NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8480 8.2127 108.0142 46.3506 0.0000 174.0840 4 V 4.6916 8.4744 127.0855 59.4864 32.7185 173.0039 5 T 4.8894 8.4527 118.8532 59.9977 71.8501 172.7788 6 Q 5.2662 8.4844 121.1299 55.2267 31.8171 173.7612 7 T 4.8387 8.8151 110.7334 59.5331 72.8636 172.0759 8 P 4.8443 0.0000 0.0000 62.2927 33.2303 175.5661 9 K 3.9796 8.3644 117.8207 58.1353 33.2126 176.3450 10 F 5.5240 7.4341 115.0461 54.8631 43.2401 174.2326 11 Q 4.6584 8.4273 119.6715 55.1962 32.3682 172.8386 12 V 5.0529 8.4700 125.2099 61.2992 34.1634 174.4523 13 L 5.0720 9.1641 128.1506 53.9206 46.7582 175.5308 14 K 4.9733 9.9747 126.1266 53.5743 34.2343 175.6097 15 T 4.1638 8.7488 122.5818 66.8213 68.1301 173.0620 16 G 3.8851 8.5045 115.8502 45.3932 0.0000 173.4624 17 Q 4.2855 8.5872 120.0947 55.9695 30.3199 175.1900 18 S 5.2560 8.4004 116.9270 56.5383 64.5506 173.4182 19 M 4.7541 8.7666 124.4860 53.8001 35.5923 174.2269 20 T 4.8040 8.2391 118.4674 60.1935 70.3015 172.9866 21 L 4.2964 8.5571 130.7198 54.2255 42.9596 176.3163 22 Q 4.8079 9.0971 124.4855 55.4857 30.5170 174.3994 23 C 5.5667 8.9548 122.3688 54.9718 45.1672 172.3488 24 A 5.4655 9.2707 126.6904 50.5973 22.8273 174.3958 25 Q 4.9436 9.1455 120.1506 54.2391 32.5570 174.3945 26 D 4.9505 8.1177 124.5805 53.6773 39.7463 176.3869 27 M 4.3636 8.1884 116.3215 55.2138 32.2752 175.5968 28 N 4.1948 7.9378 114.1786 54.5834 36.3290 173.9413 29 H 4.8913 9.5370 114.4240 55.2520 29.8872 175.5980 30 E 4.5252 8.6524 120.2644 56.3219 31.6038 174.7263 31 Y 5.0249 8.3539 122.0295 56.3086 40.4100 173.8987 32 M 5.0443 8.8809 126.4013 53.6535 35.4409 175.4275 33 S 5.4273 9.4395 117.2354 56.8497 68.2664 172.8382 34 W 5.2338 9.0854 121.3987 55.3246 32.0043 174.5022 35 Y 5.5871 9.7861 121.5720 56.1865 42.1204 174.5350 36 R 4.7891 8.8522 117.1704 54.4396 32.6379 173.7175 37 Q 5.6532 8.9523 124.6451 53.7801 31.0926 174.3507 38 D 4.9691 8.4457 124.8740 51.6548 44.8101 174.5845 39 P 4.2411 0.0000 0.0000 65.8980 31.0416 177.4553 40 G 3.8749 7.9936 105.3365 46.5115 0.0000 173.7842 41 M 4.6725 7.8528 116.3684 53.8260 35.4256 177.4893 42 G 3.9371 8.3607 107.6679 46.1851 0.0000 173.9508 43 L 4.6907 8.3080 124.3296 54.0948 42.7899 176.2177 44 R 4.7902 8.6583 121.0890 54.2834 34.3941 174.3815 45 L 4.1725 8.8786 126.4048 55.6496 43.1695 176.2843 46 I 4.1675 8.7158 126.0596 62.9550 39.2438 175.2020 47 H 5.6836 8.0279 117.0364 55.0918 33.4286 171.7239 48 Y 5.6151 9.1414 117.9495 56.3493 42.2556 173.8619 49 S 4.4885 8.9650 115.0208 56.5744 65.2459 174.9932 50 V 3.3881 8.4006 120.3641 61.9869 31.9286 175.7797 51 G 3.8224 7.1050 107.1368 43.8990 0.0000 172.5887 52 A 4.2243 8.5007 122.7167 53.7067 18.4897 178.4543 53 G 3.9204 9.2036 111.8715 45.1742 0.0000 173.3060 54 I 4.2882 7.5139 121.3713 59.6862 38.3633 174.3440 55 T 4.8159 8.1418 119.4447 60.3144 70.5742 172.3089 56 D 4.9123 8.6834 126.4727 52.3126 45.1224 174.5905 57 Q 4.6657 8.9904 122.2566 55.6035 29.5674 177.0983 58 G 4.1886 8.5295 107.1486 46.9381 0.0000 174.9488 59 E 4.2191 9.0381 124.0075 58.1021 30.0485 177.0519 60 V 4.7471 7.7051 110.6768 59.3380 30.6230 174.3598 61 P 4.5468 0.0000 0.0000 64.0699 32.5866 178.1818 62 N 4.3463 8.1452 119.4463 54.9510 38.7693 175.1716 63 G 3.5886 8.7212 112.2324 45.2862 0.0000 172.0637 *65 Y 5.0589 7.2747 115.6257 58.0298 39.2032 173.9630 66 N 5.2447 9.1629 121.5158 