NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6893 8.2785 117.7913 52.6390 38.2302 173.4556 0 A 4.3468 8.1222 128.0694 51.4020 19.7806 177.9400 2 N 3.7473 9.2741 114.7734 57.2636 39.9538 174.9202 3 D 4.3314 7.5719 118.4718 57.5672 40.6887 178.5924 4 I 3.8299 7.8056 120.5500 63.7994 37.3882 178.3016 5 V 3.6997 7.8141 117.9041 66.0461 31.2619 177.7968 6 A 4.0662 7.8377 119.4003 54.8230 18.5395 178.7583 7 S 4.5228 8.4589 111.2916 57.9589 63.2762 173.4009 8 T 4.5995 7.1324 118.8953 62.1768 70.7430 174.0094 9 Q 4.1357 8.8897 127.6523 58.4079 29.5144 175.7201 10 L 4.9265 7.4354 114.6334 51.7829 45.7392 174.2453 11 P 4.7828 0.0000 0.0000 63.0139 32.2841 175.8092 12 N 4.7839 9.1843 120.9600 53.5873 40.0391 174.2249 13 T 4.7885 9.6385 112.9701 59.1297 72.8695 174.7624 14 I 3.6064 8.5836 121.7270 64.5706 36.9037 178.3244 15 K 3.8959 7.9809 119.6805 59.6660 32.0995 178.6088 16 T 3.8319 7.8587 109.8864 65.0081 68.5419 176.1549 17 I 3.6263 8.1355 123.5463 64.1548 36.6030 178.4102 18 T 3.8092 7.9926 116.4131 66.6934 68.1965 176.0455 19 N 4.2936 8.2117 118.2281 56.6661 38.6516 176.9557 20 D 4.3431 8.2068 119.9308 57.5271 40.9708 178.8932 21 L 3.9357 8.1304 119.5344 58.0761 41.5641 179.9436 22 R 4.2765 8.0439 118.9280 58.2591 29.8696 179.1409 23 K 4.0092 8.1582 118.2290 59.8127 32.5984 178.7640 24 L 4.1105 7.6911 120.7564 56.3113 42.0787 177.1469 25 G 3.9792 7.3563 104.2079 45.0326 0.0000 174.0414 26 L 4.0386 8.1173 121.8262 54.3775 42.1926 176.3136 27 K 4.4516 8.0797 120.3869 54.6749 35.4167 175.4040 28 K 3.8929 7.9397 119.7677 57.8428 32.7914 176.0571 29 G 3.4899 8.4461 113.1775 45.6511 0.0000 173.1567 *31 T 4.5720 7.3333 114.5619 63.5809 70.9246 175.0837 32 V 5.0318 8.9846 125.6134 60.1348 35.4568 173.6748 33 I 4.8883 8.8935 124.8187 59.3670 39.8667 174.1200 34 V 4.8651 8.4179 129.4324 61.4008 33.8879 174.3877 35 H 5.0940 9.1561 124.1062 54.1157 32.4857 172.6154 36 S 5.0756 8.5929 115.6835 57.0522 66.2459 173.0734 37 S 4.5716 8.7769 116.8588 56.5115 63.3072 174.1568 38 L 4.0657 8.7547 129.4790 58.3604 42.0143 178.9259 39 S 4.1650 8.0508 113.9621 61.4030 62.9214 176.2607 40 S 4.1489 7.9029 117.8291 61.3922 62.4808 176.6807 41 I 3.9368 7.5853 123.3829 62.2830 36.7217 175.9169 42 G 4.0016 7.9303 104.3265 43.4139 0.0000 172.3580 43 W 4.1712 8.9750 129.0572 57.4207 31.9142 174.9837 44 I 4.5536 6.8341 126.8444 59.1028 40.1842 174.5491 45 S 3.5149 8.7827 122.7914 61.6528 61.6107 173.8890 46 G 3.9913 9.2209 115.4501 44.2909 0.0000 173.8475 47 G 3.7092 7.5576 109.3824 45.5446 0.0000 175.7498 48 A 3.8988 8.7194 122.8022 55.2696 17.8891 179.5754 49 V 3.5639 7.4819 115.0658 66.0716 31.6008 178.0018 50 A 3.9034 7.8543 120.4475 55.2578 18.2068 179.8492 51 V 3.4395 7.5658 116.1649 65.8804 31.4494 178.2213 52 V 3.3008 7.5204 116.9431 66.0537 31.4643 177.4861 53 E 3.8926 8.0070 116.7477 59.1842 29.6863 178.8449 54 A 4.2252 7.8239 122.0148 54.4659 18.3286 180.4386 55 L 3.8524 7.4576 113.7037 55.7292 41.1762 178.7321 *57 E 4.1969 8.0766 121.7663 56.2550 31.6204 177.2651 58 V 3.8135 7.7203 117.8029 65.8135 32.1718 178.1779 59 I 3.7437 8.1889 121.0970 62.7182 37.3225 176.8209 60 T 3.9600 8.1866 111.8607 60.3870 68.8951 172.3588 61 E 3.4433 8.7211 120.1612 58.5174 29.2023 178.1169 62 E 4.1112 8.2512 118.0457 57.0423 30.3457 176.0695 63 G 4.2843 8.0906 107.3230 45.0660 0.0000 172.4818 64 T 5.4249 8.2784 114.3223 61.9823 