NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2824 8.3149 120.1381 56.0799 32.7430 173.8384 4 K 4.3232 7.7140 116.9939 53.1059 35.5479 174.3456 5 P 4.3168 0.0000 0.0000 62.4719 32.9422 176.6488 6 L 3.7851 8.4935 124.6059 58.6609 42.6906 179.1618 7 I 3.8894 8.0148 118.6243 64.6929 37.1990 177.7555 8 D 4.5943 8.0229 117.7350 55.9801 40.7129 176.9620 9 Q 4.3824 7.9558 117.3959 56.2684 29.2544 175.9106 10 L 4.3019 7.5062 118.9804 54.5174 42.5660 176.0629 11 H 4.8983 8.1876 118.8486 54.2238 32.7714 174.2356 12 H 4.3317 8.8575 117.4974 57.8271 28.6163 176.0028 13 E 4.3071 7.7199 117.8230 57.0208 30.2520 176.4707 14 D 4.0661 7.3058 121.2893 51.9855 39.5027 176.6944 15 S 4.2522 8.2091 119.5574 61.6138 63.3123 176.3568 16 W 4.4437 8.5490 118.5875 59.9528 27.5185 178.5145 17 R 4.0663 6.8489 118.3639 58.6735 29.4833 178.9224 18 L 3.9766 7.7617 118.3452 57.2837 41.6859 178.9559 19 F 4.1511 8.2853 117.7257 59.8887 38.8713 177.7681 20 R 4.0814 8.1422 118.9065 59.2683 29.7274 178.5594 21 I 3.4191 7.3252 119.4443 63.9410 37.0248 178.0804 22 L 4.0845 7.7322 120.5245 58.1968 41.8730 178.8622 23 A 4.0828 8.4684 121.0998 55.3684 18.2991 179.4993 24 E 3.8041 8.1840 117.0435 59.3509 29.3254 179.7028 25 F 3.8394 7.7499 118.1358 60.1979 39.0320 177.8945 26 V 3.7606 8.0262 117.8531 66.3415 31.4460 178.0385 27 E 4.1418 8.5982 118.7258 59.0817 29.2477 179.5925 28 G 3.4797 8.1073 105.8494 47.9479 0.0000 175.8350 29 F 4.8792 8.1220 122.6345 59.5278 38.7912 177.4332 30 E 3.9739 8.4901 118.9295 59.6344 29.3203 178.6703 31 T 3.8673 7.6794 114.3098 67.0178 68.8316 176.2717 32 L 3.9987 7.9643 120.7666 57.5759 41.4182 179.7182 33 S 3.5615 7.8852 113.5503 61.1007 62.9396 176.0558 34 E 4.0595 7.6651 121.0170 57.2509 29.6231 177.3998 35 L 4.0168 6.9533 119.1961 55.2610 42.0250 177.1472 36 Q 4.6704 8.4785 121.9154 55.4865 29.4299 175.7408 37 V 4.4374 7.3870 115.7235 58.7834 34.5608 173.1875 38 P 4.3706 0.0000 0.0000 63.1434 32.4709 174.9251 39 L 4.9747 8.6713 124.4167 53.3735 43.9437 175.4270 40 V 4.6421 8.6351 124.0887 61.1124 33.9288 174.7481 41 S 4.7873 8.1724 124.4445 57.9587 64.3363 173.5404 42 V 4.8853 9.0298 122.7960 61.2320 34.9682 173.9109 43 F 4.8478 8.9454 128.9046 56.8481 43.1336 173.5873 44 G 4.5749 8.1195 110.5070 45.3206 0.0000 172.2486 45 S 4.0938 8.6256 114.6697 58.9255 62.6804 175.0522 46 A 4.6489 8.4432 127.0256 51.8506 19.4986 177.8140 47 R 4.2893 7.3755 114.2709 57.2412 31.3497 177.0395 48 F 4.4740 7.7663 117.6443 57.6762 39.1422 174.9349 49 G 4.2101 8.4455 115.8016 43.1254 0.0000 171.3480 50 E 2.8882 7.6875 117.2805 57.8367 29.6701 176.1395 51 G 4.1189 8.7694 111.6059 46.3955 0.0000 174.4929 52 H 4.2182 8.1934 118.9595 54.8208 31.6941 173.9289 53 P 4.1962 0.0000 0.0000 65.8514 31.2812 178.4585 54 A 4.0747 8.2192 118.7970 55.5692 18.2338 178.8312 55 Y 3.8846 8.1993 117.1379 60.8421 39.0768 177.4950 56 E 4.1020 8.5087 120.0170 59.6391 29.6755 178.8171 57 A 4.2297 8.8432 120.8699 54.8542 18.3188 179.8771 58 G 3.4627 8.0963 104.7651 47.9478 0.0000 175.3627 59 Y 3.8864 7.9460 121.9155 60.5512 38.8926 178.2824 60 R 4.0639 8.0816 118.8557 59.1434 30.0750 178.7406 61 L 3.9284 8.3460 120.4878 58.0943 42.1435 178.8393 62 G 3.6483 8.4625 105.8740 48.0045 0.0000 175.2900 63 R 3.9168 8.3973 122.9922 58.3286 