NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.9407 8.3393 109.7305 44.8558 0.0000 173.5911 10 S 4.4644 7.4210 113.5450 55.8027 66.0639 171.5515 11 I 4.7440 9.0508 123.7650 60.8093 39.0073 176.1275 12 T 4.9620 8.5479 122.8647 62.1241 70.2661 174.3125 13 L 4.5067 9.1777 128.7229 53.4191 42.5149 175.4158 14 R 4.9977 9.2753 120.7371 53.1822 31.6191 176.6472 15 G 4.1126 7.7145 109.7647 44.4620 0.0000 171.3967 16 S 4.8383 8.0730 116.1473 57.0999 65.4787 174.5376 17 A 4.0148 8.0604 121.1432 55.6180 18.1443 179.5995 18 E 3.8973 8.2729 114.9773 59.1065 29.6011 178.9649 19 I 3.8222 7.4986 117.8657 63.3877 38.5402 177.3221 20 V 3.8880 7.8765 118.8066 66.1943 31.1268 177.6217 21 A 4.0223 7.8359 119.8320 55.3573 18.2982 178.9583 22 E 3.4790 8.0269 116.8857 59.4133 29.4245 178.8736 23 F 4.4276 7.9964 117.5799 60.6145 38.9700 176.9497 24 F 4.0453 8.4578 120.3956 61.6899 39.1418 176.9672 25 S 3.8190 8.2297 112.6430 61.7216 62.0781 176.3568 26 F 4.7378 7.8983 120.1762 60.7171 38.5375 177.7626 27 G 3.6550 8.3994 105.6836 47.6764 0.0000 175.4326 28 I 3.7397 7.9117 122.1874 63.5128 37.7601 177.9083 29 N 4.3909 8.1099 117.1292 56.4513 38.4974 177.1178 30 S 4.2852 8.1762 114.4538 61.6452 62.3665 176.3403 31 I 3.4478 8.1486 122.7455 64.3609 36.9707 178.4283 32 L 4.2270 7.8825 119.8289 57.7212 41.3261 179.0080 33 Y 3.6277 8.1520 119.6932 60.6031 38.7250 177.6027 34 Q 3.7408 8.4597 117.5913 58.0623 28.6929 177.3658 35 R 4.3303 8.1527 116.2196 55.1082 30.3607 177.0271 36 G 3.9632 7.9488 105.3588 47.1795 0.0000 175.0907 37 I 3.7316 7.1765 119.5599 64.2722 37.6109 176.0060 38 Y 4.6977 7.9013 115.5586 55.6341 39.5911 174.0190 39 P 4.5454 0.0000 0.0000 62.8694 32.3793 176.7556 40 S 4.4247 8.7703 114.4232 61.6626 62.8806 176.7358 41 E 4.2744 8.1732 115.5543 58.3493 29.7823 177.9611 42 T 4.1066 8.2700 117.1257 66.2210 68.8104 174.0530 43 F 5.2234 8.3506 119.1874 56.7582 41.4588 174.7978 44 T 4.6381 8.5745 113.0040 61.3069 71.1953 172.3000 45 R 4.8526 8.3872 123.8112 55.5437 31.3594 176.5310 46 V 4.6431 8.7312 115.8478 59.5612 36.5425 174.2272 47 Q 5.5283 8.5259 121.0030 54.0512 30.1398 174.9062 48 K 4.3282 8.2553 124.1168 55.8905 35.7093 174.9584 49 Y 3.9216 8.9927 122.5445 60.9501 35.0926 170.5818 50 G 4.1670 7.8069 100.2966 46.0821 0.0000 171.3669 51 L 4.8321 7.7971 118.0791 52.9573 45.2306 175.3517 52 T 4.9876 8.2629 116.6470 62.3160 70.1990 174.5302 53 L 4.7339 8.8610 124.8204 52.8661 46.2068 175.4022 54 L 4.8332 8.3932 122.2978 54.1129 42.8167 176.5125 55 V 4.6354 8.3938 115.7163 59.8968 36.4579 174.7480 56 T 3.5940 8.2003 118.0522 61.3056 68.1628 174.3809 57 T 4.4223 7.7190 112.4031 60.3701 70.0042 173.8188 58 D 4.4455 7.6861 122.9487 54.0322 41.7998 176.2161 59 L 3.8489 8.6131 129.4365 58.5283 41.9884 178.0146 60 E 3.6803 8.3827 117.5610 59.6997 29.2406 178.8558 61 L 3.5314 7.6004 118.8709 58.2551 42.1910 178.9689 62 I 3.7652 7.3725 119.3167 64.4486 37.0886 178.0434 63 K 3.7319 7.7756 118.9799 60.1024 31.8627 178.3943 64 Y 3.7779 7.7068 119.0276 60.7110 38.8278 177.8594 65 L 3.8579 8.8456 121.0985 57.7719 41.5938 179.2757 66 N 4.1486 8.1047 117.1187 56.5588 39.1187 176.2675 67 N 4.1221 8.1030 118.5861 56.8050 38.7786 177.2308 68 V 3.7973 7.7455 120.5901 64.8408 31.4640 178.6105 69 V 3.6776 7.6824 118.8820 65.4706 31.2003 177.9619 70 E 3.7855 8.7994 119.0877 59.3857 29.4643 179.0986 71 Q 3.4583 7.7198 118.7819 58.2326 28.8724 177.9776 72 L 3.9825 7.1692 121.6082 57.7797 42.0613 178.2682 73 K 3.7889 8.2674 118.9058 59.7633 32.1653 177.8084 74 D 4.2853 7.5273 118.0613 56.9765 41.1691 178.1387 75 W 4.6519 7.5964 118.9956 59.8995 29.0291 178.4924 76 L 4.2018 8.1719 119.2889 57.3574 41.3807 178.2534 77 Y 4.4501 8.3283 117.1142 58.5554 37.5162 177.2974 78 K 4.1293 7.1124 117.0489 55.7479 34.0289 176.1604 79 C 3.9181 8.5240 115.5250 58.6782 38.5809 174.0504 80 S 4.1597 7.9314 