NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 E 4.2259 8.4444 120.2237 56.3471 31.0611 175.8505 -5 N 4.5823 8.1362 119.5071 51.3310 39.4263 173.4204 -4 L 4.0289 8.5959 129.1380 57.0339 42.0907 178.1651 -3 Y 4.1357 7.1293 115.9986 60.9194 38.0294 177.5715 -2 F 4.3010 8.4957 120.1339 61.4533 39.3657 176.6652 -1 Q 4.4108 8.2789 117.6254 58.9878 28.3154 180.1565 0 G 3.6217 7.8351 102.7711 45.3356 0.0000 174.3341 -4 L 4.0289 8.5959 129.1380 57.0339 42.0907 178.1651 -3 Y 4.1357 7.1293 115.9986 60.9194 38.0294 177.5715 -2 D 4.3210 8.5357 120.2339 57.9533 40.8657 177.1652 -1 L 4.4108 8.1189 119.6254 58.3878 41.3154 181.7565 0 T 4.0117 7.6551 107.5711 62.0356 69.4541 174.1341 7 V 3.4745 7.5122 119.5106 65.3948 31.8962 178.0861 8 V 3.4317 6.8981 116.6977 66.0797 31.4309 177.7193 9 Q 3.9510 7.6270 117.3504 58.9649 29.0532 177.4526 10 F 4.4851 7.8865 117.9238 60.5679 39.1945 177.2952 11 S 4.3599 7.9132 115.0788 61.2551 62.5719 177.1639 12 K 4.0736 7.9744 119.2195 57.3790 31.8508 178.1094 *14 L 4.2837 7.8990 119.5893 54.2706 43.8386 179.3556 15 K 4.0136 8.2600 118.1041 59.4544 31.4226 179.1290 16 N 4.3702 8.3771 116.9337 56.0932 38.4787 177.1100 17 L 4.0606 7.9225 121.2726 58.2321 42.0341 178.2188 18 N 4.4380 8.2473 115.5555 56.8932 39.2804 176.3166 19 A 4.1794 8.1120 122.0140 55.2136 18.5028 179.3566 20 I 3.5961 8.0869 118.6112 64.9390 37.0751 178.5516 21 F 4.1348 8.0837 117.6244 60.1585 38.7346 177.4292 22 D 4.4398 8.0586 118.6489 57.3526 40.5431 178.9961 23 K 3.9933 8.0264 118.2246 59.2361 32.0729 178.7891 24 A 3.9872 7.9284 121.1089 55.6070 18.2763 179.5583 25 E 3.9796 8.6767 116.8304 59.4781 29.4185 179.6104 26 A 4.0347 7.9047 120.4196 54.9360 18.4262 179.3749 27 F 4.0307 8.4994 119.0819 61.4852 39.4737 177.1388 28 A 3.9155 8.5444 120.6565 55.0507 17.6341 179.1947 29 E 3.7895 8.2632 117.6962 59.3510 29.5587 178.8345 30 L 3.9216 7.7628 118.9329 57.8515 42.3113 178.2215 31 K 4.0802 7.6416 115.0723 55.1310 32.3534 176.6361 32 K 3.7572 7.3713 116.7474 57.4416 29.9951 175.4093 33 V 4.3182 7.3613 117.7878 61.0414 33.9083 175.9632 34 D 4.6655 8.2491 131.2594 54.1977 41.2929 177.0260 *36 D 4.5707 8.6684 112.2598 54.1449 43.1449 178.0701 37 V 3.6554 7.8181 117.9928 65.9361 31.9968 177.1891 38 L 4.2251 8.1041 119.2665 57.9115 41.9671 179.0381 39 L 4.1394 8.0891 118.0518 57.4862 42.4699 178.4113 40 N 4.7623 8.0718 113.5423 53.3271 39.1838 175.7806 41 S 4.6915 8.1521 115.4994 58.1046 64.0364 173.0512 42 R 4.8918 8.2126 118.7827 55.3220 31.9409 174.7640 43 L 4.2584 8.3632 117.0150 55.5932 42.6530 176.5470 44 A 4.6405 7.4569 119.7375 50.2014 22.1672 176.6802 45 A 4.0694 8.6794 122.6551 54.5419 18.5315 178.5233 46 D 4.8777 7.9846 113.2352 52.9947 39.8207 175.3440 47 Q 4.3612 7.5743 120.0501 54.4094 30.6917 175.4463 48 F 4.5921 8.0628 122.7525 57.7822 39.6380 175.5548 49 N 4.9750 8.6583 121.9139 51.8897 39.9241 175.9110 50 L 4.0110 8.4965 121.4804 58.3936 42.0254 178.7475 51 I 3.6704 7.8290 119.6178 64.7226 37.0489 178.6395 52 R 4.1296 8.2855 119.9332 58.7684 29.9452 179.0331 53 Q 4.1439 8.5125 118.2395 59.0498 28.6843 179.3243 54 V 3.7482 7.8969 119.1338 66.0694 31.1140 178.0185 55 Q 3.9324 8.0610 117.7808 59.1813 28.5495 179.1584 56 I 3.6793 8.1457 120.8738 64.0113 37.1349 178.1661 57 A 3.9138 8.1490 121.8106 55.4274 18.1700 179.4035 58 C 3.9866 8.0932 114.9289 63.2915 28.2612 176.2706 59 D 4.3514 8.2329 120.3817 57.4958 40.3053 178.9555 60 T 3.8572 8.3327 116.6039 66.5720 68.4314 176.4850 61 A 3.9570 7.7373 122.4282 54.9187 18.4338 179.6082 62 K 4.0416 8.2272 118.2117 59.9505 32.3523 179.3595 63 V 3.7948 8.4228 119.1307 65.6132 31.4400 