NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4040 8.3344 115.2865 58.0407 63.5015 172.4322 5 V 4.5450 8.3242 127.0090 60.1530 34.3552 170.8843 6 E 4.7474 9.8059 129.1946 54.4082 32.9953 173.7481 7 L 5.3721 8.5309 126.4668 53.5513 43.9535 175.6096 8 R 4.6648 8.5069 117.9489 55.1379 33.3913 173.7230 9 D 5.0071 8.6692 119.1754 54.4148 41.3819 176.6123 10 A 4.7197 8.8834 124.7247 51.8201 20.0832 176.3423 11 T 4.7376 8.9691 109.0165 58.8004 72.2959 175.2849 12 V 3.1393 8.1636 119.5956 66.0181 31.0160 177.3512 13 D 4.3951 7.6659 117.3078 56.6814 40.9007 177.4203 14 D 4.5557 7.8522 118.1057 54.9276 40.8796 178.1707 15 L 3.8350 7.3210 120.3283 57.8359 41.6608 179.1384 16 S 4.2971 7.9606 112.9223 61.3579 62.8526 176.3520 17 G 3.7748 7.9234 108.7055 47.0218 0.0000 175.0022 18 I 3.6442 7.3467 121.3506 61.4822 37.3801 177.7354 *20 E 4.2335 8.1499 122.0206 56.4277 31.5262 177.7701 21 I 3.7302 7.5133 118.9264 64.4021 37.0995 177.7594 22 Y 3.7242 8.3230 120.6721 60.9135 38.7676 178.0422 23 N 4.2997 8.2267 116.6637 56.2062 38.6146 177.0763 24 D 4.3136 8.1681 120.4262 57.2600 40.7780 178.5921 25 A 4.1245 7.8720 121.2734 54.9470 18.0970 179.8251 26 V 3.3676 7.3005 116.1977 65.9441 31.6167 177.9430 27 V 4.0129 7.5326 116.4438 64.5026 31.6397 176.2958 28 N 4.9609 8.4078 113.4482 52.8390 38.9749 173.5280 29 T 4.7951 7.8863 108.6912 61.0911 71.9516 173.4870 30 T 4.5608 8.4554 108.5347 61.3922 69.2235 175.2217 31 A 4.1939 8.1973 126.6729 54.5334 18.5873 178.3163 32 I 4.5519 7.7332 115.9988 59.6226 39.7460 176.8356 33 W 4.7031 8.6570 128.8561 54.3556 27.6688 175.0782 34 N 4.8502 7.3618 115.2107 52.9133 41.6405 173.4211 35 E 4.4957 8.7179 121.5874 55.7938 30.4792 175.6980 36 V 4.2571 8.4516 120.0069 60.7817 32.4723 176.0923 37 V 3.9489 8.3009 120.9825 61.5508 32.0833 176.1361 38 V 4.3499 8.5566 116.5831 59.9595 33.9823 175.4308 39 D 4.8543 7.9889 121.2392 51.4937 42.8221 176.8823 40 L 3.8589 8.2905 120.1154 58.5094 41.8925 178.2744 41 E 3.9325 8.1859 118.5241 59.2649 29.5277 178.2373 42 N 4.3133 8.4854 117.1443 56.8312 39.0775 177.2321 43 R 4.0261 7.9549 119.2452 58.8659 30.0558 179.2051 44 K 4.2053 8.4089 119.1825 59.5120 31.9433 179.1061 45 D 4.4024 8.2232 119.2574 56.9071 40.7423 178.5656 46 W 4.1004 8.3770 128.9634 60.5033 30.7892 177.7985 47 F 3.7176 9.0393 120.8216 61.1384 38.7473 176.9453 48 A 3.7257 8.2593 120.2256 54.8804 18.0222 179.4178 49 A 3.7895 8.0478 119.4675 55.3060 18.3842 180.1335 50 R 3.7883 7.3939 116.4054 59.6071 30.0759 179.3871 51 T 3.5258 7.2852 115.4240 66.5533 68.1353 176.5397 52 S 3.9546 7.7002 113.9365 61.1924 62.4913 175.6425 53 R 3.9261 7.1227 117.6719 55.6125 29.8536 177.2040 54 G 3.7901 7.3407 106.8770 45.8294 0.0000 173.6193 55 F 4.7853 7.8131 118.8318 56.0812 39.2274 174.0726 56 P 4.3508 0.0000 0.0000 62.6850 33.0924 175.5888 57 V 4.7776 8.2283 120.4406 61.7380 34.6091 173.6549 58 I 5.0650 9.1055 129.5258 59.6406 40.0906 175.4293 59 V 5.0671 8.8306 118.8927 59.5842 35.4307 174.4416 60 A 5.0110 9.1764 125.4018 50.5454 21.2063 175.6633 61 I 4.8346 9.1447 125.0791 59.9912 39.4842 174.8884 62 L 4.7321 8.7977 129.0700 53.4002 45.0750 175.8096 63 D 4.1266 9.5594 126.7922 55.5266 39.3042 174.3410 64 G 3.9340 8.4816 103.4347 45.4351 0.0000 174.0052 65 K 4.5366 7.5475 118.8930 54.0068 34.8612 175.7862 66 V 4.2220 8.2663 120.7180 62.9316 31.3223 175.5302 67 A 4.6115 9.0487 129.6567 51.5613 20.3962 176.0837 68 G 4.4690 7.7866 102.0212 46.3536 0.0000 171.9102 69 Y 5.6793 8.6595 117.9627 56.3854 41.9393 173.3224 70 A 5.0890 9.2544 120.5490 51.5883 23.3685 175.0159 71 S 5.0684 9.1394 113.0401 58.9740 66.7325 173.4166 72 Y 5.2691 7.9001 119.6548 56.2288 41.2329 174.8900 73 G 3.0638 8.5806 105.1177 45.8016 0.0000 172.3860 74 D 4.8895 9.0338 120.1102 54.8921 41.5747 175.8913 75 W 4.7090 8.9111 131.8071 58.5582 31.8638 176.5854 76 R 4.1129 7.4433 114.7774 53.9982 32.6332 176.4795 77 A 4.3109 8.1747 127.1818 50.8777 16.5777 175.9160 78 F 4.8846 7.7324 119.2736 55.1031 44.0594 175.4171 79 D 4.4243 9.3240 124.0760 57.5293 41.0442 178.5694 80 G 3.7121 8.3225 105.9679 47.5717 0.0000 173.2915 81 Y 4.7318 8.4545 