116.0593 58.8881 63.5985 174.7834 81 V 4.7040 7.5648 120.0120 60.1500 32.7886 175.3403 82 Q 4.4096 9.3756 125.1322 57.7266 29.9279 176.0420 83 K 5.0011 7.8818 116.6876 55.3680 36.4845 174.5049 84 L 5.2895 8.7244 122.4748 53.3979 44.2942 175.6980 85 V 4.9465 8.7527 122.3353 61.3242 35.0128 174.0340 86 V 4.6438 9.2814 128.5295 61.7767 33.6120 174.7795 87 V 4.4772 8.4282 127.6583 60.7532 33.0423 173.0385 88 I 4.0987 8.1850 127.7541 60.8344 37.9646 175.1166 89 S 5.0749 8.8488 121.7056 55.8589 66.9392 173.1210 90 N 4.5511 8.8338 120.5027 54.3124 39.2108 175.7458 91 I 3.8897 8.4877 125.2230 63.2851 38.8172 176.6298 92 E 4.2357 8.3435 118.4754 58.7144 30.0154 177.1052 93 S 4.0949 7.9272 112.1030 61.7225 62.4638 173.9279 94 G 4.1805 8.2261 106.5961 45.5006 0.0000 174.1694 95 E 3.9587 8.0241 117.2315 56.1613 29.9004 176.8638 96 V 4.0460 8.2173 121.6079 63.1154 32.3361 175.0986 97 L 4.8132 8.0458 123.5019 55.4905 44.2702 176.7884 98 E 4.7607 7.4699 112.7270 55.6742 32.0182 175.3889 99 R 4.8389 8.4991 120.1804 54.2379 33.3044 175.2742 100 W 4.4286 9.3148 123.3449 55.0205 32.0234 174.1707 101 Q 4.9358 8.4255 126.5010 54.1846 31.2273 173.8535 102 F 5.4274 9.3932 125.5726 56.0183 41.5026 174.3185 103 D 5.0743 9.3734 124.8442 53.3575 42.5881 175.5522 104 I 4.7531 8.0733 123.2741 59.8437 39.3114 175.6763 105 E 4.4833 8.9692 128.3311 54.5699 29.9608 171.9437 106 C 4.8499 8.4492 123.9494 55.3066 44.4465 171.7240 107 D 4.9981 8.4151 126.8893 52.1804 42.4371 176.3069 108 K 4.2070 8.6902 123.5668 57.5795 33.0066 176.4433 109 T 4.4716 7.7242 110.8428 61.2257 71.4797 172.7836 *120 S 4.4215 8.3422 113.8081 58.8844 63.7955 174.5137 121 Q 4.0895 8.6329 116.4060 58.9556 28.9094 178.1122 122 K 3.8165 8.3116 120.1717 59.9038 31.8663 177.8202 123 A 3.9928 7.6355 120.7873 55.0081 18.3188 179.2956 124 I 3.7286 7.8030 116.6556 64.6789 37.4330 178.1480 125 Q 3.9262 8.0881 118.5884 59.5533 28.6587 179.4979 126 D 4.3798 7.9093 119.1027 57.3456 40.9164 178.5040 127 E 3.7875 7.8875 118.6489 59.4710 29.4416 179.0886 128 I 3.6646 7.6493 119.3996 64.8597 37.2271 178.1483 129 R 3.9208 7.7426 118.0447 59.7484 29.9199 178.9277 130 S 3.8817 8.1419 113.4700 61.8636 62.5766 176.6996 131 V 3.6506 7.6456 121.2224 65.8826 31.3098 177.9204 132 I 3.7683 8.0755 119.5010 64.4667 36.9524 178.3996 133 R 3.9115 8.9224 120.2969 59.7922 30.0040 178.2068 134 Q 4.0468 8.4268 117.9578 58.8777 28.7453 178.6136 135 I 4.1441 8.4490 120.8072 65.2597 37.5045 178.5312 136 T 4.0497 8.3774 116.0913 66.7904 68.1588 176.7828 137 A 4.0691 8.0484 121.0933 55.0926 18.4716 179.7364 138 T 3.9863 8.1474 114.9200 66.8415 68.8615 177.2243 139 V 3.3934 8.1163 120.9786 65.0942 30.8059 178.2902 140 T 3.8193 7.1011 114.7664 66.4705 68.3755 175.0790 141 F 4.9069 8.3543 117.0463 58.0985 39.6289 176.2485 142 L 4.3443 7.2749 120.0919 53.2443 42.1771 175.0582 143 P 4.5249 0.0000 0.0000 62.0372 32.1497 175.8393 144 L 4.1423 8.1312 121.0009 54.8939 42.6298 176.6459 145 L 4.4387 8.2614 125.0259 54.8328 42.4035 177.0861 146 E 4.6569 8.4576 114.7111 56.5447 32.4096 174.6422 147 V 4.4723 7.3576 111.8168 59.1623 35.1280 174.6925 148 S 4.6735 8.4091 117.4473 59.1232 63.7685 173.2465 149 C 5.0798 8.0957 113.9153 58.0315 33.0755 172.8721 150 S 5.3280 8.7363 115.1327 56.7946 65.7288 172.8638 151 F 4.8656 9.2156 120.9861 56.3509 41.1315 174.8510 152 D 4.9938 8.1201 120.4309 52.5716 44.4252 174.4270 153 L 4.9428 9.1757 126.8796 54.3418 44.1587 175.5632 154 L 4.9772 8.8399 125.2315 53.0713 44.9507 175.7192 155 I 4.2791 8.5784 126.6022 60.6478 38.5595 174.9012 156 Y 4.9847 8.9060 126.5864 56.9413 39.3223 175.1835 157 T 5.0775 8.2876 113.4704 59.2062 72.5295 173.0396 158 D 4.8710 8.5630 121.5286 54.2478 41.3913 177.9164 159 K 4.0584 8.7538 123.8110 58.5083 32.6973 176.2192 160 D 4.9267 7.1868 118.4443 51.7040 41.2869 175.7239 161 L 4.3613 7.7082 119.4190 