73.0899 173.3235 65 I 5.0279 9.4195 126.4912 59.8203 40.4878 174.8542 66 I 6.0054 8.9615 126.4484 57.7864 41.8678 172.1286 *68 P 3.9512 0.0000 0.0000 62.4620 31.9071 177.0577 69 T 4.7444 8.0423 111.4801 60.5916 67.3689 173.8106 70 Q 4.3936 7.7270 122.7291 56.0640 31.0822 177.2930 71 S 5.2558 8.8249 116.7082 56.9399 62.0793 174.8214 72 S 4.4000 8.2162 118.9375 60.8007 64.0572 176.8148 73 D 4.3921 8.2789 120.7780 57.6859 40.5492 177.5112 74 L 4.6161 7.9041 115.8566 54.8875 41.7213 176.7254 75 S 4.9587 8.0923 114.2152 56.3769 64.6291 173.5312 76 D 4.3239 8.6923 120.8161 54.2243 41.1779 175.3889 77 P 2.9700 0.0000 0.0000 63.8886 31.8069 178.8489 78 K 2.0000 6.7919 120.9211 57.0557 31.2946 182.9738 79 H 4.7406 6.9445 112.0922 55.3521 28.9375 175.7247 80 W 4.6108 7.9171 121.8746 56.9800 29.4639 175.1664 81 S 4.6271 8.7851 116.0780 60.1300 64.0335 175.3395 82 R 3.9117 7.8695 118.5839 57.4480 30.1256 174.2564 83 P 4.8593 0.0000 0.0000 60.1276 33.4115 173.4435 84 P 5.1321 0.0000 0.0000 61.5509 33.5653 174.8935 85 V 4.2459 8.2069 110.5179 58.9017 35.5776 173.4363 86 P 3.8264 0.0000 0.0000 62.7529 31.8212 176.9606 87 E 2.0000 8.0117 121.6438 59.0013 29.4693 179.3249 88 E 3.9840 7.8474 116.8196 59.2521 29.9934 178.9467 89 W 4.4282 8.7533 119.2510 59.2204 29.0165 178.3054 90 W 4.3652 8.1471 119.3100 60.2888 28.3548 178.3904 91 Q 3.9000 8.0998 117.0220 58.8136 28.9664 177.6741 92 I 3.7903 7.7049 120.5537 64.3967 37.1780 177.9123 93 I 3.6682 8.1706 120.8636 64.8110 36.7661 178.7187 94 R 2.8847 7.3192 116.9843 58.6891 29.7406 178.2717 95 D 4.5622 7.5202 116.5929 55.5416 41.1371 176.8424 96 N 4.9599 7.7257 113.8472 52.7365 41.1681 175.2392 97 V 3.7924 7.9359 118.6723 60.8412 31.8137 174.3908 98 P 4.3717 0.0000 0.0000 61.9851 31.8693 176.0714 99 A 4.3749 8.5655 124.2302 52.1730 19.1111 176.9642 100 F 4.3934 8.8639 122.9899 58.5355 40.4083 174.9775 101 E 4.1097 9.0593 125.3594 54.6261 32.6560 174.2914 102 P 3.9127 0.0000 0.0000 65.7357 31.4791 177.4365 103 H 4.5079 8.4597 110.2550 56.7001 29.3327 175.6326 104 I 4.0365 8.1580 121.2459 63.1814 38.1958 176.3929 105 T 3.9416 7.4227 116.9281 62.7747 68.3713 172.7991 106 P 4.4678 0.0000 0.0000 62.5465 32.0898 176.2523 107 T 4.5547 8.5212 111.2135 60.7866 70.1376 174.2651 108 R 4.3190 8.2867 121.9904 55.7042 32.9670 174.6843 109 A 3.3038 8.6000 127.0864 52.9046 14.7481 177.4189 *111 G 3.7684 7.3225 108.7193 43.6499 0.0000 171.8339 112 K 3.9218 8.4593 120.3854 59.5630 31.9947 179.6825 113 V 3.5491 7.7502 117.7989 66.0158 31.3053 178.1475 114 V 3.6944 7.6830 117.4617 65.9681 31.3188 177.6731 115 E 3.9864 8.0896 117.4308 59.4030 29.4007 178.8088 116 C 4.2910 8.5339 119.0986 62.3988 31.7560 174.9458 117 F 4.2624 8.4116 122.7930 61.6953 38.7019 177.4582 118 R 3.8872 8.3177 113.8489 58.5742 29.3068 177.7964 119 T 4.2647 7.4257 108.9122 61.6085 69.8159 174.7807 120 Y 3.9169 7.3116 120.9075 57.2827 38.5730 174.0873 121 P 4.3703 0.0000 0.0000 63.8782 32.1847 176.7881 122 N 4.4107 8.7951 115.3353 53.5944 36.7405 174.3480 123 V 4.3243 7.4098 119.2497 62.0093 32.3967 175.3166 124 V 4.5445 8.7582 127.4643 61.0264 34.5735 173.9703 125 R 5.2581 8.4632 126.4949 54.3279 32.6005 175.3241 126 S 4.6973 9.2869 120.6744 57.5848 64.2185 173.3069 127 N 4.9072 8.6660 116.5833 53.7841 38.7165 173.7869 128 H 4.2507 7.8789 116.8998 54.7880 30.6383 173.4747 129 P 2.9700 0.0000 0.0000 63.9210 32.0292 