NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4533 8.2348 114.8082 57.7373 64.5893 172.4608 3 N 4.8555 7.9673 117.3309 51.8458 41.8852 171.8226 4 T 4.5322 8.9142 117.7064 62.8323 71.2065 174.8173 5 L 4.8020 7.9283 117.2835 54.1110 44.7230 176.1037 6 F 4.6833 7.5962 118.0037 57.6823 42.5214 171.9412 7 D 5.0689 7.6893 124.6032 52.4760 44.2405 173.5006 8 D 4.2715 7.6140 122.5888 54.2537 46.1163 174.4884 9 I 5.0235 8.0406 121.5231 59.5257 41.0394 175.0581 10 F 6.0471 9.8624 123.5676 54.8420 43.8888 173.4093 11 Q 5.7789 8.4776 120.2876 53.2276 32.1367 174.3259 12 V 3.7877 8.6028 126.4543 63.1402 31.8398 176.3905 13 S 4.2329 9.2854 125.2231 61.3283 63.6181 174.5278 14 E 4.7273 7.8618 117.8468 54.9057 32.7528 174.0761 15 V 4.4746 8.4924 125.9115 61.1925 33.9044 174.1327 16 D 4.8496 8.8919 126.8669 52.0521 44.0890 172.6097 17 P 5.0781 0.0000 0.0000 60.9939 30.8533 174.9540 18 G 3.6790 8.0586 119.1677 45.3427 0.0000 171.0606 19 R 3.9226 7.9009 120.1320 58.3423 27.9886 177.0586 20 Y 5.1672 7.3912 113.0904 56.0897 38.1502 176.3338 21 N 4.1630 7.9790 119.4272 54.8325 39.0446 175.9503 22 K 4.7013 7.9706 114.5779 55.6111 34.4192 175.8053 23 V 4.8256 8.3068 119.5907 62.1501 34.8869 172.9261 24 C 5.2165 9.0569 124.3709 58.0059 32.8324 172.6957 25 R 4.7552 8.6473 122.0498 55.3259 31.4561 175.1636 26 I 4.9857 9.1245 127.2902 59.6281 40.8035 174.6086 27 E 5.1182 8.7618 123.9163 54.8874 33.1494 174.6487 28 A 5.7388 9.0734 125.5099 49.1621 23.4463 173.5712 29 A 5.1412 8.4810 118.5325 50.5864 23.4174 174.7074 30 S 4.4705 8.1705 113.0345 56.4499 63.4415 175.1555 31 T 4.4649 7.5673 126.0080 62.3310 69.1393 173.7062 32 T 4.4188 7.3583 126.0808 63.5373 76.4400 178.0266 33 Q 4.1290 9.1667 129.0718 57.1825 29.5562 175.9366 34 D 4.8232 8.6587 120.7151 54.9712 41.0550 176.6914 35 Q 4.3816 7.6689 118.3282 57.8895 29.9590 175.6859 36 C 5.0886 8.1970 123.7379 59.7751 31.8646 172.1191 37 K 4.7837 8.5198 124.8596 54.5386 35.1591 175.0344 38 L 5.0439 8.7430 123.2818 53.7970 46.0646 175.5022 39 T 4.6934 8.9013 121.5852 61.7932 71.9214 172.4873 40 L 5.1414 9.1906 128.7693 53.1151 45.5881 175.4592 41 D 5.1010 8.6887 125.7660 54.7356 41.9445 175.9816 42 I 4.6035 9.0471 121.5831 59.9876 42.6844 173.9781 43 N 4.7114 10.0045 125.9512 53.4458 38.4983 175.1388 44 V 4.0380 7.8489 129.7550 63.1921 31.7487 176.7330 45 E 4.5346 8.4605 118.8775 55.7411 31.6484 175.7956 46 L 4.5005 8.4885 116.5635 55.0212 42.9681 177.0031 47 F 4.9272 7.5085 117.5076 56.1370 40.8934 171.2883 48 P 4.2773 0.0000 0.0000 62.8921 32.2775 176.4762 49 V 4.0610 7.8322 117.7583 61.9386 34.2063 173.0221 50 A 4.7318 7.7008 129.8723 49.4831 21.5469 175.6199 51 A 3.8324 8.4858 121.7817 54.1136 18.6091 176.6749 52 Q 3.5313 8.8400 123.9710 56.2275 25.9461 172.5075 53 D 4.8742 7.8757 120.3723 52.4946 46.2373 174.7083 54 S 4.8541 8.4128 116.3149 57.3878 61.3710 173.2355 55 L 4.6344 8.6977 126.8105 55.5436 43.7612 176.5180 56 T 5.1139 8.3771 118.1479 62.0191 70.8032 173.4054 57 V 4.6348 8.5136 127.5122 61.9637 32.8705 175.0562 58 T 5.6912 8.1743 121.7793 62.4045 73.8054 174.8125 59 I 5.0209 8.5198 122.6640 60.0398 38.4516 177.5736 60 A 4.0058 9.5114 132.6430 52.4832 18.4355 177.9982 61 S 4.9419 9.4619 113.6903 53.6871 62.7468 172.2202 62 S 5.0445 7.1014 131.2713 58.9703 62.2588 178.1880 63 L 3.9395 6.6080 133.4158 55.4517 40.4136 178.5083 64 N 4.3748 8.0673 118.0747 51.4503 39.2338 176.0812 65 L 3.8457 7.6587 118.2625 55.7864 39.4759 175.1782 *76 T 4.1328 7.3949 113.5085 63.5066 69.6773 170.8190 77 R 3.9108 8.0516 126.3350 54.9294 30.6001 176.7784 78 S 4.2260 8.5564 115.7327 58.2354 63.4934 173.5165 79 W 4.7011 8.7429 131.3825 56.1938 31.4383 176.0722 80 R 4.1607 7.7505 124.5856 54.4098 31.9565 176.3690 81 P 4.4296 0.0000 0.0000 61.3260 32.0462 176.4774 82 P 4.2779 0.0000 0.0000 63.7958 29.3312 176.9244 83 Q 3.9776 