442 64.5827 68.5183 176.8720 200 V 3.5680 8.1858 121.5313 65.7249 31.3452 177.4659 201 D 4.2959 7.8525 116.6617 57.2477 41.3804 177.5847 202 F 4.2846 8.2544 121.0542 61.5436 39.2723 177.1925 203 L 3.7372 8.0745 118.4555 57.4476 41.0400 179.6209 204 R 4.0171 8.0560 117.7628 58.9406 30.1197 178.0133 205 N 4.7967 7.1336 111.8249 52.7070 39.0095 174.8218 206 L 3.8665 7.2965 128.7235 55.2350 42.1369 176.4944 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 0 G 8.35 3.72 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 0.00 0.00 0.00 *2 A 8.11 3.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.30 4.26 0.00 1.39 1.45 -0.17 0.45 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 4 Q 8.67 4.51 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 5 E 8.41 4.97 0.00 1.84 1.95 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 2.08 2.16 0.00 6 E 8.42 4.75 0.00 2.04 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 2.06 2.21 0.00 7 F 8.92 5.39 0.00 2.99 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 8 I 9.03 4.66 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.71 1.11 0.00 0.00 9 D 8.77 5.08 0.00 2.78 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 10 V 9.04 4.20 2.31 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 0.88 0.00 0.00 1.09 0.00 0.00 11 N 9.92 4.41 0.00 3.06 2.89 0.00 0.00 7.47 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 12 G 8.75 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 13 T 8.00 4.48 4.67 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 1.35 0.00 0.00 14 R 8.61 4.69 0.00 1.97 1.92 0.00 3.10 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 15 V 9.05 4.75 2.42 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 1.09 0.00 0.00 1.22 0.00 0.00 16 F 9.24 4.63 0.00 3.00 2.90 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 17 Q 8.32 4.76 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.53 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 18 R 8.78 4.92 0.00 1.70 1.36 0.00 3.34 0.00 0.00 3.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.33 0.00 19 K 8.37 5.35 0.00 1.47 1.86 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.13 7.81 *21 V 8.31 4.23 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 0.15 0.00 0.00 0.87 0.00 0.00 22 T 9.03 4.64 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 1.20 0.00 0.00 23 D 8.69 4.54 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.36 4.36 0.00 3.81 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.04 4.44 0.00 3.04 2.76 0.00 0.00 6.71 6.98 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 26 R 8.40 4.64 0.00 1.94 1.83 0.00 3.26 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 27 R 7.50 4.58 0.00 1.22 0.66 0.00 2.50 0.00 0.00 2.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.32 0.00 28 S 8.65 5.50 0.00 3.81 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 29 I 9.48 5.22 1.66 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.49 0.83 0.00 0.00 30 A 9.04 5.31 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 31 L 8.24 4.33 0.00 0.87 0.26 -0.24 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.45 5.18 0.00 2.97 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 33 H 9.10 4.82 0.00 2.93 3.17 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.49 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.53 3.94 0.00 2.89 3.02 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 36 S 7.81 4.29 0.00 2.99 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 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0.00 1.30 0.00 0.00 117 T 7.84 4.02 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 1.23 0.00 0.00 118 L 7.97 4.12 0.00 1.60 1.68 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.90 3.91 0.00 1.51 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.42 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 120 Y 8.06 5.00 0.00 3.09 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 0.00 121 P 0.00 4.37 0.00 2.23 2.43 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 122 D 8.16 4.55 0.00 2.74 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 0.00 123 I 7.90 4.10 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.89 0.00 0.00 124 V 7.45 4.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.03 0.00 0.00 125 D 9.03 4.55 0.00 2.81 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 0.00 126 G 6.93 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 0.00 0.00 0.00 0.00 127 I 8.23 5.31 1.90 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 1.25 0.88 0.90 0.00 0.00 128 I 8.57 4.77 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.54 0.77 0.00 0.00 129 A 9.08 4.72 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 0.00 130 V 9.05 4.27 2.16 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 1.13 0.00 0.00 1.21 0.00 0.00 131 A 7.37 2.00 0.44 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 0.00 132 P 0.00 4.27 0.00 2.24 1.99 0.00 3.15 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.09 0.00 133 A 8.32 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 W 9.11 4.00 0.00 3.52 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 0.00 135 V 7.69 4.45 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 0.85 0.00 0.00 0.83 0.00 0.00 136 E 8.46 4.20 0.00 2.08 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 2.59 2.54 0.00 137 S 8.11 4.49 0.00 3.99 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 0.00 138 L 7.95 4.67 0.00 1.78 1.65 0.93 0.68 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 0.00 139 K 8.25 3.96 0.00 1.78 1.92 0.00 1.83 0.00 0.00 1.92 0.00 0.00 3.28 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.58 1.72 7.81 140 G 8.02 3.74 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 0.00 0.00 0.00 141 D 7.82 4.66 0.00 2.83 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 *143 K 8.13 4.62 0.00 1.90 2.00 0.00 1.18 0.00 0.00 0.61 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.41 7.81 144 K 7.94 4.19 0.00 1.81 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.28 7.81 145 I 7.72 3.80 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 1.41 0.93 0.96 0.00 0.00 146 R 8.44 4.39 0.00 1.80 1.98 0.00 3.39 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 147 Q 7.90 4.18 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 148 K 8.68 4.17 0.00 1.75 1.91 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.50 7.81 149 T 8.68 5.16 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 1.21 0.00 0.00 150 L 8.37 4.73 0.00 0.27 0.48 0.76 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.93 5.21 0.00 1.74 1.96 1.