NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3851 8.2876 118.8391 56.7213 31.6814 173.4494 6 W 5.3296 7.3518 115.0874 54.2313 31.1167 170.3189 7 E 4.8783 9.7593 118.0482 54.5181 32.8680 176.0843 8 S 5.3373 9.1025 117.3486 58.2066 63.3151 173.2566 9 I 4.5629 9.4669 121.7878 60.0874 39.5065 175.2712 10 T 4.5765 8.0776 117.2787 60.0421 70.0143 171.6074 11 P 4.5033 0.0000 0.0000 61.1295 32.3395 174.1907 12 P 4.3149 0.0000 0.0000 63.1977 32.1969 175.9017 13 V 3.9639 8.4565 122.3187 61.4386 32.3959 175.6745 14 V 3.6811 8.2397 121.7275 61.2596 32.4787 175.5030 15 D 4.2648 8.4963 119.9364 55.7585 38.9044 173.1311 16 A 4.9410 7.5431 119.8695 49.4046 22.0721 175.1127 17 P 4.4755 0.0000 0.0000 62.3432 32.3023 176.6501 18 A 4.2560 8.6969 121.8032 54.8053 19.4110 177.9657 19 V 4.8918 7.8041 113.5851 61.2834 34.7874 175.0148 20 V 4.5238 9.1593 127.8872 60.9650 34.4600 173.5779 21 E 5.2346 8.8376 128.5599 54.4497 32.3597 174.4843 22 F 5.1847 9.5067 127.1324 57.0776 40.6731 175.0155 23 F 5.2785 9.3812 117.8825 55.5304 42.2643 173.0660 24 S 4.0767 8.2783 112.0735 56.2805 65.5901 174.4762 25 F 4.2473 8.7188 123.0648 59.2566 38.8640 175.5714 26 Y 4.4866 7.9201 117.4796 57.8864 38.2747 175.3591 27 C 4.6553 7.9382 121.4316 57.0753 32.7522 171.9282 28 P 4.3752 0.0000 0.0000 65.6115 31.1358 176.9895 29 P 4.2558 0.0000 0.0000 65.2823 31.1805 178.6204 30 C 4.0202 7.9946 115.5879 62.8623 28.1961 174.8747 31 Y 2.7195 8.1543 120.9436 60.4334 37.7018 178.3168 32 A 3.6401 8.0514 121.3600 55.0960 18.4916 179.5690 33 F 3.9642 8.3637 116.3589 60.6535 38.7261 177.7993 34 S 4.2858 7.7558 112.8121 59.7232 62.2446 175.0149 35 Q 4.3604 8.0491 119.6191 56.8302 29.9738 177.1851 36 T 4.2273 6.6436 112.2141 63.6659 68.8546 175.2706 *38 G 3.7586 7.8321 109.8476 45.2130 0.0000 175.7001 39 V 3.2211 7.6108 120.5520 65.8283 30.9980 177.4785 40 D 4.3174 7.8272 118.5959 57.4653 40.6233 178.7439 41 Q 3.9901 7.9334 119.3682 58.9768 28.9112 177.8673 42 A 4.0063 7.7845 121.2295 54.8529 18.6500 179.5142 43 I 3.8027 7.7546 118.4377 64.7794 37.3914 178.7234 44 R 3.9518 8.0760 118.8539 59.7195 29.6078 178.6103 45 H 4.1758 8.0114 117.1096 58.4902 29.8359 176.6903 46 V 4.2258 7.3120 112.0065 60.0339 31.9956 175.8212 47 L 4.2054 7.1239 119.5578 54.0329 42.2416 175.3331 48 P 4.6376 0.0000 0.0000 61.2720 32.6183 175.2215 49 Q 3.8774 8.3721 118.1256 57.5302 28.9444 178.8228 50 G 4.0114 8.8746 109.9817 45.6181 0.0000 173.6769 51 S 4.7632 7.8736 114.4509 57.3405 65.4381 174.1803 52 R 4.2247 7.7858 120.5350 55.2949 30.1598 174.4894 *54 V 4.0130 8.1776 108.7066 61.0128 33.4250 174.3981 55 K 4.8059 8.4981 121.9027 54.7989 34.7358 174.9990 56 Y 5.1687 8.5368 122.2465 56.5174 40.4931 174.8048 57 H 4.0383 9.8166 124.5129 55.5307 31.0656 174.5585 58 V 4.4284 7.2037 116.7160 59.8435 33.5707 176.3768 59 S 4.3646 8.3998 120.1167 59.6659 63.4275 176.3003 60 L 3.9002 7.4415 119.8441 57.5765 40.6806 177.0631 61 L 3.9699 7.6114 121.1388 54.9439 42.4986 176.3037 62 G 2.8017 8.1984 113.5233 43.7700 0.0000 172.7020 63 P 4.1865 0.0000 0.0000 65.2443 31.5162 177.7445 64 L 5.1118 7.8493 116.1016 54.0853 42.0684 178.6030 65 G 4.1100 7.7904 109.4937 47.8259 0.0000 176.0906 66 H 4.2175 8.0921 118.1334 58.5340 28.8621 177.4164 67 E 4.0286 8.2894 119.9206 59.6650 29.3289 179.4198 68 L 3.8329 8.2652 119.0858 57.8756 41.5548 179.6567 69 T 3.9547 7.8763 115.6737 66.5594 68.2963 176.7483 70 R 3.8736 8.2011 120.4334 59.2761 30.1371 178.3097 71 A 3.9138 8.2462 120.8121 55.0566 18.1935 179.3932 72 W 4.4598 8.7362 125.7223 60.6378 30.8321 177.6277 73 A 4.1475 8.2381 120.2574 55.0426 17.8908 178.9654 74 L 4.0068 7.9687 