NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4710 8.3349 115.4194 57.8907 65.4477 174.1194 2 L 4.2518 7.8522 121.8698 54.3314 42.7315 174.6451 3 K 5.2167 9.0287 121.9885 54.5276 36.1492 174.4794 4 L 5.1241 9.4733 126.9852 53.7094 44.2937 174.6010 5 Y 4.8183 9.8714 126.0079 56.8981 39.1728 175.5225 6 G 4.5809 8.2968 112.8954 47.1533 0.0000 171.0638 7 F 4.6345 6.2516 113.8997 55.1732 40.6778 175.4705 8 S 4.3470 8.4088 117.6441 60.2302 62.9271 175.3848 9 V 3.6609 7.4319 119.0687 63.8916 31.9445 175.6722 10 S 3.9250 6.9279 116.1463 57.5541 62.5406 174.4689 11 N 4.1403 8.6301 125.6797 56.0073 37.5252 175.9986 12 Y 4.1012 7.9406 115.6395 60.9176 38.5379 176.6428 13 Y 4.2232 8.1417 120.7795 60.8451 39.0051 179.9121 14 N 4.2881 7.6647 118.5123 52.6487 37.7482 177.4219 *16 V 3.8197 7.9500 119.3513 62.7581 33.7165 176.7543 17 K 3.2939 7.9407 120.7499 59.5403 31.7560 178.4300 18 L 3.9528 8.0731 120.2836 57.8667 41.9671 178.7619 19 A 3.9201 7.8037 120.3009 55.1685 18.3662 179.3871 20 L 3.7885 7.7238 117.5222 57.8863 41.6375 179.8442 21 L 4.0037 7.9466 118.9396 57.8130 41.3174 179.2491 22 E 4.0184 8.1421 118.3686 58.7476 29.7541 178.0800 23 K 4.3202 8.1261 116.7464 55.8243 32.1209 177.5530 24 G 3.7712 7.7089 107.2012 46.4417 0.0000 173.6982 25 L 4.5402 8.0149 119.1808 53.3014 42.9321 176.8902 26 T 4.3066 8.3948 119.5362 63.3320 69.1936 174.0564 27 F 5.2249 8.1319 119.6422 55.7626 41.0602 172.8102 28 E 4.5083 9.0681 121.6879 54.8420 31.4901 174.4987 29 E 5.0579 8.6309 125.9562 55.5155 31.2357 175.6860 30 V 4.2584 8.6190 123.6675 61.0012 34.4397 174.6634 31 T 4.3371 8.4813 125.0954 63.6485 69.3260 173.9182 32 F 4.6418 8.7025 127.3513 57.7868 43.2240 173.8026 33 Y 4.4906 8.2280 122.5691 56.7302 39.4616 177.6950 34 G 3.0434 6.2803 108.7521 48.3872 0.0000 174.5069 35 G 3.7555 9.2572 113.4097 44.9486 0.0000 172.4696 36 Q 4.3707 8.2060 115.9483 55.5267 29.4464 176.6795 37 A 4.1189 7.7136 121.2384 51.4821 20.1063 176.5792 38 P 4.2200 0.0000 0.0000 66.1082 31.2134 179.3259 39 Q 4.0242 8.1075 115.9102 58.7344 28.5836 178.4361 40 A 4.4409 8.0016 121.5939 55.1763 18.5622 179.4674 41 L 4.2219 8.1307 117.1602 57.5436 41.4155 179.3890 42 E 4.1036 7.7112 118.0234 58.4201 29.3394 178.8327 43 V 3.2969 6.7743 117.8290 63.2291 32.1588 175.8625 44 S 4.4620 7.9657 117.0949 55.3837 63.5136 172.5796 45 P 4.3960 0.0000 0.0000 64.3454 31.1895 177.0226 46 R 4.2960 8.0177 116.7607 55.5779 30.7640 176.1022 47 G 3.9061 8.5225 105.4850 46.5954 0.0000 173.9061 48 K 4.5829 7.7470 118.1123 55.2518 33.2790 176.1576 49 V 4.5697 8.0777 119.5464 60.6187 32.9658 173.2734 50 P 5.1660 0.0000 0.0000 61.6519 34.5946 173.7922 51 V 4.7574 8.6778 118.3110 61.1242 34.8917 173.7835 52 L 4.9950 9.0697 130.1707 53.7359 44.0466 174.4090 53 E 4.7103 9.3535 128.3965 55.1102 31.3856 174.9774 54 T 4.9495 8.3459 116.8065 59.2219 71.9496 174.4953 55 E 3.7990 8.9007 121.6198 59.1673 29.3275 176.9958 56 H 4.5933 8.5516 113.1270 54.8564 29.8107 173.5940 57 G 3.5103 6.8718 105.6587 43.5464 0.0000 172.6169 58 F 5.0180 8.1316 118.0974 56.8949 40.2551 175.6393 59 L 4.8431 9.0490 122.4595 52.9971 45.0071 176.3152 60 S 4.9189 8.6242 117.7414 57.3233 66.3277 169.5239 61 E 3.6561 8.0326 126.1415 56.6545 27.7872 175.7241 62 T 3.9474 8.5808 121.6112 66.9204 68.7111 176.2482 63 S 4.2452 8.1071 