30.1743 178.3803 64 A 4.0107 8.4088 120.8584 55.1625 18.2764 179.6767 65 L 3.9437 8.3026 117.5797 57.9483 41.6133 179.4897 66 A 4.2578 7.8844 122.0454 54.7531 18.0933 179.4190 67 E 4.0388 8.3172 115.4707 58.4433 29.6956 178.1837 68 A 4.5006 7.6324 118.6500 51.8485 19.1052 177.9188 69 G 3.7632 7.8001 106.3720 45.1227 0.0000 173.6756 70 F 4.8218 8.4235 118.6525 56.1497 41.2347 175.3238 71 G 4.2791 9.4676 109.0529 45.0937 0.0000 172.8717 72 V 4.9715 8.6666 114.9207 59.2122 34.9617 174.9990 73 V 4.8825 8.5871 124.4067 61.3873 34.2663 174.4892 74 T 5.5540 8.2372 117.1758 58.6331 72.3064 174.8194 75 G 3.7743 8.9365 108.8744 45.9913 0.0000 174.6107 76 G 3.8721 8.3264 108.4707 46.0164 0.0000 174.3803 77 G 4.1193 7.5217 109.5743 44.1391 0.0000 170.7578 78 P 4.6339 0.0000 0.0000 62.4968 34.7665 176.4049 79 G 4.1644 8.6158 107.1674 46.0306 0.0000 177.2385 80 V 3.6007 8.2183 119.6280 62.3392 31.0319 177.8503 *82 E 4.1573 8.3466 120.3441 55.7305 31.6115 177.2231 83 A 3.5180 7.3365 120.3031 54.9158 18.2457 179.7640 84 V 3.5251 7.4059 116.5718 66.0932 31.4998 177.9155 85 N 4.2741 7.9142 115.6697 56.2576 38.4437 177.0780 86 R 3.5424 8.1307 120.4199 59.1837 29.6115 178.5122 87 G 2.4907 7.5406 105.2906 47.5313 0.0000 175.4445 88 A 4.0843 7.7487 123.6805 54.7819 18.2697 178.8378 89 Y 3.9215 8.3307 118.4305 60.9335 38.8184 177.9729 90 E 3.9501 8.8661 118.6131 58.3130 29.7346 177.6495 91 A 4.3495 7.7797 120.4881 51.5211 19.3118 177.7765 92 G 3.7009 8.7336 105.2753 45.7250 0.0000 174.2759 93 G 3.9320 7.8539 107.4021 44.9033 0.0000 173.8882 94 V 4.0334 8.1733 119.9990 62.3789 32.8919 174.4635 95 S 5.0661 9.0943 123.1083 56.6753 64.8388 172.6165 96 V 4.8601 9.4665 128.4783 61.0958 34.3211 174.5099 97 G 4.2183 8.6908 113.2870 44.5098 0.0000 172.4087 98 L 4.8421 8.6169 128.1615 53.2764 40.2680 175.1629 99 N 4.6807 8.6650 119.3912 53.0740 40.1615 174.0111 100 I 4.7633 8.1577 123.9347 59.2948 38.9782 176.9839 101 E 4.2840 8.8020 128.6559 55.9453 25.8352 176.7018 102 L 3.9456 7.8844 122.5128 56.9539 42.5234 176.6083 *108 P 4.1663 0.0000 0.0000 61.5718 32.4089 176.0973 109 N 4.4021 7.9703 119.9285 53.0234 37.4131 172.5412 110 P 4.4899 0.0000 0.0000 63.6154 31.9319 175.8801 111 Y 3.9420 8.1918 114.2473 58.5498 38.3602 176.1123 112 Q 4.8464 7.5303 117.1740 54.4467 32.0410 176.5995 113 T 4.3337 9.1985 119.6275 66.3221 69.5855 174.9387 114 H 4.7569 8.1499 118.5422 54.4736 33.1572 172.1765 115 A 4.7866 8.7345 125.8042 50.1855 20.9970 175.2754 116 L 4.4540 8.6672 123.4951 53.5212 43.8442 176.0863 117 S 4.5242 8.6708 119.4873 57.4137 62.7554 172.8180 118 L 4.9043 9.0412 128.0059 53.1076 44.0677 177.8258 119 R 4.3891 9.6411 120.3054 56.0374 32.5847 175.6548 120 Y 4.3513 7.6572 116.4165 55.7301 38.9698 176.1665 121 F 4.2546 9.1656 122.0402 60.3041 37.5176 177.3815 122 F 4.1816 6.2891 113.8508 59.0062 37.8284 177.5258 123 V 3.2607 6.5716 119.1950 65.3552 31.2028 177.9482 124 R 3.7564 7.5818 118.2017 59.1147 29.6218 178.4634 125 K 4.3788 8.2601 118.4911 59.4747 32.0991 179.5129 126 V 3.6748 7.7483 118.6022 66.2381 31.3966 178.1992 127 L 4.1865 7.8153 116.9670 57.6179 41.4008 179.2465 128 F 4.5426 8.1197 117.4309 59.7808 39.2319 176.9718 129 V 4.2622 7.6895 109.8201 61.3977 32.6783 177.6207 130 R 3.9149 7.9733 118.3869 