NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2276 8.2644 123.5807 51.3686 20.1346 176.1504 4 T 4.3194 7.3137 110.0637 58.8115 68.9807 172.5670 5 P 4.5015 0.0000 0.0000 64.5079 32.6220 176.1328 6 L 4.7712 6.9107 117.4418 51.6769 43.9625 174.6389 7 P 4.3293 0.0000 0.0000 61.9217 31.8736 174.6658 8 P 4.5311 0.0000 0.0000 63.0429 32.1946 175.4016 9 L 4.8377 8.7982 121.4464 53.3023 44.5743 175.6268 10 R 4.6759 9.3481 121.6138 55.2242 31.9765 175.5441 11 L 5.3670 8.9487 122.8668 52.9289 45.4917 175.2839 12 A 5.1860 8.9173 124.0530 50.4948 21.6254 175.7707 13 I 5.1583 8.6881 120.4397 59.5495 41.8470 174.0420 14 A 5.1745 8.5777 126.8767 51.6774 23.0344 174.8562 15 C 5.6141 9.1571 113.7353 58.6002 33.7616 173.3581 16 D 4.9648 8.3669 120.0038 51.5308 41.2903 176.5783 17 D 4.2881 8.6920 117.5119 56.2770 39.0320 177.2467 18 A 4.2182 7.9903 120.5255 52.9417 19.1393 177.8291 19 G 4.0201 8.0074 104.3641 45.0614 0.0000 175.6737 20 V 3.5863 7.9148 121.0635 65.9205 31.6121 178.1392 21 S 4.2152 8.0202 113.4895 61.8548 62.8039 175.8902 22 Y 4.2057 8.5485 120.6415 60.2812 37.5276 177.9606 23 K 3.9669 8.1813 120.8124 59.9370 32.2133 178.6363 24 E 4.0153 8.2153 117.9410 59.2487 29.3241 179.1926 25 A 3.9915 7.9889 120.6620 55.2029 18.4169 179.7375 26 L 3.9813 8.5181 117.8752 57.6351 41.6900 179.4967 27 K 3.8890 8.5569 119.8143 59.5687 31.9416 178.4731 28 A 4.0018 7.9125 119.4671 55.5366 18.6078 178.6582 29 H 4.2611 8.4314 116.6916 59.6030 29.9601 177.3973 30 L 4.2040 8.4793 120.6371 57.3162 41.2858 179.4602 31 S 4.2948 8.2524 117.1442 61.7264 62.7987 175.9900 32 D 4.6853 7.5032 120.0851 54.7406 40.1894 179.5006 33 N 4.8908 7.5738 119.4272 52.5281 39.6368 173.8163 34 P 4.4542 0.0000 0.0000 64.4428 31.8834 176.6528 35 L 4.3012 8.6879 119.7633 54.9244 41.8078 175.5944 36 V 4.8489 7.6643 120.0988 61.2639 32.6168 175.3118 37 S 4.7184 9.0039 123.3038 59.8706 64.3893 174.4643 38 S 4.7327 7.7201 112.8891 57.1144 66.1880 173.3927 39 I 4.9480 8.2947 121.5726 60.0114 40.0256 174.8029 40 T 4.4601 9.1047 124.6945 61.9026 70.4356 173.3549 41 D 5.0781 8.6588 127.4066 53.1996 41.0944 176.3424 42 V 3.6128 8.8143 128.0414 64.4284 32.3781 176.4987 43 G 3.8599 8.7679 107.4298 44.2508 0.0000 172.9455 44 V 4.1300 8.0645 112.6239 61.7353 31.8518 176.6519 45 T 4.4215 8.2072 109.8948 62.1014 69.9303 174.6194 46 S 4.6611 7.4043 115.9337 57.0732 65.3558 174.7243 47 T 4.0572 8.4771 122.5781 66.3347 68.4749 176.0901 48 T 3.8958 7.6137 110.8651 63.8738 69.0054 174.0676 49 D 4.3737 7.8750 123.7908 54.6886 40.4160 175.7454 50 K 4.4542 8.4553 127.6608 54.5038 31.8461 173.7863 51 T 3.8341 7.8832 116.3955 65.0132 68.6014 174.1819 52 A 4.2012 8.4076 129.0679 51.5872 19.5331 177.4123 53 Y 4.2478 8.6384 119.5026 60.1664 37.4929 177.4941 54 P 4.3648 0.0000 0.0000 65.4884 31.4108 178.6977 *55 H 4.0729 7.6953 117.3720 59.9245 27.9153 179.6104 56 V 3.7756 7.7517 120.6174 65.5829 31.3608 177.8422 57 A 4.0123 8.1761 120.5284 55.2630 18.1990 179.6750 58 I 3.6309 8.0324 118.6622 64.4112 37.2717 178.3913 59 Q 3.9230 8.2689 120.1987 59.2633 28.5524 178.3389 60 A 4.0077 8.1415 121.4719 55.1381 18.4147 179.4713 61 A 3.9641 8.2882 119.5012 55.2872 18.3297 179.6311 62 Q 3.9283 8.5153 118.5433 59.1950 29.0771 178.3592 63 L 3.9833 7.8435 119.7087 57.8840 41.6695 179.6401 64 I 3.9741 7.4480 120.4937 63.8029 36.8635 178.3461 65 K 3.9568 7.9398 119.1853 59.4610 32.1149 177.6924 66 D 4.6705 8.2823 116.5200 54.1494 41.0027 177.2664 67 G 3.9422 7.8571 107.8204 45.7802 0.0000 174.8907 68 K 4.1881 8.0622 120.3194 57.8616 32.5188 177.2579 69 V 4.5990 7.3174 