NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4099 8.3349 115.2919 58.6165 63.4302 173.1061 6 D 4.6456 8.3664 120.5316 52.6833 41.2327 174.8869 7 L 3.9140 8.3993 123.4606 55.1044 43.0766 176.6005 8 I 3.8411 8.3705 127.7698 60.5937 37.3819 174.3585 9 P 4.4378 0.0000 0.0000 62.1535 31.8253 176.0773 10 A 3.1820 8.4201 123.3783 51.4933 18.8198 176.0818 11 P 4.2107 0.0000 0.0000 61.2126 32.3187 174.5741 12 P 4.2654 0.0000 0.0000 62.3947 31.9343 177.2745 13 L 3.7513 8.5996 122.9044 58.0533 41.6161 179.1752 14 S 4.2916 7.9652 111.4816 59.9066 62.6056 174.5248 15 K 4.2865 8.1819 118.9999 55.7924 33.3973 176.1037 16 V 4.2292 7.9544 120.1226 60.1284 31.6083 173.6775 17 P 4.3329 0.0000 0.0000 62.6677 31.7950 175.5262 18 L 4.3369 7.2563 122.6921 52.9588 41.8480 173.8116 19 Q 3.3630 8.3772 120.1894 53.9479 28.6791 177.0473 20 Q 4.2447 8.5151 124.3459 56.3768 30.1257 175.0606 21 N 4.1408 8.7057 114.7924 54.3545 35.7967 175.4612 22 F 4.4875 8.2695 119.2939 58.7230 40.1013 174.6728 23 Q 4.0603 9.0322 129.4495 53.9927 27.3833 175.9368 24 D 4.6392 7.5851 117.7706 53.8434 39.2830 177.1266 25 N 4.7258 7.6371 115.4589 53.3905 39.4662 174.9416 26 Q 4.4440 8.0004 116.4252 55.9340 31.1301 176.5665 27 F 5.0178 8.4445 118.7132 60.3758 39.8286 174.6914 28 H 4.4535 8.2430 115.4634 55.6599 28.9861 173.3092 29 G 3.4355 8.6734 104.4981 43.9100 0.0000 171.8282 30 K 4.5614 7.6704 117.4495 54.6353 33.5429 176.5374 31 W 4.8426 8.6690 124.0907 55.0358 32.9844 173.9055 32 Y 4.8661 8.9768 121.3869 56.6339 39.8264 175.5277 33 V 4.1557 8.3336 124.3441 62.4241 30.4216 175.5288 34 V 3.9480 8.5699 129.3508 64.7634 32.9714 175.9942 35 G 3.5101 7.4090 105.7672 44.0074 0.0000 171.4787 36 L 5.4823 8.8587 124.3342 53.2612 45.8429 174.8538 37 A 5.1692 9.3385 127.2843 50.3000 23.1115 174.8586 38 G 3.9859 8.0635 106.0288 45.7833 0.0000 174.2997 39 N 4.3346 7.7025 116.6087 54.4553 37.4136 176.1768 40 R 4.4278 7.6766 116.0072 55.8107 31.2000 175.3020 41 I 4.2300 7.4557 120.8140 59.7824 38.3094 174.5330 42 L 4.9485 8.1164 124.2480 52.5634 44.5059 176.3387 43 R 4.0224 9.3000 126.7992 56.5089 30.9547 175.9562 44 D 4.6062 8.5947 125.3026 52.8161 42.9420 175.1770 45 D 4.4746 8.8777 125.6926 56.1967 41.1118 177.5933 46 Q 4.1921 8.4942 119.8146 57.6862 29.7238 175.4427 47 H 4.9019 8.1606 114.0264 53.1376 29.1033 171.2482 48 P 4.3995 0.0000 0.0000 62.8969 32.5333 176.3449 49 M 4.4406 8.3736 120.0245 54.8431 33.6896 175.0311 50 N 4.9010 8.6831 123.0849 53.1204 39.6953 174.6887 51 M 4.5580 8.9014 123.2217 55.9931 33.3762 174.5908 52 Y 5.1656 8.6065 121.1941 55.3713 42.6316 173.2803 53 A 5.2270 8.8840 119.9774 50.4273 22.9916 175.2822 54 T 4.8723 8.6561 115.4077 61.7561 72.7615 173.1256 55 I 4.5797 8.6722 127.0549 59.5999 40.1470 174.1253 56 Y 4.6439 8.7314 125.4945 56.4991 39.7059 174.7895 57 E 4.9089 8.9686 125.7431 54.0800 31.7088 175.6769 58 L 4.2989 8.8853 127.9170 55.3526 42.6911 176.9359 59 K 4.4410 8.9841 126.6138 55.1690 33.9123 177.1011 60 E 4.0752 8.8268 120.0109 59.9931 29.3730 179.5029 61 D 4.4392 7.9564 112.6104 53.8272 38.8751 177.2948 62 K 4.1045 8.0580 119.9907 57.2161 31.7292 176.6078 63 S 4.7476 8.1381 114.6851 58.8969 64.3633 172.5580 64 Y 5.4139 9.2064 118.4315 56.5872 41.1458 175.0874 65 N 4.9048 9.3051 121.3755 52.1581 40.3946 174.3366 66 V 4.2630 8.8169 125.7243 61.4392 33.4008 174.3480 67 T 4.9218 8.4230 125.7316 61.9403 70.9585 173.7609 68 S 5.0330 8.8107 122.7323 56.7298 65.6666 173.2004 69 V 4.1405 8.7955 124.9919 61.0671 33.3340 