52.1043 42.4724 173.3887 67 V 4.9215 7.9055 121.2547 60.7964 34.2421 172.7278 68 S 4.7397 8.2174 116.3107 57.3773 66.8075 174.7067 69 R 4.9357 8.0461 117.8884 55.9256 29.8998 175.1935 70 S 4.1405 8.4284 117.4057 60.1978 63.8605 175.0200 71 T 4.6574 7.6423 108.8026 59.6025 71.2116 173.4849 72 T 4.2890 8.2111 110.0415 62.8169 69.7610 175.7600 73 E 4.3653 8.1566 122.0072 58.3866 30.6972 176.1697 74 D 5.4932 7.5036 116.4513 52.4632 44.0824 177.1188 75 F 5.5084 8.4253 119.6618 57.1107 39.8907 171.6696 76 P 4.6588 0.0000 0.0000 62.9127 32.9102 176.3410 77 L 4.2960 8.4705 126.8161 53.3291 43.5368 174.9749 78 R 4.9276 8.9345 126.5816 54.3937 33.6251 174.2822 79 L 4.8448 8.7446 124.7326 53.2291 44.3822 177.5089 80 L 3.7943 8.6867 124.5060 57.3230 42.0368 176.8142 81 S 4.9062 7.5736 117.5857 55.5052 64.2317 171.8963 82 A 4.3392 8.8979 128.3571 52.5247 19.4493 175.9491 83 A 4.9959 8.7469 121.9093 49.3023 21.9992 175.6194 84 P 4.4444 0.0000 0.0000 65.5617 31.9380 178.1243 85 S 4.3482 8.0539 112.3020 60.9848 63.3926 175.5905 86 Q 4.3669 8.2589 118.3676 56.5278 27.9281 175.6547 87 T 4.5121 7.7353 116.6275 63.2980 69.0124 174.5653 88 S 4.5419 7.9188 120.2982 58.4504 67.6496 174.7134 89 V 4.6657 7.2397 119.8216 61.8717 33.4858 175.0105 90 Y 5.0978 8.9161 126.1655 56.4861 40.0193 174.5656 91 F 5.3318 9.3394 123.6808 56.0142 41.6762 174.4925 92 C 4.4696 8.7742 122.5930 55.5620 44.1125 171.7785 93 A 5.6433 8.5530 123.3005 51.7162 22.7038 175.4023 94 S 5.0965 8.2495 112.7756 56.9865 67.1102 173.0342 95 R 4.5774 9.4663 120.0475 53.8099 34.2430 174.4735 96 P 3.9040 0.0000 0.0000 63.9879 32.0765 177.2171 97 G 4.0486 8.2248 107.7350 46.2499 0.0000 174.6028 98 L 4.3424 8.5915 125.1888 55.2342 41.4914 177.2531 99 A 4.4523 7.6478 123.1282 52.9773 19.7077 178.0798 100 G 4.2706 7.6246 102.5237 44.0849 0.0000 172.9711 101 G 3.6526 8.5438 108.7049 47.2603 0.0000 174.3729 102 R 3.9650 7.8839 118.8911 55.6852 29.6822 174.7024 103 P 4.2592 0.0000 0.0000 64.0074 31.9189 176.1855 *105 E 3.8283 7.8159 118.2464 56.2674 30.4827 174.4444 106 Q 4.3277 8.0201 123.7302 54.6643 30.9026 173.9726 107 Y 5.0263 8.3160 123.0990 56.3944 40.9159 175.2594 108 F 5.0186 9.0810 121.7345 56.3677 40.7121 175.4394 109 G 4.1767 9.0848 109.1908 44.2690 0.0000 173.2368 110 P 4.4908 0.0000 0.0000 63.8459 31.5375 177.8503 111 G 3.7527 7.9366 102.0024 45.5809 0.0000 172.5134 112 T 4.5098 8.2285 111.1951 59.4547 72.0489 172.5600 113 R 4.6277 8.7099 126.5813 54.7287 31.7750 174.5410 114 L 5.3610 8.9432 128.0439 53.6507 45.6800 175.1062 115 T 4.9327 8.9320 120.9608 61.7928 72.7632 172.8724 116 V 4.9595 8.8648 125.7488 61.6171 33.8479 174.9725 116A T 4.8940 9.0579 124.6119 61.9479 71.4726 174.9928 117 E 4.3094 8.6930 119.1775 56.7460 30.4861 175.9059 118 D 4.2669 7.6494 115.7064 53.6443 43.3703 175.8759 119 L 4.1627 8.6081 128.0860 57.5449 41.8461 179.5439 120 K 4.3033 8.1401 114.0738 57.5994 31.4092 176.8362 121 N 4.9712 7.7248 115.6521 53.0063 39.5282 175.2456 122 V 4.4351 8.4127 119.5835 62.2784 30.9471 174.6203 123 F 4.9998 8.9684 126.1653 54.7966 42.1170 173.6720 124 P 3.0493 0.0000 0.0000 61.0008 32.4743 173.8839 125 P 4.8401 0.0000 0.0000 62.8348 32.9788 175.9649 126 E 4.5417 8.7990 120.0836 54.4188 30.9624 175.4939 127 V 4.2663 8.4291 123.6556 62.1199 32.6817 175.0063 128 A 4.5421 8.3400 126.7430 50.8790 22.5259 175.0670 129 V 4.3553 8.2552 