NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.7990 8.3393 109.7307 45.4076 0.0000 173.5097 0 H 4.3715 7.8714 122.7387 53.7328 29.8516 173.5025 2 L 4.2053 8.0348 119.6873 54.0819 43.2026 179.1531 3 S 4.2127 8.6107 117.8500 58.8841 64.6089 175.9517 4 K 3.9403 8.4173 122.1249 59.4437 31.8334 179.6549 5 R 3.5350 7.3730 118.5522 59.5359 29.9985 178.2511 6 D 4.4077 8.0816 118.2479 56.8185 40.7343 178.7326 7 A 3.9354 7.9874 121.7367 55.0476 18.3883 179.5746 8 I 3.6444 7.8308 118.3189 64.6896 37.2042 178.6105 9 L 3.8317 7.9298 119.6167 57.6697 41.2812 179.6299 10 K 3.8228 8.3184 119.5524 59.3525 32.0494 178.8020 11 A 4.1449 8.3685 122.2607 54.3384 18.2496 179.3353 12 A 3.5314 8.4005 119.6370 55.3864 18.6122 179.9209 13 V 2.6584 7.7460 116.9172 65.8715 31.3256 178.2087 14 E 3.9202 7.6962 118.1633 59.3447 29.4077 179.4672 15 V 3.6260 7.8581 118.3844 65.9684 31.6230 177.7265 16 F 4.7579 7.9344 117.7634 61.0515 38.6803 177.8266 17 G 3.9898 8.1617 103.1672 47.9579 0.0000 175.5898 18 K 4.1925 7.9405 119.6421 59.1472 32.3205 178.9867 19 K 4.3732 8.7843 116.7638 55.3409 33.2075 178.2058 20 G 4.1992 8.3321 104.1695 45.2130 0.0000 173.5272 21 Y 4.3187 8.8984 119.8307 60.9842 38.8840 178.5569 22 D 4.2251 8.3150 117.2673 57.5312 41.1153 178.2683 23 R 4.0128 8.0053 115.9585 58.7152 30.4034 177.4521 24 A 4.1868 7.9928 120.3688 52.1264 19.1511 177.1631 25 T 4.6832 8.0011 111.1524 59.8132 72.9294 175.7230 26 T 3.9003 8.3749 113.6624 64.6581 68.9588 176.3788 27 D 4.3819 8.1948 121.6542 57.5897 40.8981 178.4532 28 E 3.9085 8.2936 119.3918 59.3814 29.7507 178.8329 29 I 3.6030 7.7519 119.6310 63.9839 37.0754 178.3041 30 A 4.1062 8.0279 123.6910 55.4773 18.5659 179.7023 31 E 3.9010 8.1558 117.0073 61.6065 29.5089 181.3867 32 K 4.1633 7.9617 118.8582 58.7714 32.3181 178.0745 33 A 4.2463 7.7514 118.9347 51.5690 19.6099 176.7539 34 G 3.7880 7.9612 104.9004 46.5078 0.0000 173.5780 35 V 4.5333 7.6850 109.1268 58.8818 36.4417 176.0888 36 A 4.1715 8.5597 126.7446 52.4138 19.1291 179.3840 37 K 4.0421 9.0958 126.9445 60.3184 31.7639 178.7114 38 G 3.9049 8.1289 105.4453 46.7764 0.0000 175.3100 39 L 4.2865 8.4575 123.9924 57.7957 41.6314 179.6826 40 I 4.0462 7.5323 120.1038 65.3438 35.3826 181.4969 41 F 4.4711 8.5460 122.2148 61.6240 38.8221 176.5250 42 H 3.6458 7.8028 115.6582 59.4331 29.7103 176.3652 43 Y 4.1502 7.4851 116.1984 59.2898 37.9217 176.4043 44 F 4.8904 8.2118 117.8939 56.5908 41.7636 176.1373 45 K 4.4247 9.8925 125.4234 54.6373 30.8911 180.8644 46 N 5.1781 7.5715 114.7980 50.3129 41.3353 174.9876 47 K 4.1529 8.7910 120.9226 59.4822 32.1897 178.2854 48 E 4.2720 8.3974 120.6808 58.8780 29.6783 178.1888 49 E 4.1255 9.1838 119.8479 59.1171 29.6082 178.2061 50 L 3.5929 8.3526 120.5514 58.5024 41.9916 178.2068 51 Y 3.9846 8.4891 119.2609 60.9374 38.3894 177.7178 52 Y 4.2393 8.2183 119.0062 60.9642 39.1008 177.4740 53 Q 4.1338 8.5253 117.6358 58.9767 29.1812 178.3183 54 A 4.0819 8.2953 122.0639 55.3127 18.2114 179.1617 55 Y 3.7399 7.8396 114.9019 58.4713 38.6103 177.3045 *57 S 4.3054 7.9856 114.6906 57.8703 64.4651 176.0263 58 V 3.6291 7.8371 119.6195 66.1809 31.1459 178.1785 59 T 3.8830 8.0859 109.8307 64.4653 68.6301 176.0823 60 E 3.9058 8.1700 121.7697 59.1089 29.7891 178.5004 61 K 3.8945 7.8157 117.9157 59.7713 32.1236 179.1524 62 L 3.8482 7.8398 118.8460 57.7439 41.4376 179.3359 63 Q 4.0504 8.4478 119.7939 59.2077 29.0393 178.5218 64 K 3.9637 8.0048 119.1615 59.4797 32.1199 178.8954 65 E 4.0063 8.0407 118.2773 59.5837 29.3948 179.3023 66 F 3.2691 8.4524 120.4271 