NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4516 8.1727 120.0847 56.2424 34.3939 174.2541 3 L 4.7183 8.9540 125.4320 53.1488 43.6697 173.8423 4 I 4.6351 9.0823 128.7646 59.8847 39.7987 174.6601 5 V 4.8278 8.4542 126.1616 61.1460 33.9624 174.2430 6 V 4.9323 8.7256 128.4953 61.3764 33.1000 175.7166 7 T 4.0274 8.4633 118.4621 61.5361 69.6787 173.6065 8 T 4.1188 7.3251 110.6404 59.9567 69.7736 174.1268 9 P 4.2692 0.0000 0.0000 64.2493 31.6544 176.2180 10 T 4.4834 6.8240 111.1333 59.7202 69.9398 173.1234 11 F 4.5709 8.5176 124.2467 56.8201 40.2362 175.3999 12 F 5.0277 8.1778 117.0223 54.9855 40.8611 174.4521 13 V 3.7631 8.2934 116.0779 63.2035 31.9542 176.6986 14 E 3.9676 8.8828 121.3838 56.8176 27.8710 176.1982 15 E 3.2302 7.3337 119.7098 59.0202 29.3470 178.3782 16 D 4.2580 7.7203 118.5656 56.3187 39.3901 178.6559 17 K 3.9524 7.6487 119.3660 59.2077 32.1978 179.2573 18 I 3.1070 7.3997 120.1639 64.1516 36.9247 178.5390 19 I 3.5641 7.8755 120.8716 64.6539 36.8599 178.6083 20 T 3.9541 8.0161 116.2529 66.6878 67.8600 176.5117 21 A 4.0230 8.1814 122.7682 55.1877 18.3550 179.7360 22 L 3.5236 7.6144 117.4908 57.4741 41.5718 179.6845 23 F 3.9430 7.6626 117.7858 60.5896 38.5386 177.4793 24 E 4.4019 8.1058 116.9742 58.9473 29.1820 178.2749 25 E 4.6940 7.4478 115.8085 55.8468 29.8742 176.4451 26 G 3.9400 8.4648 106.7106 45.6500 0.0000 173.8515 27 L 4.1762 7.6547 121.5674 55.1382 41.6929 176.3805 28 D 4.5941 8.6735 127.2859 56.6722 41.6041 175.9727 29 I 5.1695 7.5027 118.3632 59.4848 42.1675 173.4060 30 L 5.1387 9.4681 127.0514 53.7392 45.0307 174.7708 31 H 5.2282 9.3487 124.4203 54.1479 30.5357 174.2221 32 L 4.4070 9.5042 128.8171 54.4587 42.8054 175.8859 33 R 4.8176 8.8397 127.8032 54.6269 32.6348 174.0755 34 K 4.8114 8.9238 126.2061 51.5625 32.4757 173.4793 35 P 4.0809 0.0000 0.0000 64.4606 32.4325 176.6517 36 E 3.8366 8.8087 120.0208 57.5852 26.6210 174.2758 37 T 4.8451 7.3399 113.1477 60.7174 73.1488 172.7581 38 P 4.1918 0.0000 0.0000 62.8482 31.8876 176.5114 39 A 3.8812 8.4826 129.8808 52.5253 19.0873 178.7574 *41 Y 4.4406 7.9698 119.2814 59.2264 40.2315 178.4786 42 S 4.4211 8.3020 116.2375 61.5752 62.7528 176.5502 43 E 3.3636 7.9864 120.8904 59.0999 29.0715 179.3023 44 R 3.9093 7.8066 116.6463 59.1453 30.4101 178.3965 45 L 4.0978 7.8075 119.7627 58.3316 42.3115 178.9256 46 L 3.9201 7.8239 118.8580 58.1802 41.1575 179.7858 47 T 4.2401 7.9594 115.1240 66.6171 68.4486 176.4892 48 L 4.2372 7.7299 120.2003 55.9204 41.9257 177.4798 49 I 4.2166 6.9528 111.5904 58.9466 38.6952 173.8056 50 P 4.1114 0.0000 0.0000 63.1259 31.9905 176.3176 51 E 3.4189 9.1416 123.2393 59.5213 29.1909 179.7032 52 K 4.0332 7.7666 116.1109 59.2978 32.4728 177.2899 53 Y 4.3705 7.5289 117.0588 58.2771 38.0424 176.9823 54 H 4.3901 8.5718 120.4143 58.5159 28.4987 176.9024 55 R 4.2441 7.7309 114.2529 56.6704 29.3496 176.6366 56 R 4.7495 7.9669 115.7090 56.3254 32.0791 174.8382 57 I 5.1593 7.8370 120.0907 59.4814 39.5972 175.0009 58 V 4.5960 9.1434 126.4767 61.3079 34.5043 173.9641 59 T 5.1499 8.4668 121.4294 61.0086 69.5548 174.1122 60 H 5.2597 9.4711 124.2702 56.3094 29.5752 174.5643 61 E 4.3123 8.1490 116.8932 54.8817 33.9170 175.4158 62 H 4.1575 8.1499 111.9936 56.7316 25.7864 175.6864 63 F 4.6672 7.7325 121.1216 60.2787 39.2142 176.3984 64 Y 4.3225 8.4092 117.1064 59.7845 37.6970 177.9982 65 L 3.7423 7.4891 120.7447 56.6541 41.4299 179.0076 66 K 3.9302 8.0866 120.4414 59.7983 31.9532 178.3279 67 E 4.1416 8.1515 116.1285 58.3616 