122.2399 61.3609 33.7828 175.0077 130 F 4.7500 8.9601 125.5203 55.3839 41.2083 174.8993 131 E 4.1632 9.0052 124.1020 55.4799 30.0966 175.4359 132 P 4.4885 0.0000 0.0000 62.1103 32.0086 176.4725 133 S 4.3200 8.5903 116.7608 57.9797 64.1434 175.0849 134 A 4.1349 8.7941 126.4875 55.7789 18.1443 180.3513 135 E 3.9180 8.2857 116.5724 61.7037 29.7213 181.4708 136 E 4.2163 8.1829 122.4635 59.4621 29.6415 179.3319 137 I 3.8910 7.6839 120.6323 65.2144 35.2668 180.4572 138 S 4.5551 7.8509 114.4511 60.8572 63.4869 175.7560 139 H 4.4092 8.2319 121.3216 58.2101 29.6981 175.6904 140 T 4.4452 7.7044 107.7033 60.1177 70.3157 174.2778 141 Q 4.3791 8.2381 119.1664 56.1180 26.2634 172.4447 142 K 5.1068 7.8831 114.9098 54.4938 36.2433 175.5723 143 A 4.4875 10.1524 123.9548 50.4076 22.0769 175.1704 144 T 4.5902 8.1690 118.9655 61.8522 70.8508 173.5363 145 L 4.4383 8.5394 127.8758 53.1929 43.8531 175.8879 146 V 4.9675 8.3475 123.5921 61.4619 33.6737 174.4788 147 C 5.2936 9.3737 128.7766 56.1133 41.8564 173.0980 148 L 4.6485 8.3408 119.3200 54.2343 45.2425 174.2265 149 A 4.7766 9.1724 128.1118 51.0268 20.6135 176.0576 150 T 4.9079 7.7728 110.8106 60.5264 72.4647 175.7962 151 G 3.9788 9.4058 110.4229 46.5984 0.0000 174.4532 152 F 4.5611 7.9211 115.7039 57.0647 38.8917 173.2151 153 Y 4.5242 9.1924 126.6553 58.2476 37.9165 173.8875 154 P 3.3907 0.0000 0.0000 62.9371 32.3267 178.4709 155 D 4.6894 7.9553 127.3463 53.6733 37.6825 177.8887 156 H 4.5554 7.7267 117.3426 54.9333 29.8781 175.1504 157 V 4.7381 7.6445 114.0613 59.8003 36.2428 174.0880 158 E 4.6013 9.0114 121.9532 54.7979 32.6098 174.5782 159 L 5.1498 8.5481 126.9763 53.9342 43.8933 175.4923 160 S 4.7604 9.2622 118.2844 57.0797 66.9404 172.7341 161 W 5.2691 8.6415 119.9696 55.2246 32.3179 175.6383 162 W 5.3986 9.4414 122.1617 55.6127 31.8977 173.8581 163 V 4.4187 8.8795 118.6946 60.9518 32.8963 176.4642 164 N 4.1919 10.2274 122.7425 54.1351 36.7219 175.5865 165 G 4.0964 9.1089 108.2836 45.6009 0.0000 174.8887 166 K 4.8215 8.2164 121.3083 52.1009 35.0863 180.8868 167 E 4.3922 8.0854 123.2736 55.0211 30.0412 176.3718 168 V 4.4013 7.8320 118.0427 60.1977 34.1233 175.2627 169 H 5.0323 8.3615 116.6179 55.5172 32.0105 174.4033 170 S 4.6931 7.8306 122.3679 58.3648 61.5176 177.4609 171 G 4.0326 8.9030 117.3545 46.3573 0.0000 172.3611 172 V 5.1749 8.4364 120.8026 60.8386 33.8870 175.9363 173 S 4.7880 8.2399 113.9383 58.2408 64.2616 174.4830 174 T 4.9304 8.5102 117.0433 60.3789 70.4731 174.3615 175 D 4.5378 8.7515 124.1039 54.5478 41.2589 175.7002 176 P 4.4450 0.0000 0.0000 65.1406 31.8043 176.7634 177 Q 4.5797 7.6476 116.0445 53.4154 32.0338 171.7941 178 P 4.8304 0.0000 0.0000 63.0837 32.4293 174.8678 179 L 4.9480 9.1715 124.1824 53.9603 45.4612 175.7693 180 K 4.2375 8.5276 128.0976 54.3954 31.7740 176.4785 181 E 4.0431 8.5986 124.9032 56.9652 30.7767 176.5385 182 Q 4.7177 7.5269 117.9853 52.7338 29.0432 173.9015 183 P 4.1505 0.0000 0.0000 64.6619 32.1272 176.9016 184 A 4.6847 7.6044 120.8583 51.4828 19.2719 175.5495 185 L 4.8131 7.4671 119.6109 54.8546 46.1710 176.2227 186 N 5.0284 8.7692 115.9398 53.7601 40.6632 175.0256 187 D 4.8470 7.7449 116.2834 52.1781 40.9596 180.8356 188 S 4.5979 7.8251 115.3201 57.6758 64.2160 174.5397 189 R 4.5757 8.2722 125.0612 56.2646 31.7882 174.4891 190 Y 5.6444 9.0513 118.0865 55.4959 42.0916 174.4420 191 A 5.1526 8.1976 