117.8779 57.8364 38.2391 177.5295 82 R 4.0333 7.7993 121.9128 59.9026 30.3049 177.0267 83 H 4.9883 8.1575 112.2241 55.8303 30.0236 174.6041 84 T 5.1543 8.5355 115.9418 61.9028 71.1526 173.8221 85 R 4.8557 8.8591 124.0873 54.3669 34.9066 173.6126 86 E 5.4324 9.6224 124.0869 54.3273 31.3186 174.6547 87 H 5.6188 8.8987 122.1141 54.4098 31.5304 174.0966 88 S 4.5237 9.2338 114.7706 56.8951 67.4520 173.3759 89 V 4.6597 7.6534 122.1732 61.2960 34.3498 174.0118 90 Y 4.6948 8.8571 125.0319 56.0528 41.5200 174.4711 91 V 4.8292 8.3331 123.1493 60.8375 34.2586 174.5925 92 H 4.2578 9.3731 128.2729 56.2389 30.2017 176.1054 93 K 3.8427 8.8163 124.3368 59.9081 32.2439 177.0240 94 D 4.8838 8.4367 116.5605 53.9739 40.8539 176.2080 95 A 4.7960 8.2114 119.8860 52.0413 20.0201 177.5595 96 R 4.1388 8.0337 117.4685 58.4492 30.8954 177.0266 97 G 3.8456 8.7656 106.5893 46.4805 0.0000 173.7804 98 H 4.7751 7.9770 114.3104 54.9911 29.7445 175.6606 99 G 3.8914 8.2271 107.6467 46.2072 0.0000 175.7290 100 I 3.8301 7.4403 122.8562 64.1032 36.7770 178.3089 101 G 3.6765 8.0566 105.0125 47.9591 0.0000 175.1261 102 K 4.1036 7.9233 120.6316 59.0341 32.5857 178.6248 103 R 4.1671 7.9484 118.0259 58.9772 29.8929 179.1755 104 L 4.0030 7.9355 115.6349 55.6422 41.3160 178.6219 *106 Q 4.2332 8.0966 122.5513 56.1051 31.0127 177.0932 107 A 4.0882 8.0512 119.6845 55.1449 18.3284 179.6603 108 L 4.1687 8.1115 117.6012 57.9316 41.6309 179.7072 109 I 3.7418 7.7975 119.3635 64.5020 36.8808 178.0418 110 D 4.3616 8.0696 118.6250 57.6319 40.8514 178.0641 111 H 4.3216 8.4717 118.5933 59.0476 29.8550 177.1128 112 A 4.1718 8.8343 123.2152 55.3486 18.0513 179.8858 113 G 3.7312 8.3396 103.0410 47.0645 0.0000 174.9824 114 G 4.1141 7.5237 104.8595 44.1416 0.0000 173.1920 115 N 4.9648 7.9547 119.0295 53.0931 39.4483 173.3381 116 D 4.3534 8.2130 112.0295 54.7191 39.7582 172.9146 117 V 4.2638 7.8327 116.4487 61.3247 32.8772 174.3115 118 H 4.6206 9.1024 127.9527 57.8926 31.4052 175.1006 119 V 4.7488 7.5628 116.7333 60.9232 35.2821 173.9803 120 L 5.1166 8.6270 127.1041 53.0280 44.4939 175.3275 121 I 4.7454 8.7665 124.1154 59.2662 40.3243 174.3199 122 A 4.7971 8.5408 126.9425 49.9262 22.0022 174.8375 123 A 4.8111 8.5145 123.9675 50.3664 20.5097 175.3550 124 I 4.4092 8.5085 122.6068 59.7327 40.5183 175.3223 125 E 4.6775 8.9141 127.1061 56.5273 29.9218 177.1243 126 A 4.0929 8.7644 130.2334 54.7432 18.4962 178.1630 127 E 4.2742 8.8780 112.9056 57.4467 30.2759 177.5305 128 N 4.6960 8.2203 119.5797 52.8892 37.2509 175.0813 129 T 3.9037 8.2179 120.1893 65.8692 68.8296 175.4205 130 A 3.9795 7.9719 122.2413 55.2694 18.4418 179.4693 131 S 4.0068 8.2673 111.5141 61.5488 62.4142 176.3063 132 I 3.6494 7.5720 121.9950 64.6517 36.8741 178.7320 133 R 4.0866 8.1589 118.7668 58.9109 29.5808 178.9542 134 L 3.9205 7.6368 119.6363 58.4579 42.3534 178.4646 135 H 4.1329 8.3457 116.1765 58.9438 28.6264 177.6320 136 E 4.2860 8.5266 120.7948 59.4168 29.0971 179.2097 137 S 4.4302 8.0943 112.4576 59.9097 63.1028 174.7458 138 L 4.5815 8.1877 122.0919 54.5381 41.7745 177.4294 139 G 3.9373 8.1943 107.7000 44.9084 0.0000 174.4851 140 F 4.3154 8.0468 117.9478 57.5063 39.6842 174.5301 141 R 4.6990 8.7199 122.8038 54.2325 32.4319 175.5707 142 V 3.7050 8.3763 125.8250 63.3579 31.6105 175.6835 143 V 3.7945 9.0617 128.9276 64.1669 31.9852 175.5128 144 G 3.8934 6.9087 104.1327 45.9704 0.0000 171.4412 145 R 5.0880 8.3031 119.5095 54.4131 32.5041 174.4646 146 F 4.5624 9.7522 126.7301 56.7966 40.6077 174.8487 147 S 4.7915 8.8868 119.0320 57.8735 63.0636 173.5531 148 E 3.9793 9.9158 129.1781 57.5828 27.3751 176.1492 149 V 3.9579 8.1109 110.6795 62.3868 32.6060 176.3842 150 G 4.1061 8.2052 108.3921 43.8105 0.0000 171.5196 151 T 4.7812 7.6371 112.4641 60.3572 70.5389 172.7276 152 K 3.9139 8.5507 126.2965 56.6080 35.3600 174.8225 153 F 3.7248 8.9655 120.6547 58.5084 36.8931 175.9251 154 G 3.8270 8.4126 105.9733 46.1079 0.0000 174.1737 155 R 4.4809 7.5825 114.3819 53.3436 32.6514 174.2235 156 W 4.9671 8.3663 119.0816 56.9108 30.0665 175.6457 157 L 4.8636 9.3782 123.2156 53.1051 44.9291 175.4909 158 D 5.4477 8.7089 121.6352 