54.0920 45.1286 175.4903 162 V 3.9598 8.6217 120.0154 62.2790 31.4126 176.4650 163 V 3.7733 7.3509 120.8228 61.8408 31.2506 174.5899 164 P 4.6071 0.0000 0.0000 61.9443 32.2948 177.1890 165 E 4.0694 9.0037 119.4450 59.3566 29.7136 179.5362 166 K 4.0666 8.1407 118.4168 59.1414 33.1245 178.9489 167 W 4.1502 8.2927 120.1862 58.6482 29.2504 175.5980 168 E 4.6113 7.9691 115.9314 55.9360 29.7678 173.9237 169 E 3.9857 8.4027 127.1829 56.9914 29.6628 175.6008 170 S 4.1125 8.0384 114.5668 60.5054 63.8656 175.1622 171 G 4.5411 7.3916 110.6980 43.1193 0.0000 170.9021 172 P 4.7723 0.0000 0.0000 62.0448 33.0216 175.3090 173 Q 5.4744 8.4710 119.2665 55.6555 31.8720 172.8902 174 F 5.1197 8.9773 113.6495 55.5422 41.6943 173.3734 175 I 4.9157 8.4634 119.3941 60.1205 40.5364 176.1299 176 T 4.5157 8.4506 121.3188 62.4457 70.4655 173.5225 177 N 4.5016 8.8603 124.5054 54.1580 39.6464 175.5505 178 S 4.1506 7.8028 112.9624 58.4578 63.4111 173.7613 179 E 4.0142 8.4475 124.7469 57.0748 29.9988 176.8621 180 E 4.0601 8.9008 117.8566 56.1042 27.4257 174.8440 181 V 4.2261 7.0183 116.8299 60.5858 34.0337 175.0573 182 R 4.0688 8.7241 126.8848 59.3032 30.8857 177.0964 183 L 4.0958 7.7327 119.3509 55.8542 42.2206 176.7493 184 R 4.7539 8.9942 122.8697 56.9077 33.9901 175.8546 185 S 4.8531 7.7304 112.6489 56.5477 66.6617 172.8320 186 F 5.3667 8.4106 126.5414 56.4585 41.8728 173.8762 187 T 5.4190 9.2212 115.8926 60.6055 72.0810 173.0882 188 T 5.5150 9.3778 121.7963 62.8773 71.8344 173.7042 189 T 5.2649 8.7327 118.8334 62.7300 73.6430 172.7030 190 I 4.6846 8.4296 126.8858 60.3990 39.0142 175.2509 191 H 4.5571 9.0303 124.4790 53.6164 30.7132 173.0723 192 K 4.5672 8.4107 123.5337 56.0495 32.6257 177.1639 193 V 4.1744 8.4461 125.4951 62.1067 34.2177 175.7198 194 N 4.0409 8.7281 127.1713 55.0175 37.7977 173.0529 195 S 4.8555 7.8946 108.7675 58.7082 65.2030 174.2154 196 M 4.7562 8.4153 120.7703 53.4936 35.1452 175.3721 197 V 4.0247 8.0177 120.5588 60.7864 34.0766 174.7349 198 A 4.1016 8.0803 130.1746 51.4210 19.5215 175.8673 199 Y 4.8341 8.0847 118.7287 56.2250 41.1572 175.3446 200 K 4.7012 8.6859 124.0876 55.1088 34.5031 176.8038 201 I 4.6171 7.7010 113.2243 58.9244 37.3817 171.4676 202 P 4.5559 0.0000 0.0000 61.8815 32.6263 176.6231 203 V 3.7583 8.4248 121.9164 63.2640 31.3653 175.4316 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 9 G 8.34 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 10 S 7.42 4.46 0.00 4.08 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 11 I 9.05 4.74 2.10 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 1.21 0.00 0.00 12 T 8.55 4.96 4.26 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 1.31 0.00 0.00 13 L 9.18 4.51 0.00 1.61 1.68 0.86 0.53 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 14 R 9.28 5.00 0.00 1.80 1.91 0.00 3.16 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 15 G 7.71 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 16 S 8.07 4.84 0.00 4.10 4.09 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 17 A 8.06 4.01 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 18 E 8.27 3.90 0.00 1.93 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 2.32 2.32 0.00 19 I 7.50 3.82 1.86 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 1.48 0.66 1.16 0.00 0.00 20 V 7.88 3.89 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 1.11 0.00 0.00 1.14 0.00 0.00 21 A 7.84 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.03 3.48 0.00 1.77 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 0.00 1.52 2.02 0.00 23 F 8.00 4.43 0.00 3.35 2.98 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 24 F 8.46 4.05 0.00 2.99 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.23 3.82 0.00 3.69 3.63 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 0.00 0.00 0.00 0.00 26 F 7.90 4.74 0.00 3.42 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 