115.3565 61.4168 63.0164 176.5663 64 V 3.6014 7.6730 121.3174 65.6977 31.3476 177.8672 65 I 3.7438 8.0346 119.8635 64.4757 36.9555 178.3595 66 L 3.9874 8.4068 120.0663 57.9915 41.4761 179.3684 67 D 4.3440 8.0594 118.4857 57.4321 40.7249 178.2616 68 Y 3.9911 8.1401 119.9818 60.7106 38.8352 178.0418 69 I 3.5883 8.1537 121.0745 64.4557 37.0116 178.0397 70 E 3.8650 8.0423 118.8579 59.3041 29.5033 178.3435 71 Q 4.0238 7.9870 119.0516 58.2749 29.2000 177.0531 72 T 4.2493 7.4720 108.4569 60.7249 70.3757 174.3120 73 Q 4.5323 7.2517 120.1503 53.7964 30.8884 175.5173 74 G 3.7165 8.1802 109.6922 45.0139 0.0000 172.0487 75 G 3.7061 8.8257 104.2672 44.0821 0.0000 173.2475 76 K 3.6035 8.5714 118.5838 56.5235 32.1330 175.9684 77 A 4.2022 8.5863 129.2181 52.7304 18.9851 176.7880 78 L 4.6750 9.5040 122.2847 54.0723 42.2255 176.0875 79 L 4.9145 7.3672 116.9224 52.2781 45.5688 174.0111 80 P 4.4685 0.0000 0.0000 62.3785 32.0766 176.2847 81 A 4.1615 8.3753 120.9707 53.8869 18.9785 178.0232 82 D 4.8485 7.7315 116.1899 51.9475 42.3739 175.8734 83 P 4.2477 0.0000 0.0000 65.5215 31.3908 178.9006 84 F 4.1216 8.3076 119.4027 61.2136 39.4096 177.1960 85 G 3.6751 8.7441 105.5576 47.9337 0.0000 175.6826 86 Q 3.9286 8.3013 120.1459 58.6619 28.7112 178.6338 87 A 3.8747 7.8482 121.7999 54.9845 18.3897 179.5779 88 K 3.6925 7.9465 118.4856 59.3971 32.1107 179.1766 89 V 3.5223 7.6628 118.5648 66.1847 31.3955 178.3478 90 R 3.9071 8.0492 117.7260 58.8960 29.7267 178.6553 91 E 3.8975 8.5210 119.7760 59.2848 29.6481 178.9323 92 L 4.1296 7.9527 118.9700 57.6087 41.5806 179.2060 93 L 3.9275 8.2043 120.6497 58.0831 42.0266 178.8966 94 K 3.8471 8.3204 119.8565 59.6200 32.1162 178.5755 95 E 3.9457 8.5298 119.1511 59.4067 29.3221 179.4261 96 I 3.6718 7.9178 119.9196 64.1955 37.0987 178.0022 97 E 3.8921 8.3535 120.3624 59.5268 29.3558 178.9993 98 L 3.8039 7.8303 118.1266 56.7827 41.9681 177.5126 99 Y 4.8561 7.5721 113.8839 57.8562 39.4852 176.1129 100 I 4.0180 7.3888 118.4701 62.5875 39.9007 177.1833 101 E 3.9116 8.5884 120.5750 59.4460 29.5493 178.8903 102 L 4.0093 8.0841 119.3013 57.2315 41.4693 177.8311 103 P 4.2545 0.0000 0.0000 65.6553 31.5171 177.9212 104 A 4.1487 7.8958 120.3556 55.0957 18.3999 179.4855 105 R 2.0000 7.6350 117.2137 59.0041 29.7370 178.6350 106 T 3.9374 7.4490 108.1484 64.0327 68.7931 175.0203 107 C 4.6787 7.9540 118.0874 59.6795 28.7408 174.9625 108 Y 4.3172 8.0650 121.6972 60.4820 36.9507 178.0291 109 A 4.5191 8.4541 121.3105 55.3941 18.0902 179.0103 110 E 4.0573 7.9426 116.0607 59.0814 30.4265 178.3359 111 S 4.1048 8.0754 114.3113 60.5103 62.7328 175.7125 112 F 4.7998 7.9857 119.5117 57.6502 40.8394 176.1136 113 F 4.7799 7.9025 116.0019 56.0043 38.9055 175.3230 114 G 3.7496 8.0341 108.4735 46.1571 0.0000 172.7917 *116 S 4.3618 8.0945 119.3745 58.0508 64.1700 174.1321 117 V 4.3181 8.4301 124.0195 61.0448 33.1630 176.0407 118 E 4.1164 8.4528 123.6730 55.7668 31.0660 176.2815 119 P 4.2344 0.0000 0.0000 66.0066 31.4637 178.7868 120 L 3.9881 7.9680 116.9020 58.0779 41.5854 179.6330 121 I 3.7507 7.6758 119.0826 64.0311 37.1243 178.2244 122 K 3.9515 8.3198 120.7455 59.7523 32.1071 178.8276 123 E 4.0309 8.5073 119.1168 59.0812 29.2597 179.2399 124 K 3.9544 8.1431 119.6599 59.4417 32.2700 178.7575 125 A 4.0344 8.1496 121.1065 55.0012 18.3030 179.5121 