29.8021 178.0922 68 E 4.0744 7.9599 118.5374 58.8091 29.7993 177.6347 69 F 4.5430 8.2172 114.1866 56.4258 39.3925 174.9968 70 N 4.3395 8.2393 117.0705 54.7240 37.9226 176.1085 71 L 5.3979 7.2637 125.0537 53.9656 43.8382 179.0612 *73 G 4.5120 8.4907 115.0740 47.9648 0.0000 170.0811 74 I 5.0252 8.4924 112.9728 59.1939 41.4450 174.4104 75 H 4.8981 8.3765 122.5505 54.0510 31.3224 173.3808 76 L 4.6477 8.4613 127.2758 55.1980 42.4193 176.4471 77 N 4.7926 9.3325 118.8069 51.4834 40.6692 175.1595 78 A 3.9809 8.8801 121.1760 55.6954 18.1513 179.5372 79 R 4.1300 7.8782 112.3800 58.5929 30.6305 177.0807 80 N 4.9007 8.1039 115.2267 50.6448 38.6957 172.9988 81 P 4.5666 0.0000 0.0000 63.8483 32.3362 177.5398 82 S 4.7198 7.6891 113.0469 56.3217 65.8947 173.6403 83 E 3.9518 8.5730 120.8094 55.1157 30.2931 174.8674 84 P 4.5014 0.0000 0.0000 63.6731 31.7928 177.1967 85 H 3.4712 7.1001 109.5050 56.0980 30.2446 174.9624 86 D 4.9773 7.9804 124.7297 53.6731 41.9184 176.6250 87 Y 4.1155 8.1929 120.6423 58.0097 39.6828 175.1115 88 A 4.0794 7.4954 128.1873 51.8087 20.8074 175.7321 89 G 3.5985 7.4135 109.7410 46.3685 0.0000 169.6148 90 H 4.6102 8.2439 120.0013 56.3252 30.8229 175.3483 91 V 5.0854 9.2519 125.7661 60.2024 34.7459 174.6609 92 S 4.9906 8.6628 116.0474 57.9197 66.9447 172.1899 93 C 4.1897 7.6877 114.7760 57.4949 33.2161 172.4206 94 S 5.2601 8.2187 114.5995 57.2044 64.3773 173.8128 95 C 5.4797 8.7167 119.9398 56.8813 31.7781 173.4013 96 H 5.8707 8.7192 116.1901 53.8147 30.0573 174.1160 97 S 4.9808 7.8157 110.7861 56.8023 66.2235 175.8507 98 V 3.6051 8.2833 122.6165 66.0693 31.2241 178.0431 99 E 3.9368 8.1731 118.6967 59.1831 29.7283 178.2193 100 E 3.9978 8.4374 118.8678 59.7030 29.6257 179.5030 101 V 3.6534 7.6826 117.4911 65.8590 31.2789 177.8478 102 K 3.9064 7.8045 118.2209 59.1571 32.4755 178.8060 103 N 5.0718 8.2251 115.2635 52.6479 39.9089 175.0989 104 R 5.2334 7.9875 120.0785 57.4626 37.6314 176.2299 105 K 4.0476 8.4867 117.8170 60.4953 32.2788 177.9885 106 H 4.4678 7.9573 113.1924 56.8408 28.6785 175.4788 107 F 4.6938 8.1782 117.9969 57.2354 39.0878 174.7272 108 Y 4.8264 7.6356 117.2429 56.1082 41.8958 175.0593 109 D 4.6585 8.6298 121.7478 57.5776 41.1833 176.4211 110 Y 4.9895 7.2075 113.2936 56.7110 40.6145 173.3965 111 V 4.9818 8.6278 113.0627 60.1070 36.3985 175.6780 112 F 5.1953 8.8548 122.4617 57.0002 42.1825 175.0734 *114 S 4.7971 8.4690 114.1894 58.7609 64.9970 171.2922 115 P 4.9227 0.0000 0.0000 61.6435 30.9639 176.6276 116 I 3.8284 8.4087 126.9817 63.8331 37.7027 176.4252 117 Y 4.7050 7.6121 116.0019 56.6606 38.2344 175.5798 *127 S 4.1899 7.6832 112.5788 58.6766 63.8442 171.7755 128 T 4.1094 8.0178 120.6382 62.5680 72.3711 172.2712 129 Y 4.6767 7.5299 118.3051 56.9066 40.1589 174.8741 130 T 4.6710 8.0617 115.4005 61.1647 73.1366 174.7704 131 A 4.0557 8.9262 127.0337 55.6550 18.2836 179.6600 132 E 3.9667 8.1659 117.2781 59.4315 29.9938 178.6768 133 E 4.0619 8.1455 116.9599 58.9625 29.4915 178.6739 134 L 3.7625 7.9260 121.3975 58.0586 42.3600 178.7599 135 R 4.2258 7.9708 117.6883 59.1938 29.8893 178.8477 136 E 3.9667 8.3895 118.3402 59.3284 29.3712 179.0727 137 A 4.0945 8.0915 120.0888 54.1882 18.2949 179.4756 138 Q 3.7978 7.8272 118.8602 59.1965 28.9951 178.2408 139 K 4.0606 7.9368 117.5908 58.9765 32.2819 178.3383 140 A 4.1499 7.7846 118.8790 52.0857 18.0257 178.6329 141 K 4.0035 7.5987 115.3906 56.7367 30.7773 177.0242 142 I 3.7220 7.3999 119.6079 63.8745 37.0953 176.2590 143 I 4.1996 7.1428 120.5393 