119.8498 50.7792 22.9544 174.9395 192 L 5.1169 10.2141 123.8282 53.3877 45.7098 175.3278 193 S 5.3579 8.5842 119.6477 57.1446 65.6103 172.4359 194 S 5.1813 8.3755 116.3292 57.4338 65.9077 173.0275 195 R 5.0930 8.9215 124.1730 54.2833 33.6612 174.6001 196 L 4.4137 8.6205 124.7620 53.1564 44.6455 174.7198 197 R 4.9288 8.5358 127.7977 54.7381 32.3695 175.2301 198 V 4.7170 8.7190 118.1986 59.5307 37.1825 174.5332 199 S 4.5147 8.8090 116.3923 58.0192 64.0135 174.7778 200 A 4.1815 8.9270 128.4096 56.0683 17.0658 179.6973 201 T 3.9587 8.4495 106.0368 65.4969 68.1940 175.8385 202 F 4.4716 8.3539 121.7367 59.7692 39.6199 176.2017 203 W 4.8071 8.3290 126.6994 58.7432 30.5975 176.6734 204 Q 5.0771 7.7524 117.4181 54.2612 28.7233 174.9320 205 N 4.5190 7.1888 119.3767 51.6524 38.3782 173.4295 206 P 4.8193 0.0000 0.0000 65.6916 31.4594 178.6382 207 R 4.1974 8.0877 114.1078 57.4338 29.7712 179.1760 208 N 4.7798 8.3862 116.4793 53.5522 40.0046 173.5300 209 H 3.9310 8.7916 124.2640 53.8281 32.3145 172.6924 210 F 5.4495 8.0350 124.2111 55.7596 41.9052 174.6435 211 R 4.9649 8.9576 122.4920 54.7879 33.7506 173.0608 212 C 4.5341 8.8519 126.6942 54.9079 40.7406 171.6605 213 Q 4.3435 8.9792 129.0924 54.9749 30.4087 174.4916 214 V 4.6256 8.3412 126.1475 60.9693 34.3065 173.9651 215 Q 4.1922 9.0515 131.4285 55.5475 30.3073 174.1829 216 F 5.1840 9.0818 129.3727 56.5036 42.3093 173.3156 217 Y 4.5111 7.3144 123.6782 55.0795 39.1544 174.1242 218 G 4.0528 8.9857 115.3587 45.6108 0.0000 174.7127 219 L 4.5210 9.1776 128.4908 54.2930 43.1922 174.3612 220 S 4.9845 8.5204 116.3101 57.1375 64.0985 175.5580 221 E 4.0349 9.2311 124.0904 59.2027 29.8064 178.9000 222 N 4.4954 8.0669 113.3305 55.8989 37.8704 180.4554 223 D 4.4276 7.7419 123.0133 54.7035 40.8904 177.7793 224 E 4.1917 8.7144 120.5412 55.6140 30.3742 172.9244 225 W 4.8653 8.7515 133.5969 56.2558 33.0232 175.4613 226 T 4.3548 7.7512 118.8565 59.4362 68.0393 169.6496 227 Q 4.4498 7.7223 126.9491 54.6835 32.5283 176.1948 228 D 4.5875 8.7706 119.1238 54.6007 40.0553 176.6930 229 R 4.7475 7.4770 114.1584 55.2345 32.0124 174.9389 230 A 4.3552 8.2252 120.2146 50.6831 19.7422 177.0864 231 K 2.4800 8.3863 123.4328 55.8278 32.9652 176.3603 232 P 4.4649 0.0000 0.0000 62.8447 28.7608 175.9024 233 V 4.2946 7.2089 112.6507 61.7251 33.4134 177.9407 234 T 4.1513 8.0773 119.1692 64.1683 68.6422 174.0762 235 Q 4.5066 8.9444 123.3555 54.8470 33.1960 174.1005 236 I 4.5968 8.1517 119.7524 59.4339 38.4183 174.9810 237 V 3.9685 8.1510 127.5550 62.3178 32.8032 174.9357 238 S 5.2015 8.6721 121.5431 55.9395 67.5203 172.3008 239 A 4.8324 8.1326 120.9320 51.1889 22.8692 174.5217 240 E 5.2719 8.2975 115.5836 56.1427 33.0611 173.7946 241 A 4.6157 7.9489 117.3670 51.4865 22.1012 175.5454 242 W 5.0272 9.1735 119.6712 54.5201 32.7461 176.5784 243 G 3.0732 8.8345 108.7573 45.9157 0.0000 173.9994 244 R 4.1938 7.0912 125.8577 55.6406 30.9911 178.3267 245 A 3.8952 8.7467 122.3688 55.9076 18.8943 177.6186 246 D 4.6887 7.5304 118.5462 54.0424 40.4709 176.8301 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 3 G 8.21 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 0.00 0.00 0.00 4 V 8.47 4.69 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 5 T 8.45 4.89 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 1.21 0.00 0.00 6 Q 8.48 5.27 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 