NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.9344 8.5004 122.2504 52.1058 19.8039 175.8475 3 A 4.3660 8.0985 123.1824 50.2663 23.0069 172.8463 4 L 5.1429 8.7078 120.2628 52.7930 45.7430 173.7323 5 L 4.8819 8.8516 124.6744 53.3594 44.6816 175.5187 6 E 5.0767 8.9898 126.1235 56.5377 30.8744 175.9219 7 S 4.5375 9.1313 115.1781 58.3535 66.4907 175.6301 8 G 3.9506 9.2525 108.3779 45.1966 0.0000 174.1251 9 G 3.7099 7.8271 108.6900 44.4227 0.0000 173.1490 10 G 3.9130 7.4252 106.0326 45.2264 0.0000 170.9027 11 L 4.9144 7.9256 119.5054 54.2412 42.6792 177.1036 12 V 4.5404 9.0316 122.6669 61.1304 35.4664 174.5326 13 K 5.0039 8.5112 125.3532 54.5657 33.5717 174.8409 14 P 4.4837 0.0000 0.0000 64.3899 31.6897 177.4138 15 G 3.9102 9.4568 110.5400 45.5508 0.0000 173.8742 16 G 4.1018 8.0224 108.0862 45.6784 0.0000 172.5636 17 S 5.2022 8.2659 112.9924 56.6614 66.2751 173.2339 18 L 4.5203 8.5477 121.6138 53.6546 45.9543 174.0442 19 K 4.7180 8.4151 125.4876 54.6449 34.2482 175.0866 20 L 4.7994 8.6610 128.4001 53.6232 43.7795 175.9026 21 S 5.4740 9.0732 116.3148 57.0580 67.3009 172.1198 22 C 5.4150 8.8477 120.1457 55.8477 48.1804 173.1623 23 T 5.1389 8.8061 116.2466 60.4427 71.6148 172.8903 24 A 5.0442 8.0326 121.6283 50.7022 22.5626 175.5125 25 S 4.2875 9.0288 114.9253 57.5891 64.9567 175.1005 26 G 3.9103 9.3470 115.0756 45.3070 0.0000 172.5953 27 I 4.4280 7.0375 119.2120 59.6408 40.1837 175.4068 28 T 4.3799 8.5230 122.4672 61.5637 67.8473 173.9970 29 F 4.8157 8.6640 126.4531 60.8244 39.2210 177.9893 30 S 4.2592 8.2391 113.8465 60.9610 63.0941 175.8250 *32 R 4.3525 7.7617 118.4587 56.2495 31.6050 174.0557 *34 Y 5.4119 7.3663 113.5104 58.0884 39.6071 174.6726 35 I 4.4455 8.8594 121.5995 61.0992 37.0299 175.9499 36 M 4.6224 8.7550 127.6331 54.6916 33.7471 175.8713 37 S 5.4519 8.9273 117.0416 56.8543 68.4201 172.7537 38 W 5.4537 9.6636 120.4581 55.3570 32.5684 175.3760 39 V 5.2954 9.3072 116.0912 60.0742 36.3061 174.3168 40 R 5.2437 9.0287 117.6114 54.9285 33.3466 173.9333 41 Q 4.7890 8.8140 117.8884 54.6547 31.3865 174.3225 42 I 4.4844 8.3920 123.8400 59.5713 38.4400 175.0771 43 P 4.7289 0.0000 0.0000 65.7981 31.3124 177.1687 44 E 3.8661 8.0662 117.4501 57.3965 29.5681 177.6562 45 K 3.9804 8.9994 113.4194 57.1053 31.5438 173.5482 46 R 3.9155 8.4149 122.5665 56.1491 28.9680 175.7534 47 L 4.2488 8.1662 124.9357 54.9314 42.4005 176.2238 48 E 4.7322 9.0915 122.8311 53.8283 32.4045 174.8670 49 W 4.6290 9.1551 135.0000 57.9397 30.9845 175.2570 50 V 4.1507 8.1283 125.6818 63.8685 33.4175 175.3445 51 A 4.2188 7.1447 118.1993 51.6534 22.1237 175.4319 52 S 5.3384 8.5834 114.6812 57.2823 68.3814 173.2529 53 I 5.2630 8.9337 122.2980 59.4955 41.4140 175.4705 54 S 4.7949 9.5161 124.9427 57.5463 64.1060 175.0624 55 S 4.1222 8.6878 114.7138 61.3603 62.0833 174.8278 56 G 3.7995 8.1067 106.1992 45.7185 0.0000 174.1743 57 G 3.9802 8.2023 107.7733 45.0909 0.0000 173.9645 58 I 4.0486 7.9648 122.0202 61.2025 38.1513 175.0549 59 T 4.9936 8.2554 116.6650 60.2635 70.9576 173.4120 60 Y 4.8869 8.7770 121.3694 56.6622 41.8770 174.1654 61 Y 4.7458 8.5983 119.2938 55.7866 42.4410 173.2032 62 P 4.8010 0.0000 0.0000 61.7604 33.0249 176.6072 63 D 4.3940 8.8665 119.2899 57.6235 40.8242 179.3076 64 S 4.0707 8.0964 112.2357 60.9361 62.8617 175.2228 65 V 3.8535 