9.6415 120.9986 56.7756 28.1989 175.8292 84 A 4.4422 7.5869 117.7805 52.2139 17.6620 179.5101 85 G 3.6770 8.5965 112.0260 49.5968 0.0000 174.9399 86 D 4.7993 7.9621 115.9253 53.6885 42.1420 175.1026 87 R 4.5725 7.3138 117.5052 53.9515 32.4023 176.0108 88 S 4.2895 8.2712 112.6103 60.0082 63.3774 174.9079 89 L 4.5682 7.8756 117.7084 54.4238 43.5640 176.8641 90 A 4.3860 7.9572 117.2317 52.6691 18.2271 177.5710 91 D 5.1037 9.1721 118.6437 55.2050 40.0025 178.2750 92 D 4.7676 8.5226 116.0791 55.9920 40.2645 175.6481 93 Y 4.9354 8.6656 119.5018 56.6805 40.8003 174.8245 94 D 4.9937 9.1472 119.5470 54.8244 43.0593 176.0650 95 Y 4.3688 7.5541 120.8406 56.7576 41.5508 173.4870 96 V 5.0300 8.5006 127.0387 60.7712 34.1263 174.3566 97 M 4.6660 8.0990 128.5329 54.6004 35.4004 174.2549 98 Y 5.1660 8.3832 118.5287 57.4351 41.0628 173.2677 99 G 3.5958 8.9393 118.9818 45.6806 0.0000 171.2393 100 T 5.1609 9.5292 119.9206 61.2646 73.8313 172.5988 101 A 4.5361 8.3685 124.2016 49.8125 20.4526 175.8393 102 Y 4.3431 8.7513 120.9711 58.4043 39.4566 175.5032 103 K 4.7225 7.0923 121.4154 53.2131 35.7494 174.3660 104 F 4.9402 8.2521 119.4913 55.5146 38.0031 174.4496 105 E 4.1139 8.4221 121.4024 56.7644 31.5686 176.6138 106 E 4.8343 8.5515 122.9920 54.3306 30.3169 176.7110 107 V 3.8349 8.3792 126.5189 63.5379 29.6854 175.5592 108 S 3.3990 8.6015 117.9868 58.6229 64.8088 174.0243 109 K 3.5329 8.1289 118.6401 58.1939 31.0914 177.5995 110 D 4.8571 8.5373 118.3436 53.5137 38.7887 177.3201 111 L 5.0495 7.9993 118.8773 52.8449 45.3778 177.3083 112 I 4.9472 8.3168 124.9772 59.2917 40.0590 174.6401 113 A 5.1901 8.3618 128.2492 49.2939 21.9710 175.0584 114 V 4.2902 7.9359 115.0509 59.6606 34.6415 174.5936 115 Y 4.8226 8.2227 121.6397 57.0069 40.2020 174.3434 116 Y 4.8022 9.0415 119.1084 56.4241 42.9031 174.5024 117 S 4.9394 9.2922 116.9746 57.1156 66.1598 172.9025 118 F 4.5225 9.6051 127.4785 55.7867 39.1581 175.9492 119 G 4.0583 9.0910 115.0252 46.1394 0.0000 171.0236 120 G 3.5663 6.8575 107.9601 44.7048 0.0000 174.6423 121 L 4.6492 8.2635 121.7318 53.1817 43.4409 176.7765 122 L 5.4625 9.3374 125.4491 54.3858 43.9041 175.5310 123 M 4.9200 8.2177 115.6009 55.5274 35.4982 173.3676 124 R 4.7143 8.9306 124.2576 54.4757 34.0566 173.4062 125 L 5.0225 8.2525 127.1644 53.1481 45.6994 174.5793 126 E 4.7952 8.6132 124.8189 53.3362 33.2681 173.2588 127 G 4.0638 7.8273 117.9363 45.6874 0.0000 174.0363 128 N 5.0464 8.1033 133.3881 53.7494 40.1401 173.3220 129 Y 4.7743 6.9634 113.3281 57.4931 38.7678 175.9111 130 R 4.7164 7.3889 119.8986 56.2533 30.6401 178.1993 131 N 4.4205 8.4252 117.0339 55.8668 38.9294 176.4707 132 L 4.8246 7.9675 114.2744 54.4583 42.8974 175.8784 133 N 4.7287 8.2193 115.1490 54.9379 40.2452 175.2613 134 N 4.6256 7.7888 120.8946 52.5577 37.8431 174.8956 135 L 4.4023 8.2953 126.5954 54.6516 42.3499 177.1233 136 K 4.6395 8.3480 116.5393 56.6220 33.4024 176.2276 137 Q 4.2927 7.8777 118.2823 55.2861 29.5260 175.8897 138 E 4.0201 8.7762 118.9223 59.4034 29.9898 175.7164 139 N 4.2560 7.5953 113.3058 52.4511 39.0540 174.9230 140 A 5.3517 8.0836 126.3647 52.4989 20.4366 174.3076 141 Y 4.6201 8.5839 120.0288 57.4227 39.8583 174.9736 142 L 5.1364 8.7317 124.6119 53.6494 45.3841 174.9298 143 L 5.0063 7.9466 120.2516 53.3864 46.4949 175.3116 144 I 5.3865 8.7930 121.8940 58.9418 41.7403 174.4314 145 R 4.8866 8.2404 120.8017 55.4289 33.4155 175.4221 146 R 4.3112 8.4814 118.2524 57.0029 30.6384 176.2949 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 2 S 8.23 4.45 0.00 3.99 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 3 N 7.97 4.86 0.00 2.79 2.78 0.00 0.00 7.03 6.65 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 4 T 8.91 4.53 4.28 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 1.26 0.00 0.00 5 L 7.93 4.80 0.00 1.75 1.72 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.60 