126 R 3.9669 8.2590 117.0445 59.6596 30.2239 178.6642 127 A 4.0651 8.0870 120.4688 55.3227 18.3837 179.3652 128 D 4.3608 8.5445 117.8360 57.4563 40.8632 179.0929 129 L 3.9429 8.4992 119.8871 57.7972 41.6578 179.4278 130 L 4.2387 8.2624 118.7225 57.9410 41.4902 179.5940 131 A 4.1163 8.3006 120.7892 54.9651 18.2726 179.8618 132 G 4.0609 8.6596 105.9445 47.6415 0.0000 175.9650 133 F 4.2406 8.7035 120.7113 60.0999 38.9233 177.6736 134 A 4.0009 8.2074 120.5558 55.3548 18.1740 179.8401 135 T 3.8368 8.2742 114.5716 66.7204 68.4873 176.5050 136 L 4.1565 8.2560 122.3996 58.2736 41.8827 179.0208 137 K 4.1331 8.1355 118.7989 59.4400 32.1557 178.7115 138 R 4.1199 8.0766 115.6192 58.6726 29.6549 177.4734 139 N 4.7572 8.2674 116.1571 53.6416 39.8279 175.5336 140 G 3.8118 7.8651 108.8020 45.3480 0.0000 173.5192 141 R 4.2548 8.8886 120.2642 55.8329 31.7943 177.0972 142 F 4.0335 7.4375 114.2579 57.7005 36.2526 175.3935 143 A 4.8034 7.3632 119.7261 51.2853 20.0676 176.0556 144 P 4.8204 0.0000 0.0000 63.9083 32.8285 175.4214 145 Y 4.2921 7.4505 117.2634 57.0742 38.9006 176.4220 146 V 2.2982 8.8250 122.1251 65.6511 31.3543 177.5913 147 A 4.5609 9.0129 118.0529 51.4649 20.5980 176.9265 148 G 4.0212 6.5940 105.9200 45.6042 0.0000 175.4966 149 E 4.9318 8.3887 123.0088 55.9593 30.2779 175.8518 150 Q 4.3732 7.5079 116.8527 52.9891 32.2123 174.9012 151 L 3.3634 7.3615 122.7813 55.4113 42.6295 176.2107 152 T 4.7120 9.1858 114.9051 59.3677 72.4950 174.3460 153 L 3.9125 8.5105 120.4045 58.0421 41.6523 180.1198 154 A 4.0934 7.6071 120.2665 54.9853 18.6139 178.4991 155 D 4.5527 8.2527 116.0236 57.3341 41.1290 178.5031 156 L 4.2256 7.7569 116.1786 55.7054 41.3256 178.4205 *158 F 4.6092 8.1844 122.7455 58.3723 40.7157 176.8934 159 C 3.9241 8.4420 114.3637 60.1440 29.5678 174.6181 160 F 4.8195 7.3999 118.0430 57.5822 39.1665 176.5811 161 S 4.5565 7.4421 114.7498 60.3595 64.1265 176.3731 162 V 3.5756 7.4726 121.0757 65.5340 31.1411 177.4662 163 D 4.3615 7.9130 118.6519 56.8994 38.9479 178.8263 164 L 4.1930 7.9438 120.3418 56.9554 41.6723 179.2364 165 A 4.2236 8.4834 121.1363 55.1710 18.2423 179.2396 166 N 4.5895 8.9245 115.9525 56.5869 38.9604 176.8564 167 A 4.0535 8.2434 122.3618 55.3239 18.4572 179.5154 168 V 3.6136 8.3111 117.0453 66.2232 31.4761 178.3263 169 G 3.7885 8.6838 106.8922 47.2997 0.0000 175.8289 170 K 3.9346 8.0902 120.2925 58.9039 32.1744 179.4754 171 K 4.1148 8.1107 117.6614 59.0079 32.2043 178.3170 172 V 4.0219 7.9959 117.2216 63.7345 32.2005 176.2727 173 L 4.4812 7.7962 116.0481 53.4681 42.9677 175.2128 174 N 4.0924 8.1005 115.9883 54.6246 36.9588 173.8871 175 I 4.1679 7.7251 117.0055 59.3084 40.5173 174.8534 176 D 4.4666 8.1297 125.1865 52.4716 40.0032 176.4917 177 F 4.0517 8.4238 127.0737 60.0840 39.2166 177.9955 178 L 3.9244 8.0500 119.0271 56.3642 41.8842 178.7853 179 A 4.0653 7.7923 121.4522 54.5498 18.2924 177.8175 180 D 5.0264 7.4904 114.5326 54.0157 42.2512 176.8166 181 F 5.0864 8.1876 118.0514 55.2510 39.6288 173.0612 182 P 4.3085 0.0000 0.0000 65.9985 31.5972 178.5223 183 Q 3.8296 8.1621 117.1164 58.7229 28.4753 178.5522 184 A 3.6223 6.9857 121.0274 54.5239 18.6459 179.3020 185 K 3.8195 7.9919 117.9658 59.6444 32.2660 178.9123 186 A 3.9720 8.0882 121.0414 55.0284 18.0738 179.4002 187 L 3.8189 7.5758 117.6719 58.1091 42.2150 