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.76 5.01 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 1.15 0.00 0.00 0.82 0.00 0.00 153 W 9.15 5.37 0.00 3.31 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 0.00 154 G 9.01 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 0.00 0.00 0.00 0.00 155 S 8.99 4.35 0.00 3.91 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 0.00 156 K 8.10 4.46 0.00 1.75 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.37 7.81 157 D 8.26 4.44 0.00 2.94 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 0.00 158 H 8.72 5.01 0.00 3.19 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.61 3.69 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 0.52 0.00 0.00 0.91 0.00 0.00 160 V 7.73 4.36 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 1.22 0.00 0.00 0.99 0.00 0.00 161 P 0.00 4.38 0.00 2.20 1.99 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 162 I 8.41 3.14 1.83 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 1.22 0.90 0.83 0.00 0.00 163 A 7.98 3.86 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.68 3.53 0.00 1.60 0.80 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 165 S 6.38 2.79 0.00 3.03 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 0.00 166 K 7.42 3.88 0.00 1.76 1.79 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.06 7.81 167 E 7.66 3.89 0.00 1.88 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 2.39 2.36 0.00 168 Y 8.43 4.45 0.00 2.98 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 0.00 169 A 7.85 4.39 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 0.00 170 S 7.83 4.26 0.00 4.07 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 0.00 171 I 7.95 4.11 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.26 0.97 0.00 0.00 172 I 7.73 4.36 1.91 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 1.29 1.28 0.93 0.00 0.00 173 S 8.43 4.34 0.00 3.87 3.82 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 0.00 0.00 0.00 174 G 8.93 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 0.00 175 S 7.60 4.39 0.00 3.99 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 0.00 176 R 9.15 4.64 0.00 1.94 1.84 0.00 3.17 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 177 L 8.50 5.07 0.00 1.69 1.55 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 178 E 9.38 4.71 0.00 1.87 1.81 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 2.19 2.36 0.00 179 I 8.48 4.81 1.89 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 1.26 0.57 1.01 0.00 0.00 180 V 8.96 4.12 2.16 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 0.97 0.00 0.00 1.02 0.00 0.00 181 E 8.80 4.12 0.00 2.02 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 2.30 2.40 0.00 182 G 9.01 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 0.00 183 S 7.70 4.91 0.00 3.82 3.70 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 0.00 184 G 9.12 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 H 9.31 4.38 0.00 3.20 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 3.98 0.00 1.46 1.84 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 1.92 1.94 0.00 187 V 7.64 3.73 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 1.51 0.00 0.00 1.01 0.00 0.00 188 Y 6.55 3.71 0.00 2.71 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 6.58 3.98 1.42 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.02 0.69 0.00 0.00 190 E 7.68 4.13 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 191 K 8.11 4.71 0.00 1.74 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.33 1.62 7.81 192 P 0.00 4.32 0.00 2.28 2.44 0.00 3.69 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 2.08 2.04 0.00 193 E 8.14 3.96 0.00 2.15 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 2.40 1.94 0.00 194 E 8.18 3.95 0.00 2.11 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 2.41 2.46 0.00 195 F 8.53 3.99 0.00 3.34 3.29 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 0.00 196 V 8.19 3.64 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 1.04 0.00 0.00 1.02 0.00 0.00 197 R 8.19 3.89 0.00 2.03 2.05 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 198 I 7.83 3.70 1.72 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 1.56 0.79 0.80 0.00 0.00 199 T 7.76 3.77 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 200 V 8.19 3.57 2.24 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 1.12 0.00 0.00 1.10 0.00 0.00 201 D 7.85 4.30 0.00 2.83 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 0.00 202 F 8.25 4.28 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 L 8.07 3.74 0.00 1.50 1.31 -0.22 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 204 R 8.06 4.02 0.00 1.91 1.99 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 205 N 7.13 4.80 0.00 2.69 2.75 0.00 0.00 7.06 8.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 7.30 3.87 0.00 1.29 1.43 0.60 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.