53.0126 43.7238 175.2308 159 L 5.1970 9.2730 123.4932 53.9170 44.4163 175.1282 160 T 4.9632 9.2692 124.3102 62.5652 70.5221 174.5099 161 C 5.6042 9.1391 124.6105 57.3276 31.6242 172.3963 *163 E 4.5877 8.3676 116.5192 56.5514 31.1259 174.8108 164 L 4.4702 8.0861 122.2563 53.1811 45.1542 174.9437 165 K 4.3554 8.4859 128.1560 55.7336 33.2660 176.3791 166 L 4.2820 8.7060 126.5567 54.8048 41.4034 176.3608 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 4 S 8.33 4.40 0.00 3.84 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 5 V 8.32 4.54 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 0.89 0.00 0.00 0.94 0.00 0.00 6 E 9.81 4.75 0.00 2.07 1.75 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 2.21 2.27 0.00 7 L 8.53 5.37 0.00 1.58 1.61 0.96 0.91 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 8 R 8.51 4.66 0.00 1.90 2.03 0.00 2.80 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 9 D 8.67 5.01 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 10 A 8.88 4.72 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 11 T 8.97 4.74 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 12 V 8.16 3.14 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 1.03 0.00 0.00 1.08 0.00 0.00 13 D 7.67 4.40 0.00 2.63 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 14 D 7.85 4.56 0.00 2.66 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 15 L 7.32 3.84 0.00 1.59 1.63 0.85 0.75 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 16 S 7.96 4.30 0.00 3.99 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 17 G 7.92 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 0.00 0.00 0.00 18 I 7.35 3.64 1.66 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 1.07 0.64 -0.40 0.00 0.00 *20 E 8.15 4.23 0.00 2.03 2.16 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 2.40 2.36 0.00 21 I 7.51 3.73 2.26 0.00 0.00 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 1.50 1.01 1.09 0.00 0.00 22 Y 8.32 3.72 0.00 2.84 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 23 N 8.23 4.30 0.00 2.78 2.85 0.00 0.00 7.05 8.08 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 24 D 8.17 4.31 0.00 2.88 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 25 A 7.87 4.12 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 26 V 7.30 3.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.45 0.00 0.00 27 V 7.53 4.01 2.09 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 0.93 0.00 0.00 1.00 0.00 0.00 28 N 8.41 4.96 0.00 2.67 2.76 0.00 0.00 6.82 7.53 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 29 T 7.89 4.80 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 1.26 0.00 0.00 30 T 8.46 4.56 4.41 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 1.41 0.00 0.00 31 A 8.20 4.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.73 4.55 1.76 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.83 0.00 0.00 33 W 8.66 4.70 0.00 3.23 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 34 N 7.36 4.85 0.00 2.70 2.66 0.00 0.00 7.10 7.65 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 35 E 8.72 4.50 0.00 1.88 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 2.00 2.02 0.00 36 V 8.45 4.26 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 0.81 0.00 0.00 0.93 0.00 0.00 37 V 8.30 3.95 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 0.76 0.00 0.00 0.94 0.00 0.00 38 V 8.56 4.35 2.13 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 0.83 0.00 0.00 0.88 0.00 0.00 39 D 7.99 4.85 0.00 2.92 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 40 L 8.29 3.86 0.00 1.75 1.70 0.87 0.73 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 41 E 8.19 3.93 0.00 2.07 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 2.39 2.38 0.00 42 N 8.49 4.31 0.00 2.85 2.97 0.00 0.00 7.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.95 4.03 0.00 1.93 1.88 0.00 2.46 0.00 0.00 2.