58.9662 29.3891 176.2993 131 Y 4.8525 7.5322 112.2761 57.2280 39.6630 174.5061 132 A 4.4148 7.8271 123.2954 52.3610 18.7893 178.6557 133 V 4.4938 8.8290 115.0388 60.0560 32.5824 176.0867 134 G 4.5349 6.6911 110.3513 46.2358 0.0000 171.9012 135 F 5.3074 8.8588 123.9044 56.1675 43.0896 173.3839 136 V 5.0267 9.0559 126.3060 61.1991 34.1419 173.9526 137 F 5.4635 9.8559 127.2728 55.9702 41.1623 175.1472 138 L 5.2390 9.0130 124.2077 52.2561 44.2118 174.7341 139 P 3.5157 0.0000 0.0000 63.5901 31.9416 176.1299 140 G 4.1095 7.4867 112.1294 44.9025 0.0000 172.1383 141 G 4.1055 8.0987 110.0099 44.8189 0.0000 175.0373 142 F 4.6178 9.0813 120.8269 60.7099 38.7851 176.8639 143 G 4.0661 8.4616 104.5683 48.6614 0.0000 175.4660 144 T 3.9433 8.1768 117.9811 66.0716 68.5504 176.4382 145 L 4.0000 8.1409 122.3314 57.9885 42.1178 178.4016 146 D 4.1949 8.3928 118.4011 57.5306 41.2296 178.0237 147 E 3.7506 7.8706 119.5929 58.7603 29.3298 178.6428 148 L 2.6617 7.3679 120.4939 57.7683 42.0882 178.8312 149 S 3.9957 8.0896 115.4953 61.7163 62.7097 176.4872 150 E 3.9372 8.0916 120.8922 59.5213 29.2539 179.4282 151 V 3.6853 7.5647 117.8520 66.2558 31.5647 177.9713 152 L 3.9183 7.9592 118.6623 57.9375 41.3955 179.8230 153 V 3.6607 7.9482 118.1084 65.8609 31.4381 178.1330 154 L 4.0062 8.1899 119.0207 57.5819 41.5339 179.5406 155 L 3.7727 8.0245 118.9675 57.8137 41.4163 179.0498 156 Q 3.9183 8.1188 118.4011 59.5108 29.0699 178.0544 157 T 4.1777 7.9213 113.2742 62.8318 69.1068 174.3002 158 E 3.7422 7.7607 119.2566 57.5526 27.1664 175.3391 159 K 4.3451 8.6120 118.0028 57.1230 32.8899 177.3882 160 V 4.5673 7.1893 116.9339 59.8203 34.1972 173.9537 161 H 4.3896 8.6416 116.6466 55.5188 28.9264 175.2204 162 R 4.0133 8.2687 117.0937 56.0094 30.4678 175.5356 163 F 5.0525 7.2367 112.4733 55.2058 40.6318 172.0488 164 P 4.3891 0.0000 0.0000 62.7915 32.9818 175.3328 165 V 5.0831 7.8696 121.5598 61.2464 34.7303 174.0299 166 F 5.4239 9.7257 126.3828 55.6622 42.6714 174.2204 167 L 4.8077 8.8854 122.7359 52.8871 43.7682 175.6939 168 L 5.2371 8.8052 124.8908 54.8618 42.8060 175.0700 169 D 4.6276 9.2126 123.3530 54.6397 38.5035 174.4010 170 R 4.2907 8.8245 123.1900 58.7404 30.6444 178.3304 171 G 3.8119 8.2682 104.9624 48.0453 0.0000 174.7519 172 Y 3.9622 8.6037 121.9006 59.9941 39.1495 177.7765 173 W 4.5448 8.3061 117.1969 56.9646 29.2896 177.5226 174 E 4.1020 8.1753 121.1815 59.8320 28.8953 179.0365 175 G 3.7193 8.1317 104.7270 47.6947 0.0000 175.1654 176 L 4.1796 7.9126 121.9367 58.2861 42.4049 179.3342 177 V 3.7891 8.0744 112.3316 64.3686 31.3388 178.8999 178 R 4.0747 8.0722 117.9148 58.8985 29.9721 178.7054 179 W 4.3153 8.1706 128.4093 60.6223 30.7853 178.0622 180 L 3.8274 8.5309 118.9756 57.5529 41.0126 179.3686 181 A 4.0248 8.1440 121.0274 54.8588 18.3012 179.4054 182 F 4.1108 8.4612 119.6795 61.4201 39.3907 177.2374 183 L 3.4022 7.4877 118.5146 57.7461 41.3562 179.6195 184 R 3.7427 7.7181 118.2821 59.3393 29.7310 178.3014 185 D 4.2859 7.6680 118.1023 57.2154 40.9251 178.0494 186 Q 3.9034 7.7320 115.9842 55.7660 27.6159 176.8884 187 K 3.8032 7.7023 118.9065 56.8353 30.1783 177.5634 188 A 4.0234 7.9170 123.3803 53.7575 18.5016 178.5749 189 V 4.4474 6.8121 114.1183 59.3239 34.7037 175.7840 190 G 3.8149 9.1445 110.4666 44.3266 0.0000 