178.5779 188 L 4.2526 8.2506 119.8531 58.2127 42.0801 178.4499 189 Q 4.1426 7.8267 118.4158 58.8449 29.2496 178.3703 190 L 4.0339 7.8352 117.9088 56.0766 41.7242 178.5534 *192 G 3.8551 8.0242 107.7461 44.9003 0.0000 174.0781 193 E 4.3467 8.0152 116.7612 56.0130 29.9209 176.1081 194 N 4.4295 7.9547 118.4866 53.0008 39.3885 173.0987 195 P 4.3360 0.0000 0.0000 65.3119 32.5434 176.4933 196 H 4.5935 8.7122 120.2285 54.4115 27.7733 174.1095 *198 P 4.3536 0.0000 0.0000 62.6123 34.0216 179.7507 199 R 3.9012 8.0387 117.2407 59.4656 29.9643 178.3268 200 I 3.7402 7.7444 119.4362 64.5840 37.1116 178.4827 201 L 4.0157 7.9600 118.9675 57.7314 41.5536 179.2984 202 A 4.0197 8.4025 121.1205 55.1371 18.4223 179.4629 203 D 4.3204 8.3722 117.6153 57.2276 40.6800 178.6628 204 K 3.9440 7.9640 119.1090 59.7486 32.2716 178.0029 205 E 4.0649 8.1729 117.7596 59.3149 29.6233 178.3977 206 A 4.1504 8.0898 119.7774 54.0848 19.8577 178.8610 207 S 4.5110 7.7288 116.0387 57.2153 59.7870 173.2891 *209 P 4.3458 0.0000 0.0000 62.5398 33.7655 178.8416 210 A 4.1148 8.1318 119.7339 55.1477 18.4724 178.8282 211 F 4.0234 8.1163 113.4587 59.5791 38.9287 174.8394 *213 E 3.9758 8.0533 118.1185 55.8198 30.7048 177.6556 *215 I 3.8096 7.9520 117.6141 60.8303 38.8259 177.4544 216 R 3.9211 7.8790 117.1886 58.2725 30.1295 176.8343 217 S 4.2928 7.4773 116.3465 58.1818 63.0404 173.7063 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 S 8.33 4.47 0.00 4.00 4.08 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 2 L 7.85 4.25 0.00 1.83 1.72 0.97 0.66 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 3 K 9.03 5.22 0.00 1.95 1.80 0.00 1.98 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 L 9.47 5.12 0.00 1.73 1.71 0.95 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 9.87 4.82 0.00 2.89 2.68 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 0.00 0.00 0.00 6 G 8.30 4.58 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 0.00 0.00 0.00 7 F 6.25 4.63 0.00 2.88 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.41 4.35 0.00 3.90 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 9 V 7.43 3.66 1.76 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 0.60 0.00 0.00 1.03 0.00 0.00 10 S 6.93 3.93 0.00 2.72 2.89 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 11 N 8.63 4.14 0.00 2.95 2.83 0.00 0.00 6.27 7.55 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 12 Y 7.94 4.10 0.00 3.07 3.04 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 13 Y 8.14 4.22 0.00 2.82 2.87 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 14 N 7.66 4.29 0.00 1.95 1.49 0.00 0.00 6.69 7.83 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 *16 V 7.95 3.82 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 0.87 0.00 0.00 0.90 0.00 0.00 17 K 7.94 3.29 0.00 1.28 1.66 0.00 1.70 0.00 0.00 1.53 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.55 7.81 18 L 8.07 3.95 0.00 2.04 1.81 1.03 1.45 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 19 A 7.80 3.92 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 20 L 7.72 3.79 0.00 0.99 1.23 -0.07 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.95 4.00 0.00 1.70 1.31 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.14 4.02 0.00 2.03 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 0.00 