7.5645 110.2788 60.8148 33.8076 178.0635 66 A 3.6795 7.1679 123.8970 54.4730 18.5197 178.7015 67 G 3.9832 7.7834 100.5983 45.2768 0.0000 173.3306 68 R 4.5130 8.3369 120.0289 56.2368 32.8679 175.9754 69 F 5.2514 7.9701 116.1687 56.1477 41.4288 175.8611 70 T 4.6724 9.0575 118.7511 61.9615 71.8206 172.6840 71 I 5.0605 9.2627 128.2499 60.0510 39.5020 174.7826 72 S 4.9471 9.0912 122.4052 57.3354 67.1911 172.5267 73 R 5.0875 8.5191 119.3398 55.0208 33.3114 173.9707 74 D 4.8481 9.4448 126.9073 52.6592 41.1429 176.3803 75 N 4.4635 8.9128 124.0293 56.0272 39.1302 177.3845 76 V 3.7699 8.0731 116.9795 65.9482 31.7469 177.1733 77 R 4.0452 8.3555 115.5926 56.2395 30.7742 175.6151 78 N 4.2658 8.0890 115.9101 54.7458 37.4237 173.4945 79 I 5.0132 7.2896 119.1863 59.5191 42.1195 175.6928 80 L 4.9388 8.5598 128.0866 53.5655 44.2005 174.7311 81 Y 5.5463 9.4368 122.9561 56.4198 42.4340 174.8860 82 L 4.3606 8.8503 123.1631 53.5478 44.7356 174.4840 83 Q 4.4356 9.2499 129.1810 55.3286 30.1768 174.1183 84 M 4.3580 8.9516 127.2384 53.7830 34.4406 175.4976 85 S 4.7768 8.3508 117.1612 56.8457 67.7621 173.5627 86 S 3.8357 8.6510 114.3917 59.2463 60.3984 173.4474 87 L 4.3051 8.2150 119.6595 55.3395 42.3922 177.4647 88 R 4.9952 9.3832 121.7185 53.8740 33.3748 177.1308 89 S 4.3156 8.8015 114.8430 61.7390 62.7392 176.1841 90 E 4.2118 8.1530 115.5491 57.3893 29.2649 176.7661 91 D 4.7667 8.1590 119.4026 55.4649 41.5629 176.8165 92 T 4.3631 8.0409 117.1466 63.8287 68.9616 173.7532 93 A 4.2555 8.4200 126.9367 52.0705 24.3925 173.9384 94 L 4.7975 7.9117 120.6080 54.2691 43.6538 175.0571 95 Y 5.0962 9.1650 125.0351 56.8956 39.9814 174.3674 96 Y 5.4109 9.7477 121.6869 56.4226 41.9500 173.7474 97 C 4.1790 10.4427 124.0506 55.2004 46.4692 172.2938 98 A 5.2058 8.7324 127.0564 50.7085 22.9227 175.1361 99 R 4.5787 9.0982 123.6377 54.8263 29.5568 176.7793 100 G 3.7757 8.5237 113.6826 46.9670 0.0000 172.1922 101 Q 4.1278 7.9700 118.9863 56.7235 30.9340 176.5710 102 G 3.6988 8.7460 112.1103 46.7685 0.0000 176.4945 103 R 4.1455 8.8520 128.2938 53.6845 30.0488 172.9406 104 P 5.2006 0.0000 0.0000 62.5844 32.0936 175.6998 105 Y 4.6148 8.5121 120.5839 55.9278 41.8111 174.3981 106 W 6.0611 7.3828 118.3516 54.9168 31.7479 174.9737 107 G 4.4189 8.8917 107.7829 45.6363 0.0000 173.2340 108 Q 4.4153 9.0319 117.5989 56.9691 29.2318 177.6672 109 G 3.6388 9.3787 103.3142 45.5713 0.0000 172.5287 110 T 4.6126 8.1987 114.1614 59.7944 70.9106 172.5906 111 L 4.7356 8.5169 130.5503 54.6771 44.0213 175.2788 112 V 4.6611 9.0226 125.8198 61.5799 34.4723 174.1157 113 T 4.7077 9.0221 126.0751 62.0954 70.5950 174.0864 114 V 4.7705 8.9319 128.8145 61.5662 31.2077 174.4794 115 S 4.7812 9.0461 120.9108 56.8042 66.2008 173.7135 116 A 4.3353 8.5437 123.9315 52.7991 20.2723 177.7708 117 A 3.7978 7.1578 117.7721 52.3253 18.7548 177.3108 118 K 4.1093 8.0664 120.8736 55.8757 32.9156 177.3035 119 T 4.3691 8.3819 118.6691 62.4481 67.7505 173.3001 120 T 4.9510 8.3798 116.8721 59.2540 72.3365 171.5317 121 P 4.6297 0.0000 0.0000 61.7050 32.4307 173.6848 122 P 4.7264 0.0000 0.0000 62.3374 33.0865 175.3940 123 S 4.4364 8.9585 118.8398 57.2138 64.4513 173.1622 124 V 4.5153 7.9376 125.3468 61.4829 32.7391 174.3861 125 Y 5.1162 9.0479 126.2171 55.4268 40.8972 173.3472 126 P 4.7751 0.0000 0.0000 62.7047 