117.7622 58.0796 42.3603 180.0583 75 A 4.1794 8.0470 118.3147 52.5937 18.0464 178.4375 *77 V 3.9277 7.5263 117.5550 64.3483 32.9017 175.8466 *79 K 4.1537 7.7902 115.0630 56.5908 33.3338 175.7159 80 E 4.7261 8.0181 114.5873 56.0954 30.6741 179.4149 81 T 3.5734 7.8814 112.0991 64.7704 68.9705 174.8530 82 D 4.4417 8.0739 121.1933 57.5131 40.9485 179.0613 83 V 3.6824 7.7177 112.1583 64.5485 31.5292 178.6859 84 I 3.7017 7.8142 119.5168 64.1263 36.9354 178.1019 85 E 4.6087 8.9542 120.5422 59.5149 29.5931 178.8761 86 K 4.4589 8.5158 120.3967 58.8214 32.1707 178.6538 87 A 3.8694 8.2057 121.1746 55.3922 18.3553 179.7617 88 F 3.7630 8.2392 116.4684 60.2696 38.5159 178.1728 89 F 4.5641 8.0655 117.0524 60.8136 38.9980 177.5705 90 T 4.0686 8.3407 115.2581 66.6243 68.2242 176.4984 91 A 4.0204 8.2501 123.0652 54.8930 18.3541 179.0836 92 G 3.6112 7.9416 101.7973 45.6150 0.0000 175.5681 *94 V 3.9193 7.4834 119.8233 62.5374 32.9762 175.8203 95 E 4.4273 8.1716 115.1452 55.1989 30.1549 175.9804 96 K 3.9923 8.2639 117.8211 57.5312 30.4073 175.4589 97 R 4.5786 8.1009 111.8501 56.1959 29.5664 176.9173 98 L 4.5886 7.4020 118.2252 53.9297 41.9863 175.4942 99 H 4.8725 8.7446 118.5041 55.7593 31.4241 174.2010 100 S 4.9077 8.7259 112.6755 55.1573 66.0338 173.1278 101 P 4.2872 0.0000 0.0000 65.8057 30.7962 178.5041 102 D 4.3568 8.0930 116.4006 57.2810 41.1050 177.8233 103 D 4.3218 7.9148 119.3657 57.1095 40.7452 178.6893 104 V 3.8879 7.5388 118.9523 66.1845 31.3839 177.8330 105 R 3.0926 7.5666 116.6877 59.2902 29.8722 178.1417 106 R 3.9018 7.8892 117.3248 59.3857 30.4930 178.3161 107 V 3.5405 8.0187 118.4693 65.6750 31.4134 177.7959 108 F 3.6257 7.9548 116.4070 59.8088 38.9263 176.4701 *110 S 4.3132 7.9947 113.8775 58.1478 64.6443 174.9621 111 A 4.1089 7.7673 122.3756 53.9433 18.4977 178.1091 112 T 4.2059 7.6378 103.7227 60.7755 70.0843 175.9391 113 G 3.9406 8.2985 109.3735 45.3002 0.0000 173.7889 114 I 3.9219 7.2009 113.0912 60.5288 38.2775 176.5818 115 S 4.5295 8.3371 117.2450 57.6456 65.3655 175.3094 116 R 4.0355 8.4557 121.2612 59.5864 29.8541 178.5551 117 G 3.6054 8.0828 105.1125 47.5229 0.0000 175.2593 118 E 3.9480 8.1250 121.5006 59.2507 29.7523 178.1374 119 Y 3.8778 8.4417 119.9813 60.9651 38.6668 177.9298 120 D 4.4942 8.3506 118.6052 57.3160 41.1601 178.8415 121 R 4.0380 8.1334 118.5558 59.4749 30.0690 179.3537 122 S 4.1294 8.1175 115.0643 61.4843 62.5837 176.4968 123 I 3.3439 7.7454 120.8935 62.5881 37.4784 176.3663 124 K 4.5241 7.0967 116.4636 56.1625 32.9888 176.9476 125 S 4.3533 8.0042 115.1072 58.0424 65.0320 172.4326 126 P 4.1733 0.0000 0.0000 66.0541 30.8816 178.7263 127 A 3.9743 7.8704 117.4247 55.1925 18.4214 179.3824 128 V 3.6453 7.3427 115.3538 66.1002 31.9132 177.4713 129 N 4.5001 8.6899 116.5862 56.4733 38.2720 177.7535 130 D 4.3211 8.2303 117.3812 54.9471 40.8640 178.6013 *132 V 3.9731 7.7583 120.3141 63.0059 33.3856 177.2821 133 A 4.0111 8.0529 121.3218 55.0065 18.1261 179.0755 134 L 3.8447 8.1784 119.0689 58.6111 42.2120 179.3041 135 Q 3.8240 8.0022 117.1080 59.1337 28.2819 178.6489 136 E 4.0494 8.3238 119.5366 59.2564 29.4543 179.4541 137 R 3.8306 8.2267 119.0915 59.3711 30.1582 178.5141 138 L 4.2777 8.6156 118.9720 57.1721 41.5392 178.9951 139 F 3.6468 8.3493 121.0826 61.2038 39.2108 177.4059 140 K 3.9257 7.8053 117.4685 59.6517 31.7722 179.3510 141 E 3.9488 8.0728 117.2450 59.4525 29.4491 177.7781 142 Y 3.6629 8.3005 114.4908 57.4869 38.5838 175.2077 143 G 3.7684 7.8411 108.7101 46.3202 0.0000 174.6027 144 V 3.5620 6.9707 116.5317 62.0725 32.4426 175.2351 145 R 4.3622 8.5033 124.9872 57.3556 31.8498 175.7414 146 G 4.2476 7.6226 103.4125 