172.9587 191 P 4.1690 0.0000 0.0000 64.9558 31.5209 177.3296 192 E 4.5532 7.8596 114.2894 55.9435 30.4560 177.3018 193 D 4.3837 8.0296 120.8605 56.9401 40.9599 178.2840 194 L 4.0236 7.6006 117.2443 56.4339 41.6070 177.7783 195 Q 3.8704 7.7118 117.5059 57.4212 28.8101 177.5844 196 L 4.0977 7.0917 117.6405 56.1644 41.6274 176.1066 197 F 5.2066 6.8737 112.2612 55.7352 41.4718 173.8059 198 R 4.7421 8.6745 114.3282 54.8418 32.7352 174.4767 199 L 5.0378 8.6790 121.8552 55.0096 43.1629 176.1240 200 T 4.7455 8.9396 110.6628 61.2057 71.7872 174.1627 201 D 4.7026 9.0760 122.5846 55.2035 42.1479 176.6580 202 E 4.8285 8.6459 118.2833 53.0575 33.3534 174.8217 203 P 4.1907 0.0000 0.0000 65.8320 31.3720 178.3559 204 E 3.9034 8.2864 117.4589 59.6051 29.2719 178.7320 205 E 3.9224 7.9953 117.8646 59.2921 29.5060 179.4574 206 V 2.8068 7.4894 117.6862 65.8699 31.6269 178.1483 207 V 3.3592 7.5820 117.7375 65.5895 30.9849 177.8586 208 Q 3.8898 7.6422 118.6518 59.2432 29.1280 177.7706 209 A 4.2000 8.0608 120.6519 54.8485 18.4915 179.4978 210 L 4.1453 7.9986 117.8464 58.1260 41.5757 179.5785 211 K 4.4581 8.2154 117.8931 57.2688 32.5986 177.0306 212 A 4.5751 7.5601 122.2439 50.7354 17.7412 176.2223 213 E 4.4645 8.2471 121.2940 55.9759 31.7050 174.2559 214 A 4.0551 8.8191 120.2032 52.5636 18.8916 176.0423 215 P 4.4438 0.0000 0.0000 62.8064 31.4069 176.4196 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 K 8.31 4.28 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 4 K 7.71 4.32 0.00 1.87 1.80 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.52 7.81 5 P 0.00 4.32 0.00 2.48 1.99 0.00 3.66 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 2.13 2.09 0.00 6 L 8.49 3.79 0.00 1.65 1.68 0.51 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.01 3.89 1.95 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 1.02 0.00 0.00 8 D 8.02 4.59 0.00 2.81 2.75 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 9 Q 7.96 4.38 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 10 L 7.51 4.30 0.00 1.74 1.57 1.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.19 4.90 0.00 3.11 3.05 0.00 5.62 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.86 4.33 0.00 3.22 3.42 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.72 4.31 0.00 1.86 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 0.00 2.17 1.81 0.00 14 D 7.31 4.07 0.00 2.21 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 0.00 0.00 0.00 0.00 15 S 8.21 4.25 0.00 4.15 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.55 4.44 0.00 3.61 3.45 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 17 R 6.85 4.07 0.00 1.60 2.02 0.00 3.13 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.75 0.00 18 L 7.76 3.98 0.00 1.82 1.55 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.29 4.15 0.00 3.34 3.16 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 20 R 8.14 4.08 0.00 2.12 2.30 0.00 3.23 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 21 I 7.33 3.42 1.92 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 -0.09 0.96 0.00 0.00 22 L 7.73 4.08 0.00 1.78 1.90 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.47 4.08 1.46 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 0.00 0.00 24 E 8.18 3.80 0.00 1.80 1.73 