32.9270 175.9875 127 A 4.7872 9.8053 125.6166 50.3187 20.1992 174.8586 128 A 5.3524 8.3922 121.5851 49.6721 22.6924 173.9482 129 P 4.3064 0.0000 0.0000 62.9559 32.3582 177.0414 130 G 4.1559 8.3820 120.7031 45.2482 0.0000 174.1221 131 C 4.4330 8.8414 122.1977 57.7146 30.9183 173.3893 132 G 3.6680 10.0793 113.7553 45.1323 0.0000 171.5930 133 D 4.5795 7.2715 117.7752 52.9605 45.4417 175.5337 134 T 3.9229 8.5374 117.8505 62.7920 68.0884 172.7361 135 T 4.5398 7.7893 123.6053 62.0316 71.0298 173.8836 136 G 3.6537 8.5189 111.6180 45.9997 0.0000 174.3749 137 S 4.2281 9.1994 123.9501 58.6574 61.5337 169.8351 138 S 3.7865 8.6231 127.6515 58.2384 61.9735 172.2803 139 V 4.5278 8.8602 124.6228 60.1028 34.6831 174.9082 140 T 4.9228 8.4497 118.6303 62.4035 69.4016 174.0398 141 L 5.0734 8.6337 127.0332 53.3611 45.4899 175.7057 142 G 4.8087 8.6894 106.5975 46.3244 0.0000 171.4868 143 C 5.6475 9.5746 117.1091 54.9737 42.4322 173.1936 144 L 4.9997 9.5123 126.6677 53.6594 43.8028 175.1510 145 V 4.8006 9.0847 126.9100 61.1132 33.7142 174.1974 146 K 5.1572 8.8420 126.8357 55.7277 36.6609 176.7568 147 G 4.0020 9.1017 106.7548 46.2309 0.0000 172.7239 148 Y 5.2358 7.5213 115.2852 53.9387 40.2520 174.0050 149 F 4.7138 7.9395 120.1103 57.5266 41.1058 172.5594 150 P 3.7258 0.0000 0.0000 62.4691 31.1281 175.7686 151 E 3.6843 8.6415 125.6352 59.1592 29.4421 175.9934 152 S 4.1360 7.8899 114.8470 58.5414 62.2553 173.5661 153 V 4.6495 7.8417 123.9420 60.4555 34.4651 174.0917 154 T 4.6104 8.9140 117.5972 60.3396 70.5949 172.3420 155 V 4.7636 8.4847 127.9485 61.5541 33.3418 174.7964 156 T 4.6959 8.7408 123.4573 61.6866 72.8487 173.0551 157 W 4.7779 8.8997 125.6612 54.8983 30.0678 176.5050 158 N 4.1188 9.7393 119.7098 53.4006 36.5968 175.6236 159 S 4.1659 9.0583 112.7503 58.8343 61.0924 171.1894 160 G 4.2605 7.8017 108.1115 44.0626 0.0000 172.1565 161 G 4.0308 7.7597 109.6500 44.1823 0.0000 171.9980 *164 S 4.8666 8.8632 118.7239 58.1222 64.9885 174.3714 165 S 4.6969 7.6119 114.3287 58.0935 63.8721 174.3560 166 V 3.9405 7.6130 119.3607 64.0656 32.7734 175.7450 167 H 4.6411 8.8763 122.3950 54.7067 31.3889 171.2198 168 T 4.6402 8.0512 118.9015 62.2787 69.2364 174.3426 169 F 4.5993 8.7708 126.1755 55.6245 40.1485 174.5617 170 P 4.3180 0.0000 0.0000 62.9355 31.8264 175.8381 171 A 4.6380 8.4270 123.3417 51.8045 19.5457 176.6852 172 L 4.8674 8.9132 121.8077 52.7968 44.8387 175.4209 173 L 4.6510 8.6193 125.1282 54.3000 43.2186 175.6793 174 Q 4.3203 9.0522 127.2129 55.3428 31.3788 174.8980 175 S 3.7630 9.9146 121.9992 59.5331 60.5123 173.6553 176 G 3.9098 8.4925 108.7100 44.8946 0.0000 173.9791 177 L 4.7958 7.5952 119.6956 53.1241 44.1594 175.4078 178 Y 4.9551 8.7574 120.5190 57.6303 39.9016 174.8918 179 T 5.4846 8.9250 118.8794 62.3761 72.9265 172.9422 180 M 5.4178 9.7849 123.3226 53.8159 35.5462 173.8940 181 S 5.4477 8.8081 113.2167 56.9726 67.5662 172.6651 182 S 5.4480 9.0928 114.5224 57.2781 65.7609 172.8409 183 S 5.4509 9.3652 122.1365 56.6973 66.0386 173.3313 184 V 4.7297 9.2338 120.9271 59.1606 35.1384 174.1749 185 T 5.6250 7.8681 110.1252 59.9168 71.5043 173.3737 186 V 4.7055 8.2101 116.7295 59.1023 36.7573 172.3526 187 P 4.7956 0.0000 0.0000 62.5356 32.1296 177.6121 188 S 4.3365 8.8189 115.6940 61.1939 62.5007 176.4099 189 S 4.1670 8.2303 113.9909 