110.0773 59.6439 35.7086 175.5233 70 D 4.6226 8.8078 121.1116 56.5899 41.6630 177.0551 71 R 4.9958 7.6970 114.6276 54.7428 35.4836 173.8950 72 A 5.2440 9.3014 121.1361 50.3006 23.0270 174.7148 73 L 4.7643 9.0596 123.9354 53.4720 44.5159 175.0539 74 M 5.2927 8.7714 125.5740 53.6081 35.6917 174.6620 75 I 5.1432 8.2860 123.5318 58.8316 41.0497 176.5005 *77 G 3.8916 8.7063 111.6204 46.2222 0.0000 174.6160 78 T 4.3616 8.0123 109.0126 60.1987 70.9872 175.6748 79 G 4.0143 8.2024 110.3217 45.7563 0.0000 175.3003 80 L 4.0957 7.8955 120.4415 57.6470 41.7796 179.3499 81 G 2.8412 7.4639 105.0480 47.7057 0.0000 175.9945 82 V 3.7972 7.5132 114.2793 63.9327 31.5750 178.4487 83 A 3.9509 7.6061 119.4816 55.0677 18.0000 179.6420 84 I 3.6397 7.6339 117.3358 64.7112 37.0194 178.6239 85 S 4.2818 8.2191 115.6226 61.6049 62.8370 176.5935 86 A 4.0349 8.2310 123.5811 55.2401 17.9023 179.3444 87 N 4.5463 8.0192 113.7983 55.9490 38.6135 177.2468 88 K 4.1718 7.7705 119.0375 57.2397 32.5505 177.2641 89 V 3.8006 7.3174 120.5305 61.2094 31.9226 173.4989 90 P 4.6350 0.0000 0.0000 64.5378 31.4706 176.7808 91 G 3.9665 9.4820 111.6536 45.1941 0.0000 173.0067 92 I 4.5342 7.4554 120.6388 59.4971 38.8684 175.0299 93 R 4.9320 9.4842 124.0899 54.3061 32.7905 174.7254 94 A 5.0393 9.4634 125.4452 50.2553 22.2124 175.5330 95 V 4.4978 8.3855 112.7163 59.8729 36.4530 174.7095 96 T 4.9908 8.6695 119.0901 61.3916 69.7669 174.1509 97 A 4.5754 8.4962 127.6193 50.3309 21.6891 175.0908 98 H 4.9978 9.0252 118.7674 55.2498 29.9246 173.8196 99 D 4.8982 7.6942 118.8881 51.1140 43.7480 175.8348 100 T 3.9862 8.5014 114.3626 65.1700 67.4148 176.3146 101 F 4.1559 8.3349 122.3116 61.4526 39.5967 177.2010 102 S 4.0843 8.9468 115.2633 61.5080 62.7399 176.9335 103 V 3.6512 7.9020 121.0072 65.8914 31.2338 177.6596 104 E 2.7783 7.9113 118.9591 59.1117 29.2950 179.1286 105 R 3.6688 7.6523 117.6880 58.7085 29.9277 178.5209 106 A 4.1153 8.3258 121.2882 55.4938 18.2548 179.6564 107 I 3.7939 7.4043 116.6219 64.5493 37.2779 178.7006 108 L 4.2181 8.0809 119.1168 57.3294 41.5049 179.1037 109 S 4.6450 8.0655 115.5738 59.4715 63.6951 175.4570 110 N 4.6454 8.0459 115.1918 51.7950 39.5750 173.9992 111 D 3.8317 7.7364 118.6716 54.5062 40.1539 173.4218 112 A 4.2924 7.9775 120.7781 51.6350 18.8285 178.5765 113 Q 4.2701 8.7075 122.2596 57.7292 30.4323 175.9973 114 V 4.9493 7.8449 120.1901 60.7754 34.5845 173.8699 115 L 4.9030 8.7037 129.3562 53.2527 44.6841 174.6234 116 C 5.1343 8.5875 122.9600 57.8795 31.5985 173.0064 117 F 5.3107 8.9873 121.3064 55.7554 42.7398 174.7830 118 G 4.1656 8.8052 108.8949 43.8572 0.0000 173.9825 119 Q 3.2308 8.8975 131.2284 59.1508 29.0336 178.2785 120 R 4.1503 7.9272 113.6441 56.7833 29.8488 179.2176 121 V 4.2047 7.7500 116.0895 64.2084 33.3017 175.4720 122 I 4.4369 7.3949 110.4677 58.7215 40.2046 175.4915 123 G 4.0633 8.0720 107.4076 44.5893 0.0000 174.7693 124 I 2.9303 7.8642 121.1656 63.7349 38.0104 178.2680 125 E 3.8157 7.8759 119.0009 59.0406 29.2424 178.9145 126 L 3.8403 7.7094 119.8069 57.8886 42.2255 178.5141 127 A 3.2088 7.7217 120.6790 55.0556 18.2670 179.7691 128 K 3.9109 8.0895 117.1417 59.4480 32.0496 179.6358 129 R 3.8952 7.9635 118.9058 59.3773 30.0151 178.4940 130 L 4.0805 8.2082 118.9047 57.9119 41.4500 179.3627 131 A 4.2847 8.2502 119.4555 55.1634 18.1084 179.6128 132 G 3.8142 8.3524 104.1591 48.1651 0.0000 175.8033 133 E 3.9516 8.4678 121.5741 58.6334 28.9646 178.9064 134 W 4.7776 8.6611 128.6049 61.1412 30.4543 178.0213 135 L 3.8904 7.6811 116.3318 57.1627 41.1141 178.6348 136 T 4.0149 7.5025 108.0044 61.6780 69.5144 