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 44 K 8.41 4.21 0.00 2.00 1.92 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.67 7.81 45 D 8.22 4.40 0.00 2.93 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 46 W 8.38 4.10 0.00 3.36 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 47 F 9.04 3.72 0.00 3.31 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.26 3.73 1.35 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 0.00 0.00 0.00 49 A 8.05 3.79 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 50 R 7.39 3.79 0.00 1.41 1.84 0.00 3.34 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.85 0.00 51 T 7.29 3.53 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 0.98 0.00 0.00 52 S 7.70 3.95 0.00 3.80 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 53 R 7.12 3.93 0.00 0.67 0.66 0.00 3.21 0.00 0.00 3.08 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 54 G 7.34 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 55 F 7.81 4.79 0.00 2.82 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 56 P 0.00 4.35 0.00 1.86 1.48 0.00 2.34 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.25 0.00 57 V 8.23 4.78 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 1.47 0.00 0.00 0.75 0.00 0.00 58 I 9.11 5.07 1.98 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 1.29 0.66 1.04 0.00 0.00 59 V 8.83 5.07 2.16 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 0.78 0.00 0.00 1.02 0.00 0.00 60 A 9.18 5.01 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 61 I 9.14 4.83 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.02 0.95 0.00 0.00 62 L 8.80 4.73 0.00 1.67 1.48 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.56 4.13 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.48 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.55 4.54 0.00 1.91 1.68 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.46 7.81 66 V 8.27 4.22 2.12 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 0.91 0.00 0.00 0.94 0.00 0.00 67 A 9.05 4.61 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 68 G 7.79 4.47 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 0.00 69 Y 8.66 5.68 0.00 3.29 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 70 A 9.25 5.09 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 71 S 9.14 5.07 0.00 4.22 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 72 Y 7.90 5.27 0.00 2.85 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 73 G 8.58 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 0.00 0.00 0.00 74 D 9.03 4.89 0.00 2.76 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 75 W 8.91 4.71 0.00 3.16 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.44 4.11 0.00 0.67 1.00 0.00 2.41 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 77 A 8.17 4.31 0.99 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 78 F 7.73 4.88 0.00 3.58 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 79 D 9.32 4.42 0.00 2.76 2.77 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 80 G 8.32 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.45 4.73 0.00 3.31 3.17 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 0.00 0.00 0.00 0.00 82 R 7.80 4.03 0.00 1.62 1.94 0.00 3.15 0.00 0.00 3.45 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.04 0.00 83 H 8.16 4.99 0.00 3.15 3.42 0.00 5.55 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 84 T 8.54 5.15 4.74 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 1.34 0.00 0.00 85 R 8.86 4.86 0.00 1.21 1.61 0.00 3.07 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 86 E 9.62 5.43 0.00 2.18 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 2.25 2.26 0.00 87 H 8.90 5.62 0.00 3.32 3.35 0.00 5.53 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.23 4.52 0.00 3.89 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 89 V 7.65 4.66 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 0.73 0.00 0.00 0.90 0.00 0.00 90 Y 8.86 4.69 0.00 2.41 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 91 V 8.33 4.83 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 0.87 0.00 0.00 0.96 0.00 0.00 92 H 9.37 4.26 0.00 3.28 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.82 3.84 0.00 1.91 1.94 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.52 7.81 94 D 8.44 4.88 0.00 2.72 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 95 A 8.21 4.80 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 96 R 8.03 4.14 0.00 1.80 1.86 0.00 3.46 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 97 G 8.77 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 98 H 7.98 4.78 0.00 3.19 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.84 1.96 1.