178.1400 64 G 4.0153 8.2925 105.7842 47.9940 0.0000 175.8291 65 V 3.6231 8.0341 120.8453 65.4985 31.5674 177.6999 66 A 4.1955 8.2419 120.5383 55.5070 18.2161 179.8715 67 R 3.8181 8.4530 116.6867 59.4842 29.9351 179.3012 68 L 4.1909 8.0353 117.7020 57.2777 41.6874 178.6898 69 T 4.4424 6.8970 107.6772 59.5217 69.2441 174.5969 70 G 3.9898 7.9218 109.0472 47.5066 0.0000 174.1047 71 Q 4.6951 8.4495 116.4410 54.9512 29.8508 178.0476 72 L 4.0662 8.1742 122.3405 58.0369 42.4565 178.8032 73 E 4.0299 8.3292 119.8676 60.0934 29.4867 178.5796 74 T 4.1525 7.8350 108.6484 61.5766 68.9556 177.2395 75 A 4.0032 7.4583 123.0180 51.9854 18.6521 175.7090 76 P 4.2184 0.0000 0.0000 63.0372 32.0069 176.9413 77 K 4.1130 8.3812 123.9081 54.3117 32.4636 173.4030 78 H 4.8611 8.5642 123.2186 53.6363 30.3954 175.1304 79 D 4.6095 8.5153 123.3416 53.3191 40.5868 172.0157 80 D 4.8466 8.2458 118.8700 54.7231 40.9860 177.7037 81 S 4.4422 7.8273 112.5313 58.6748 64.1844 174.4168 82 E 4.2076 8.0221 121.7074 57.2215 29.5152 176.6167 83 T 4.5788 9.6434 111.6760 60.5080 70.4776 174.2271 84 T 4.6774 7.5725 112.5531 59.3426 72.9461 174.3235 85 L 3.7255 8.3245 122.9700 58.1419 42.1202 178.9993 86 A 3.9495 7.9198 120.2496 55.3785 18.3594 179.3394 87 E 4.0844 8.1163 116.9575 59.5050 29.5045 179.6367 88 L 3.9154 7.8197 119.1332 57.7742 41.6427 179.7680 89 R 3.9142 8.2453 118.4471 59.2171 29.8920 179.1333 90 Q 4.0065 7.9768 118.0720 58.7149 28.6760 178.6546 91 R 3.7869 7.9639 119.7868 59.4370 30.0383 178.5371 92 I 3.6644 7.7777 119.2802 64.4662 37.0629 178.2393 93 A 4.0006 8.0809 121.4568 55.1677 18.1864 179.6700 94 S 4.0620 8.3057 111.7538 61.4418 62.4381 176.5284 95 V 3.7298 7.9146 120.9046 66.1090 31.4183 177.7536 96 L 4.0428 8.2468 118.9871 58.4148 41.2650 179.8025 97 T 3.9451 8.0457 114.4883 66.6309 68.7935 175.6393 98 Y 4.3871 8.2699 121.4848 61.0501 38.7316 178.4824 99 L 4.2616 8.4750 119.4931 57.4859 41.4722 179.2362 100 E 4.2032 8.0503 118.0411 58.9450 29.4501 178.8249 101 G 3.5941 7.8630 103.7712 45.3038 0.0000 173.4933 102 F 4.8162 7.3210 119.9398 56.1636 40.8598 174.5620 103 S 4.8347 9.5060 116.5061 56.0939 66.1537 174.9713 104 E 3.9861 8.2824 118.8090 59.4472 29.4271 179.7026 105 A 4.4983 7.7277 120.4395 55.0712 18.6873 179.1310 106 D 4.4752 8.2552 115.7542 56.8590 41.1859 177.7182 107 F 4.7230 8.5751 117.1164 57.0045 39.3117 177.1849 108 A 4.1353 8.1007 125.9334 55.2403 18.2917 178.9537 109 N 4.8929 8.1265 110.0887 53.0213 39.2552 176.7072 110 A 4.3461 8.4357 124.5969 55.1069 18.8058 180.7106 111 A 4.2602 8.3736 118.5495 54.9449 18.4220 178.2360 112 T 4.4693 7.6428 102.4989 61.3168 70.3451 174.5264 113 I 3.7689 7.6947 124.1030 61.8749 39.2010 174.2835 114 Q 5.0960 8.5799 127.2101 54.4385 30.5148 174.7838 115 I 4.3634 9.3060 126.0058 59.7463 39.1266 174.9609 116 S 5.1462 8.3784 120.4619 56.8525 65.9399 172.2110 117 Q 4.2800 7.6224 119.4454 52.8574 32.1128 175.1441 118 P 4.2472 0.0000 0.0000 66.2804 31.7495 179.7560 119 R 4.1150 8.1896 115.6360 59.3358 29.1315 180.0437 120 W 4.5190 7.6714 115.7948 57.5735 29.2994 176.2149 121 Q 3.5219 8.7232 115.0062 57.2266 25.8062 174.5783 122 G 4.1520 8.7981 106.2542 45.0503 0.0000 174.6745 123 K 4.4412 7.8105 118.5768 56.7163 33.6920 175.2933 124 Y 5.4597 7.7801 117.5615 55.9979 41.5732 173.6331 125 L 5.0370 9.1164 119.4608 52.8911 45.2967 176.7279 126 T 4.7199 9.0771 112.3506 61.5207 69.9530 175.7648 127 G 4.3774 9.1646 111.3956 47.6949 0.0000 175.4018 128 Y 4.4378 8.3834 121.2920 60.7941 38.8851 177.9523 129 E 3.9390 8.4975 119.4438 59.3997 29.5643 179.1239 130 F 4.3053 8.7773 120.6498 61.2184 39.4488 176.9627 131 A 3.8136 8.4672 