44.6613 0.0000 171.1198 147 T 4.9016 8.0927 108.7844 58.9105 71.2238 172.4446 148 P 4.7832 0.0000 0.0000 63.0166 32.9841 175.9457 149 S 4.4501 8.9903 115.2497 57.1483 65.3903 172.5577 150 V 4.7964 8.4339 128.1862 61.7276 32.6182 174.0816 151 Y 5.4882 9.4578 125.7213 56.4198 41.6576 174.7638 152 V 4.7954 8.9137 121.8164 61.8681 34.4384 175.8568 153 R 3.8451 9.7868 127.3272 57.1618 28.4556 177.1602 154 G 3.9539 8.2825 101.8572 45.7123 0.0000 175.4124 155 R 4.0692 8.0686 118.3630 57.3896 32.1512 175.6293 156 Y 5.4351 7.4223 115.8898 56.5746 40.8310 173.9067 157 H 5.3143 9.6208 123.9351 54.7527 32.0863 173.7617 158 I 4.3810 8.3371 126.8167 60.9401 38.3540 176.1108 159 N 4.6968 8.8609 124.6520 51.5402 37.4257 175.2300 160 N 4.7596 9.0232 121.7976 56.6216 38.8584 176.8415 161 A 4.4214 8.1304 117.0415 53.0268 18.7896 177.3617 162 A 4.2117 8.4037 118.6600 52.4775 18.8671 178.3817 163 F 4.5576 7.7607 115.7190 55.2251 38.2715 174.2898 164 G 3.7236 8.2547 112.9596 44.9766 0.0000 170.7429 165 A 4.4805 8.2087 126.3170 50.9869 22.1132 175.8024 166 F 5.0206 8.3822 119.1001 58.1492 39.9599 176.6557 167 S 4.7894 7.5982 115.3614 55.4580 67.3097 174.7306 168 V 3.5772 8.3923 122.8085 66.2171 31.2470 177.8424 169 E 3.9038 8.2208 118.4348 59.6031 29.4275 178.5461 170 N 4.3526 8.1121 115.9409 56.1615 38.6359 176.8950 171 F 4.0315 8.5014 122.3365 61.4272 39.4347 176.8041 172 R 3.6687 8.6252 118.3111 59.6838 29.8397 178.4102 173 S 4.0331 8.2793 114.7896 61.9611 62.8597 177.1377 174 R 3.9951 8.3175 120.8417 59.1465 29.6451 178.7430 175 Y 2.7321 7.5988 119.2214 60.2759 38.7209 177.6252 176 A 3.9953 7.9248 121.5355 54.8986 18.4142 179.2797 177 A 3.8959 8.0192 119.3808 55.5675 18.3849 180.1305 178 V 3.5854 7.6344 116.2847 65.9923 31.5149 178.4904 179 V 3.5175 7.5026 117.9262 65.8755 31.1795 178.0098 180 R 3.8610 8.4326 117.8791 59.0530 30.1241 178.2919 181 K 4.0522 7.8921 119.5412 59.5758 32.1289 178.9883 182 L 4.0814 7.8082 117.5201 56.9590 41.5393 178.5604 183 L 4.2783 7.8872 116.9235 54.0220 42.2818 176.8973 184 A 3.8853 7.8523 123.0637 53.7913 18.8992 177.9057 185 G 4.3818 8.7609 109.2702 46.1285 0.0000 173.0520 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 5 E 8.29 4.39 0.00 1.56 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 2.01 2.06 0.00 6 W 7.35 5.33 0.00 3.62 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 7 E 9.76 4.88 0.00 2.12 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 0.00 2.47 2.45 0.00 8 S 9.10 5.34 0.00 4.37 4.03 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 9 I 9.47 4.56 1.90 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 1.22 0.00 0.00 10 T 8.08 4.58 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 11 P 0.00 4.50 0.00 2.01 1.91 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 12 P 0.00 4.31 0.00 1.84 1.90 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.20 0.00 13 V 8.46 3.96 1.47 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 0.79 0.00 0.00 0.09 0.00 0.00 14 V 8.24 3.68 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 0.66 0.00 0.00 0.90 0.00 0.00 15 D 8.50 4.26 0.00 2.79 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 16 A 7.54 4.94 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 17 P 0.00 4.48 0.00 2.11 2.04 0.00 3.90 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 18 A 8.70 4.26 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 19 V 7.80 4.89 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 0.84 0.00 0.00 0.98 0.00 0.00 20 V 9.16 4.52 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 0.56 0.00 0.00 1.04 0.00 0.00 21 E 8.84 5.23 0.00 