173.9621 137 Y 4.8844 6.6453 118.8031 56.4127 39.9518 175.3382 138 R 4.6449 8.3270 121.6072 54.0865 33.7411 175.0774 139 F 4.2643 8.9235 125.0912 58.1312 40.2773 174.0078 140 D 4.4271 7.5275 126.6749 52.4997 40.7967 176.9252 141 Q 4.0260 8.3064 126.3805 57.9220 28.9309 177.4286 142 K 4.3267 7.9471 116.3600 55.9376 32.3118 176.6993 143 S 4.3474 7.4656 114.4834 57.1444 63.7258 174.2389 144 A 4.1318 8.4585 123.2043 55.4284 18.0368 180.2299 145 S 4.2002 8.1819 111.6340 61.6906 62.7866 176.4165 146 A 4.4856 8.1352 125.5335 56.0360 17.9206 180.3481 147 Q 4.0141 7.9143 118.8320 60.2443 27.6720 181.8954 148 K 4.1925 8.0108 119.9060 59.3652 32.2314 179.2850 149 V 3.6281 7.9558 118.5665 66.2441 31.3365 177.6212 150 Q 3.9825 8.5311 119.1610 59.3796 28.9166 178.3966 151 A 4.2578 7.8597 121.4489 55.0802 18.3461 179.8341 152 I 3.7298 7.4171 117.2871 64.7934 37.2634 178.6860 153 S 4.2197 8.2460 116.0134 61.7366 62.3997 176.4567 154 D 4.3926 8.5062 120.9572 57.6589 40.8387 178.0017 155 Y 4.1895 8.0596 119.5321 60.8527 38.8406 177.9800 156 E 4.3012 8.6907 121.8618 59.7851 29.3300 179.7888 157 K 4.1825 7.8188 122.6536 58.7925 31.7558 182.6603 158 K 3.9498 7.7527 116.4675 57.9465 32.1419 176.8485 159 F 4.9305 7.3743 117.2768 55.4417 41.5724 175.0786 160 V 4.5274 8.1149 116.3214 59.2861 34.9087 174.8611 161 E 4.2407 8.7115 123.6542 55.7656 30.2273 176.9309 162 V 4.0107 8.3433 118.4260 61.5322 31.9453 175.5814 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 3 A 8.26 4.23 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 4 T 7.31 4.32 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 1.27 0.00 0.00 5 P 0.00 4.50 0.00 2.06 2.09 0.00 3.66 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 2.01 2.10 0.00 6 L 6.91 4.77 0.00 1.75 1.51 0.87 0.99 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 7 P 0.00 4.33 0.00 2.01 1.97 0.00 3.65 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 2.01 2.06 0.00 8 P 0.00 4.53 0.00 2.11 2.21 0.00 3.71 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 1.96 1.98 0.00 9 L 8.80 4.84 0.00 1.43 1.46 0.62 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 R 9.35 4.68 0.00 1.69 1.83 0.00 3.05 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 11 L 8.95 5.37 0.00 1.60 1.61 1.08 0.95 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 12 A 8.92 5.19 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 I 8.69 5.16 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.97 0.95 0.00 0.00 14 A 8.58 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 9.16 5.61 0.00 3.12 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.37 4.96 0.00 2.90 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 17 D 8.69 4.29 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.99 4.22 1.31 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 0.00 0.00 19 G 8.01 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 0.00 0.00 0.00 20 V 7.91 3.59 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.97 0.00 0.00 21 S 8.02 4.22 0.00 4.21 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 22 Y 8.55 4.21 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.18 3.97 0.00 2.04 2.03 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.55 7.81 24 E 8.22 4.02 0.00 2.10 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 2.37 2.50 0.00 25 A 7.99 3.