60.6872 62.7805 174.5653 190 T 4.5261 8.0178 113.2220 60.9082 68.4889 174.8278 191 W 4.4421 8.4799 131.2112 60.9026 30.9138 175.4654 192 P 4.5441 0.0000 0.0000 63.1649 30.2859 176.1139 193 S 4.3948 7.2758 107.6166 59.3508 64.4431 174.9818 *195 T 3.8087 7.9336 110.2688 61.5882 68.8092 172.8529 196 V 4.3762 7.8803 127.0057 61.2306 33.5050 174.1048 197 T 5.0917 8.5059 122.3046 60.2897 71.0124 169.7206 198 C 4.0465 8.1808 122.6788 53.3282 42.0611 172.4805 199 S 4.6545 9.3655 118.5008 56.5677 64.0613 172.7327 200 V 4.5096 8.8282 128.9929 61.6009 32.6799 174.3618 201 A 4.9903 9.0664 130.4257 50.5303 21.6566 175.6781 202 H 5.0518 8.8933 120.2201 53.8728 30.2071 171.7366 203 P 4.1057 0.0000 0.0000 65.7120 31.3052 179.0076 204 A 4.1196 7.8600 118.7523 53.3699 16.8273 177.1963 205 S 4.5864 8.2234 109.3329 56.3962 63.9006 174.4358 206 G 4.1352 8.7362 107.2551 47.5617 0.0000 173.3974 207 T 4.7521 7.2063 113.5696 61.7919 72.2161 174.1304 208 T 4.8583 8.2737 120.4298 62.6002 72.1129 173.1749 209 V 4.3777 8.8211 127.6389 61.0334 34.1217 174.1316 210 D 5.2815 8.5491 126.2064 52.4329 44.3641 175.1320 211 K 4.4979 8.4705 121.7617 54.4449 35.8121 175.4489 212 K 4.6940 8.6363 125.1594 55.2316 32.7599 176.9457 213 L 4.0320 8.9677 126.7224 56.0948 42.4379 177.4841 214 E 4.1789 8.8363 121.0598 57.0240 29.6953 175.0869 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 2 A 8.50 4.93 0.82 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 0.00 0.00 3 A 8.10 4.37 1.16 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 0.00 0.00 0.00 4 L 8.71 5.14 0.00 1.71 1.61 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.85 4.88 0.00 1.74 1.52 0.96 0.78 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 6 E 8.99 5.08 0.00 1.99 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 0.00 2.73 2.46 0.00 7 S 9.13 4.54 0.00 3.91 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 8 G 9.25 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 9 G 7.83 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.43 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 0.00 0.00 0.00 11 L 7.93 4.91 0.00 1.58 1.69 0.99 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 12 V 9.03 4.54 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 0.93 0.00 0.00 0.88 0.00 0.00 13 K 8.51 5.00 0.00 1.75 1.70 0.00 2.00 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.52 1.31 7.81 14 P 0.00 4.48 0.00 2.04 2.01 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 15 G 9.46 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 0.00 0.00 0.00 16 G 8.02 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 0.00 0.00 0.00 17 S 8.27 5.20 0.00 3.94 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 18 L 8.55 4.52 0.00 1.60 1.23 0.87 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.42 4.72 0.00 1.79 1.59 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.67 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.33 7.81 20 L 8.66 4.80 0.00 0.74 1.30 0.19 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.07 5.47 0.00 3.84 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 22 C 8.85 5.42 0.00 2.87 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 23 T 8.81 5.14 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 1.24 0.00 0.00 24 A 8.03 