61.2480 39.2265 177.0557 67 E 3.3643 8.2761 117.0959 59.1421 29.2164 178.8840 68 N 4.3844 7.7733 115.9698 56.1064 38.8972 176.9185 69 F 4.0535 7.8516 121.9556 60.9683 39.4341 176.9790 70 L 3.6425 7.5560 118.5400 56.0854 42.0003 178.1983 *72 K 4.0410 7.9290 119.3010 55.5844 33.8026 176.0587 73 N 4.6819 7.5831 113.4960 52.5713 38.9375 176.3049 74 R 3.7316 7.7953 120.7748 59.7648 29.9488 177.0876 75 N 4.6888 8.0456 111.0750 54.0125 39.0062 175.5420 76 R 4.2448 7.8425 117.8368 55.4379 31.0174 176.4843 77 D 4.4780 8.6337 118.8834 54.5924 42.4984 177.0429 78 I 3.7214 8.4538 126.2113 64.3599 38.0160 177.8272 79 F 4.3151 8.3194 117.3911 60.5151 39.2243 176.5642 80 D 4.6774 8.6188 117.6132 57.3314 40.9003 178.0811 81 F 4.1674 8.9724 117.1789 59.6486 39.1268 175.8643 *83 E 4.3126 7.9929 118.5502 56.3800 31.3544 177.9572 84 R 4.0353 8.2121 117.6350 59.1124 30.0042 178.9705 85 W 3.7326 8.5211 128.3121 60.1476 30.5745 178.1736 86 I 3.3312 7.7602 119.3506 64.1590 36.6522 177.3932 87 E 3.7751 7.9934 120.1698 59.5420 29.2871 179.1785 88 K 3.8119 7.7253 117.9186 59.4707 32.0549 179.5652 89 K 3.5873 7.3339 118.6709 58.9554 31.7978 179.3957 90 L 3.6628 8.1341 122.2696 58.3460 41.5429 180.0395 91 E 3.8817 8.0322 118.0413 61.1477 29.5634 180.1085 92 Y 4.1470 8.0497 120.9414 60.7272 38.6042 178.5811 93 S 4.1941 8.0990 114.2493 61.7364 63.0798 176.3858 94 A 4.0909 7.7439 122.3511 54.7291 18.1708 179.1633 95 S 4.2922 7.8013 111.0418 59.5630 64.8632 173.9949 96 H 4.8018 8.0717 119.9234 53.4231 29.1249 172.8562 97 P 4.3902 0.0000 0.0000 66.1200 31.4605 178.1596 98 E 3.9997 8.1040 117.9215 59.1680 29.3860 178.8850 99 E 4.0559 8.2052 117.9876 59.2946 29.1798 178.8262 100 A 4.0511 8.0551 120.7909 55.6424 18.2514 179.5222 101 D 4.4314 8.1770 115.8642 57.3104 41.0795 178.6288 102 F 4.5114 8.3243 121.2980 61.4119 39.6213 177.2000 103 L 3.4733 8.0633 118.7506 57.6141 41.1968 178.9448 104 I 3.9831 7.2462 115.5139 62.7276 38.3144 177.0936 105 T 4.1426 7.9894 110.0711 63.6762 68.8211 175.9041 106 L 3.9216 7.7590 125.2288 57.6087 41.7614 178.9199 107 V 3.5905 7.8731 113.7412 65.2417 31.5169 177.7038 108 S 4.4999 7.6918 112.0598 58.2418 62.1911 176.1431 109 V 4.0144 6.7569 112.7587 60.6747 32.7428 176.3959 110 D 4.4863 8.2975 124.3366 54.4291 40.9814 178.0783 111 E 4.0248 8.8172 120.9717 61.4149 29.7948 179.7171 112 G 3.7421 7.8970 105.6692 47.5103 0.0000 175.5408 113 L 3.8602 7.6389 122.2534 57.9175 42.2040 178.8510 114 R 3.7062 7.7765 118.6938 59.0535 29.9403 178.4979 115 K 3.8179 8.0475 119.4811 59.3685 32.2751 178.4339 116 R 3.8834 7.6736 118.6558 59.8117 29.8867 178.3421 117 I 3.8441 7.5387 118.8124 64.5765 36.9174 178.5670 118 L 4.0345 7.5991 118.2956 57.4773 41.5543 179.4882 119 L 4.1282 8.0239 119.1189 58.0251 41.4898 179.2400 120 D 4.5338 8.1510 116.8029 56.4826 41.1049 177.8356 121 L 4.4253 7.8878 118.4819 55.3957 42.0764 178.2303 122 E 3.8990 7.8126 120.1458 59.0671 29.3482 178.4148 123 K 3.9544 8.0144 118.5226 59.3739 32.5397 178.4337 124 S 4.3472 7.9494 113.9557 61.5866 63.5064 176.3528 125 Q 4.0790 8.0498 121.6882 58.3583 28.3829 178.9310 126 R 4.1611 8.2119 118.8683 58.3394 29.8915 178.9345 127 V 3.6694 7.8837 118.8967 66.0407 31.5474 177.6546 128 F 4.6292 8.1975 119.6468 61.3808 39.2704 176.2769 129 F 3.7895 8.0215 119.7771 61.7654 39.1398 177.0398 130 D 4.3762 8.8578 118.2602 56.8624 40.4255 178.7337 131 F 4.1102 7.9340 121.3045 61.2450 39.5287 177.1840 132 V 2.9832 7.5134 117.8434 65.9100 30.9758 177.7830 133 R 3.5938 7.1339 116.8680 59.2196 29.9745 177.8033 134 E 