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.52 3.98 0.00 1.95 1.83 1.21 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.56 3.89 0.00 1.95 1.98 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 28 A 7.91 4.00 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 29 H 8.43 4.26 0.00 3.33 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.48 4.20 0.00 1.81 1.75 1.06 0.92 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 31 S 8.25 4.29 0.00 4.01 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 32 D 7.50 4.69 0.00 2.83 2.56 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 0.00 0.00 0.00 0.00 33 N 7.57 4.89 0.00 2.69 2.78 0.00 0.00 6.88 7.84 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 34 P 0.00 4.45 0.00 2.20 2.14 0.00 3.79 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 1.97 1.97 0.00 35 L 8.69 4.30 0.00 1.79 1.66 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.66 4.85 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 37 S 9.00 4.72 0.00 3.89 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 38 S 7.72 4.73 0.00 3.88 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 39 I 8.29 4.95 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.95 0.00 0.00 40 T 9.10 4.46 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 1.22 0.00 0.00 41 D 8.66 5.08 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.81 3.61 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 43 G 8.77 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 44 V 8.06 4.13 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 1.01 0.00 0.00 45 T 8.21 4.42 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 1.22 0.00 0.00 46 S 7.40 4.66 0.00 3.83 3.68 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 47 T 8.48 4.06 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 1.21 0.00 0.00 48 T 7.61 3.90 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 49 D 7.87 4.37 0.00 2.67 2.80 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 50 K 8.46 4.45 0.00 1.81 1.66 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.32 1.02 7.81 51 T 7.88 3.83 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 1.19 0.00 0.00 52 A 8.41 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.64 4.25 0.00 3.25 3.44 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 54 P 0.00 4.36 0.00 2.00 2.01 0.00 3.40 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 *55 H 7.70 4.07 0.00 2.91 3.08 0.00 7.21 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.75 3.78 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.94 0.00 0.00 57 A 8.18 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 3.63 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.90 0.00 0.00 59 Q 8.27 3.92 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 60 A 8.14 4.01 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 61 A 8.29 3.96 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 62 Q 8.52 3.93 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 63 L 7.84 3.98 0.00 1.98 1.72 0.93 0.66 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 64 I 7.45 3.97 2.02 0.00 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2.09 2.02 0.00 3.74 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 2.03 2.08 0.00 91 G 9.48 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.46 4.53 2.13 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 1.30 0.94 0.95 0.00 0.00 93 R 9.48 4.93 0.00 1.62 1.76 0.00 3.08 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 94 A 9.46 5.04 1.14 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 0.00 0.00 95 V 8.39 4.50 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 0.71 0.00 0.00 0.90 0.00 0.00 96 T 8.67 4.99 4.16 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 1.13 0.00 0.00 97 A 8.50 