174.3485 70 I 4.9435 8.4566 128.2850 59.4813 41.2679 174.3443 71 S 5.3482 8.5797 119.7723 56.9080 63.7545 173.7623 72 S 4.3952 9.8156 124.0393 58.6111 67.0168 174.0553 73 H 4.0904 9.5541 122.8917 57.1842 25.6924 175.5502 74 K 3.9294 8.2673 114.0839 56.7488 30.2281 176.1867 75 K 4.6728 7.9318 118.7628 54.6389 34.7003 174.1007 76 C 5.4728 8.6723 119.3097 55.7894 42.9789 172.7804 77 E 4.8083 9.8164 124.7589 54.8497 31.5962 174.4263 78 Y 5.0376 8.8736 122.7596 56.5168 39.7283 175.3018 79 T 4.8313 8.6707 113.7144 59.9549 72.5943 172.9100 80 I 5.1348 8.3087 122.1761 59.7633 41.1044 174.4689 81 A 4.8118 8.8193 125.7465 50.5458 23.2067 174.8874 82 T 4.9535 8.4881 109.5474 60.0490 70.9321 173.6860 83 F 5.4674 9.1349 126.1675 56.2829 40.5405 175.0346 84 V 4.5607 9.2507 125.7543 61.0508 32.8551 173.5487 85 P 4.1638 0.0000 0.0000 63.5944 31.5657 176.7801 86 G 4.1467 8.6392 113.9154 45.8429 0.0000 174.5462 87 S 4.3224 8.8657 114.8570 60.4826 63.6738 174.3958 88 Q 4.5635 7.4412 117.8949 52.5526 31.7966 172.7974 89 P 4.3318 0.0000 0.0000 65.9222 31.1210 176.7453 90 G 2.6642 8.4139 111.6797 44.0876 0.0000 171.1337 91 E 4.8671 7.3629 120.8825 54.2337 32.4561 174.8675 92 F 5.3970 8.8677 124.6830 56.5381 44.0683 172.7944 93 T 4.6115 8.9270 112.8531 62.8097 70.6558 172.3791 94 L 4.7764 8.9408 122.0973 56.2698 43.8693 180.7901 *104 T 4.4145 7.3494 113.8143 61.7361 72.5240 174.4354 105 S 4.9320 7.9393 113.2301 58.0494 66.7411 175.7809 106 Y 5.1146 8.1972 127.9564 55.8475 42.1809 173.7430 107 L 5.1480 8.4841 125.5795 52.9792 46.1872 175.6404 108 V 4.6976 8.5378 121.8616 61.3028 35.4424 174.6360 109 R 4.6385 8.2785 126.1903 55.3988 33.4445 174.4723 110 V 3.6882 8.3448 128.5316 62.0462 29.7039 175.3669 111 V 4.3240 8.0223 126.3602 64.5157 32.2874 175.0824 112 S 4.8221 7.7686 111.5628 58.0008 66.1260 173.6720 113 T 3.6027 8.0323 117.7278 61.2655 69.7478 172.4619 114 D 4.5875 6.9688 125.7802 52.5113 39.6898 178.5768 115 Y 4.1001 7.8766 117.0126 59.5307 37.5116 170.2153 116 N 5.0368 8.5849 113.4815 52.2452 38.5276 173.6193 117 Q 4.7009 8.3399 119.1133 57.4035 31.0459 174.3588 118 Y 5.9185 9.5845 115.1152 54.3456 42.6223 173.2149 119 A 4.2543 8.1198 116.2404 51.0356 22.6317 175.2660 120 V 4.7861 9.2543 123.8327 61.0394 34.1837 174.5692 121 V 4.6426 8.4212 127.2097 60.9842 34.9419 173.7139 122 F 5.2954 8.8841 129.4706 56.6432 41.7296 174.3356 123 F 5.0483 8.3345 122.9077 55.7175 43.3553 173.8282 124 K 4.3575 7.8036 121.6984 54.9845 36.3559 174.2943 125 L 4.9640 8.5183 128.9460 53.1995 44.5134 174.7812 126 A 4.5334 8.8294 129.1371 51.1534 19.8670 176.7148 127 E 3.5091 8.3862 119.5746 57.2727 26.4481 173.4441 *131 E 4.3529 7.6890 115.2063 55.7472 31.3737 174.6747 132 F 4.7881 7.5152 114.0299 57.3604 41.2197 172.1720 133 F 4.9636 8.2404 111.7707 55.8298 41.3849 173.2846 134 A 4.8261 8.6959 121.2856 51.2258 23.1393 175.1048 135 I 5.5050 9.3072 112.5134 59.6981 41.6795 174.3947 136 T 5.0313 8.9947 112.6971 60.2023 72.9747 172.6813 137 I 4.2262 7.6435 122.6200 59.0170 39.8288 174.0966 138 Y 4.9192 8.9631 127.8014 57.8579 39.3801 175.2334 139 G 4.6936 9.6142 109.8374 44.4378 0.0000 173.6698 140 R 3.8893 9.7281 126.8343 58.9149 30.7595 175.8571 141 T 5.0033 7.8980 107.5400 60.0649 71.3773 173.8133 142 K 4.2137 8.3742 120.8574 56.5027 32.1776 176.4709 143 E 4.6028 7.8290 118.8278 55.2949 33.0710 174.6805 144 L 4.6493 8.3648 123.4482 52.4440 44.0951 176.1429 145 A 4.0463 8.5892 123.3896 52.9520 18.9660 178.8207 146 S 4.0440 8.8497 117.9930 61.7748 