59.3917 38.7721 174.2071 144 D 4.5689 8.1086 126.7909 52.5415 41.0857 175.3270 145 S 4.1413 8.8808 112.5281 60.9806 63.0165 175.0611 146 K 4.5518 8.4108 121.7669 56.3884 32.8524 175.3350 147 V 5.5280 8.1517 118.6549 59.8024 35.0287 173.8911 *149 A 3.7049 8.3158 120.0652 51.9790 20.0419 175.9118 150 L 4.4858 8.1095 122.2503 54.3847 46.4660 175.7505 151 G 3.9616 9.5911 114.1633 46.6961 0.0000 173.7295 152 G 3.9731 8.4946 116.7955 46.2763 0.0000 172.0908 153 I 4.4053 7.6922 119.2159 59.7242 38.9494 175.2241 154 N 4.9451 9.2567 120.4998 52.0177 39.8556 174.7536 155 E 4.0036 8.6291 115.2038 59.2180 29.7929 177.7471 156 D 4.4749 8.3389 119.5180 55.9105 40.8728 176.7065 157 N 4.9429 7.9741 113.8333 51.9164 38.3928 175.7463 158 L 3.9627 7.9264 122.2901 58.7648 42.0076 179.0438 159 L 4.0140 7.8723 118.3032 57.6766 41.3245 178.9348 160 E 3.9049 7.7368 117.3122 58.7755 29.8169 178.6779 161 I 4.5398 7.8189 120.5529 64.2635 37.5349 178.3180 162 K 4.2149 8.0805 118.7356 59.6764 32.2341 178.6909 163 D 4.3348 7.6266 119.9520 56.9740 40.7854 177.8069 164 F 5.2148 7.3711 117.7000 57.7646 39.0947 176.4009 165 G 3.9133 7.7796 106.9440 44.7691 0.0000 173.9265 166 F 4.1872 7.9594 118.9500 57.8345 39.2884 176.0186 167 G 3.9159 8.1967 111.9178 44.9599 0.0000 173.1520 168 G 4.0824 6.6153 105.9316 46.0418 0.0000 172.4877 169 A 4.8175 8.2735 121.2809 49.7870 22.4389 175.2202 170 V 4.6815 8.4843 121.6792 61.1377 33.4777 175.3995 171 V 4.2531 8.8307 120.1965 60.0583 35.7029 174.3119 172 L 4.8612 8.6445 121.9464 55.5982 46.3209 178.4578 173 G 3.6848 8.2335 103.9670 48.0981 0.0000 174.5719 174 D 4.3588 8.1784 118.9684 56.0097 41.3509 176.8525 175 L 4.3218 7.6021 119.1460 57.2298 43.0587 178.1079 176 W 4.3402 8.0757 118.6789 59.5935 28.8475 177.9964 177 N 4.5889 8.3123 115.2899 54.9311 37.9670 175.4307 178 K 4.3248 7.6956 120.6003 56.3459 32.3522 175.9338 179 F 5.0296 8.3261 119.3767 57.0434 42.4464 173.2443 180 D 4.4001 8.4340 127.0578 51.7190 43.0671 175.3577 181 A 3.9059 7.8728 127.3225 53.7433 18.7705 178.1580 182 C 3.9998 8.7458 117.3134 60.1732 26.7405 173.9050 183 L 4.4563 7.4293 117.7632 55.1357 42.9567 176.5232 184 D 4.8359 7.5879 117.2712 52.8858 42.1620 176.3852 185 Q 4.2620 8.5622 122.5239 57.0103 29.5192 174.3604 186 N 4.7441 7.6350 112.7250 53.6276 39.7888 173.2809 187 Y 4.9480 7.2290 113.8692 56.5986 38.6795 178.0901 188 L 3.8919 8.6392 122.8562 59.0108 41.7285 178.6581 189 A 3.8199 8.1880 120.0660 55.3072 18.1407 179.8239 190 V 3.5015 7.7697 116.0027 66.3013 31.8037 178.2525 191 I 3.7667 7.6718 119.1339 64.4573 37.0623 178.3535 192 E 4.0050 9.0818 120.2932 59.6831 29.2773 178.9120 193 H 4.2313 8.3967 118.2812 58.7618 29.8191 177.2529 194 F 3.9906 8.1352 122.8867 61.1402 39.2808 177.2307 195 K 3.7179 8.0356 118.1578 59.1167 31.9036 179.2181 196 K 3.8053 7.7548 119.3656 59.6068 32.2157 178.9329 197 L 3.8375 7.5105 119.1800 57.5641 41.4562 179.4754 198 K 3.7249 7.8958 119.9256 58.8467 31.7623 178.8666 199 K 3.9214 7.5949 119.5549 59.1582 32.3809 178.5405 200 L 4.0877 7.7592 118.8596 57.4846 41.3281 179.2191 201 A 4.0067 7.8194 120.0009 54.7910 18.3676 178.4308 202 D 4.8659 7.7822 114.5646 53.6514 41.6867 177.7130 203 L 4.3385 7.1876 122.7800 53.6621 41.3533 175.4619 204 E 3.7220 8.7372 123.4437 59.0696 30.1897 176.3230 205 H 4.0795 7.8677 117.3821 57.4520 30.3098 174.0159 206 H 4.5714 8.0816 119.7598 56.3600 33.0641 173.2064 207 H 4.2065 7.9220 124.5472 56.3856 29.6313 174.5000 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 