NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.2947 8.2493 123.5783 50.9542 19.9013 176.4055 9 P 4.1991 0.0000 0.0000 62.6056 31.7710 174.0804 10 T 4.3280 8.2512 115.6861 61.5490 71.7672 174.5509 11 L 4.4946 8.2000 128.4201 53.5662 43.1701 176.0099 12 G 4.0125 8.6768 114.2711 45.9218 0.0000 172.3369 13 I 5.1752 8.1286 122.5975 59.4491 40.7181 174.5935 14 I 4.3422 8.8363 128.9084 59.6702 39.0408 174.7568 15 R 4.6470 8.4871 128.0420 55.3888 30.8784 176.0568 16 L 4.3216 8.9602 126.9431 53.8095 43.2334 177.6455 17 E 3.8791 8.9576 121.3384 59.7908 29.5377 178.4458 18 H 4.4033 8.2213 111.3333 57.0875 29.1362 175.3840 19 A 4.3618 8.0493 125.5919 52.4537 19.3290 177.8125 20 K 4.1115 7.5584 118.6080 56.0638 32.0470 182.6756 21 G 4.0838 9.0031 111.9931 44.4358 0.0000 173.6301 22 L 4.4483 7.1984 118.6770 53.4299 42.8036 176.3890 23 D 4.4781 8.3527 121.4878 54.1268 41.3946 176.7901 24 L 4.2116 8.1965 123.0739 53.6313 42.4237 175.2624 25 P 4.2474 0.0000 0.0000 63.3454 31.8037 175.7979 26 A 4.4565 7.6958 121.9983 51.1197 21.9048 175.6125 27 Y 4.2271 8.4034 120.8365 58.0624 38.8141 176.7204 28 E 4.1672 9.0854 121.3656 58.6530 30.2467 174.0723 29 T 4.7926 8.0865 107.8871 59.2912 72.1243 174.4969 30 A 4.0074 8.6326 123.8370 54.6951 18.3672 178.8591 31 G 3.8164 7.7912 103.3932 46.8091 0.0000 174.7464 32 S 4.2798 7.6706 116.2449 58.7239 63.3544 174.1103 33 A 4.4025 8.6897 126.0062 53.3548 19.5036 177.1097 34 G 4.4934 7.9734 100.4605 44.9097 0.0000 171.8367 35 M 4.6968 8.6683 119.2881 53.0205 34.7893 175.7105 36 D 4.9339 8.7004 123.0917 54.4244 42.0474 175.5268 37 L 4.7956 8.9160 122.5190 53.1325 44.6945 175.7254 38 R 5.2300 8.3443 120.5720 54.0630 33.9139 174.9969 39 A 4.1920 8.9133 124.5316 51.4058 19.3538 178.3708 40 A 4.7429 8.5809 128.9954 51.5204 17.9077 177.1969 41 V 3.9288 7.6079 113.7913 60.3679 33.6521 176.7328 42 A 4.0752 8.2745 123.9197 52.0568 18.7475 177.0892 43 E 4.0488 8.5052 122.4349 57.7909 30.2008 176.5001 44 D 4.5505 8.8541 122.6433 54.6300 38.2520 173.3668 45 R 4.5022 7.5070 118.3983 54.4061 31.9210 174.7071 46 Q 4.7162 8.5969 124.0374 54.2831 30.8483 174.9552 47 I 4.2125 8.5798 126.1764 60.2704 38.9285 175.0107 48 V 4.5235 8.3492 127.0797 61.3831 32.9153 174.5565 49 L 4.6834 9.2047 130.7161 53.3439 44.1019 175.7363 50 L 4.7386 8.4062 126.4740 53.0078 43.7228 174.9162 51 P 4.4114 0.0000 0.0000 64.5489 31.5098 177.3200 52 G 3.9710 9.3656 112.2459 45.1544 0.0000 173.5501 53 R 4.6858 7.8046 118.9586 55.0982 32.1853 175.6472 54 R 5.2075 8.2741 116.5320 55.1893 32.8002 174.1866 55 T 4.6639 8.6592 113.5530 61.0429 71.5362 172.1197 56 L 4.8583 8.4529 126.0006 54.0193 42.9642 176.1957 57 V 4.4521 8.8693 124.8599 60.2818 33.5884 173.1666 58 P 4.8276 0.0000 0.0000 63.2996 32.1068 176.9052 59 T 4.4559 8.0409 111.5409 60.1024 70.2810 175.7863 60 G 3.7152 8.9121 110.5771 45.7931 0.0000 172.2868 61 L 5.1902 7.7100 118.8095 52.6228 45.0045 175.4163 62 I 4.6705 8.6729 124.3836 59.7121 39.2526 174.5926 63 L 4.8955 8.5835 126.9768 53.7881 43.4441 176.7084 64 E 4.5807 9.1824 124.2185 54.7778 30.0074 173.8201 65 I 4.6853 8.0364 124.9784 59.5983 38.8115 173.8858 66 P 4.5288 0.0000 0.0000 62.0039 32.1413 175.3670 67 Q 3.7980 8.6555 120.4246 58.5214 29.2679 177.3846 68 G 3.7693 9.7497 112.4651 45.1041 0.0000 171.7413 69 Y 5.0857 7.3462 115.8482 56.0718 42.3674 173.9138 70 E 4.8485 9.0880 118.3437 54.8278 34.0896 174.1422 71 V 4.8843 8.6784 119.5682 61.2230 34.6275 173.9493 72 Q 5.0401 9.2925 126.8487 54.3799 31.1882 174.5880 73 I 4.6521 8.7522 125.9429 60.3423 38.4986 175.1905 74 R 4.9931 8.9899 126.4715 53.4638 33.6328 174.1017 75 P 4.7600 0.0000 0.0000 62.4511 32.4811 176.4062 76 R 4.3306 8.3929 121.1749 55.7351 31.3619 178.2168 77 S 4.2906 8.8091 118.9524 61.5121 62.9236 177.1719 78 G 3.6859 8.0551 108.0720 47.7991 0.0000 175.5212 79 L 4.1835 8.0089 120.9145 57.4384 41.6315 179.3763 80 A 4.5511 7.7398 