62.6422 176.4119 147 E 4.0016 8.1663 120.7816 59.3828 29.3325 178.9936 148 L 3.9363 8.2603 119.4604 57.6515 41.6379 179.8489 149 K 4.2514 8.0382 117.7949 59.7330 32.2039 178.8165 150 E 4.0823 8.0808 118.3151 59.9084 29.3301 179.4201 151 N 4.4166 8.4285 116.2009 56.1132 38.4470 177.3018 152 F 4.3497 8.3637 122.2391 61.4568 39.5527 177.2825 153 I 3.5303 8.5365 119.8482 64.3533 36.8978 178.6672 154 R 3.9327 8.2031 118.9597 59.2800 29.7850 178.9357 155 F 4.3145 8.5807 120.7565 61.2181 39.3555 177.3487 156 S 3.8957 8.0553 115.0903 61.4678 62.5543 176.8657 157 K 4.7064 8.2711 122.6458 58.9649 31.6086 179.4879 158 S 4.1478 7.9367 113.0796 60.4809 62.7737 175.4272 159 L 4.3582 6.9516 119.7252 54.1554 41.6391 176.9707 160 G 3.8480 8.5866 107.6574 45.2154 0.0000 173.3638 161 L 4.4618 7.7684 120.8079 51.9337 42.5418 174.9377 162 P 4.7343 0.0000 0.0000 61.7225 32.5964 176.8427 163 E 3.9824 8.7569 119.1943 59.2297 29.6155 177.8562 164 N 4.6674 8.2299 114.1942 54.3946 37.9872 175.3465 165 H 5.6484 8.3266 115.9416 54.9259 29.1338 173.4620 166 I 5.1236 7.6276 119.5847 59.7150 39.9859 175.4312 167 V 4.7030 9.1341 119.3389 59.6727 36.2354 174.9403 168 F 4.9096 8.8373 121.2254 53.8029 40.3616 173.0097 169 P 4.5368 0.0000 0.0000 63.0835 32.1158 176.2889 170 V 3.8966 9.0597 124.3821 61.9125 32.6107 173.5814 171 P 4.7091 0.0000 0.0000 62.7148 31.6139 175.8100 172 I 4.6010 8.3090 116.7593 59.3698 40.3731 174.9486 173 D 4.8693 8.5946 119.6224 54.2700 41.5613 176.3737 174 Q 4.6496 7.5969 118.6930 55.2134 31.2361 178.0029 175 C 4.2436 8.9404 116.0948 57.7314 39.1994 173.9568 176 I 4.2759 7.6594 110.4175 60.7237 38.1039 175.4561 177 D 5.0183 8.0541 121.1660 54.5357 41.3863 176.5160 178 G 3.7851 8.1032 113.0589 45.7139 0.0000 174.0750 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 5 S 8.33 4.41 0.00 3.86 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 6 D 8.37 4.65 0.00 2.75 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 7 L 8.40 3.91 0.00 1.61 1.64 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.37 3.84 1.94 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 1.14 0.00 0.00 9 P 0.00 4.44 0.00 2.16 2.08 0.00 3.83 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 1.99 1.97 0.00 10 A 8.42 3.18 1.21 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 0.00 0.00 11 P 0.00 4.21 0.00 1.72 1.72 0.00 3.04 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 12 P 0.00 4.27 0.00 2.12 2.10 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 13 L 8.60 3.75 0.00 1.63 1.62 0.78 0.85 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 14 S 7.97 4.29 0.00 3.78 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 15 K 8.18 4.29 0.00 1.59 1.71 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.32 7.81 16 V 7.95 4.23 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.20 0.00 0.00 17 P 0.00 4.33 0.00 2.03 1.85 0.00 3.53 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 18 L 7.26 4.34 0.00 1.40 1.43 0.77 0.68 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 19 Q 8.38 3.36 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 20 Q 8.52 4.24 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 21 N 8.71 4.14 0.00 2.93 2.92 0.00 0.00 6.90 7.45 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 22 F 8.27 4.49 0.00 2.94 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 23 Q 9.03 4.06 0.00 1.16 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 24 D 7.59 4.64 0.00 2.84 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 25 N 7.64 4.73 0.00 2.54 2.71 0.00 0.00 6.81 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 26 Q 8.00 4.44 0.00 1.