K 8.17 4.45 0.00 1.82 1.80 0.00 1.58 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.47 7.81 3 L 8.95 4.72 0.00 1.52 1.56 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.08 4.64 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.55 1.06 0.00 0.00 5 V 8.45 4.83 2.03 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 1.12 0.00 0.00 0.89 0.00 0.00 6 V 8.73 4.93 2.18 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 0.91 0.00 0.00 1.04 0.00 0.00 7 T 8.46 4.03 3.83 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 1.10 0.00 0.00 8 T 7.33 4.12 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 0.70 0.00 0.00 9 P 0.00 4.27 0.00 2.13 2.09 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 10 T 6.82 4.48 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 1.15 0.00 0.00 11 F 8.52 4.57 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 12 F 8.18 5.03 0.00 3.23 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 V 8.29 3.76 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 0.76 0.00 0.00 1.08 0.00 0.00 14 E 8.88 3.97 0.00 2.34 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 2.36 2.37 0.00 15 E 7.33 3.23 0.00 1.16 1.29 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 0.00 1.81 1.47 0.00 16 D 7.72 4.26 0.00 2.89 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 17 K 7.65 3.95 0.00 1.88 1.82 0.00 1.55 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.64 7.81 18 I 7.40 3.11 1.89 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.19 0.74 0.00 0.00 19 I 7.88 3.56 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.79 0.88 0.00 0.00 20 T 8.02 3.95 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 21 A 8.18 4.02 1.47 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 0.00 0.00 22 L 7.61 3.52 0.00 1.25 0.74 0.38 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.66 3.94 0.00 2.35 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 24 E 8.11 4.40 0.00 2.11 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 2.53 2.59 0.00 25 E 7.45 4.69 0.00 2.23 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 0.00 2.55 2.54 0.00 26 G 8.46 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 27 L 7.65 4.18 0.00 1.14 1.34 0.95 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.67 4.59 0.00 2.93 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 29 I 7.50 5.17 2.04 0.00 0.00 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 1.40 1.09 1.18 0.00 0.00 30 L 9.47 5.14 0.00 1.58 1.75 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 31 H 9.35 5.23 0.00 3.25 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.50 4.41 0.00 1.73 1.72 0.80 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.84 4.82 0.00 1.56 1.61 0.00 3.05 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 34 K 8.92 4.81 0.00 1.76 1.65 0.00 0.85 0.00 0.00 1.25 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.81 7.81 35 P 0.00 4.08 0.00 2.03 2.02 0.00 3.95 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 2.02 2.12 0.00 36 E 8.81 3.84 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 37 T 7.34 4.85 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 38 P 0.00 4.19 0.00 1.53 1.81 0.00 4.08 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 2.13 2.13 0.00 39 A 8.48 3.88 1.20 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 *127 S 7.68 4.19 0.00 3.88 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 0.00 128 T 8.02 4.11 3.98 