120.5747 55.3268 18.0259 179.7843 132 I 3.5805 7.3533 116.6372 64.0282 37.3088 177.7702 133 E 4.4642 8.3386 116.9234 56.7804 30.4103 175.1858 134 H 4.5593 7.7269 115.5465 57.2561 32.4404 175.1280 135 A 3.8288 7.7844 120.5719 55.1549 18.3747 179.5070 136 I 3.8378 7.8245 118.2688 64.3735 37.2315 176.8180 137 P 4.4192 0.0000 0.0000 65.9165 31.1459 178.4823 138 N 4.3787 8.2645 115.2551 55.9827 38.4525 177.2515 139 L 3.7136 7.9863 121.9853 58.4099 42.0558 178.7710 140 Y 4.2203 7.7355 116.1841 60.7088 37.6736 177.7805 141 F 3.9328 8.5510 121.9554 62.0130 39.3846 177.1069 142 H 4.6226 8.3736 116.7788 58.1724 28.4707 177.9717 143 I 3.8142 7.8530 121.7633 64.6576 36.8592 178.6194 144 T 3.7763 8.2590 116.7561 66.8032 68.2552 176.8375 145 T 3.6569 8.0382 117.7940 66.4272 68.5022 176.2430 146 A 4.0239 8.1764 122.7363 55.5049 18.2835 178.8157 147 Y 3.9797 8.3204 118.1524 60.9624 38.7063 178.7462 148 G 3.6554 8.4645 106.6059 47.8791 0.0000 175.7085 149 I 3.7075 7.8165 122.1964 64.0140 37.1868 178.6269 150 L 3.7785 7.6544 119.6152 57.6490 41.4561 179.1878 151 R 3.8306 7.8325 120.3908 59.1263 29.6662 177.9382 152 H 4.1660 8.2868 116.5514 58.7538 29.8956 175.9597 153 N 4.6313 7.2483 115.8629 52.4668 38.9189 175.4454 154 G 3.9566 7.4856 107.5712 45.0247 0.0000 174.7713 155 V 3.0899 6.9757 121.1864 62.9287 32.1254 175.9357 156 E 4.4494 8.4040 128.5153 55.0896 27.9144 175.7586 157 V 4.3660 7.1137 113.1213 59.4600 34.2559 175.7256 158 G 4.5261 9.4745 111.7737 42.7471 0.0000 173.2784 159 K 3.9396 8.7029 118.4201 59.5344 31.8321 178.7825 160 K 4.0627 8.1202 118.3624 59.5030 31.7736 178.8685 161 D 4.4084 7.9854 118.2504 57.2957 40.7647 177.9046 162 Y 4.3046 7.9573 119.0145 60.7405 39.0423 177.2173 163 L 4.0141 8.1364 118.9982 56.5849 42.1927 178.2676 164 G 3.8616 8.6853 105.5918 45.1272 0.0000 172.7233 165 A 4.1142 8.0014 121.6693 51.2538 19.6586 175.4658 *167 P 4.1442 0.0000 0.0000 62.9038 32.2998 176.7398 168 Y 4.3843 7.3482 115.0683 58.9945 38.9322 176.5539 169 K 4.6402 8.5562 122.5027 54.4257 34.7184 175.8513 170 A 4.3666 8.3155 125.0677 50.6537 19.6306 175.8862 171 P 4.4313 0.0000 0.0000 63.0853 31.3582 176.4762 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 -6 E 8.44 4.23 0.00 1.95 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 2.20 2.24 0.00 -5 N 8.14 4.58 0.00 2.80 2.70 0.00 0.00 6.96 5.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 L 8.60 4.03 0.00 1.27 1.50 0.80 0.81 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 -3 Y 7.13 4.14 0.00 3.18 3.07 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 -2 F 8.50 4.30 0.00 3.07 3.29 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 -1 Q 8.28 4.41 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 0 G 7.84 3.62 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 0.00 0.00 0.00 -4 L 8.60 4.03 0.00 1.27 1.50 0.80 0.81 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 -3 Y 7.13 4.14 0.00 3.18 3.07 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 -2 D 8.54 4.32 0.00 2.65 2.90 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 -1 L 8.12 4.41 0.00 1.84 1.98 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0 T 7.66 4.01 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 1.21 0.00 0.00 7 V 7.51 3.47 1.13 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 0.72 0.00 0.00 0.78 0.00 0.00 8 V 6.90 3.43 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 0.93 0.00 0.00 0.77 0.00 0.00 9 Q 7.63 3.95 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 10 F 7.89 4.49 0.00 3.01 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 11 S 7.91 4.36 0.00 4.