2.31 2.39 0.00 23 K 8.13 4.32 0.00 1.83 1.79 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.53 7.81 24 G 7.71 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 25 L 8.01 4.54 0.00 1.76 1.65 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.39 4.31 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 27 F 8.13 5.22 0.00 3.02 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 28 E 9.07 4.51 0.00 2.08 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 2.19 2.23 0.00 29 E 8.63 5.06 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.31 0.00 30 V 8.62 4.26 1.10 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 0.50 0.00 0.00 0.55 0.00 0.00 31 T 8.48 4.34 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 32 F 8.70 4.64 0.00 3.16 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.06 4.32 0.00 3.23 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 0.00 109 A 8.45 4.52 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.94 4.06 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 111 S 8.08 4.10 0.00 3.46 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 0.00 112 F 7.99 4.80 0.00 2.30 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 7.90 4.78 0.00 3.30 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.03 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 *116 S 8.09 4.36 0.00 3.91 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 0.00 117 V 8.43 4.32 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 0.80 0.00 0.00 0.96 0.00 0.00 118 E 8.45 4.12 0.00 2.10 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 2.41 2.47 0.00 119 P 0.00 4.23 0.00 2.16 2.13 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 120 L 7.97 3.99 0.00 1.69 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 121 I 7.68 3.75 2.02 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 1.53 0.90 0.92 0.00 0.00 122 K 8.32 3.95 0.00 1.83 1.99 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.51 7.81 123 E 8.51 4.03 0.00 2.02 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 2.52 2.47 0.00 124 K 8.14 3.95 0.00 2.01 1.97 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.68 7.81 125 A 8.15 4.03 1.42 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 0.00 0.00 0.00 126 R 8.26 3.97 0.00 1.97 2.17 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 127 A 8.09 4.07 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 0.00 128 D 8.54 4.36 0.00 2.78 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 0.00 129 L 8.50 3.94 0.00 1.88 1.31 1.08 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.26 4.24 0.00 1.82 1.84 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.30 4.12 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 0.00 132 G 8.66 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 0.00 133 F 8.70 4.24 0.00 3.16 3.21 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 0.00 134 A 8.21 4.00 1.42 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 0.00 0.00 0.00 135 T 8.27 3.84 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 1.28 0.00 0.00 136 L 8.26 4.16 0.00 2.02 2.23 1.11 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.14 4.13 0.00 1.16 1.77 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.33 1.05 7.81 138 R 8.08 4.12 0.00 2.04 2.06 0.00 3.11 