27 G 8.40 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.91 3.74 1.22 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.37 0.65 0.00 0.00 29 N 8.11 4.39 0.00 3.20 3.07 0.00 0.00 6.48 7.56 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 30 S 8.18 4.29 0.00 4.13 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 31 I 8.15 3.45 1.73 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.42 -0.13 0.00 0.00 32 L 7.88 4.23 0.00 2.13 2.08 0.93 0.64 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 33 Y 8.15 3.63 0.00 2.93 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 34 Q 8.46 3.74 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.71 0.00 0.00 0.00 0.00 0.00 2.53 2.70 0.00 35 R 8.15 4.33 0.00 1.99 2.04 0.00 3.56 0.00 0.00 3.48 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 36 G 7.95 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 37 I 7.18 3.73 2.20 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 1.45 1.37 0.92 0.00 0.00 38 Y 7.90 4.70 0.00 3.58 3.22 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 39 P 0.00 4.55 0.00 2.17 2.26 0.00 3.96 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 40 S 8.77 4.42 0.00 3.95 4.02 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 41 E 8.17 4.27 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 42 T 8.27 4.11 5.17 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 1.35 0.00 0.00 43 F 8.35 5.22 0.00 2.79 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 44 T 8.57 4.64 4.24 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 1.18 0.00 0.00 45 R 8.39 4.85 0.00 1.70 1.79 0.00 3.18 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 46 V 8.73 4.64 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 0.76 0.00 0.00 0.90 0.00 0.00 47 Q 8.53 5.53 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 48 K 8.26 4.33 0.00 1.81 1.76 0.00 1.47 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.70 0.68 7.81 49 Y 8.99 3.92 0.00 3.02 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 50 G 7.81 4.17 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 0.00 0.00 0.00 51 L 7.80 4.83 0.00 1.79 1.54 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.26 4.99 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 53 L 8.86 4.73 0.00 1.19 1.15 -0.61 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.39 4.83 0.00 1.41 1.54 0.78 0.11 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 55 V 8.39 4.64 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 0.77 0.00 0.00 0.86 0.00 0.00 56 T 8.20 3.59 3.27 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 0.86 0.00 0.00 57 T 7.72 4.42 4.18 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 0.00 0.00 0.00 1.18 0.00 0.00 58 D 7.69 4.45 0.00 2.80 2.42 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 59 L 8.61 3.85 0.00 1.75 1.62 0.86 0.93 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 60 E 8.38 3.68 0.00 1.93 1.69 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 2.56 2.45 0.00 61 L 7.60 3.53 0.00 1.47 1.49 0.99 0.27 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 62 I 7.37 3.77 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 0.81 0.00 0.00 63 K 7.78 3.73 0.00 1.90 1.79 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.40 7.81 64 Y 7.71 3.78 0.00 2.60 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 65 L 8.85 3.86 0.00 1.64 1.64 0.87 0.63 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 66 N 8.10 4.15 0.00 3.04 2.78 0.00 0.00 6.67 6.26 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 67 N 8.10 4.12 0.00 2.77 2.63 0.00 0.00 7.10 7.20 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 68 V 7.75 3.80 1.77 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 0.78 0.00 0.00 1.19 0.00 0.00 69 V 7.68 3.68 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 0.97 0.00 0.00 1.02 0.00 0.00 70 E 8.80 3.79 0.00 1.86 1.85 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 2.42 2.36 0.00 71 Q 7.72 3.46 0.00 1.