121.8967 54.6161 18.1394 179.4737 81 F 4.1545 8.2299 120.1846 62.1687 39.6454 177.9095 82 K 3.8521 8.4318 122.3142 58.9068 31.6734 179.2447 83 N 4.9261 7.9730 114.1349 51.8517 40.6717 175.5099 84 G 3.8039 8.0582 106.4617 45.9796 0.0000 172.6355 85 I 4.4838 7.1386 120.3021 60.5581 38.8352 174.9580 86 T 4.9210 8.4705 119.9056 61.0287 71.9708 171.4827 87 C 4.8510 8.4130 120.0253 58.2736 28.8398 175.1897 88 L 3.9457 8.8779 127.7641 57.6608 41.8786 177.0425 89 N 4.8229 7.9094 113.9141 52.8575 37.6180 174.6742 90 T 4.2176 7.3829 113.7260 62.1067 68.1419 171.9273 91 P 4.6158 0.0000 0.0000 62.2720 32.4676 176.0718 92 G 3.7014 9.0386 112.8311 46.5245 0.0000 172.2374 93 T 4.9098 8.4397 122.3138 62.2680 70.0871 174.1378 94 I 4.4351 8.8070 128.1695 59.5217 40.1368 175.2683 95 D 5.3196 8.5283 126.9282 51.5371 42.0397 177.3268 96 S 4.6012 8.5909 111.5611 59.7222 63.2786 174.8879 97 D 4.4793 8.2115 120.6859 56.1735 41.2978 175.9362 98 Y 4.2842 8.1507 121.6009 57.6202 38.7428 175.5686 99 R 4.3708 7.9677 125.0670 55.6547 31.2093 175.9720 100 G 3.6195 5.6793 106.7212 43.4323 0.0000 173.5081 101 E 4.1343 8.3747 120.4844 55.9512 30.4284 176.2628 102 V 4.0706 9.0036 127.1000 62.8546 32.4890 174.8391 103 K 5.0862 8.7544 126.6770 54.5880 35.7952 175.4656 104 V 4.1972 8.6336 123.7429 61.2994 33.7318 174.6220 105 L 4.8968 8.4940 130.5507 54.0982 42.1301 174.7281 106 L 4.8368 8.6143 126.0268 53.8770 43.5862 175.6527 107 I 4.9124 8.6313 122.4205 59.2162 41.7993 173.7966 108 N 4.6913 9.0076 128.0845 52.3348 39.5646 174.3690 109 L 4.6586 8.7710 126.6131 54.6200 42.6919 177.0611 110 G 4.2203 8.1942 110.3287 44.3596 0.0000 173.2853 111 D 4.7412 8.5556 117.3832 54.2278 41.8354 175.6923 112 D 5.0953 7.6256 118.2302 52.1536 43.8793 175.6507 113 D 4.6392 8.6178 119.9883 54.4204 41.9076 175.6634 114 F 4.9861 9.1865 124.8229 56.5219 42.1885 174.0616 115 R 4.8013 7.7453 124.4862 54.6639 31.6566 175.4461 116 I 4.2521 8.7138 125.5874 59.8106 39.3128 174.8009 117 E 4.9472 8.4115 125.0720 53.8291 33.8858 175.3740 118 R 4.1584 8.5528 122.1878 58.2729 30.4313 177.0204 119 G 3.9824 9.1953 114.3416 45.1937 0.0000 173.3806 120 M 4.1840 7.6944 120.4944 55.6766 33.4310 175.4938 121 R 4.7118 8.6664 125.4219 56.2891 30.3678 176.1677 122 I 4.5768 8.6052 116.8970 60.6993 39.6237 174.6743 123 A 4.6294 7.3947 123.2924 51.5902 22.7160 174.5337 124 Q 5.0467 9.0180 116.7040 54.5011 32.0192 174.3190 125 A 5.2244 9.0787 124.0861 50.3474 21.7112 175.6715 126 V 4.7345 8.8635 122.5372 61.0144 34.4365 173.9046 127 F 5.3894 9.1525 129.7733 56.8690 40.8754 174.4710 128 A 5.0107 8.5059 126.5650 49.4780 22.8797 173.7420 129 P 4.5051 0.0000 0.0000 62.8606 32.2310 175.9926 130 V 4.5939 8.2812 120.7619 59.8418 34.1317 174.9179 131 I 4.4139 8.3376 115.5809 59.0614 40.1097 175.1046 132 Q 4.4470 8.2970 121.4756 53.3147 29.4112 173.9918 133 P 4.4321 0.0000 0.0000 61.7417 32.1775 176.3102 134 K 3.9547 8.4122 120.9135 56.6530 32.6281 176.1051 135 I 4.2552 8.2069 126.6692 59.6331 38.0954 174.6990 136 E 4.5158 8.4876 126.0818 53.8216 31.4990 174.8058 137 E 4.1616 8.7271 127.5627 56.1732 30.4353 175.8013 138 R 4.6792 8.2692 122.6885 54.3105 34.2574 174.1381 139 A 4.8173 8.6017 124.6042 50.9679 22.4589 174.7226 140 K 4.3926 9.0446 123.0852 55.9761 32.4770 175.0965 *146 R 4.3295 9.3368 113.6021 56.7108 32.2642 179.2144 147 G 4.1024 8.0723 102.3236 45.1973 0.0000 172.8232 148 A 4.0996 8.1512 123.5501 50.7907 19.0661 177.8304 149 G 4.1195 8.0464 120.9734 45.9618 0.0000 172.9961 150 G 3.9641 7.1711 109.1881 44.1050 0.0000 173.6806 151 F 4.3684 8.4380 116.8732 57.6369 39.8957 175.2007 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 8 A 8.25 4.29 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 9 P 0.00 4.20 0.00 1.84 1.50 0.00 3.66 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 1.73 1.72 0.00 10 T 8.25 4.33 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 1.16 