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 139 N 8.27 4.76 0.00 2.86 2.94 0.00 0.00 7.21 7.48 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 0.00 140 G 7.87 3.81 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 0.00 0.00 0.00 141 R 8.89 4.25 0.00 1.79 2.00 0.00 3.34 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 142 F 7.44 4.03 0.00 3.28 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.36 4.80 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.82 0.00 1.89 2.14 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.66 0.00 145 Y 7.45 4.29 0.00 3.19 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.83 2.30 1.83 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 0.64 0.00 0.00 0.42 0.00 0.00 147 A 9.01 4.56 1.20 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 0.00 0.00 148 G 6.59 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 0.00 0.00 0.00 0.00 149 E 8.39 4.93 0.00 2.00 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 2.48 2.31 0.00 150 Q 7.51 4.37 0.00 1.85 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 151 L 7.36 3.36 0.00 0.97 1.25 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 152 T 9.19 4.71 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 1.16 0.00 0.00 153 L 8.51 3.91 0.00 1.72 1.78 0.90 0.96 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 0.00 154 A 7.61 4.09 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 0.00 155 D 8.25 4.55 0.00 2.89 2.82 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 0.00 156 L 7.76 4.23 0.00 1.93 1.79 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *158 F 8.18 4.61 0.00 3.16 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 0.00 159 C 8.44 3.92 0.00 2.84 3.06 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 0.00 160 F 7.40 4.82 0.00 3.02 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 0.00 161 S 7.44 4.56 0.00 3.72 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 0.00 162 V 7.47 3.58 1.31 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 1.09 0.00 0.00 0.62 0.00 0.00 163 D 7.91 4.36 0.00 2.88 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 0.00 164 L 7.94 4.19 0.00 1.90 1.94 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.48 4.22 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 166 N 8.92 4.59 0.00 3.10 2.91 0.00 0.00 7.06 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 0.00 167 A 8.24 4.05 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 8.31 3.61 2.43 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 1.20 0.00 0.00 1.18 0.00 0.00 169 G 8.68 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 0.00 0.00 0.00 170 K 8.09 3.93 0.00 1.73 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 171 K 8.11 4.11 0.00 1.74 1.84 0.00 1.59 0.00 0.00 1.88 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 172 V 8.00 4.02 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 0.79 0.00 0.00 0.90 0.00 0.00 173 L 7.80 4.48 0.00 1.73 1.67 1.15 1.11 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 0.00 174 N 8.10 4.09 0.00 2.74 2.77 0.00 0.00 6.81 7.94 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 0.00 175 I 7.73 4.17 1.02 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 0.98 1.04 0.07 0.00 0.00 176 D 8.13 4.47 0.00 2.56 2.47 