4.68 0.00 3.12 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 7 D 7.69 5.07 0.00 2.56 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 0.00 0.00 0.00 0.00 8 D 7.61 4.27 0.00 2.40 2.37 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 9 I 8.04 5.02 1.80 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 1.25 1.05 1.01 0.00 0.00 10 F 9.86 6.05 0.00 2.89 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 11 Q 8.48 5.78 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 12 V 8.60 3.79 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 1.07 0.00 0.00 0.98 0.00 0.00 13 S 9.29 4.23 0.00 3.89 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 14 E 7.86 4.73 0.00 2.03 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 2.24 2.26 0.00 15 V 8.49 4.47 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 0.85 0.00 0.00 1.01 0.00 0.00 16 D 8.89 4.85 0.00 2.82 2.47 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 17 P 0.00 5.08 0.00 2.12 2.07 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 18 G 8.06 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 0.00 0.00 0.00 19 R 7.90 3.92 0.00 1.82 2.05 0.00 3.08 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 20 Y 7.39 5.17 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.98 4.16 0.00 2.74 2.92 0.00 0.00 7.02 7.61 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 22 K 7.97 4.70 0.00 1.63 1.73 0.00 1.67 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.39 7.81 23 V 8.31 4.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.91 0.00 0.00 24 C 9.06 5.22 0.00 2.94 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 25 R 8.65 4.76 0.00 2.12 1.83 0.00 3.08 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 26 I 9.12 4.99 2.01 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 1.25 0.62 0.91 0.00 0.00 27 E 8.76 5.12 0.00 1.82 1.82 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 2.21 2.24 0.00 28 A 9.07 5.74 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 29 A 8.48 5.14 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 30 S 8.17 4.47 0.00 3.54 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.57 4.46 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 1.17 0.00 0.00 32 T 7.36 4.42 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 1.11 0.00 0.00 33 Q 9.17 4.13 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.09 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 34 D 8.66 4.82 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 35 Q 7.67 4.38 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 36 C 8.20 5.09 0.00 3.19 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 37 K 8.52 4.78 0.00 1.73 1.70 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.75 7.81 38 L 8.74 5.04 0.00 1.40 1.19 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.90 4.69 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 40 L 9.19 5.14 0.00 1.54 1.32 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.69 5.10 0.00 2.74 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 42 I 9.05 4.60 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.24 1.30 0.00 0.00 43 N 10.00 4.71 0.00 2.77 2.69 0.00 0.00 6.65 7.65 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 44 V 7.85 4.04 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 0.77 0.00 0.00 1.09 0.00 0.00 45 E 8.46 4.53 0.00 1.91 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 2.16 2.28 0.00 46 L 8.49 4.50 0.00 1.44 1.60 0.80 0.69 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 47 F 7.51 4.93 0.00 2.86 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 48 P 0.00 4.28 0.00 1.94 1.92 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 49 V 7.83 4.06 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 0.71 0.00 0.00 0.76 0.00 0.00 