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.07 1.89 0.00 27 F 8.44 5.02 0.00 3.51 3.49 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 28 H 8.24 4.45 0.00 3.58 3.56 0.00 5.56 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.67 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.67 4.56 0.00 1.26 1.28 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.14 1.23 7.81 31 W 8.67 4.84 0.00 2.48 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.98 4.87 0.00 3.31 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 33 V 8.33 4.16 1.44 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 0.58 0.00 0.00 0.19 0.00 0.00 34 V 8.57 3.95 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 0.98 0.00 0.00 1.08 0.00 0.00 35 G 7.41 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.86 5.48 0.00 1.66 1.47 1.00 1.26 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 37 A 9.34 5.17 1.11 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 0.00 0.00 38 G 8.06 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 39 N 7.70 4.33 0.00 2.78 2.59 0.00 0.00 6.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.68 4.43 0.00 1.59 1.82 0.00 3.29 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 41 I 7.46 4.23 2.11 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 1.21 0.88 0.89 0.00 0.00 42 L 8.12 4.95 0.00 1.40 1.47 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.30 4.02 0.00 1.97 1.91 0.00 3.44 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 44 D 8.59 4.61 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.88 4.47 0.00 2.72 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 46 Q 8.49 4.19 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.23 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 47 H 8.16 4.90 0.00 3.08 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.40 0.00 2.21 2.08 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 49 M 8.37 4.44 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 50 N 8.68 4.90 0.00 2.67 2.77 0.00 0.00 6.98 7.66 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 51 M 8.90 4.56 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.59 0.00 52 Y 8.61 5.17 0.00 3.21 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.88 5.23 1.08 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 0.00 0.00 54 T 8.66 4.87 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 0.72 0.00 0.00 55 I 8.67 4.58 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.60 0.83 0.00 0.00 56 Y 8.73 4.64 0.00 2.52 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 0.00 0.00 0.00 0.00 57 E 8.97 4.91 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 58 L 8.89 4.30 0.00 1.77 1.61 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.98 4.44 0.00 1.91 1.78 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.48 7.81 60 E 8.83 4.08 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 61 D 7.96 4.44 0.00 2.82 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 62 K 8.06 4.10 0.00 2.01 2.11 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.40 7.81 63 S 8.14 4.75 0.00 4.01 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 64 Y 9.21 5.41 0.00 3.08 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 65 N 9.31 4.90 0.00 2.85 2.75 0.00 0.00 6.36 8.