2.08 1.71 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 2.28 2.36 0.00 22 F 9.51 5.18 0.00 3.24 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 23 F 9.38 5.28 0.00 2.94 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 24 S 8.28 4.08 0.00 3.64 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 25 F 8.72 4.25 0.00 2.82 2.66 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 26 Y 7.92 4.49 0.00 2.99 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 27 C 7.94 4.66 0.00 3.07 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 28 P 0.00 4.38 0.00 2.24 2.16 0.00 3.72 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 29 P 0.00 4.26 0.00 1.95 1.98 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 30 C 7.99 4.02 0.00 3.52 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 31 Y 8.15 2.72 0.00 2.85 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 32 A 8.05 3.64 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 33 F 8.36 3.96 0.00 3.07 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 34 S 7.76 4.29 0.00 3.98 3.67 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 35 Q 8.05 4.36 0.00 1.13 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 1.86 2.60 0.00 36 T 6.64 4.23 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 1.10 0.00 0.00 *38 G 7.83 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 0.00 0.00 0.00 39 V 7.61 3.22 1.45 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 -0.23 0.00 0.00 0.42 0.00 0.00 40 D 7.83 4.32 0.00 2.68 2.66 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 41 Q 7.93 3.99 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 42 A 7.78 4.01 1.26 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 0.00 0.00 43 I 7.75 3.80 2.02 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 1.58 0.90 0.94 0.00 0.00 44 R 8.08 3.95 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 45 H 8.01 4.18 0.00 3.32 3.40 0.00 5.74 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 46 V 7.31 4.23 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 0.83 0.00 0.00 1.03 0.00 0.00 47 L 7.12 4.21 0.00 1.76 1.60 0.92 0.84 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 48 P 0.00 4.64 0.00 2.17 1.95 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 49 Q 8.37 3.88 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 50 G 8.87 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.87 4.76 0.00 3.99 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 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0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 133 A 8.05 4.01 1.39 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 0.00 0.00 134 L 8.18 3.84 0.00 1.84 1.67 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.00 3.82 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 136 E 8.32 4.05 0.00 2.02 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 2.59 2.47 0.00 137 R 8.23 3.83 0.00 1.97 2.12 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 138 L 8.62 4.28 0.00 1.72 2.04 0.68 1.11 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 0.00 139 F 8.35 3.65 0.00 3.40 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 0.00 140 K 7.81 3.93 0.00 1.93 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.69 7.81 141 E 8.07 3.95 0.00 1.98 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 2.31 2.49 0.00 142 Y 8.30 3.66 0.00 2.51 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.84 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 0.00 144 V 6.97 3.56 0.67 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 0.71 0.00 0.00 -0.31 