NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4374 8.1927 115.4123 57.7038 64.5605 174.1016 -1 N 4.1114 8.5269 118.1915 56.3220 38.5833 175.0523 0 A 3.9398 8.3271 123.6801 54.5375 18.6574 179.0058 1 A 3.8605 7.1976 118.6065 55.1806 18.6917 179.0274 2 L 4.0704 7.4866 117.0688 58.5980 42.4024 179.1333 3 K 4.1918 8.3190 118.3459 59.1768 31.8646 179.1097 4 L 4.1268 7.4883 115.9337 56.5182 41.6318 178.2451 4 Q 4.1268 7.6483 113.9337 57.1183 28.6317 176.6451 7 Y 3.9339 8.7455 118.6449 60.7586 38.6898 178.2324 8 I 3.8695 7.8613 120.3923 64.3517 37.4301 178.4488 9 G 3.5843 8.0588 106.1037 47.7468 0.0000 175.1003 10 D 4.1814 7.9105 119.6656 56.9125 41.3821 177.6954 11 A 3.7699 8.0091 121.5853 55.4740 18.0880 179.6859 12 I 3.6612 7.6748 116.9480 64.2265 37.2531 178.2476 13 G 3.8169 7.7177 103.8010 45.8294 0.0000 174.0677 14 T 4.3300 7.3701 109.5998 61.4190 70.6993 174.2262 15 I 4.1526 7.3942 123.0348 59.5092 36.9617 175.4381 16 R 3.9227 8.5343 126.9096 58.9694 30.4316 176.9315 17 D 4.5904 7.9840 118.5980 52.8987 42.0724 174.6666 18 P 4.3598 0.0000 0.0000 66.1506 31.3943 178.2730 19 Q 4.1899 8.5255 119.6709 58.9047 29.0246 177.9261 20 E 4.1065 8.4241 118.0719 58.7330 29.8089 178.3859 21 L 3.7459 8.2597 122.1585 58.3987 41.9863 179.1014 22 F 3.9422 7.9373 117.2040 59.9686 38.7080 178.0764 23 R 4.2274 8.0112 117.9667 59.7094 29.9836 179.2211 24 T 3.9393 8.0887 115.4444 66.7509 68.2728 177.0941 25 V 3.8020 7.7854 119.0382 66.1354 31.8073 177.9773 26 T 4.3090 8.3087 115.7660 66.9950 68.3191 176.4943 27 D 4.4851 8.3019 120.7610 57.1912 40.6354 178.7450 28 K 3.9766 8.1396 119.5968 59.0220 32.1458 178.8145 29 L 4.3309 8.1142 119.3143 57.5151 41.8732 179.2444 30 R 4.4814 7.7732 119.0256 57.9473 29.7248 178.7235 31 L 3.7890 7.5288 118.5230 56.6980 41.6325 177.6750 32 L 4.3135 7.0650 114.5070 54.1157 43.6060 176.3644 33 F 4.7858 8.0686 117.6905 55.4326 41.8987 173.7179 34 A 4.3723 8.7133 129.1241 50.8257 18.7630 175.5893 35 F 4.9345 7.2242 115.5493 56.3165 40.9496 174.0716 36 D 4.6288 9.9103 119.9040 56.5153 40.8616 176.0771 37 S 5.0786 8.2643 112.6049 56.8406 67.7369 172.1738 38 A 5.6245 8.7959 122.5559 50.5108 22.5426 175.6733 39 V 4.7747 8.6865 117.7038 60.2507 35.7028 174.0017 40 I 4.9536 9.2680 123.5744 59.7477 39.8238 174.5231 41 I 5.1167 8.8265 128.1949 59.6504 40.2977 174.6336 42 T 4.8025 8.9377 117.0570 60.4025 70.8748 173.6571 43 I 4.7799 8.6061 125.4313 59.9332 39.8906 175.3898 44 D 4.5784 8.6971 124.6238 52.1439 41.8893 175.8818 45 R 3.8958 8.5580 125.0269 59.0190 30.6312 177.9081 46 E 4.0846 8.1118 116.2603 59.6473 29.5719 178.5580 47 R 3.9692 8.1940 115.9452 57.0359 30.6965 176.7946 48 R 3.8304 7.8724 116.6403 57.5670 27.9871 174.8168 49 E 5.2903 7.7526 114.6169 54.6658 34.8512 175.5991 50 A 5.2637 9.0142 121.4790 50.5723 23.1130 175.3604 51 S 5.2440 9.0803 115.7937 56.4774 67.0483 173.7366 52 V 3.9919 8.6628 124.4037 63.3363 31.2796 174.8430 53 F 4.5737 9.5586 130.9019 59.5759 40.2801 175.4079 54 F 5.0465 8.2470 120.1004 56.3768 43.0608 172.8806 55 E 4.6132 6.9987 120.9625 54.6465 32.8299 174.2838 *57 L 3.7637 8.3513 117.7275 55.1876 42.4788 176.8411 58 R 4.5500 7.5543 118.6475 55.3878 30.4409 175.9992 59 F 4.8858 6.8439 110.8464 55.8784 40.4193 172.8283 60 E 4.5775 8.7112 122.1436 55.0841 30.8731 175.1962 61 L 4.8189 8.1264 123.0483 52.0653 44.0549 174.8363 62 P 4.2902 0.0000 0.0000 62.8842 31.9251 176.9017 63 E 3.8517 9.0311 123.0905 59.5246 29.3892 178.0073 64 Q 4.2909 7.9848 112.9569 56.9164 29.2721 175.8927 65 L 4.7210 8.0212 118.5582 54.8892 42.0034 177.3018 66 R 4.3329 7.6018 118.1228 56.9980 30.8920 176.7910 67 H 4.2359 7.8298 115.2762 