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 9.03 4.29 0.00 3.75 3.58 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 26 G 9.35 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 0.00 0.00 0.00 27 I 7.04 4.43 1.62 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.39 0.93 0.00 0.00 28 T 8.52 4.38 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 1.18 0.00 0.00 29 F 8.66 4.82 0.00 3.16 3.05 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 30 S 8.24 4.26 0.00 4.05 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 *32 R 7.76 4.35 0.00 0.89 1.57 0.00 3.28 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 *34 Y 7.37 5.41 0.00 2.91 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 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0.00 0.00 110 T 8.20 4.61 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 111 L 8.52 4.74 0.00 1.80 1.50 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 112 V 9.02 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 0.79 0.00 0.00 0.58 0.00 0.00 113 T 9.02 4.71 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 1.34 0.00 0.00 114 V 8.93 4.77 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.04 0.00 0.00 115 S 9.05 4.78 0.00 4.17 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 0.00 116 A 8.54 4.34 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 0.00 117 A 7.16 3.80 0.42 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 0.00 118 K 8.07 4.11 0.00 1.68 1.72 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.34 7.81 119 T 8.38 4.37 4.45 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 1.28 0.00 0.00 120 T 8.38 4.95 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 121 P 0.00 4.63 0.00 2.09 2.12 0.00 3.41 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 122 P 0.00 4.73 0.00 1.85 1.61 0.00 3.66 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 123 S 8.96 4.44 0.00 3.74 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 0.00 124 V 7.94 4.52 1.92 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 0.68 0.00 0.00 0.77 0.00 0.00 125 Y 9.05 5.12 0.00 2.94 2.77 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 0.00 126 P 0.00 4.78 0.00 2.17 2.10 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 127 A 9.81 4.79 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 0.00 128 A 8.39 5.35 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 0.00 129 P 0.00 4.31 0.00 2.09 2.05 0.00 4.08 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 1.94 1.72 0.00 130 G 8.38 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 0.00 0.00 0.00 0.00 131 C 8.84 4.43 0.00 3.07 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 0.00 132 G 10.08 3.67 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 0.00 133 D 7.27 4.58 0.00 2.58 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 0.00 134 T 8.54 3.92 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 1.19 0.00 0.00 135 T 7.79 4.54 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 1.06 0.00 0.00 136 G 8.52 3.65 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 0.00 0.00 0.00 137 S 9.20 4.23 0.00 3.83 3.85 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 0.00 138 S 8.62 3.79 0.00 4.04 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 0.00 