50 A 7.70 4.73 1.20 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 51 A 8.49 3.83 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 52 Q 8.84 3.53 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 53 D 7.88 4.87 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.41 4.85 0.00 3.91 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 55 L 8.70 4.63 0.00 1.81 1.74 1.03 0.89 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 56 T 8.38 5.11 4.37 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 1.34 0.00 0.00 57 V 8.51 4.63 2.43 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 1.30 0.00 0.00 0.66 0.00 0.00 58 T 8.17 5.69 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 59 I 8.52 5.02 1.96 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.69 0.93 0.00 0.00 60 A 9.51 4.01 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 61 S 9.46 4.94 0.00 4.05 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 62 S 7.10 5.04 0.00 4.03 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 6.61 3.94 0.00 1.42 1.60 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.07 4.37 0.00 2.57 2.70 0.00 0.00 7.06 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.66 3.85 0.00 1.75 1.98 0.92 0.84 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 *76 T 7.39 4.13 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 1.31 0.00 0.00 77 R 8.05 3.91 0.00 2.02 1.98 0.00 3.29 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 78 S 8.56 4.23 0.00 4.07 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 79 W 8.74 4.70 0.00 3.34 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.75 4.16 0.00 1.54 1.56 0.00 3.18 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 81 P 0.00 4.43 0.00 1.87 1.10 0.00 3.40 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00 82 P 0.00 4.28 0.00 2.15 1.59 0.00 3.78 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 1.91 1.96 0.00 83 Q 9.64 3.98 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.23 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 84 A 7.59 4.44 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 85 G 8.60 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 0.00 0.00 0.00 86 D 7.96 4.80 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.31 4.57 0.00 1.81 1.86 0.00 3.20 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 88 S 8.27 4.29 0.00 4.03 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 0.00 89 L 7.88 4.57 0.00 1.71 1.94 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.96 4.39 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 91 D 9.17 5.10 0.00 2.75 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 92 D 8.52 4.77 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.67 4.94 0.00 2.78 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 94 D 9.15 4.99 0.00 2.44 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 95 Y 7.55 4.37 0.00 2.06 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 0.00 0.00 0.00 0.00 96 V 8.50 5.03 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 1.27 0.00 0.00 0.96 0.00 0.00 97 M 8.10 4.67 0.00 1.60 1.16 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 98 Y 8.38 5.17 0.00 2.32 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 99 G 8.94 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 0.00 0.00 0.00 100 T 9.53 5.16 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 101 A 8.37 4.54 0.34 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 0.00 102 Y 8.75 4.34 0.00 3.04 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 0.00 103 K 7.09 4.72 0.00 1.72 1.43 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 104 F 8.25 4.94 0.00 2.82 2.99 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 0.00 105 E 8.42 4.11 0.00 2.39 2.13 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 