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 0.00 177 F 8.42 4.05 0.00 2.56 1.76 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 0.00 0.00 0.00 0.00 178 L 8.05 3.92 0.00 1.74 1.72 0.94 0.84 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 0.00 179 A 7.79 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 7.49 5.03 0.00 2.47 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 0.00 181 F 8.19 5.09 0.00 3.10 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 0.00 182 P 0.00 4.31 0.00 2.31 2.31 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 183 Q 8.16 3.83 0.00 1.42 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 184 A 6.99 3.62 0.31 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 0.00 0.00 0.00 185 K 7.99 3.82 0.00 1.84 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 186 A 8.09 3.97 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 0.00 187 L 7.58 3.82 0.00 1.80 1.73 0.66 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.25 4.25 0.00 1.92 1.90 0.73 0.81 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 0.00 189 Q 7.83 4.14 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.29 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 190 L 7.84 4.03 0.00 1.68 1.70 0.55 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *192 G 8.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 E 8.02 4.35 0.00 2.12 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 2.53 2.38 0.00 194 N 7.95 4.43 0.00 2.72 2.76 0.00 0.00 7.09 7.69 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 0.00 195 P 0.00 4.34 0.00 2.09 2.12 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 196 H 8.71 4.59 0.00 3.35 3.36 0.00 5.65 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 *198 P 0.00 4.35 0.00 2.22 2.15 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 2.02 2.09 0.00 199 R 8.04 3.90 0.00 1.96 2.15 0.00 3.35 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 200 I 7.74 3.74 1.99 0.00 0.00 1.00 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 0.49 0.95 0.00 0.00 201 L 7.96 4.02 0.00 1.89 1.74 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 202 A 8.40 4.02 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 0.00 203 D 8.37 4.32 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 0.00 204 K 7.96 3.94 0.00 1.83 2.04 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.41 7.81 205 E 8.17 4.06 0.00 2.01 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 2.34 2.35 0.00 206 A 8.09 4.15 1.41 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 0.00 0.00 207 S 7.73 4.51 0.00 3.98 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 *209 P 0.00 4.35 0.00 2.10 2.17 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 210 A 8.13 4.11 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 0.00 211 F 8.12 4.02 0.00 3.06 3.18 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 *213 E 8.05 3.98 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 *215 I 7.95 3.81 1.44 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.01 0.59 0.00 0.00 216 R 7.88 3.92 0.00 1.81 1.93 0.00 3.12 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 217 S 7.48 4.29 0.00 3.84 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 * Residues marked with a * may have inaccurate shift predictions.