176.4020 130 L 4.6823 8.1014 117.7242 55.1466 44.6338 178.6662 131 G 4.3683 7.8485 104.2845 45.5007 0.0000 173.6935 132 S 4.8300 8.1716 114.3553 58.3046 64.7079 172.7336 133 F 5.3746 9.5549 118.4445 55.7291 43.3578 173.9398 134 A 5.4747 8.8596 121.2194 50.4875 22.4682 174.9915 135 A 5.5356 9.1234 120.8104 50.5934 23.5638 175.1073 136 W 5.1619 9.7911 129.0836 57.3347 34.5880 173.7090 137 G 3.3111 8.2998 110.8813 43.6669 0.0000 174.4129 138 R 3.6267 8.4701 120.0272 59.4785 30.2126 178.1902 139 H 4.8105 8.4055 112.7835 55.5742 29.1714 176.0605 140 A 4.0353 7.9074 123.6271 55.5719 18.1829 179.9123 141 E 3.9911 8.0906 116.7125 59.5550 29.6285 178.3085 142 E 3.9404 8.1316 117.4758 59.5555 29.7502 178.4791 143 I 3.8736 7.9936 119.3543 63.7893 37.4606 177.5644 144 T 4.3665 7.8175 108.8489 60.9518 69.4639 174.7499 145 V 4.1120 7.1717 121.5054 61.9574 32.8949 175.1554 146 N 4.1902 8.6809 117.5618 54.4614 35.3019 174.5751 147 Q 4.3900 8.3394 118.4074 55.1328 29.9398 175.5981 148 S 4.3037 8.4033 119.9233 57.8533 63.7667 173.7930 149 L 3.6899 8.0461 124.0277 58.3193 42.1712 178.9713 150 S 5.4205 7.7328 117.7920 58.4729 60.3867 173.7725 *152 S 4.4776 8.1209 117.5873 57.8191 64.7592 175.9057 153 L 4.6380 8.2719 118.3711 54.0852 42.0293 177.3558 154 G 4.1320 7.6363 110.7341 45.0099 0.0000 174.6725 155 E 4.0159 8.7494 118.1950 58.6048 29.4215 177.2174 156 E 4.4632 8.1656 118.2510 55.9429 29.7194 175.5181 157 S 4.6433 7.6771 114.9636 55.7985 65.5395 173.2811 158 P 4.2244 0.0000 0.0000 65.1104 30.7152 178.9348 159 L 3.8658 7.4463 118.3725 57.5488 41.3760 179.4303 160 R 3.9109 7.7335 118.6581 59.3113 29.9446 178.6370 161 K 3.9843 7.9509 117.8017 59.4693 31.9892 179.2787 162 I 3.7135 7.7566 120.2427 64.2463 36.9427 177.3437 163 Y 4.0843 7.8935 121.7991 60.4158 38.3336 178.4010 164 D 4.4815 8.4808 118.3300 56.9960 41.0094 178.0022 165 L 4.1649 7.5772 117.0112 53.9881 42.4098 175.8350 166 D 4.0287 8.0227 118.0398 55.0488 40.1142 172.9960 167 G 4.1054 7.6872 106.0240 45.6712 0.0000 172.8191 168 Y 5.0655 9.1549 116.9842 56.2019 41.0859 175.2403 169 I 5.0039 8.3017 120.7627 59.5081 40.7037 174.3460 170 L 5.1454 9.2969 128.2027 53.2421 45.0303 174.7648 171 L 4.9600 8.8064 126.5132 53.1547 44.2050 175.4982 172 I 4.2124 8.8627 126.3519 59.8120 38.8327 176.2634 173 G 4.1904 8.4581 114.3098 45.6500 0.0000 172.5452 174 V 4.4886 7.4697 110.7485 59.2898 35.7964 175.6539 175 G 4.2594 8.0545 110.7331 44.4182 0.0000 173.6256 176 Y 4.0475 8.7000 115.5237 60.2766 38.0838 177.5349 177 D 4.6349 8.3079 118.2747 55.3517 39.5840 176.8958 178 S 4.5633 7.8926 114.7720 58.6453 63.7331 175.0247 179 N 4.3781 7.9816 120.9497 52.3241 37.3190 174.8856 180 T 4.0460 8.0255 123.3046 66.2068 68.8454 175.6885 181 S 4.2293 8.2093 116.6873 61.4537 62.9284 176.1090 182 V 3.7733 7.5749 119.5464 64.2302 31.0640 177.5055 183 G 3.9511 8.0663 104.8374 46.6706 0.0000 175.5735 184 L 4.1350 7.9616 123.2780 58.2692 42.1343 178.5003 185 S 4.2975 8.0542 116.0040 61.1321 62.2835 176.5309 186 E 3.4927 8.1718 120.5425 59.4220 28.8967 179.7301 187 V 3.6419 7.6082 118.1297 66.0343 31.3840 178.3602 188 R 3.7783 8.5505 117.6349 58.3764 29.9787 178.1640 189 S 4.6361 7.9752 111.9391 57.2806 62.9849 174.1381 190 G 3.6997 7.7627 110.5644 46.7012 0.0000 175.7803 191 A 4.0712 7.9997 124.5056 53.7445 18.6371 178.2684 192 C 4.8575 7.0770 111.7995 58.0704 31.6990 174.4199 193 E 