3.9197 7.7320 118.8868 59.3565 29.7154 179.1020 135 K 3.7997 7.6880 118.6844 59.0609 31.8278 179.2377 136 L 3.9344 8.2870 122.2967 58.3275 41.2229 180.2592 137 K 4.0357 7.5707 122.3626 59.1663 31.5165 180.5629 138 D 4.9267 7.6333 116.3224 54.4021 40.7079 175.7056 139 L 4.8037 7.3236 120.8090 53.4349 44.8308 176.6199 140 D 4.7029 8.1569 123.7719 52.9076 39.5446 174.7420 141 L 4.3779 7.8823 121.7183 53.4578 42.7427 177.1001 142 A 3.9740 8.7786 128.3992 53.4019 18.6362 178.8017 *143 E 4.3775 8.9271 116.5128 56.5303 29.2036 174.0128 144 D 4.8333 8.0113 117.5536 53.7951 40.8068 175.8901 145 V 4.2283 8.6481 122.0560 61.3885 32.3699 175.9276 146 T 4.2410 8.2370 118.3281 61.2813 71.0904 175.0452 147 E 3.9019 8.8030 122.4339 59.8236 29.4378 179.4857 148 E 3.9593 8.2021 117.8684 59.7494 29.5526 179.4837 149 I 3.7720 7.8387 119.3288 64.1134 37.0834 178.3936 150 A 4.1023 8.3538 121.9754 55.2130 18.0721 179.4418 151 L 3.7826 8.1380 117.8115 58.0211 42.1925 178.7299 152 K 4.2159 8.0977 118.6632 59.6217 32.5015 178.2464 153 F 5.0975 9.0421 121.3212 61.4282 39.2776 177.2359 154 L 4.2643 8.2103 115.6327 55.3901 41.1071 178.5649 *156 W 5.1925 7.9670 131.6837 57.6551 32.7988 177.1766 157 F 3.8472 8.8108 120.0209 61.1370 38.2949 176.7655 158 F 4.1242 8.7270 120.5537 61.5166 39.3837 177.0886 159 S 4.7023 8.6438 113.2290 61.0672 63.3515 176.3882 160 G 3.7231 8.4442 109.2871 47.1254 0.0000 175.7032 161 F 3.9533 8.0959 123.1287 61.2401 39.4285 176.3169 162 E 3.0593 7.6468 117.8900 59.4728 29.4036 178.4981 163 E 3.7371 7.9455 118.4775 59.2971 29.6686 179.0965 164 V 3.5296 7.9722 118.8367 66.0471 31.5365 177.5359 165 Y 4.2590 7.5807 117.4141 59.7950 37.8739 177.7713 166 L 4.0054 7.3526 120.8880 57.5662 41.4053 179.6975 167 R 3.9415 7.5549 116.6903 59.4691 30.2442 178.7441 168 T 3.8691 7.8994 114.4449 66.0259 68.6541 175.3271 169 Y 4.5890 8.1856 116.4751 56.2449 38.2465 175.0808 170 Q 4.2409 7.3503 121.8726 57.9721 29.2964 176.9067 171 G 4.0030 8.8916 112.2542 46.2334 0.0000 174.1064 172 K 4.7396 8.1575 117.4366 53.2786 33.2298 175.8712 173 P 4.2779 0.0000 0.0000 66.4346 31.4006 177.9745 174 E 4.0213 8.1545 117.4557 58.6051 29.2994 178.9286 175 L 4.0027 7.8887 120.4360 57.8592 42.1015 178.2543 176 L 3.0150 7.5991 118.8332 57.9521 41.9807 178.8738 177 K 3.9935 7.7339 116.9375 59.3850 32.0559 178.9008 178 R 4.0808 7.8946 117.9012 58.7074 31.4894 177.5798 179 D 4.5380 7.9457 120.9816 52.8837 38.3112 176.2520 *181 N 4.6260 7.8769 120.0410 53.4856 41.3740 177.3254 182 T 3.8567 7.8725 114.1596 66.5437 68.4870 176.4090 183 L 4.0244 8.0297 120.9162 57.9760 41.7201 179.7171 184 V 3.5455 7.7421 117.5065 66.1058 31.4954 177.5143 185 E 3.9760 8.1900 118.8658 59.0327 29.2328 178.5868 186 E 3.9518 8.3777 118.3827 59.4622 29.6701 178.9265 187 V 3.6706 7.8430 117.2001 65.9866 31.8343 177.8101 188 K 4.1392 8.0393 117.9687 59.3989 31.8946 180.8301 189 V 3.7223 7.4303 116.4025 63.2763 31.3298 177.5851 *191 L 4.0118 7.9696 119.0037 54.2290 43.7865 179.5581 192 R 3.7328 7.6407 117.2771 58.7823 29.7601 179.2087 193 I 3.6141 8.0039 120.3439 64.1729 36.9023 178.2468 194 L 3.7661 7.5189 117.9156 57.6010 41.5646 178.8087 195 K 3.3873 7.4837 118.2622 59.3015 31.9652 178.3136 196 K 4.1455 7.5100 118.1169 59.2371 32.2145 179.8787 197 G 3.7815 7.9958 103.8643 44.3656 0.0000 173.1691 *199 T 4.2932 7.2631 109.5760 60.7329 69.9801 173.8193 200 K 4.1489 8.9531 120.7443 56.8462 32.0265 177.2675 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 -1 G 8.34 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 