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.80 3.74 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.76 0.87 0.00 0.00 110 D 8.07 4.36 0.00 2.88 2.77 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 0.00 111 H 8.47 4.32 0.00 3.41 3.63 0.00 5.59 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 0.00 112 A 8.83 4.17 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.34 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 0.00 114 G 7.52 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 0.00 115 N 7.95 4.96 0.00 2.80 2.96 0.00 0.00 7.07 8.10 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 0.00 116 D 8.21 4.35 0.00 2.85 2.78 0.00 0.00 0.00 0.00 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0.00 0.00 133 R 8.16 4.09 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 134 L 7.64 3.92 0.00 1.68 1.88 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 135 H 8.35 4.13 0.00 3.28 3.06 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.53 4.29 0.00 2.16 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 2.38 2.61 0.00 137 S 8.09 4.43 0.00 4.06 4.12 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 0.00 138 L 8.19 4.58 0.00 1.97 1.87 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.19 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 0.00 140 F 8.05 4.32 0.00 2.97 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 0.00 141 R 8.72 4.70 0.00 1.73 1.75 0.00 3.25 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 142 V 8.38 3.71 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 0.79 0.00 0.00 0.94 0.00 0.00 143 V 9.06 3.79 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 0.83 0.00 0.00 0.91 0.00 0.00 144 G 6.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.30 5.09 0.00 1.78 1.76 0.00 3.27 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 146 F 9.75 4.56 0.00 3.12 3.02 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 0.00 147 S 8.89 4.79 0.00 3.89 3.76 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 0.00 148 E 9.92 3.98 0.00 1.49 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 149 V 8.11 3.96 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 0.83 0.00 0.00 1.27 0.00 0.00 150 G 8.21 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 0.00 151 T 7.64 4.78 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 1.10 0.00 0.00 152 K 8.55 3.91 0.00 1.25 0.89 0.00 1.42 0.00 0.00 0.80 0.00 0.00 2.29 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.84 7.81 153 F 8.97 3.72 0.00 3.23 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 0.00 154 G 8.41 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 0.00 0.00 0.00 0.00 155 R 7.58 4.48 0.00 1.93 1.92 0.00 2.80 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 156 W 8.37 4.97 0.00 3.22 3.03 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 0.00 157 L 9.38 4.86 0.00 0.60 1.21 0.02 1.12 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 0.00 158 D 8.71 5.45 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 0.00 159 L 9.27 5.20 0.00 1.97 1.75 0.38 0.49 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 0.00 160 T 9.27 4.96 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 161 C 9.14 5.60 0.00 3.03 2.93 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 0.00 0.00 0.00 *163 E 8.37 4.59 0.00 1.93 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 2.22 2.22 0.00 164 L 8.09 4.47 0.00 0.27 0.43 0.58 0.32 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 0.00 165 K 8.49 4.36 0.00 1.66 1.55 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.67 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.20 1.19 7.81 166 L 8.71 4.28 0.00 1.55 1.47 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.