56.0740 29.4269 174.5159 68 Q 4.2285 9.1108 125.7397 59.3092 29.6088 176.1867 69 T 5.2661 7.8063 113.2657 61.7050 71.5010 173.4040 70 R 4.7125 8.7047 120.8411 54.7285 33.3292 174.5278 71 S 4.5794 8.7021 115.6013 58.5577 63.1923 173.8062 72 I 4.3695 8.8108 118.6682 60.0313 38.0218 174.9495 73 A 4.2395 7.5625 124.9323 54.2290 18.3075 178.3332 74 G 3.9022 9.3839 111.4228 46.1937 0.0000 173.5464 75 T 4.5968 7.6408 110.3749 59.2431 70.4988 175.9039 76 W 4.2848 8.8806 119.1548 59.3717 28.5292 178.2309 77 L 3.1408 6.1918 120.1192 57.5102 41.0419 178.4274 78 E 3.9751 7.5674 118.1515 58.7805 29.5970 178.2919 79 G 3.7909 7.5059 102.2398 45.9915 0.0000 173.5962 80 H 5.1109 7.8495 117.2424 54.7723 29.1474 176.4224 81 L 4.2366 7.9371 120.0610 56.8884 41.5604 177.2877 82 D 4.7735 7.8600 116.6014 53.7320 41.1307 176.1510 83 D 4.4647 8.0217 121.5939 54.6620 41.2910 177.1872 84 R 4.0857 8.6660 123.8199 57.5099 30.9239 176.2163 85 T 4.5596 7.4072 105.8817 59.2317 71.0986 173.9274 86 V 3.8715 8.1186 122.6014 63.4663 32.3128 175.0310 87 T 4.5197 8.9195 125.0630 61.9159 70.5354 173.5967 88 V 4.5777 8.2573 125.6850 60.9231 33.8192 174.4983 89 A 4.8367 8.5996 128.4770 50.2690 23.2046 175.0385 90 S 4.4745 9.5594 117.7288 58.2477 63.0610 175.2006 91 I 3.2426 8.5160 128.9733 64.3251 36.8798 177.3866 92 A 3.3290 7.4119 119.7637 52.8590 18.8923 177.8275 93 R 4.4475 7.5115 113.0205 56.6739 32.2312 176.5483 94 D 4.6247 7.9578 114.7408 53.9938 41.5317 176.1972 95 I 4.3974 7.1898 120.6875 58.6447 38.7193 174.4337 96 P 4.2976 0.0000 0.0000 65.2797 31.4035 178.2765 97 S 4.3350 8.0696 113.4772 60.0578 63.2493 173.9722 98 F 4.3225 7.9391 123.7105 59.6643 39.6872 173.2567 99 G 3.5736 8.4278 118.3850 45.4112 0.0000 174.0299 100 A 3.9333 6.9371 122.5177 51.6300 18.7546 177.9104 101 D 4.3945 8.4604 118.5177 54.6163 39.3402 177.4738 102 G 3.7933 7.8345 108.2582 46.9845 0.0000 174.1387 103 A 4.8241 7.8462 122.8810 49.4183 18.9537 174.5490 104 P 4.4099 0.0000 0.0000 64.3798 31.9820 177.9879 105 L 4.0549 8.0083 119.1239 58.0182 42.1975 178.4165 106 L 3.9954 8.2092 118.5907 57.7630 41.6156 179.1795 107 W 4.3554 8.1207 127.9146 60.9332 30.2766 177.7731 108 T 3.8204 8.1135 115.5786 66.8407 67.7351 176.1872 109 L 3.8602 7.6256 119.0462 58.0941 41.8970 178.9272 110 H 4.0015 8.1365 117.7725 59.1313 29.6040 176.5859 111 E 3.6740 8.0258 119.9894 59.4363 29.5016 178.5740 112 L 4.2066 8.4958 116.7851 54.9797 42.5042 176.7501 113 G 3.5224 8.2196 109.2153 45.8670 0.0000 173.6022 *115 R 4.1951 8.0054 124.2001 55.3628 33.4161 174.8715 116 Q 5.0084 8.1669 119.1878 54.1128 32.6878 174.1602 117 I 5.2142 8.8564 125.1873 59.3255 42.0503 174.1166 118 V 4.7658 8.5749 120.9090 59.4494 35.2019 174.3486 119 L 4.8349 8.8247 125.1078 53.0672 44.0139 175.4643 120 S 4.8762 9.0142 118.9056 55.3554 64.7749 171.2358 121 P 4.2199 0.0000 0.0000 62.9724 31.9997 175.5902 122 L 4.5521 8.5126 123.3957 53.1985 43.5335 175.6808 123 R 4.9848 8.3793 122.3333 54.3289 33.8843 174.9469 124 S 4.2996 8.6407 117.5926 57.2621 65.0847 174.1006 125 G 4.1310 9.9162 118.8376 46.6410 0.0000 173.0899 126 G 3.9970 8.1999 105.5989 44.8440 0.0000 173.1923 127 R 4.3553 7.3120 119.7461 54.3276 31.4606 175.2744 128 V 4.0387 8.1359 124.9684 62.5588 31.8756 175.3726 129 I 3.9958 8.3810 121.7856 62.1156 39.6030 175.3843 130 G 3.8395 6.7684 107.1017 46.3405 0.0000 171.8554 131 F 5.2908 8.3600 117.3039 55.7063 43.7146 173.8394 132 L 4.8689 8.8606 125.1091 53.9945 43.9574 175.1938 133 S 5.4560 8.4869 119.0113 56.0153 66.4372 172.4767 134 F 5.6870 8.5045 123.3948 55.8821 42.7266 174.3852 135 V 5.2293 9.0273 114.2228 60.0418 35.5562 174.9259 136 S 5.0576 