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 0.00 0.00 0.21 0.00 0.00 129 Y 7.53 4.68 0.00 2.91 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 0.00 130 T 8.06 4.67 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 1.28 0.00 0.00 131 A 8.93 4.06 1.51 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 0.00 132 E 8.17 3.97 0.00 2.09 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 2.40 2.40 0.00 133 E 8.15 4.06 0.00 2.26 2.22 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 2.58 2.38 0.00 134 L 7.93 3.76 0.00 1.65 1.32 0.49 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 135 R 7.97 4.23 0.00 2.17 2.02 0.00 3.21 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.16 0.00 136 E 8.39 3.97 0.00 2.13 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 2.65 2.48 0.00 137 A 8.09 4.09 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 7.83 3.80 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 139 K 7.94 4.06 0.00 1.76 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.69 7.81 140 A 7.78 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.60 4.00 0.00 1.90 1.96 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 142 I 7.40 3.72 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.88 0.00 0.00 143 I 7.14 4.20 1.52 0.00 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.34 0.70 0.00 0.00 144 D 8.11 4.57 0.00 2.85 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 0.00 145 S 8.88 4.14 0.00 4.07 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 0.00 146 K 8.41 4.55 0.00 1.94 2.07 0.00 1.70 0.00 0.00 2.14 0.00 0.00 3.20 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.74 7.81 147 V 8.15 5.53 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 1.15 0.00 0.00 1.22 0.00 0.00 *149 A 8.32 3.70 0.03 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 0.00 150 L 8.11 4.49 0.00 1.22 1.22 0.83 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 151 G 9.59 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 0.00 0.00 0.00 152 G 8.49 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 0.00 0.00 0.00 153 I 7.69 4.41 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.70 0.92 0.00 0.00 154 N 9.26 4.95 0.00 2.80 2.84 0.00 0.00 6.63 8.21 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 0.00 155 E 8.63 4.00 0.00 2.05 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 0.00 2.26 2.30 0.00 156 D 8.34 4.47 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 N 7.97 4.94 0.00 2.76 2.69 0.00 0.00 5.92 6.67 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 0.00 158 L 7.93 3.96 0.00 1.89 1.65 0.87 1.05 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 0.00 159 L 7.87 4.01 0.00 1.68 1.68 0.93 0.79 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 0.00 160 E 7.74 3.90 0.00 2.06 2.31 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 2.50 2.26 0.00 161 I 7.82 4.54 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.19 0.97 0.00 0.00 162 K 8.08 4.21 0.00 1.96 2.08 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.40 7.81 163 D 7.63 4.33 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 F 7.37 5.21 0.00 3.33 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 0.00 165 G 7.78 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 0.00 166 F 7.96 4.19 0.00 3.27 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 0.00 167 G 8.20 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 6.62 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 