0.00 0.00 11 L 8.20 4.49 0.00 1.30 1.39 1.17 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.68 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 13 I 8.13 5.18 1.86 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 1.35 0.70 0.90 0.00 0.00 14 I 8.84 4.34 1.85 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 1.10 0.79 0.90 0.00 0.00 15 R 8.49 4.65 0.00 1.80 1.81 0.00 3.21 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 16 L 8.96 4.32 0.00 1.50 1.54 0.94 0.66 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 17 E 8.96 3.88 0.00 2.05 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 2.40 2.40 0.00 18 H 8.22 4.40 0.00 3.32 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.05 4.36 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 20 K 7.56 4.11 0.00 1.81 1.63 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.27 7.81 21 G 9.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.20 4.45 0.00 1.77 1.59 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.35 4.48 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.21 0.00 1.61 1.57 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.25 0.00 1.93 1.90 0.00 3.67 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 2.06 0.00 26 A 7.70 4.46 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.40 4.23 0.00 3.01 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.09 4.17 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 2.23 1.87 0.00 29 T 8.09 4.79 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 1.23 0.00 0.00 30 A 8.63 4.01 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 31 G 7.79 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 0.00 0.00 0.00 32 S 7.67 4.28 0.00 4.14 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 33 A 8.69 4.40 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 34 G 7.97 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.67 4.70 0.00 1.61 1.69 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.07 0.00 36 D 8.70 4.93 0.00 2.54 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.92 4.80 0.00 1.57 1.55 0.94 0.91 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 38 R 8.34 5.23 0.00 1.73 1.80 0.00 3.12 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 39 A 8.91 4.19 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 40 A 8.58 4.74 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 41 V 7.61 3.93 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 0.74 0.00 0.00 0.94 0.00 0.00 42 A 8.27 4.08 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 43 E 8.51 4.05 0.00 1.92 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 2.29 2.39 0.00 44 D 8.85 4.55 0.00 2.88 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 45 R 7.51 4.50 0.00 1.82 1.99 0.00 3.21 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 46 Q 8.60 4.72 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 47 I 8.58 4.21 1.86 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 1.11 0.63 0.92 0.00 0.00 48 V 8.35 4.52 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 0.76 0.00 0.00 0.92 0.00 0.00 49 L 9.20 4.68 0.00 1.85 1.72 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.41 4.74 0.00 1.66 1.58 0.93 1.14 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 51 P 0.00 4.41 0.00 2.04 2.20 0.00 3.70 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 2.04 2.28 0.00 52 G 9.37 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 53 R 7.80 4.69 0.00 1.88 1.86 0.00 3.24 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 54 R 8.27 5.21 0.00 1.85 1.85 0.00 3.05 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 55 T 8.66 4.66 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 56 L 8.45 4.86 0.00 1.59 1.61 0.94 0.86 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 57 V 8.87 4.45 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 1.11 0.00 0.00 0.98 