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.97 4.07 0.00 1.80 1.93 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 *14 L 7.90 4.28 0.00 1.92 1.75 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.26 4.01 0.00 1.95 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 N 8.38 4.37 0.00 2.70 3.04 0.00 0.00 6.61 6.30 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 17 L 7.92 4.06 0.00 1.81 1.96 1.07 0.64 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 18 N 8.25 4.44 0.00 2.89 3.06 0.00 0.00 7.26 7.54 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 19 A 8.11 4.18 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 3.60 2.01 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 1.54 1.04 0.53 0.00 0.00 21 F 8.08 4.13 0.00 3.28 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 22 D 8.06 4.44 0.00 2.88 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 K 8.03 3.99 0.00 1.89 1.81 0.00 1.67 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 24 A 7.93 3.99 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 25 E 8.68 3.98 0.00 2.25 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 0.00 2.41 2.60 0.00 26 A 7.90 4.03 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 27 F 8.50 4.03 0.00 3.09 3.24 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 28 A 8.54 3.92 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.26 3.79 0.00 2.07 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 2.28 2.31 0.00 30 L 7.76 3.92 0.00 1.68 1.64 0.88 0.65 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 31 K 7.64 4.08 0.00 0.98 1.42 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.93 0.79 7.81 32 K 7.37 3.76 0.00 1.87 1.85 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.29 7.81 33 V 7.36 4.32 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 0.92 0.00 0.00 34 D 8.25 4.67 0.00 2.86 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 *36 D 8.67 4.57 0.00 2.83 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 37 V 7.82 3.66 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 0.87 0.00 0.00 0.96 0.00 0.00 38 L 8.10 4.23 0.00 1.85 1.77 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.09 4.14 0.00 1.77 1.75 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.07 4.76 0.00 2.81 2.87 0.00 0.00 6.97 7.10 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 41 S 8.15 4.69 0.00 4.19 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 42 R 8.21 4.89 0.00 2.03 1.90 0.00 3.09 0.00 0.00 3.52 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 43 L 8.36 4.26 0.00 1.80 1.68 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.46 4.64 1.19 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 0.00 0.00 45 A 8.68 4.07 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 46 D 7.98 4.88 0.00 2.68 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 47 Q 7.57 4.36 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.08 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 48 F 8.06 4.59 0.00 3.17 2.89 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 49 N 8.66 4.98 0.00 3.13 3.05 0.00 0.00 5.75 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.50 4.01 0.00 1.87 1.97 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.83 3.67 2.04 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 1.50 0.99 0.92 0.00 0.00 52 R 8.29 4.13 0.00 2.01 1.75 0.00 2.67 0.00 0.00 2.70 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 53 Q 8.51 4.14 0.00 2.31 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.78 2.62 0.00 54 V 7.90 3.75 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.21 