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 72 L 7.17 3.98 0.00 1.92 1.83 1.07 0.20 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 73 K 8.27 3.79 0.00 1.78 1.94 0.00 1.87 0.00 0.00 1.91 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.42 7.81 74 D 7.53 4.29 0.00 2.61 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 0.00 0.00 0.00 0.00 75 W 7.60 4.65 0.00 3.51 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.17 4.20 0.00 2.06 1.77 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.33 4.45 0.00 3.29 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 78 K 7.11 4.13 0.00 1.57 1.18 0.00 1.64 0.00 0.00 1.46 0.00 0.00 3.38 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.02 1.42 7.81 79 C 8.52 3.92 0.00 3.06 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.93 4.16 0.00 3.81 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 81 V 7.56 4.70 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 82 Q 9.38 4.41 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 83 K 7.88 5.00 0.00 1.93 1.81 0.00 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0.00 0.00 0.00 0.00 2.44 2.79 0.00 135 I 8.45 4.14 2.15 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 1.77 1.08 0.86 0.00 0.00 136 T 8.38 4.05 4.49 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 1.23 0.00 0.00 137 A 8.05 4.07 1.33 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 0.00 0.00 138 T 8.15 3.99 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 0.83 0.00 0.00 139 V 8.12 3.39 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 1.09 0.00 0.00 0.99 0.00 0.00 140 T 7.10 3.82 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 0.47 0.00 0.00 141 F 8.35 4.91 0.00 3.00 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 0.00 142 L 7.27 4.34 0.00 1.79 1.65 1.10 0.89 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 0.00 143 P 0.00 4.52 0.00 2.19 2.08 0.00 3.79 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 2.01 1.96 0.00 144 L 8.13 4.14 0.00 1.62 1.62 0.92 0.97 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 0.00 145 L 8.26 4.44 0.00 1.71 1.61 1.02 0.97 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 0.00 146 E 8.46 4.66 0.00 2.02 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 2.18 2.33 0.00 147 V 7.36 4.47 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 0.78 0.00 0.00 0.94 0.00 0.00 148 S 8.41 4.67 0.00 3.74 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 0.00 149 C 8.10 5.08 0.00 3.12 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 0.00 150 S 8.74 5.33 0.00 3.97 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 0.00 151 F 9.22 4.87 0.00 2.29 1.91 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 0.00 152 D 8.12 4.99 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.18 4.94 0.00 2.37 1.96 1.49 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.84 4.98 0.00 1.77 1.18 0.94 0.77 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 0.00 155 I 8.58 4.28 1.68 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 0.83 0.00 0.00 156 Y 8.91 4.98 0.00 3.21 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 0.00 157 T 8.29 5.08 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 0.76 0.00 0.00 158 D 8.56 4.87 0.00 2.77 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 0.00 159 K 8.75 4.06 0.00 1.77 1.84 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.39 7.81 160 D 7.19 4.93 0.00 2.83 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 0.00 161 L 7.71 4.36 0.00 1.55 1.50 0.33 0.86 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 0.00 162 V 8.62 3.96 2.20 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 