0.00 0.00 58 P 0.00 4.83 0.00 2.31 2.20 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 59 T 8.04 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 1.27 0.00 0.00 60 G 8.91 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 61 L 7.71 5.19 0.00 1.62 1.54 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.67 4.67 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.87 0.00 0.00 63 L 8.58 4.90 0.00 1.63 1.69 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.18 4.58 0.00 1.88 1.90 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 2.23 2.26 0.00 65 I 8.04 4.69 1.96 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 1.59 1.29 0.99 0.00 0.00 66 P 0.00 4.53 0.00 2.41 2.27 0.00 4.07 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 67 Q 8.66 3.80 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 68 G 9.75 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 69 Y 7.35 5.09 0.00 2.71 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 70 E 9.09 4.85 0.00 2.00 1.93 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 2.21 2.16 0.00 71 V 8.68 4.88 2.14 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 1.13 0.00 0.00 1.13 0.00 0.00 72 Q 9.29 5.04 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 73 I 8.75 4.65 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.91 0.92 0.00 0.00 74 R 8.99 4.99 0.00 1.70 1.80 0.00 3.15 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 75 P 0.00 4.76 0.00 1.94 1.97 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 76 R 8.39 4.33 0.00 1.89 1.87 0.00 3.27 0.00 0.00 3.50 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 77 S 8.81 4.29 0.00 3.88 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 78 G 8.06 3.69 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 0.00 0.00 0.00 79 L 8.01 4.18 0.00 1.66 1.59 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.74 4.55 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 81 F 8.23 4.15 0.00 3.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.43 3.85 0.00 1.85 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 83 N 7.97 4.93 0.00 2.51 2.70 0.00 0.00 7.09 6.93 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 84 G 8.06 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 85 I 7.14 4.48 1.45 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.65 0.00 0.00 86 T 8.47 4.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 87 C 8.41 4.85 0.00 2.91 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 88 L 8.88 3.95 0.00 1.57 1.69 0.91 1.14 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 89 N 7.91 4.82 0.00 2.84 2.86 0.00 0.00 5.96 7.71 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 90 T 7.38 4.22 4.35 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 1.27 0.00 0.00 91 P 0.00 4.62 0.00 2.12 2.05 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 92 G 9.04 3.70 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 0.00 0.00 0.00 93 T 8.44 4.91 4.19 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 1.21 0.00 0.00 94 I 8.81 4.44 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 1.17 0.75 1.04 0.00 0.00 95 D 8.53 5.32 0.00 2.80 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 96 S 8.59 4.60 0.00 4.20 4.19 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 97 D 8.21 4.48 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.15 4.28 0.00 3.08 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 99 R 7.97 4.37 0.00 1.64 1.74 0.00 3.37 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 100 G 5.68 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.37 4.13 0.00 1.97 1.93 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 2.36 2.34 0.00 102 V 9.00 4.07 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 0.93 0.00 0.00 1.08 0.00 0.00 103 K 8.75 5.09 0.00 1.67 1.69 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.63 7.81 