4.1917 8.3798 117.0130 55.7636 30.0540 177.1537 194 L 4.6675 8.0974 119.1164 54.2071 43.2000 176.4245 195 I 4.6429 8.5934 118.7626 59.3065 41.1292 175.3961 196 K 4.2845 8.6395 127.9325 55.3213 32.2513 176.0440 197 V 4.3621 8.6114 126.0198 60.3025 35.2392 173.8072 198 G 4.1449 7.8585 106.9839 45.3955 0.0000 171.7983 199 A 4.2396 7.3578 120.0761 50.2774 23.4984 173.4262 200 P 5.3835 0.0000 0.0000 61.5484 33.4660 174.7638 201 I 4.9941 8.8273 116.7827 59.1526 41.8412 174.7229 202 I 4.5058 8.4464 123.7816 60.2705 36.7862 174.8862 203 E 4.3362 9.1704 129.5001 55.0637 30.0082 175.7427 204 N 3.9119 9.2008 125.8023 54.7448 35.4897 175.1365 205 G 3.9189 8.4555 101.6776 46.0436 0.0000 172.9758 206 E 4.5870 7.6817 120.1426 53.5703 32.3696 175.0325 207 R 4.3640 8.8997 127.1603 57.5205 30.6391 175.6384 208 V 4.5777 9.0239 125.2470 60.9812 35.5767 173.6333 209 W 4.8848 9.0526 135.0000 56.7624 31.3203 174.8430 210 K 4.4928 8.5481 129.8379 54.7303 33.7035 174.7531 211 E 4.9919 8.5857 126.8909 55.5023 31.3550 175.0601 212 F 4.8427 8.3882 117.6302 56.5785 42.1953 172.5402 213 V 4.8438 8.3463 117.7662 59.6994 34.4552 173.0446 214 D 4.5664 8.7049 124.3299 54.3578 46.4343 176.6360 *216 D 4.4267 8.9675 108.6500 53.6356 41.1862 172.9602 217 Y 4.1838 7.5403 118.8346 57.8546 38.8275 176.1109 218 D 4.4471 9.1501 123.3453 52.6656 42.9236 175.2870 219 S 2.0000 8.1689 121.2289 58.4668 63.3861 175.6978 220 D 4.3552 7.4252 120.3898 57.2070 40.8012 177.7457 221 K 4.4297 7.8774 116.1438 56.9507 33.6217 178.2492 222 F 4.2611 8.3381 118.8995 60.8034 38.8093 177.5780 223 V 3.6358 7.8950 117.0016 65.9687 31.4706 177.3230 224 E 3.8255 8.0657 118.4264 59.4457 29.4924 178.6939 225 I 2.9011 7.3301 119.8817 63.9259 36.9274 178.7286 226 G 2.2316 8.0042 106.8615 47.1114 0.0000 175.8927 227 V 3.4095 7.1905 119.6974 65.7298 31.7057 177.4887 228 E 4.0425 7.9016 118.7281 58.8970 29.5074 178.2228 229 F 2.9959 8.1638 121.1699 61.1919 39.2828 177.0833 230 E 3.5823 8.0245 117.4519 58.7223 28.9025 179.1206 231 Q 3.9089 7.3215 117.6900 58.4421 28.7794 178.1684 232 K 4.1536 7.6515 117.6675 56.0972 32.3111 177.0829 233 G 3.7718 7.8329 107.8049 47.0409 0.0000 174.3415 234 T 4.3679 7.6823 106.4288 60.6445 69.1396 173.3660 235 V 4.5108 7.3533 121.7284 61.9432 33.3998 175.6795 236 T 4.2289 8.8183 125.2030 62.7395 70.8117 173.6003 *238 G 3.9919 8.2874 109.0837 46.4431 0.0000 171.7366 239 K 4.8942 8.4411 118.7314 54.7985 33.6642 176.8270 240 I 4.3922 8.2390 124.9295 60.2514 38.1847 176.6620 241 G 3.7797 8.3139 118.4296 47.1309 0.0000 174.9026 242 N 4.4915 9.5600 122.9690 53.8012 38.9617 174.4326 243 A 4.4799 7.9253 122.0829 50.5673 20.4931 176.8132 244 K 4.3047 8.6978 122.5943 56.6957 33.0702 176.1432 245 C 5.1181 8.8144 122.5987 58.1167 31.8296 173.8016 246 R 4.9305 8.6391 118.2201 54.8589 34.3391 174.2820 247 L 5.3974 8.9060 124.9627 52.0120 46.2258 175.4443 *249 K 3.7547 8.4019 122.4220 55.9084 33.3634 176.6803 250 Q 3.8900 8.8956 125.0853 59.4270 28.9870 178.7395 251 R 3.5137 7.6558 118.4746 59.3777 29.8843 177.8430 252 D 4.3319 7.8145 117.2280 57.6854 41.1459 178.2708 253 I 2.6379 7.3044 118.3375 63.5872 38.0455 178.1860 254 V 3.8600 7.8674 120.7824 65.4218 31.3624 177.8552 255 D 4.4216 8.3306 118.7579 57.2265 40.6459 178.3817 256 F 4.1214 8.4387 121.3881 61.2869 39.4253 177.2370 257 G 3.6948 8.4349 105.5885 48.1979 0.0000 175.4391 258 T 4.0869 8.3762 