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 2.27 2.67 0.00 25 F 7.75 3.84 0.00 3.23 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 26 V 8.03 3.76 2.29 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 1.12 0.00 0.00 1.12 0.00 0.00 27 E 8.60 4.14 0.00 2.07 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 2.35 2.51 0.00 28 G 8.11 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.12 4.88 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.49 3.97 0.00 2.17 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 0.00 2.33 2.46 0.00 31 T 7.68 3.87 4.29 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 1.18 0.00 0.00 32 L 7.96 4.00 0.00 1.71 1.43 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.89 3.56 0.00 3.97 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 34 E 7.67 4.06 0.00 1.85 2.01 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 0.00 116 L 8.67 4.45 0.00 1.67 1.51 0.86 0.38 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 0.00 117 S 8.67 4.52 0.00 3.85 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 0.00 118 L 9.04 4.90 0.00 1.60 1.37 0.74 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 119 R 9.64 4.39 0.00 1.49 1.39 0.00 3.09 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 120 Y 7.66 4.35 0.00 2.53 1.59 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 0.00 0.00 0.00 0.00 121 F 9.17 4.25 0.00 3.43 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 0.00 122 F 6.29 4.18 0.00 3.15 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 0.00 123 V 6.57 3.26 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 -0.36 0.00 0.00 124 R 7.58 3.76 0.00 1.85 2.15 0.00 3.43 0.00 0.00 3.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 125 K 8.26 4.38 0.00 2.16 2.07 0.00 1.92 0.00 0.00 2.02 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.97 1.87 7.81 126 V 7.75 3.67 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 1.37 0.00 0.00 1.27 0.00 0.00 127 L 7.82 4.19 0.00 1.67 1.69 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.12 4.54 0.00 3.57 3.33 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 0.00 129 V 7.69 4.26 2.40 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 1.34 0.00 0.00 1.22 0.00 0.00 130 R 7.97 3.91 0.00 1.88 1.68 0.00 2.98 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 131 Y 7.53 4.85 0.00 3.10 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 0.00 132 A 7.83 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.83 4.49 2.27 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 0.84 0.00 0.00 1.18 0.00 0.00 134 G 6.69 4.53 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 0.00 0.00 0.00 135 F 8.86 5.31 0.00 3.13 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 0.00 136 V 9.06 5.03 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 0.98 0.00 0.00 0.93 0.00 0.00 137 F 9.86 5.46 0.00 2.92 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 0.00 138 L 9.01 5.24 0.00 1.65 1.72 0.95 1.44 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 0.00 139 P 0.00 3.52 0.00 1.91 0.49 0.00 3.68 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 140 G 7.49 4.11 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 0.00 141 G 8.10 4.11 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 