104 V 8.63 4.20 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 0.85 0.00 0.00 0.95 0.00 0.00 105 L 8.49 4.90 0.00 1.81 1.72 0.96 0.66 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 0.00 106 L 8.61 4.84 0.00 1.70 1.55 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.63 4.91 1.86 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 1.09 1.67 0.94 0.00 0.00 108 N 9.01 4.69 0.00 2.80 2.85 0.00 0.00 6.92 6.18 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 0.00 109 L 8.77 4.66 0.00 1.61 1.61 0.90 0.70 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 0.00 110 G 8.19 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 0.00 0.00 0.00 0.00 111 D 8.56 4.74 0.00 2.64 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 0.00 112 D 7.63 5.10 0.00 2.56 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 4.64 0.00 2.58 2.62 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 0.00 114 F 9.19 4.99 0.00 3.05 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 0.00 115 R 7.75 4.80 0.00 1.44 1.65 0.00 3.48 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 116 I 8.71 4.25 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.94 0.00 0.00 117 E 8.41 4.95 0.00 1.80 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 118 R 8.55 4.16 0.00 1.87 1.85 0.00 3.47 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 119 G 9.20 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 0.00 0.00 0.00 120 M 7.69 4.18 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 121 R 8.67 4.71 0.00 1.77 1.88 0.00 3.37 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 122 I 8.61 4.58 1.93 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 1.34 0.70 1.00 0.00 0.00 123 A 7.39 4.63 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 0.00 124 Q 9.02 5.05 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 125 A 9.08 5.22 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 0.00 126 V 8.86 4.73 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 0.96 0.00 0.00 1.01 0.00 0.00 127 F 9.15 5.39 0.00 3.14 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 0.00 128 A 8.51 5.01 1.21 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 0.00 0.00 129 P 0.00 4.51 0.00 1.93 1.93 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 130 V 8.28 4.59 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 0.67 0.00 0.00 0.87 0.00 0.00 131 I 8.34 4.41 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.84 0.00 0.00 132 Q 8.30 4.45 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.07 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 133 P 0.00 4.43 0.00 2.16 2.04 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 134 K 8.41 3.95 0.00 1.73 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 135 I 8.21 4.26 1.87 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 1.29 0.99 0.91 0.00 0.00 136 E 8.49 4.52 0.00 1.86 1.80 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 2.17 2.24 0.00 137 E 8.73 4.16 0.00 1.97 1.83 0.00 0.00 0.00 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 2.33 0.00 138 R 8.27 4.68 0.00 1.77 1.75 0.00 3.21 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 139 A 8.60 4.82 1.21 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 0.00 0.00 140 K 9.04 4.39 0.00 1.72 1.33 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 0.97 7.81 *146 R 9.34 4.33 0.00 1.85 1.91 0.00 3.25 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 147 G 8.07 4.10 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 0.00 0.00 0.00 148 A 8.15 4.10 1.18 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 0.00 0.00 0.00 149 G 8.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.17 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.44 4.37 0.00 2.99 2.94 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 * Residues marked with a * may have inaccurate shift predictions.