0.00 0.00 0.00 169 A 8.27 4.82 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 0.00 170 V 8.48 4.68 1.62 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 0.49 0.00 0.00 0.03 0.00 0.00 171 V 8.83 4.25 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 0.61 0.00 0.00 0.91 0.00 0.00 172 L 8.64 4.86 0.00 1.69 1.53 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 173 G 8.23 3.68 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 0.00 0.00 0.00 174 D 8.18 4.36 0.00 2.64 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 0.00 175 L 7.60 4.32 0.00 1.60 1.39 0.73 -0.19 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 0.00 176 W 8.08 4.34 0.00 3.45 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 N 8.31 4.59 0.00 2.80 2.89 0.00 0.00 6.96 7.30 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 0.00 178 K 7.70 4.32 0.00 1.92 1.84 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.41 7.81 179 F 8.33 5.03 0.00 3.06 2.99 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 0.00 180 D 8.43 4.40 0.00 2.47 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 A 7.87 3.91 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 0.00 182 C 8.75 4.00 0.00 3.11 3.10 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 0.00 183 L 7.43 4.46 0.00 1.62 1.61 0.85 1.12 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 0.00 184 D 7.59 4.84 0.00 2.53 2.88 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 0.00 185 Q 8.56 4.26 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 186 N 7.64 4.74 0.00 2.56 2.70 0.00 0.00 5.91 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 0.00 187 Y 7.23 4.95 0.00 2.84 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.64 3.89 0.00 1.97 1.90 0.88 1.11 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 0.00 189 A 8.19 3.82 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 V 7.77 3.50 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 0.73 0.00 0.00 1.01 0.00 0.00 191 I 7.67 3.77 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.91 0.96 0.00 0.00 192 E 9.08 4.00 0.00 1.99 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 2.34 2.56 0.00 193 H 8.40 4.23 0.00 3.36 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.14 3.99 0.00 2.96 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 0.00 195 K 8.04 3.72 0.00 1.99 1.79 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.75 7.81 196 K 7.75 3.81 0.00 1.78 1.84 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.41 7.81 197 L 7.51 3.84 0.00 1.55 1.50 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 198 K 7.90 3.72 0.00 0.91 1.50 0.00 1.63 0.00 0.00 1.46 0.00 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.19 7.81 199 K 7.59 3.92 0.00 1.81 1.88 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 200 L 7.76 4.09 0.00 1.83 1.63 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 201 A 7.82 4.01 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 0.00 202 D 7.78 4.87 0.00 2.68 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 0.00 203 L 7.19 4.34 0.00 1.92 1.75 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 204 E 8.74 3.72 0.00 1.96 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 2.34 2.46 0.00 205 H 7.87 4.08 0.00 3.11 3.27 0.00 6.01 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 H 8.08 4.57 0.00 3.20 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 H 7.92 4.21 0.00 2.90 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.