0.00 142 F 9.08 4.62 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 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 0.00 0.00 0.00 144 T 8.18 3.94 4.43 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 1.78 0.00 0.00 145 L 8.14 4.00 0.00 1.84 1.90 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.39 4.19 0.00 2.78 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 0.00 147 E 7.87 3.75 0.00 1.23 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 1.57 2.01 0.00 148 L 7.37 2.66 0.00 1.31 1.37 0.48 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.09 4.00 0.00 3.95 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 0.00 150 E 8.09 3.94 0.00 2.21 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 2.38 2.56 0.00 151 V 7.56 3.69 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 1.27 0.00 0.00 0.97 0.00 0.00 152 L 7.96 3.92 0.00 1.77 1.68 0.73 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.95 3.66 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 1.11 0.00 0.00 0.92 0.00 0.00 154 L 8.19 4.01 0.00 1.78 1.75 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.02 3.77 0.00 1.76 1.54 0.15 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.12 3.92 0.00 1.99 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 157 T 7.92 4.18 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 158 E 7.76 3.74 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 159 K 8.61 4.35 0.00 1.71 1.88 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.37 7.81 160 V 7.19 4.57 2.17 0.00 0.00 0.00 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 1.01 0.00 0.00 161 H 8.64 4.39 0.00 3.37 3.42 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.27 4.01 0.00 1.81 1.87 0.00 3.17 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 163 F 7.24 5.05 0.00 3.09 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 0.00 164 P 0.00 4.39 0.00 2.25 1.85 0.00 3.95 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 165 V 7.87 5.08 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 1.17 0.00 0.00 1.21 0.00 0.00 166 F 9.73 5.42 0.00 3.05 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 0.00 167 L 8.89 4.81 0.00 1.24 0.38 -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 168 L 8.81 5.24 0.00 1.73 1.78 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 169 D 9.21 4.63 0.00 3.02 3.12 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 0.00 170 R 8.82 4.29 0.00 1.89 2.12 0.00 3.56 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 171 G 8.27 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.60 3.96 0.00 3.18 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 0.00 173 W 8.31 4.54 0.00 3.50 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 0.00 174 E 8.18 4.10 0.00 2.42 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 0.00 2.36 2.47 0.00 175 G 8.13 3.72 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 0.00 0.00 0.00 176 L 7.91 4.18 0.00 1.81 2.08 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 177 V 8.07 3.79 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 1.05 0.00 0.00 1.13 0.00 0.00 178 R 8.07 4.07 0.00 1.95 2.08 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 179 W 8.17 4.32 0.00 3.47 3.52 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 0.00 180 L 8.53 3.83 0.00 2.05 1.78 0.