1.02 0.00 0.00 1.03 0.00 0.00 163 V 7.35 3.77 1.87 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 0.71 0.00 0.00 0.98 0.00 0.00 164 P 0.00 4.61 0.00 2.53 2.19 0.00 4.09 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.30 0.00 165 E 9.00 4.07 0.00 2.15 2.26 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 2.40 2.28 0.00 166 K 8.14 4.07 0.00 1.90 2.09 0.00 0.96 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.57 7.81 167 W 8.29 4.15 0.00 3.71 3.38 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 0.00 168 E 7.97 4.61 0.00 2.06 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 2.41 2.33 0.00 169 E 8.40 3.99 0.00 2.13 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 2.17 2.29 0.00 170 S 8.04 4.11 0.00 4.03 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 0.00 171 G 7.39 4.54 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 0.00 0.00 0.00 172 P 0.00 4.77 0.00 1.96 1.65 0.00 3.67 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.62 0.00 173 Q 8.47 5.47 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 174 F 8.98 5.12 0.00 2.99 2.98 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 0.00 175 I 8.46 4.92 1.89 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 1.33 0.94 0.93 0.00 0.00 176 T 8.45 4.52 4.20 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 1.23 0.00 0.00 177 N 8.86 4.50 0.00 2.66 2.82 0.00 0.00 7.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 7.80 4.15 0.00 4.02 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 0.00 179 E 8.45 4.01 0.00 2.05 1.89 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 2.37 2.39 0.00 180 E 8.90 4.06 0.00 2.19 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 0.00 2.18 2.23 0.00 181 V 7.02 4.23 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.63 0.00 0.00 182 R 8.72 4.07 0.00 1.99 1.96 0.00 3.21 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 183 L 7.73 4.10 0.00 1.49 1.27 0.69 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 184 R 8.99 4.75 0.00 1.68 1.82 0.00 3.26 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 185 S 7.73 4.85 0.00 3.90 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 0.00 186 F 8.41 5.37 0.00 2.66 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 T 9.22 5.42 4.40 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 1.33 0.00 0.00 188 T 9.38 5.52 4.73 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 1.77 0.00 0.00 189 T 8.73 5.26 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 1.36 0.00 0.00 190 I 8.43 4.68 1.85 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.53 0.63 0.00 0.00 191 H 9.03 4.56 0.00 2.15 3.00 0.00 5.81 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 8.41 4.57 0.00 1.60 1.72 0.00 1.87 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.35 7.81 193 V 8.45 4.17 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 0.81 0.00 0.00 1.10 0.00 0.00 194 N 8.73 4.04 0.00 2.91 2.80 0.00 0.00 6.65 7.57 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 0.00 195 S 7.89 4.86 0.00 3.90 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 0.00 196 M 8.42 4.76 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 197 V 8.02 4.02 1.85 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 0.45 0.00 0.00 0.92 0.00 0.00 198 A 8.08 4.10 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 0.00 199 Y 8.08 4.83 0.00 2.91 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 0.00 200 K 8.69 4.70 0.00 1.76 1.74 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 201 I 7.70 4.62 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 0.92 0.00 0.00 202 P 0.00 4.56 0.00 2.07 2.03 0.00 3.70 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 203 V 8.42 3.76 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 0.75 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.