7 T 8.82 4.84 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 1.22 0.00 0.00 8 P 0.00 4.84 0.00 2.33 2.12 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 9 K 8.36 3.98 0.00 1.66 1.41 0.00 1.39 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.66 1.16 7.81 10 F 7.43 5.52 0.00 2.49 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 11 Q 8.43 4.66 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 12 V 8.47 5.05 2.14 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 1.00 0.00 0.00 0.94 0.00 0.00 13 L 9.16 5.07 0.00 1.61 1.49 0.89 1.02 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 14 K 9.97 4.97 0.00 1.35 1.66 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.27 7.81 15 T 8.75 4.16 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 16 G 8.50 3.89 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 0.00 0.00 0.00 17 Q 8.59 4.29 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 18 S 8.40 5.26 0.00 3.71 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 19 M 8.77 4.75 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 20 T 8.24 4.80 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 1.18 0.00 0.00 21 L 8.56 4.30 0.00 1.08 1.55 0.56 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 9.10 4.81 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 23 C 8.95 5.57 0.00 2.86 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 24 A 9.27 5.47 1.27 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 25 Q 9.15 4.94 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.33 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 26 D 8.12 4.95 0.00 2.61 2.67 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 27 M 8.19 4.36 0.00 1.81 1.63 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 28 N 7.94 4.19 0.00 2.85 2.89 0.00 0.00 7.04 8.16 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 29 H 9.54 4.89 0.00 3.13 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.65 4.53 0.00 2.09 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 2.20 2.22 0.00 31 Y 8.35 5.02 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.88 5.04 0.00 1.98 1.45 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 33 S 9.44 5.43 0.00 3.52 3.40 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 34 W 9.09 5.23 0.00 3.41 2.96 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 35 Y 9.79 5.59 0.00 3.22 2.96 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 36 R 8.85 4.79 0.00 1.14 1.47 0.00 2.73 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 37 Q 8.95 5.65 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 38 D 8.45 4.97 0.00 2.67 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 39 P 0.00 4.24 0.00 2.19 2.25 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 40 G 7.99 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 0.00 0.00 0.00 41 M 7.85 4.67 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 42 G 8.36 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.31 4.69 0.00 1.56 1.50 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0.00 3.53 0.00 0.00 2.98 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 70 S 8.43 4.14 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.64 4.66 4.44 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 1.23 0.00 0.00 72 T 8.21 4.29 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 