118.7675 66.5690 68.5590 176.4760 259 E 3.9693 8.1729 120.1477 59.0522 29.6359 178.8392 260 W 3.8690 8.5012 128.7794 60.8424 30.4599 177.9291 261 F 4.3812 8.3941 118.4436 61.0647 38.4412 176.2864 *262 R 4.3418 7.5177 118.1986 55.6047 31.0209 177.8102 263 K 3.8682 7.9730 120.8045 59.4788 32.4308 176.6391 264 K 3.9750 7.1391 120.8201 56.4915 31.8225 176.5377 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 N 8.28 4.69 0.00 2.67 2.83 0.00 0.00 6.58 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.12 4.35 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 2 N 9.27 3.75 0.00 2.92 3.04 0.00 0.00 7.03 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 3 D 7.57 4.33 0.00 2.95 2.73 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 0.00 0.00 0.00 0.00 4 I 7.81 3.83 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.11 1.07 0.00 0.00 5 V 7.81 3.70 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 0.83 0.00 0.00 0.77 0.00 0.00 6 A 7.84 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.46 4.52 0.00 4.05 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 8 T 7.13 4.60 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 1.36 0.00 0.00 9 Q 8.89 4.14 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 10 L 7.44 4.93 0.00 1.64 1.53 0.93 1.03 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 11 P 0.00 4.78 0.00 2.39 2.51 0.00 3.83 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 2.10 2.14 0.00 12 N 9.18 4.78 0.00 2.70 2.72 0.00 0.00 6.34 6.57 0.00 0.00 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 9.64 4.79 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 1.28 0.00 0.00 14 I 8.58 3.61 1.85 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 1.64 0.50 0.88 0.00 0.00 15 K 7.98 3.90 0.00 1.91 1.79 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.07 7.81 16 T 7.86 3.83 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 1.22 0.00 0.00 17 I 8.14 3.63 1.88 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 1.47 0.76 0.84 0.00 0.00 18 T 7.99 3.81 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 1.19 0.00 0.00 19 N 8.21 4.29 0.00 2.94 2.86 0.00 0.00 7.07 7.60 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 20 D 8.21 4.34 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.13 3.94 0.00 1.79 1.67 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.04 4.28 0.00 2.01 1.94 0.00 3.12 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 23 K 8.16 4.01 0.00 1.87 1.93 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.59 7.81 24 L 7.69 4.11 0.00 1.79 1.92 0.91 1.14 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 25 G 7.36 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 T 8.03 4.05 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 1.28 0.00 0.00 181 S 8.21 4.23 0.00 3.98 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 0.00 182 V 7.57 3.77 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 0.00 0.00 0.50 0.00 0.00 0.62 0.00 0.00 183 G 8.07 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 0.00 0.00 0.00 184 L 7.96 4.13 0.00 1.82 1.85 0.94 0.72 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 0.00 185 S 8.05 4.30 0.00 4.22 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 0.00 186 E 8.17 3.49 0.00 2.41 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 1.85 2.64 0.00 187 V 7.61 3.64 2.26 