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.14 4.02 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 0.00 182 F 8.46 4.11 0.00 3.07 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 0.00 183 L 7.49 3.40 0.00 1.62 1.37 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 184 R 7.72 3.74 0.00 1.82 1.97 0.00 3.03 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 185 D 7.67 4.29 0.00 2.72 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 0.00 186 Q 7.73 3.90 0.00 1.60 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.27 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 187 K 7.70 3.80 0.00 1.95 1.85 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.34 7.81 188 A 7.92 4.02 1.09 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 0.00 0.00 189 V 6.81 4.45 1.95 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 0.66 0.00 0.00 0.86 0.00 0.00 190 G 9.14 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 P 0.00 4.17 0.00 2.00 2.11 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 192 E 7.86 4.55 0.00 1.89 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 2.23 2.17 0.00 193 D 8.03 4.38 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 L 7.60 4.02 0.00 1.46 1.42 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 195 Q 7.71 3.87 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.55 0.00 196 L 7.09 4.10 0.00 1.72 1.72 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 197 F 6.87 5.21 0.00 2.83 2.86 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 0.00 198 R 8.67 4.74 0.00 1.93 1.93 0.00 2.75 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.65 0.00 199 L 8.68 5.04 0.00 1.66 1.75 1.04 1.04 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 0.00 200 T 8.94 4.75 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 201 D 9.08 4.70 0.00 2.74 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 0.00 202 E 8.65 4.83 0.00 1.94 1.80 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 2.24 2.41 0.00 203 P 0.00 4.19 0.00 2.15 2.09 0.00 3.64 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 2.14 2.18 0.00 204 E 8.29 3.90 0.00 2.07 1.97 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 2.39 2.49 0.00 205 E 8.00 3.92 0.00 2.17 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 0.00 2.34 2.33 0.00 206 V 7.49 2.81 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 0.02 0.00 0.00 0.67 0.00 0.00 207 V 7.58 3.36 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 1.01 0.00 0.00 0.88 0.00 0.00 208 Q 7.64 3.89 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 209 A 8.06 4.20 1.50 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 0.00 0.00 210 L 8.00 4.15 0.00 1.68 1.36 0.23 0.54 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 0.00 211 K 8.22 4.46 0.00 1.99 2.00 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.68 1.74 7.81 212 A 7.56 4.58 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.25 4.46 0.00 2.21 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 2.36 2.44 0.00 214 A 8.82 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 P 0.00 4.44 0.00 2.06 1.99 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.