0.00 0.00 145 R 8.50 4.36 0.00 1.80 1.93 0.00 3.27 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 146 G 7.62 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 0.00 0.00 0.00 0.00 147 T 8.09 4.90 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 148 P 0.00 4.78 0.00 1.86 2.05 0.00 3.23 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.42 0.00 149 S 8.99 4.45 0.00 4.25 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 0.00 150 V 8.43 4.80 2.30 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 1.18 0.00 0.00 1.21 0.00 0.00 151 Y 9.46 5.49 0.00 3.24 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 0.00 152 V 8.91 4.80 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 1.17 0.00 0.00 1.02 0.00 0.00 153 R 9.79 3.85 0.00 1.75 1.89 0.00 3.48 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 154 G 8.28 3.95 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 0.00 0.00 0.00 155 R 8.07 4.07 0.00 0.68 1.01 0.00 2.75 0.00 0.00 3.01 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.50 0.00 156 Y 7.42 5.44 0.00 2.86 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 0.00 0.00 0.00 0.00 157 H 9.62 5.31 0.00 3.54 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.34 4.38 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.67 0.00 0.00 159 N 8.86 4.70 0.00 2.76 2.80 0.00 0.00 6.80 7.03 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 0.00 160 N 9.02 4.76 0.00 2.96 3.29 0.00 0.00 6.93 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 0.00 161 A 8.13 4.42 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 7.76 4.56 0.00 3.20 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 0.00 164 G 8.25 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.21 4.48 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 0.00 166 F 8.38 5.02 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.60 4.79 0.00 4.03 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 0.00 168 V 8.39 3.58 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 0.91 0.00 0.00 0.89 0.00 0.00 169 E 8.22 3.90 0.00 2.08 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 2.39 2.41 0.00 170 N 8.11 4.35 0.00 2.87 2.87 0.00 0.00 6.70 7.43 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 0.00 171 F 8.50 4.03 0.00 3.08 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.63 3.67 0.00 1.88 2.14 0.00 3.20 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 173 S 8.28 4.03 0.00 4.01 3.88 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 0.00 174 R 8.32 4.00 0.00 1.97 2.25 0.00 3.18 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 175 Y 7.60 2.73 0.00 2.11 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 A 7.92 4.00 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 0.00 177 A 8.02 3.90 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 0.00 178 V 7.63 3.59 2.28 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 1.16 0.00 0.00 1.16 0.00 0.00 179 V 7.50 3.52 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 1.03 0.00 0.00 0.94 0.00 0.00 180 R 8.43 3.86 0.00 1.87 2.09 0.00 3.32 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 181 K 7.89 4.05 0.00 2.02 1.90 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.46 7.81 182 L 7.81 4.08 0.00 1.54 1.69 0.34 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.89 4.28 0.00 1.76 1.72 0.98 0.76 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 0.00 184 A 7.85 3.89 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 0.00 185 G 8.76 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 * Residues marked with a * may have inaccurate shift predictions.