1.20 0.00 0.00 73 E 8.16 4.37 0.00 2.02 2.05 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 2.40 2.41 0.00 74 D 7.50 5.49 0.00 2.73 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 75 F 8.43 5.51 0.00 2.92 2.96 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 76 P 0.00 4.66 0.00 2.15 2.39 0.00 4.08 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 2.12 2.03 0.00 77 L 8.47 4.30 0.00 0.27 0.13 0.48 -0.73 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 0.00 2.32 1.96 0.00 136 E 8.18 4.22 0.00 1.97 2.07 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 2.42 2.27 0.00 137 I 7.68 3.89 1.87 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 1.58 0.56 0.91 0.00 0.00 138 S 7.85 4.56 0.00 4.07 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 0.00 139 H 8.23 4.41 0.00 3.29 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.70 4.45 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 1.12 0.00 0.00 141 Q 8.24 4.38 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 142 K 7.88 5.11 0.00 1.54 1.61 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.57 7.81 143 A 10.15 4.49 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 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 0.00 161 W 8.64 5.27 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 0.00 162 W 9.44 5.40 0.00 3.27 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 0.00 163 V 8.88 4.42 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 1.19 0.00 0.00 1.10 0.00 0.00 164 N 10.23 4.19 0.00 2.83 2.89 0.00 0.00 7.25 7.52 0.00 0.00 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 G 9.11 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 0.00 166 K 8.22 4.82 0.00 1.64 1.63 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.20 7.81 167 E 8.09 4.39 0.00 1.16 1.12 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 1.73 1.82 0.00 168 V 7.83 4.40 2.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 S 8.38 5.18 0.00 4.03 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 0.00 195 R 8.92 5.09 0.00 1.81 1.66 0.00 3.19 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 196 L 8.62 4.41 0.00 0.27 0.13 0.48 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 197 R 8.54 4.93 0.00 1.71 1.59 0.00 3.01 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 198 V 8.72 4.72 2.30 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 0.74 0.00 0.00 0.97 0.00 0.00 199 S 8.81 4.51 0.00 4.08 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 0.00 200 A 8.93 4.18 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 T 8.45 3.96 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 202 F 8.35 4.47 0.00 3.13 3.42 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 0.00 203 W 8.33 4.81 0.00 3.50 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 0.00 204 Q 7.75 5.08 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 205 N 7.19 4.52 0.00 2.60 2.44 0.00 0.00 7.14 7.59 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 0.00 206 P 0.00 4.82 0.00 1.99 2.02 0.00 3.70 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 207 R 8.09 4.20 0.00 1.85 1.83 0.00 3.26 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 208 N 8.39 4.78 0.00 2.35 1.91 0.00 0.00 6.34 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 0.00 209 H 8.79 3.93 0.00 1.40 2.42 0.00 5.54 