0.00 0.00 0.00 0 H 7.87 4.37 0.00 3.35 3.35 0.00 5.53 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.03 4.21 0.00 1.64 1.61 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.61 4.21 0.00 3.96 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 4 K 8.42 3.94 0.00 1.56 1.89 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.49 7.81 5 R 7.37 3.53 0.00 1.36 1.74 0.00 2.90 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.43 0.00 6 D 8.08 4.41 0.00 2.71 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 7 A 7.99 3.94 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 8 I 7.83 3.64 2.23 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 1.66 0.87 0.99 0.00 0.00 9 L 7.93 3.83 0.00 1.82 1.63 0.98 0.57 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 10 K 8.32 3.82 0.00 1.75 1.84 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.40 7.81 11 A 8.37 4.14 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 12 A 8.40 3.53 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 13 V 7.75 2.66 1.94 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 0.79 0.00 0.00 0.38 0.00 0.00 14 E 7.70 3.92 0.00 2.09 1.94 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 2.29 2.30 0.00 15 V 7.86 3.63 1.78 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 0.96 0.00 0.00 0.82 0.00 0.00 16 F 7.93 4.76 0.00 3.56 3.46 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 17 G 8.16 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 18 K 7.94 4.19 0.00 2.02 1.91 0.00 1.61 0.00 0.00 2.03 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.55 7.81 19 K 8.78 4.37 0.00 1.76 1.90 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.63 7.81 20 G 8.33 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 0.00 0.00 0.00 0.00 21 Y 8.90 4.32 0.00 2.70 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 22 D 8.32 4.23 0.00 2.75 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 23 R 8.01 4.01 0.00 2.03 2.02 0.00 3.24 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 24 A 7.99 4.19 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 25 T 8.00 4.68 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 26 T 8.37 3.90 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 27 D 8.19 4.38 0.00 2.69 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 28 E 8.29 3.91 0.00 2.00 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 2.24 2.31 0.00 29 I 7.75 3.60 1.75 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.81 0.00 0.00 30 A 8.03 4.11 1.46 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 0.00 0.00 31 E 8.16 3.90 0.00 1.99 2.00 0.00 0.00 0.00 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 2.22 0.00 32 K 7.96 4.16 0.00 1.91 1.96 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 33 A 7.75 4.25 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 34 G 7.96 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 35 V 7.68 4.53 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 0.77 0.00 0.00 1.06 0.00 0.00 36 A 8.56 4.17 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 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0.00 0.00 0.00 1.52 1.48 0.00 115 K 8.05 3.82 0.00 1.96 1.93 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.45 7.81 116 R 7.67 3.88 0.00 2.01 2.13 0.00 2.98 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 117 I 7.54 3.84 1.85 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 1.68 1.02 0.54 0.00 0.00 118 L 7.60 4.03 0.00 1.72 1.70 0.86 1.02 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 