139 V 8.86 4.53 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 1.10 0.00 0.00 0.90 0.00 0.00 140 T 8.45 4.92 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 1.25 0.00 0.00 141 L 8.63 5.07 0.00 1.52 1.71 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.69 4.81 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 0.00 143 C 9.57 5.65 0.00 2.86 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 0.00 144 L 9.51 5.00 0.00 1.87 1.87 1.04 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 145 V 9.08 4.80 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 0.76 0.00 0.00 0.88 0.00 0.00 146 K 8.84 5.16 0.00 1.96 2.01 0.00 1.63 0.00 0.00 2.03 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.58 7.81 147 G 9.10 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 0.00 0.00 0.00 148 Y 7.52 5.24 0.00 3.16 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 0.00 149 F 7.94 4.71 0.00 3.00 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 0.00 150 P 0.00 3.73 0.00 2.18 2.14 0.00 4.22 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 151 E 8.64 3.68 0.00 1.16 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 2.03 1.69 0.00 152 S 7.89 4.14 0.00 3.97 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 0.00 153 V 7.84 4.65 1.89 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 0.64 0.00 0.00 0.66 0.00 0.00 154 T 8.91 4.61 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 1.18 0.00 0.00 155 V 8.48 4.76 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 0.71 0.00 0.00 0.90 0.00 0.00 156 T 8.74 4.70 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 1.26 0.00 0.00 157 W 8.90 4.78 0.00 3.26 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 0.00 158 N 9.74 4.12 0.00 2.95 2.96 0.00 0.00 7.28 7.57 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 0.00 159 S 9.06 4.17 0.00 4.08 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 0.00 160 G 7.80 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 0.00 0.00 0.00 0.00 161 G 7.76 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 *164 S 8.86 4.87 0.00 3.87 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 0.00 165 S 7.61 4.70 0.00 3.76 3.97 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 0.00 166 V 7.61 3.94 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 0.79 0.00 0.00 0.80 0.00 0.00 167 H 8.88 4.64 0.00 3.10 2.59 0.00 5.68 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 8.05 4.64 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 1.26 0.00 0.00 169 F 8.77 4.60 0.00 3.15 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 0.00 170 P 0.00 4.32 0.00 2.12 2.04 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 171 A 8.43 4.64 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 0.00 172 L 8.91 4.87 0.00 1.66 1.62 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.62 4.65 0.00 1.66 1.56 -0.05 0.51 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 0.00 174 Q 9.05 4.32 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.04 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 175 S 9.91 3.76 0.00 4.