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.82 4.26 1.44 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 0.10 0.00 0.00 0.26 0.00 0.00 67 T 8.42 4.92 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 1.32 0.00 0.00 68 S 8.81 5.03 0.00 3.68 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 69 V 8.80 4.14 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 0.58 0.00 0.00 0.29 0.00 0.00 70 I 8.46 4.94 1.76 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.76 0.79 0.00 0.00 71 S 8.58 5.35 0.00 3.88 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 72 S 9.82 4.40 0.00 3.76 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 9.55 4.09 0.00 3.27 3.32 0.00 5.85 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 74 K 8.27 3.93 0.00 1.93 1.95 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.46 7.81 75 K 7.93 4.67 0.00 1.96 1.69 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.57 7.81 76 C 8.67 5.47 0.00 3.01 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 77 E 9.82 4.81 0.00 1.71 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 0.00 2.23 2.24 0.00 78 Y 8.87 5.04 0.00 2.79 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.67 4.83 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 80 I 8.31 5.13 1.85 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 1.27 0.68 0.86 0.00 0.00 81 A 8.82 4.81 1.02 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 82 T 8.49 4.95 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 83 F 9.13 5.47 0.00 3.15 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 84 V 9.25 4.56 2.25 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 1.13 0.00 0.00 1.08 0.00 0.00 85 P 0.00 4.16 0.00 2.00 1.96 0.00 3.86 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.38 0.00 86 G 8.64 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 0.00 0.00 0.00 87 S 8.87 4.32 0.00 3.95 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 88 Q 7.44 4.56 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.12 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 89 P 0.00 4.33 0.00 2.12 2.17 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 90 G 8.41 2.66 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 0.00 0.00 0.00 91 E 7.36 4.87 0.00 1.77 1.71 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 2.06 2.29 0.00 92 F 8.87 5.40 0.00 2.89 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 93 T 8.93 4.61 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 1.36 0.00 0.00 94 L 8.94 4.78 0.00 1.74 1.57 0.67 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *104 T 7.35 4.41 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 1.27 0.00 0.00 105 S 7.94 4.93 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.20 5.11 0.00 3.08 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 0.00 107 L 8.48 5.15 0.00 1.52 1.46 0.90 0.89 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 0.00 108 V 8.54 4.70 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 0.75 0.00 0.00 0.69 0.00 0.00 109 R 8.28 4.64 0.00 1.80 1.69 0.00 2.91 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 110 V 8.34 3.69 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.15 0.00 0.00 111 V 8.02 4.32 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 0.64 0.00 0.00 1.06 0.00 0.00 112 S 7.77 4.82 0.00 3.81 3.61 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 0.00 113 T 8.03 3.60 3.84 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 0.47 0.00 0.00 114 D 6.97 4.59 0.00 2.87 2.80 