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 1.05 0.00 0.00 1.20 0.00 0.00 188 R 8.55 3.78 0.00 1.86 1.97 0.00 3.11 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 189 S 7.98 4.64 0.00 4.15 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 0.00 190 G 7.76 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 0.00 0.00 0.00 191 A 8.00 4.07 0.59 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 0.00 0.00 192 C 7.08 4.86 0.00 2.73 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 0.00 193 E 8.38 4.19 0.00 1.99 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 2.23 1.90 0.00 194 L 8.10 4.67 0.00 1.55 1.57 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 195 I 8.59 4.64 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 0.95 0.66 0.80 0.00 0.00 196 K 8.64 4.28 0.00 1.57 1.66 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.00 7.81 197 V 8.61 4.36 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 0.83 0.00 0.00 0.84 0.00 0.00 198 G 7.86 4.14 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 0.00 199 A 7.36 4.24 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 0.00 200 P 0.00 5.38 0.00 2.29 2.55 0.00 3.68 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 201 I 8.83 4.99 1.88 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 1.18 1.23 0.81 0.00 0.00 202 I 8.45 4.51 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.95 0.00 0.00 203 E 9.17 4.34 0.00 1.98 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 2.22 2.25 0.00 204 N 9.20 3.91 0.00 2.93 2.92 0.00 0.00 7.13 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 0.00 205 G 8.46 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 E 7.68 4.59 0.00 2.21 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 2.21 2.29 0.00 207 R 8.90 4.36 0.00 1.91 1.91 0.00 3.31 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 208 V 9.02 4.58 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 1.01 0.00 0.00 1.01 0.00 0.00 209 W 9.05 4.88 0.00 3.53 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 K 8.55 4.49 0.00 1.70 1.49 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.37 7.81 211 E 8.59 4.99 0.00 1.94 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 2.40 2.49 0.00 212 F 8.39 4.84 0.00 3.05 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 0.00 213 V 8.35 4.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 214 D 8.70 4.57 0.00 2.80 1.66 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 *216 D 8.97 4.43 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Y 7.54 4.18 0.00 3.03 2.85 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 0.00 218 D 9.15 4.45 0.00 2.57 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 0.00 219 S 8.17 2.00 0.00 3.46 3.47 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 0.00 220 D 7.43 4.36 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 K 7.88 4.43 0.00 2.09 1.87 0.00 2.14 0.00 0.00 2.04 0.00 0.00 3.06 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.63 1.75 7.81 222 F 8.34 4.26 0.00 3.16 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 0.00 223 V 7.89 3.64 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 1.06 0.00 0.00 1.01 0.00 0.00 224 E 8.07 3.83 0.00 2.04 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 2.40 2.45 0.00 225 I 7.33 2.90 1.57 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.57 0.00 0.00 226 G 8.00 