0.00 0.00 55 Q 8.06 3.93 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 56 I 8.15 3.68 1.73 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 1.33 0.52 0.63 0.00 0.00 57 A 8.15 3.91 1.38 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 0.00 0.00 58 C 8.09 3.99 0.00 3.08 2.91 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 59 D 8.23 4.35 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.87 1.92 1.17 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 69 T 6.90 4.44 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 70 G 7.92 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 0.00 0.00 0.00 71 Q 8.45 4.70 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 72 L 8.17 4.07 0.00 1.70 1.65 0.90 0.87 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 73 E 8.33 4.03 0.00 1.98 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 2.30 2.35 0.00 74 T 7.83 4.15 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 1.21 0.00 0.00 75 A 7.46 4.00 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 76 P 0.00 4.22 0.00 1.97 1.98 0.00 2.93 0.00 0.00 3.68 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.31 4.06 0.00 3.95 4.14 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 95 V 7.91 3.73 2.23 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 1.15 0.00 0.00 0.93 0.00 0.00 96 L 8.25 4.04 0.00 1.91 1.76 0.95 1.00 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 97 T 8.05 3.95 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 1.27 0.00 0.00 98 Y 8.27 4.39 0.00 3.22 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.47 4.26 0.00 1.93 1.73 1.03 1.11 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 0.00 100 E 8.05 4.20 0.00 2.23 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 2.40 2.55 0.00 101 G 7.86 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.44 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.37 4.26 0.65 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 0.00 112 T 7.64 4.47 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 1.16 0.00 0.00 113 I 7.69 3.77 2.01 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 1.23 1.31 1.12 0.00 0.00 114 Q 8.58 5.10 0.00 1.77 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.52 0.00 0.00 0.00 0.00 0.00 1.83 2.25 0.00 115 I 9.31 4.36 1.95 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.64 0.43 0.00 0.00 116 S 8.38 5.15 0.00 3.94 3.66 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 0.00 117 Q 7.62 4.28 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 118 P 0.00 4.25 0.00 2.13 2.05 0.00 3.45 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 119 R 8.19 4.12 0.00 1.82 1.89 0.00 3.27 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 120 W 7.67 4.52 0.00 3.50 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 0.00 121 Q 8.72 3.52 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 122 G 8.80 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.81 4.44 0.00 1.82 1.84 0.00 1.37 0.00 0.00 1.68 0.00 0.00 2.65 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.68 1.29 7.81 124 Y 7.78 5.46 0.00 3.20 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 0.00 125 L 9.12 5.04 0.00 1.84 1.76 1.18 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 126 T 9.08 4.72 4.72 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 1.43 0.00 0.00 127 G 9.16 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 0.00 0.00 0.00 0.00 128 Y 8.38 4.44 0.00 3.29 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 0.00 129 E 8.50 3.94 0.00 2.38 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 2.42 