8.9410 118.0646 57.0787 67.1105 175.3035 137 A 4.3760 8.7387 124.6903 54.1519 18.6757 178.2756 138 E 4.4140 7.9189 114.1215 55.7023 30.6065 177.0150 139 E 4.3927 8.3706 123.2332 54.8397 28.2466 176.0666 140 K 4.1566 8.1866 123.2055 55.5234 33.3191 176.1571 141 L 4.1425 8.3214 126.0782 54.6092 42.4547 176.3844 142 W 4.6360 8.7430 126.8137 54.8978 29.3409 176.5471 143 S 4.4781 8.8052 119.6875 57.8802 64.5594 174.6615 144 D 4.5149 8.7107 121.1103 57.4488 41.0148 178.3292 145 G 3.7344 8.1670 105.7995 47.8688 0.0000 174.9798 146 D 4.7074 8.7967 121.7061 57.4551 40.8774 179.3210 147 K 4.2221 8.5006 118.7426 59.5433 32.0731 179.5809 148 S 4.1816 8.7501 115.9036 61.4969 62.8027 176.3922 149 L 4.0513 8.1951 122.8963 58.2883 41.8015 178.7383 150 L 4.0950 8.3867 120.1442 58.2006 42.1030 178.8011 151 S 4.1416 8.5261 113.4860 61.4142 62.1616 176.1703 152 G 3.7876 8.6672 108.9442 48.0473 0.0000 175.9117 153 V 3.8841 8.0998 121.6441 64.5403 31.4436 178.6682 154 S 4.1880 8.4421 115.9884 61.1180 62.3355 176.7444 155 S 4.0926 7.8340 117.9247 61.8554 62.6203 176.9345 156 S 4.1513 7.6025 117.7753 61.6605 62.5768 176.8784 157 I 3.8526 7.7563 122.1672 63.9470 36.6727 178.3074 158 A 3.8801 8.1829 122.3013 55.3800 18.1598 179.8017 159 I 3.6483 7.5487 117.8897 63.9944 37.1958 178.4495 160 A 3.9776 8.1279 121.9649 55.1989 18.1794 179.9277 161 V 3.3203 7.8717 116.6693 65.8759 31.6212 177.8464 162 S 3.9478 8.0473 113.2498 61.8441 62.1303 176.1624 163 N 3.9575 8.2937 118.7140 55.9388 38.1741 177.3773 164 A 3.9952 7.6348 121.7524 55.2214 18.7098 179.6994 165 L 4.0189 8.1194 117.3406 57.6502 41.5526 179.8009 166 A 3.9307 7.6234 120.6412 55.5429 18.4308 179.3082 167 Y 4.5198 7.6009 115.1453 61.1327 37.6032 178.8500 168 E 3.9598 8.0546 119.7235 59.1748 30.0751 178.0285 169 E 4.0974 8.0633 118.9413 59.4919 29.8195 178.5912 170 L 4.0257 8.4369 119.5950 57.7353 41.5208 179.0712 171 R 4.3671 7.7666 113.1769 57.4028 29.9111 178.0121 172 Q 4.2380 7.9494 119.0705 58.7484 29.2852 177.8379 173 R 4.0962 7.8979 116.6800 58.0275 30.2151 176.7494 174 E 4.2355 7.6153 122.6188 56.4696 29.7965 175.8929 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 S 8.19 4.44 0.00 4.00 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 -1 N 8.53 4.11 0.00 2.89 2.85 0.00 0.00 6.76 7.12 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 A 8.33 3.94 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 1 A 7.20 3.86 1.40 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 0.00 0.00 2 L 7.49 4.07 0.00 1.70 1.90 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.32 4.19 0.00 1.92 1.88 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.58 7.81 4 L 7.49 4.13 0.00 1.85 1.84 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.65 4.13 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 7 Y 8.75 3.93 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 8 I 7.86 3.87 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.02 0.96 0.00 0.00 9 G 8.06 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.91 4.18 0.00 2.81 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.01 3.77 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 12 I 7.67 3.66 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.56 0.86 0.00 0.00 13 G 7.72 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.37 4.33 4.19 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 1.15 0.00 0.00 15 I 7.39 4.15 1.84 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 1.13 0.60 0.93 0.00 0.00 16 R 8.53 3.92 0.00 1.76 1.95 0.00 3.21 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 17 D 7.98 4.59 0.00 2.77 