4.58 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 98 H 9.03 5.00 0.00 3.13 3.23 0.00 5.68 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.40 3.79 1.95 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 1.76 1.02 1.04 0.00 0.00 108 L 8.08 4.22 0.00 1.50 1.71 0.84 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.07 4.64 0.00 3.95 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 0.00 110 N 8.05 4.65 0.00 2.79 2.79 0.00 0.00 6.95 8.06 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 0.00 111 D 7.74 3.83 0.00 1.58 1.92 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 0.00 112 A 7.98 4.29 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 0.00 113 Q 8.71 4.27 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 114 V 7.84 4.95 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 0.91 0.00 0.00 0.96 0.00 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 0.00 132 G 8.35 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.47 3.95 0.00 2.36 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 2.38 2.58 0.00 134 W 8.66 4.78 0.00 3.58 3.60 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 0.00 135 L 7.68 3.89 0.00 1.78 1.63 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.50 4.01 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 1.07 0.00 0.00 137 Y 6.65 4.88 0.00 3.05 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.33 4.64 0.00 1.75 1.80 0.00 3.33 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 139 F 8.92 4.26 0.00 3.01 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 0.00 140 D 7.53 4.43 0.00 2.59 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 0.00 0.00 0.00 0.00 141 Q 8.31 4.03 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 142 K 7.95 4.33 0.00 1.78 1.78 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.31 7.81 143 S 7.47 4.35 0.00 3.89 3.82 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 0.00 144 A 8.46 4.13 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 0.00 145 S 8.18 4.20 0.00 3.95 4.32 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 0.00 146 A 8.14 4.49 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 0.00 147 Q 7.91 4.01 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 148 K 8.01 4.19 0.00 1.96 1.91 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.68 7.81 149 V 7.96 3.63 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 0.93 0.00 0.00 0.97 0.00 0.00 150 Q 8.53 3.98 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 151 A 7.86 4.26 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 0.00 152 I 7.42 3.73 2.02 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 1.52 1.05 0.95 0.00 0.00 153 S 8.25 4.22 0.00 4.04 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 0.00 154 D 8.51 4.39 0.00 2.86 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 0.00 155 Y 8.06 4.19 0.00 3.18 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 0.00 156 E 8.69 4.30 0.00 2.33 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 2.51 2.74 0.00 157 K 7.82 4.18 0.00 1.87 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 158 K 7.75 3.95 0.00 0.79 0.82 0.00 1.35 0.00 0.00 0.87 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.11 7.81 159 F 7.37 4.93 0.00 2.99 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 0.00 160 V 8.11 4.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.94 0.00 0.00 161 E 8.71 4.24 0.00 1.94 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 0.00 2.28 2.33 0.00 162 V 8.34 4.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.