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 F 8.04 5.45 0.00 3.17 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 0.00 211 R 8.96 4.96 0.00 1.81 1.80 0.00 2.96 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 212 C 8.85 4.53 0.00 2.04 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.98 4.34 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 214 V 8.34 4.63 2.08 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 0.67 0.00 0.00 0.78 0.00 0.00 215 Q 9.05 4.19 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.23 1.51 0.00 216 F 9.08 5.18 0.00 2.94 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 0.00 217 Y 7.31 4.51 0.00 2.33 2.69 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 0.00 218 G 8.99 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 0.00 0.00 0.00 219 L 9.18 4.52 0.00 1.60 1.79 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 220 S 8.52 4.98 0.00 3.93 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 0.00 221 E 9.23 4.03 0.00 2.02 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 2.24 1.90 0.00 222 N 8.07 4.50 0.00 2.78 2.75 0.00 0.00 6.96 7.34 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 0.00 223 D 7.74 4.43 0.00 2.78 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 0.00 224 E 8.71 4.19 0.00 1.98 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 1.87 0.00 225 W 8.75 4.87 0.00 3.31 2.91 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 0.00 226 T 7.75 4.35 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 227 Q 7.72 4.45 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.95 0.00 0.00 0.00 0.00 0.00 1.17 1.16 0.00 228 D 8.77 4.59 0.00 2.70 2.57 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 0.00 229 R 7.48 4.75 0.00 2.02 2.13 0.00 3.18 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 230 A 8.23 4.36 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 0.00 231 K 8.39 2.48 0.00 1.47 1.54 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 1.13 7.81 232 P 0.00 4.46 0.00 2.03 1.87 0.00 2.20 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.15 0.00 233 V 7.21 4.29 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 0.64 0.00 0.00 0.87 0.00 0.00 234 T 8.08 4.15 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 1.05 0.00 0.00 235 Q 8.94 4.51 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 236 I 8.15 4.60 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.77 0.00 0.00 237 V 8.15 3.97 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 0.92 0.00 0.00 0.91 0.00 0.00 238 S 8.67 5.20 0.00 3.63 3.60 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 0.00 239 A 8.13 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 240 E 8.30 5.27 0.00 1.82 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 2.20 2.21 0.00 241 A 7.95 4.62 1.55 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 0.00 0.00 242 W 9.17 5.03 0.00 3.09 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 0.00 243 G 8.83 3.07 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 0.00 0.00 0.00 244 R 7.09 4.19 0.00 1.68 1.80 0.00 3.38 0.00 0.00 3.52 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 245 A 8.75 3.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 D 7.53 4.69 0.00 2.75 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 * Residues marked with a * may have inaccurate shift predictions.