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 18 P 0.00 4.36 0.00 2.53 2.53 0.00 3.82 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 19 Q 8.53 4.19 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 20 E 8.42 4.11 0.00 2.27 2.24 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 2.42 2.45 0.00 21 L 8.26 3.75 0.00 1.64 1.52 0.66 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.94 3.94 0.00 2.31 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 0.00 0.00 0.00 23 R 8.01 4.23 0.00 2.19 2.11 0.00 3.30 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.09 0.00 24 T 8.09 3.94 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 25 V 7.79 3.80 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 0.96 0.00 0.00 0.93 0.00 0.00 26 T 8.31 4.31 4.64 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 0.00 0.00 0.00 1.62 0.00 0.00 27 D 8.30 4.49 0.00 2.88 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 28 K 8.14 3.98 0.00 2.04 1.82 0.00 1.27 0.00 0.00 1.37 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.35 1.18 7.81 29 L 8.11 4.33 0.00 2.43 2.30 1.29 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.77 4.48 0.00 1.83 1.73 0.00 3.03 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.59 0.00 31 L 7.53 3.79 0.00 1.48 1.63 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.07 4.31 0.00 1.14 0.79 0.81 0.54 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 33 F 8.07 4.79 0.00 3.51 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 34 A 8.71 4.37 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 35 F 7.22 4.93 0.00 3.12 2.94 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 36 D 9.91 4.63 0.00 2.78 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 37 S 8.26 5.08 0.00 3.88 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 38 A 8.80 5.62 1.49 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 0.00 0.00 39 V 8.69 4.77 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 0.75 0.00 0.00 1.01 0.00 0.00 40 I 9.27 4.95 2.04 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.69 0.00 0.00 41 I 8.83 5.12 1.97 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 1.33 0.76 0.98 0.00 0.00 42 T 8.94 4.80 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 1.07 0.00 0.00 43 I 8.61 4.78 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 0.90 0.00 0.00 44 D 8.70 4.58 0.00 2.67 2.48 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 45 R 8.56 3.90 0.00 1.77 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122 L 8.51 4.55 0.00 1.44 1.42 0.89 0.67 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 0.00 123 R 8.38 4.98 0.00 1.55 1.70 0.00 3.28 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 124 S 8.64 4.30 0.00 3.72 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 9.92 4.13 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 0.00 0.00 0.00 126 G 8.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.31 4.36 0.00 1.75 1.72 0.00 3.03 0.00 0.00 3.04 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 128 V 8.14 4.04 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 0.37 0.00 0.00 0.78 0.00 0.00 129 I 8.38 4.00 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.85 0.00 0.00 130 G 6.77 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 0.00 0.00 0.00 0.00 131 F 8.36 5.29 0.00 2.83 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 0.00 132 L 8.86 4.87 0.00 1.64 1.34 0.81 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.49 5.46 0.00 3.80 3.57 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 0.00 134 F 8.50 5.69 0.00 2.79 2.59 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 0.00 135 V 9.03 5.