2.38 2.38 0.00 106 E 8.55 4.83 0.00 1.98 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 2.22 2.28 0.00 107 V 8.38 3.83 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 0.77 0.00 0.00 0.94 0.00 0.00 108 S 8.60 3.40 0.00 4.14 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 0.00 109 K 8.13 3.53 0.00 1.88 1.59 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.41 7.81 110 D 8.54 4.86 0.00 2.78 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 0.00 111 L 8.00 5.05 0.00 2.07 1.59 0.98 0.63 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 0.00 112 I 8.32 4.95 1.85 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 1.31 1.27 0.91 0.00 0.00 113 A 8.36 5.19 1.01 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 0.00 114 V 7.94 4.29 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 -0.36 0.00 0.00 0.71 0.00 0.00 115 Y 8.22 4.82 0.00 2.01 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 0.00 0.00 0.00 0.00 116 Y 9.04 4.80 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 9.29 4.94 0.00 3.82 3.48 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 0.00 118 F 9.61 4.52 0.00 3.06 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 0.00 119 G 9.09 4.06 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 0.00 0.00 0.00 120 G 6.86 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.26 4.65 0.00 1.85 1.75 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.34 5.46 0.00 1.84 1.83 1.05 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 0.00 123 M 8.22 4.92 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 124 R 8.93 4.71 0.00 1.55 1.49 0.00 2.87 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.00 125 L 8.25 5.02 0.00 1.47 1.12 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.61 4.80 0.00 1.94 1.67 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 2.14 2.14 0.00 127 G 7.83 4.06 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 0.00 0.00 0.00 128 N 8.10 5.05 0.00 2.80 2.87 0.00 0.00 6.71 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 0.00 129 Y 6.96 4.77 0.00 3.13 3.08 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 0.00 130 R 7.39 4.72 0.00 1.95 2.10 0.00 2.96 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 131 N 8.43 4.42 0.00 2.77 2.94 0.00 0.00 6.97 7.85 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 0.00 132 L 7.97 4.82 0.00 1.64 1.67 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.22 4.73 0.00 2.81 3.12 0.00 0.00 7.02 8.00 0.00 0.00 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 N 7.79 4.63 0.00 2.69 2.91 0.00 0.00 7.36 9.06 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 0.00 135 L 8.30 4.40 0.00 1.79 1.72 0.98 0.94 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 0.00 136 K 8.35 4.64 0.00 1.51 1.32 0.00 1.51 0.00 0.00 1.19 0.00 0.00 2.60 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.43 1.21 7.81 137 Q 7.88 4.29 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 138 E 8.78 4.02 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 2.52 2.29 0.00 139 N 7.60 4.26 0.00 2.88 2.91 0.00 0.00 6.72 7.35 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 0.00 140 A 8.08 5.35 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 0.00 141 Y 8.58 4.62 0.00 2.78 2.88 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 0.00 142 L 8.73 5.14 0.00 1.68 1.12 0.86 -0.06 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 0.00 143 L 7.95 5.01 0.00 0.97 0.32 0.85 0.01 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 0.00 144 I 8.79 5.39 1.47 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.74 0.84 0.00 0.00 145 R 8.24 4.89 0.00 1.78 1.95 0.00 2.87 0.00 0.00 2.74 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 146 R 8.48 4.31 0.00 2.09 2.06 0.00 3.22 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.