2.50 0.00 130 F 8.78 4.31 0.00 3.24 3.47 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 0.00 131 A 8.47 3.81 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 0.00 132 I 7.35 3.58 1.64 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.31 0.81 0.00 0.00 133 E 8.34 4.46 0.00 2.02 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 2.24 2.36 0.00 134 H 7.73 4.56 0.00 3.11 2.89 0.00 5.67 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 0.00 0.00 135 A 7.78 3.83 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.82 3.84 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.14 1.18 0.00 0.00 137 P 0.00 4.42 0.00 2.14 2.14 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 138 N 8.26 4.38 0.00 2.94 2.86 0.00 0.00 6.62 6.05 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 0.00 139 L 7.99 3.71 0.00 1.16 1.29 0.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.74 4.22 0.00 3.14 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 F 8.55 3.93 0.00 3.18 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 0.00 142 H 8.37 4.62 0.00 3.33 3.61 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.85 3.81 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 1.06 0.00 0.00 144 T 8.26 3.78 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 0.91 0.00 0.00 145 T 8.04 3.66 4.27 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 1.17 0.00 0.00 146 A 8.18 4.02 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 0.00 147 Y 8.32 3.98 0.00 3.05 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 0.00 148 G 8.46 3.66 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 0.00 149 I 7.82 3.71 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.97 0.00 0.00 150 L 7.65 3.78 0.00 1.54 1.37 0.29 0.65 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 0.00 151 R 7.83 3.83 0.00 1.47 1.91 0.00 3.14 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 152 H 8.29 4.17 0.00 3.17 3.50 0.00 5.99 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 7.25 4.63 0.00 2.77 2.72 0.00 0.00 7.20 7.54 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 0.00 154 G 7.49 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 0.00 155 V 6.98 3.09 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 0.74 0.00 0.00 0.20 0.00 0.00 156 E 8.40 4.45 0.00 1.99 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 0.00 2.28 2.34 0.00 157 V 7.11 4.37 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 0.50 0.00 0.00 0.08 0.00 0.00 158 G 9.47 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 0.00 159 K 8.70 3.94 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.51 1.65 7.81 160 K 8.12 4.06 0.00 1.99 1.90 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.10 7.81 161 D 7.99 4.41 0.00 3.02 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 0.00 162 Y 7.96 4.30 0.00 2.73 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 0.00 163 L 8.14 4.01 0.00 1.69 1.70 0.97 0.88 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 0.00 164 G 8.69 3.86 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 0.00 0.00 0.00 165 A 8.00 4.11 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 P 0.00 4.14 0.00 2.17 2.10 0.00 3.54 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 1.80 1.92 0.00 168 Y 7.35 4.38 0.00 3.04 2.87 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 0.00 169 K 8.56 4.64 0.00 1.76 1.73 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 170 A 8.32 4.37 1.25 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 0.00 0.00 171 P 0.00 4.43 0.00 2.05 2.00 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.