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 0.00 0.00 0.00 115 Y 7.88 4.10 0.00 3.26 3.26 0.00 0.00 0.00 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0.00 1.92 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 2.31 0.00 144 L 8.36 4.65 0.00 1.71 1.66 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.59 4.05 1.30 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 0.00 0.00 146 S 8.85 4.04 0.00 3.90 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 0.00 147 E 8.17 4.00 0.00 2.06 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 2.41 2.41 0.00 148 L 8.26 3.94 0.00 1.81 1.61 1.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.04 4.25 0.00 2.03 2.15 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.82 1.64 7.81 150 E 8.08 4.08 0.00 2.24 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 2.35 2.57 0.00 151 N 8.43 4.42 0.00 2.93 2.87 0.00 0.00 6.68 7.63 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 0.00 152 F 8.36 4.35 0.00 3.16 3.39 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 0.00 153 I 8.54 3.53 2.11 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 1.81 1.22 0.95 0.00 0.00 154 R 8.20 3.93 0.00 2.10 2.02 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 155 F 8.58 4.31 0.00 3.13 3.19 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 0.00 0.00 0.00 0.00 156 S 8.06 3.90 0.00 3.82 3.66 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 0.00 157 K 8.27 4.71 0.00 1.91 1.82 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.46 7.81 158 S 7.94 4.15 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 0.00 159 L 6.95 4.36 0.00 1.66 1.57 0.45 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.59 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 0.00 161 L 7.77 4.46 0.00 1.82 1.57 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.73 0.00 2.24 2.20 0.00 3.66 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 2.27 1.99 0.00 163 E 8.76 3.98 0.00 2.05 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 0.00 2.42 2.38 0.00 164 N 8.23 4.67 0.00 2.89 3.05 0.00 0.00 6.17 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 H 8.33 5.65 0.00 3.37 3.38 0.00 5.56 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.63 5.12 2.12 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 1.08 0.00 0.00 167 V 9.13 4.70 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 0.81 0.00 0.00 0.97 0.00 0.00 168 F 8.84 4.91 0.00 2.89 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 0.00 169 P 0.00 4.54 0.00 2.18 2.23 0.00 3.74 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 2.13 2.21 0.00 170 V 9.06 3.90 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 1.04 0.00 0.00 0.97 0.00 0.00 171 P 0.00 4.71 0.00 1.94 1.90 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 172 I 8.31 4.60 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.96 0.00 0.00 173 D 8.59 4.87 0.00 2.68 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 0.00 174 Q 7.60 4.65 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 5.97 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 175 C 8.94 4.24 0.00 3.15 3.23 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 0.00 176 I 7.66 4.28 2.22 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 1.01 0.00 0.00 177 D 8.05 5.02 0.00 2.72 2.76 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 G 8.10 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 * Residues marked with a * may have inaccurate shift predictions.