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.27 0.00 0.00 136 S 8.94 5.06 0.00 4.05 3.80 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 0.00 137 A 8.74 4.38 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 E 7.92 4.41 0.00 2.00 1.90 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 2.28 2.33 0.00 139 E 8.37 4.39 0.00 1.98 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 2.29 2.29 0.00 140 K 8.19 4.16 0.00 1.73 1.82 0.00 1.70 0.00 0.00 1.16 0.00 0.00 2.63 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.19 1.26 7.81 141 L 8.32 4.14 0.00 1.66 1.56 0.99 1.01 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 0.00 142 W 8.74 4.64 0.00 3.34 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.81 4.48 0.00 4.11 4.04 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 0.00 144 D 8.71 4.51 0.00 2.87 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 0.00 145 G 8.17 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.80 4.71 0.00 3.15 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 0.00 147 K 8.50 4.22 0.00 2.09 1.93 0.00 1.85 0.00 0.00 2.03 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.77 7.81 148 S 8.75 4.18 0.00 4.05 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 0.00 149 L 8.20 4.05 0.00 2.15 2.24 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.39 4.09 0.00 1.95 1.79 0.76 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.53 4.14 0.00 4.11 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 0.00 152 G 8.67 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 0.00 153 V 8.10 3.88 2.32 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 1.11 0.00 0.00 1.07 0.00 0.00 154 S 8.44 4.19 0.00 4.07 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 0.00 155 S 7.83 4.09 0.00 4.13 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 0.00 156 S 7.60 4.15 0.00 3.99 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 0.00 157 I 7.76 3.85 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 1.06 0.00 0.00 158 A 8.18 3.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.55 3.65 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.89 0.87 0.00 0.00 160 A 8.13 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 7.87 3.32 1.72 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 -0.40 0.00 0.00 0.57 0.00 0.00 162 S 8.05 3.95 0.00 3.84 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 0.00 163 N 8.29 3.96 0.00 2.84 2.36 0.00 0.00 6.98 8.03 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 0.00 164 A 7.63 4.00 1.66 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 0.00 165 L 8.12 4.02 0.00 1.87 1.71 1.10 0.84 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 0.00 166 A 7.62 3.93 1.24 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 0.00 0.00 0.00 167 Y 7.60 4.52 0.00 3.21 2.97 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 0.00 168 E 8.05 3.96 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 169 E 8.06 4.10 0.00 2.35 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 2.33 2.51 0.00 170 L 8.44 4.03 0.00 2.05 1.80 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 171 R 7.77 4.37 0.00 2.01 2.08 0.00 3.11 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.70 0.00 172 Q 7.95 4.24 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.99 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 173 R 7.90 4.10 0.00 1.80 2.00 0.00 3.23 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 174 E 7.62 4.24 0.00 2.18 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 0.00 2.33 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.