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.49 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 0.00 0.00 0.00 177 L 7.60 4.80 0.00 1.64 1.51 0.90 1.08 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 0.00 178 Y 8.76 4.96 0.00 1.76 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 0.00 0.00 0.00 179 T 8.93 5.48 4.33 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 1.34 0.00 0.00 180 M 9.78 5.42 0.00 2.24 2.45 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 181 S 8.81 5.45 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 S 9.09 5.45 0.00 4.15 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 0.00 183 S 9.37 5.45 0.00 3.98 4.15 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 0.00 184 V 9.23 4.73 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 0.08 0.00 0.00 0.48 0.00 0.00 185 T 7.87 5.62 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 1.17 0.00 0.00 186 V 8.21 4.71 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 0.77 0.00 0.00 1.02 0.00 0.00 187 P 0.00 4.80 0.00 2.25 2.19 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 188 S 8.82 4.34 0.00 3.96 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 0.00 189 S 8.23 4.17 0.00 4.05 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 0.00 190 T 8.02 4.53 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 1.34 0.00 0.00 191 W 8.48 4.44 0.00 3.46 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.54 0.00 2.29 2.32 0.00 3.92 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 193 S 7.28 4.39 0.00 3.96 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 *195 T 7.93 3.81 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 1.15 0.00 0.00 196 V 7.88 4.38 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 1.29 0.00 0.00 0.78 0.00 0.00 197 T 8.51 5.09 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 1.21 0.00 0.00 198 C 8.18 4.05 0.00 1.53 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 0.00 199 S 9.37 4.65 0.00 3.92 3.73 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 0.00 200 V 8.83 4.51 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 0.78 0.00 0.00 0.76 0.00 0.00 201 A 9.07 4.99 1.16 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 0.00 0.00 0.00 202 H 8.89 5.05 0.00 3.01 3.06 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 P 0.00 4.11 0.00 2.21 2.31 0.00 3.69 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 2.01 1.97 0.00 204 A 7.86 4.12 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 0.00 205 S 8.22 4.59 0.00 4.03 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 0.00 206 G 8.74 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 0.00 207 T 7.21 4.75 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 1.18 0.00 0.00 208 T 8.27 4.86 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 1.25 0.00 0.00 209 V 8.82 4.38 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 0.68 0.00 0.00 0.85 0.00 0.00 210 D 8.55 5.28 0.00 2.45 2.41 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 0.00 211 K 8.47 4.50 0.00 1.59 1.62 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.31 7.81 212 K 8.64 4.69 0.00 1.59 1.70 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.41 7.81 213 L 8.97 4.03 0.00 1.46 1.67 1.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 214 E 8.84 4.18 0.00 2.09 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 0.00 2.46 2.71 0.00 * Residues marked with a * may have inaccurate shift predictions.