0.00 119 L 8.02 4.13 0.00 1.87 1.71 0.90 0.78 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 0.00 120 D 8.15 4.53 0.00 2.89 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 0.00 121 L 7.89 4.43 0.00 1.91 1.84 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.81 3.90 0.00 2.20 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 2.25 2.30 0.00 123 K 8.01 3.95 0.00 1.81 1.85 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 124 S 7.95 4.35 0.00 4.31 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.05 4.08 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 126 R 8.21 4.16 0.00 2.03 2.05 0.00 2.96 0.00 0.00 2.83 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 127 V 7.88 3.67 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 1.14 0.00 0.00 1.07 0.00 0.00 128 F 8.20 4.63 0.00 2.35 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 0.00 129 F 8.02 3.79 0.00 3.11 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 0.00 130 D 8.86 4.38 0.00 2.78 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 0.00 131 F 7.93 4.11 0.00 3.17 3.32 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 0.00 132 V 7.51 2.98 1.53 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 0.45 0.00 0.00 0.36 0.00 0.00 133 R 7.13 3.59 0.00 1.40 1.83 0.00 3.03 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 134 E 7.73 3.92 0.00 2.24 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 0.00 2.25 2.29 0.00 135 K 7.69 3.80 0.00 1.25 1.50 0.00 1.49 0.00 0.00 1.35 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.57 0.22 7.81 136 L 8.29 3.93 0.00 1.66 1.62 0.78 0.60 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 0.00 137 K 7.57 4.04 0.00 1.83 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.36 7.81 138 D 7.63 4.93 0.00 2.75 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 0.00 139 L 7.32 4.80 0.00 1.69 1.52 1.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.16 4.70 0.00 2.74 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 0.00 141 L 7.88 4.38 0.00 1.64 1.62 0.92 0.92 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 0.00 142 A 8.78 3.97 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 *143 E 8.93 4.38 0.00 2.00 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 2.23 1.87 0.00 144 D 8.01 4.83 0.00 2.76 2.78 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 0.00 0.00 0.00 0.00 145 V 8.65 4.23 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 0.89 0.00 0.00 1.01 0.00 0.00 146 T 8.24 4.24 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 1.22 0.00 0.00 147 E 8.80 3.90 0.00 2.00 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 2.36 2.40 0.00 148 E 8.20 3.96 0.00 2.06 2.03 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 2.42 2.50 0.00 149 I 7.84 3.77 2.02 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 1.45 0.82 0.98 0.00 0.00 150 A 8.35 4.10 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 0.00 151 L 8.14 3.78 0.00 1.55 1.87 0.42 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.10 4.22 0.00 2.11 2.06 0.00 1.85 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.51 7.81 153 F 9.04 5.10 0.00 3.34 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 0.00 154 L 8.21 4.26 0.00 1.93 1.62 0.65 0.65 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 *156 W 7.97 5.19 0.00 3.56 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 0.00 157 F 8.81 3.85 0.00 3.08 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 0.00 158 F 8.73 4.12 0.00 3.73 