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 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.19 3.41 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 0.78 0.00 0.00 0.88 0.00 0.00 228 E 7.90 4.04 0.00 2.18 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 2.55 2.45 0.00 229 F 8.16 3.00 0.00 2.40 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 0.00 230 E 8.02 3.58 0.00 1.96 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 2.23 2.29 0.00 231 Q 7.32 3.91 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 232 K 7.65 4.15 0.00 1.50 1.71 0.00 2.05 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.38 7.81 233 G 7.83 3.77 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 0.00 0.00 0.00 234 T 7.68 4.37 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 235 V 7.35 4.51 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.96 0.00 0.00 236 T 8.82 4.23 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 1.27 0.00 0.00 *238 G 8.29 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 K 8.44 4.89 0.00 1.74 1.94 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.43 7.81 240 I 8.24 4.39 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.87 0.00 0.00 241 G 8.31 3.78 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 0.00 0.00 0.00 242 N 9.56 4.49 0.00 2.95 2.88 0.00 0.00 6.88 7.21 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 0.00 243 A 7.93 4.48 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 0.00 244 K 8.70 4.30 0.00 1.73 1.76 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.47 7.81 245 C 8.81 5.12 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 R 8.64 4.93 0.00 1.64 1.74 0.00 2.97 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 247 L 8.91 5.40 0.00 1.70 1.48 0.98 0.60 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 *249 K 8.40 3.75 0.00 1.75 1.44 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.58 1.27 7.81 250 Q 8.90 3.89 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 251 R 7.66 3.51 0.00 1.56 1.61 0.00 3.00 0.00 0.00 2.80 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 252 D 7.81 4.33 0.00 2.87 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 0.00 253 I 7.30 2.64 1.36 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.09 0.82 0.00 0.00 254 V 7.87 3.86 2.34 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 1.50 0.00 0.00 1.04 0.00 0.00 255 D 8.33 4.42 0.00 3.06 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 0.00 256 F 8.44 4.12 0.00 3.12 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 0.00 257 G 8.43 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 0.00 0.00 0.00 258 T 8.38 4.09 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 259 E 8.17 3.97 0.00 2.13 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 260 W 8.50 3.87 0.00 3.10 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 0.00 261 F 8.39 4.38 0.00 3.47 3.15 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 0.00 0.00 0.00 *262 R 7.52 4.34 0.00 1.69 1.73 0.00 3.26 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.82 0.00 263 K 7.97 3.87 0.00 1.65 1.60 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.33 7.81 264 K 7.14 3.97 0.00 1.90 1.62 0.00 0.61 0.00 0.00 0.63 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.19 7.81 * Residues marked with a * may have inaccurate shift predictions.