3.36 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 0.00 159 S 8.64 4.70 0.00 4.35 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 0.00 160 G 8.44 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 0.00 161 F 8.10 3.95 0.00 2.70 2.92 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 0.00 162 E 7.65 3.06 0.00 1.96 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 2.09 2.14 0.00 163 E 7.95 3.74 0.00 2.23 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 2.26 2.28 0.00 164 V 7.97 3.53 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 1.01 0.00 0.00 0.93 0.00 0.00 165 Y 7.58 4.26 0.00 3.16 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 0.00 166 L 7.35 4.01 0.00 1.67 1.64 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.55 3.94 0.00 1.77 1.94 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 168 T 7.90 3.87 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 0.65 0.00 0.00 169 Y 8.19 4.59 0.00 3.20 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 0.00 170 Q 7.35 4.24 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.38 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 171 G 8.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 K 8.16 4.74 0.00 2.08 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.23 7.81 173 P 0.00 4.28 0.00 2.24 2.32 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 174 E 8.15 4.02 0.00 2.01 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 2.40 2.30 0.00 175 L 7.89 4.00 0.00 1.98 1.95 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.60 3.01 0.00 1.26 1.69 0.04 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.73 3.99 0.00 1.92 1.80 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.50 7.81 178 R 7.89 4.08 0.00 1.87 2.15 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 179 D 7.95 4.54 0.00 2.63 2.63 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 *181 N 7.88 4.63 0.00 2.83 2.88 0.00 0.00 7.00 7.05 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 0.00 182 T 7.87 3.86 4.39 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 1.25 0.00 0.00 183 L 8.03 4.02 0.00 1.68 1.77 0.61 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.74 3.55 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 1.05 0.00 0.00 0.86 0.00 0.00 185 E 8.19 3.98 0.00 2.24 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 2.30 2.39 0.00 186 E 8.38 3.95 0.00 2.16 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 0.00 2.38 2.46 0.00 187 V 7.84 3.67 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.21 0.00 0.00 188 K 8.04 4.14 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.59 7.81 189 V 7.43 3.72 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 1.08 0.00 0.00 0.99 0.00 0.00 *191 L 7.97 4.01 0.00 1.75 1.83 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 192 R 7.64 3.73 0.00 1.99 1.87 0.00 3.05 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 193 I 8.00 3.61 1.78 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 1.48 0.77 0.87 0.00 0.00 194 L 7.52 3.77 0.00 1.62 1.62 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.48 3.39 0.00 0.79 1.44 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.05 0.55 7.81 196 K 7.51 4.15 0.00 1.76 1.90 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 197 G 8.00 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *199 T 7.26 4.29 4.34 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 1.34 0.00 0.00 200 K 8.95 4.15 0.00 1.98 1.76 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.