NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4329 8.3044 120.3510 55.3681 33.4073 174.4390 2 E 4.3227 8.4173 124.5272 54.0141 32.3685 173.6548 3 L 4.3769 9.2848 128.1964 53.6958 41.8226 175.7831 4 I 4.1676 8.0233 124.4300 60.5010 38.1476 175.8131 5 R 4.6982 8.3608 123.3304 54.5469 32.5656 174.4983 6 F 4.9939 7.9548 117.8503 55.7101 40.7537 173.1317 7 S 4.7557 8.5757 115.2506 56.2952 65.7598 173.2612 8 I 4.6635 7.8469 113.3501 59.0012 40.3193 174.6520 9 S 4.4517 8.5666 117.2083 57.4158 62.8672 173.2661 10 I 4.5989 8.0126 127.1354 57.3134 41.0661 173.2599 11 P 4.3482 0.0000 0.0000 63.0957 32.7146 176.8299 12 S 4.0476 8.8027 118.3294 61.9947 62.8625 176.6042 13 K 3.8805 8.1521 121.2594 59.7936 31.5975 178.3478 14 L 3.8731 7.7921 119.7263 58.1367 42.1915 178.5165 15 L 4.0967 8.4128 120.1938 57.3144 41.8935 178.5389 16 E 4.0008 8.5981 120.0004 59.6353 29.6695 178.7429 17 K 4.0813 8.1066 118.1771 59.3259 32.0302 178.4783 18 F 4.5460 8.1349 122.2187 60.6108 39.3284 176.4591 19 D 4.1637 8.2397 118.2206 57.7162 40.6622 179.0459 20 Q 3.9438 7.9773 118.6691 59.3767 29.3958 178.2348 21 I 4.0076 7.4733 120.1671 63.5510 37.1697 178.1612 22 I 3.4328 7.8499 121.2845 64.4960 36.8976 177.3716 23 E 3.8790 8.2243 119.6424 60.1324 29.1256 178.4977 24 E 3.7934 8.0478 116.2440 60.0866 29.7484 179.1186 25 I 3.9107 7.6788 119.9310 63.3798 37.3588 177.1746 26 G 4.1112 8.0302 107.5152 45.8309 0.0000 173.3364 27 Y 4.1979 7.6499 117.3966 57.4855 38.7394 175.3837 28 E 4.5118 8.4115 119.4383 57.4539 31.2430 176.0976 29 N 5.0798 7.6161 113.7096 50.2214 40.7451 175.3285 30 R 3.9305 8.4561 117.0736 59.2150 30.0472 179.3066 31 S 4.1098 8.0679 114.7570 61.4261 62.7698 176.2084 32 E 3.9323 8.0842 120.3143 59.2519 29.6495 178.3031 33 A 3.4697 7.9867 120.2145 55.4675 18.3582 179.4696 34 I 3.7755 8.4850 118.1058 64.5778 37.1209 178.9892 35 R 4.0013 8.0971 118.8857 59.3845 29.9121 178.4950 36 D 4.4329 8.2225 118.5741 57.6059 40.8746 178.6662 37 L 4.0463 7.9828 118.7854 58.3635 41.6315 180.0919 38 I 3.8430 7.7558 119.0403 64.5343 37.1340 178.5854 39 R 3.9834 8.4049 119.3822 59.4027 29.8369 178.6967 40 D 4.3458 8.8810 118.0906 57.2815 41.3360 177.9235 41 F 4.1790 8.6964 121.6665 61.3853 39.2928 177.1705 42 I 3.6364 8.2326 119.5356 64.3598 36.7156 178.1771 43 I 4.0434 7.3237 120.5932 64.0829 37.1207 178.5757 44 R 4.0640 8.0088 116.7615 58.3918 30.1652 177.6530 45 H 4.6514 7.6455 113.4791 54.9769 30.2409 175.2990 46 E 4.0979 8.5273 121.8888 59.3986 29.0265 179.3498 47 W 4.2360 8.1449 115.3427 59.2743 28.4225 177.4970 48 E 3.3705 7.4116 117.5321 55.9630 28.7791 176.5695 49 V 4.0400 6.9516 120.2236 63.4528 32.9511 174.1816 50 G 4.0782 9.7110 114.2790 43.9292 0.0000 173.7589 51 N 4.8862 8.3388 119.1874 53.9388 41.0821 174.1461 52 E 4.1744 8.4774 116.3284 56.2135 30.7281 175.0076 53 E 4.6303 8.6884 120.6862 55.6610 30.9522 175.7026 54 V 4.5408 9.1863 121.1825 60.1212 35.4214 174.5184 55 A 4.7036 7.5651 120.8312 51.1621 22.9353 176.9884 56 G 4.0221 7.8439 108.0878 45.9313 0.0000 171.0813 57 T 4.9168 7.2727 109.3861 59.9771 71.6649 173.6672 58 I 4.3696 8.7557 126.7962 60.0425 38.3649 174.2943 59 T 4.8111 8.2972 125.0650 62.7167 70.0232 174.3432 60 I 4.7378 8.4458 118.1508 59.4156 42.2167 173.9692 61 V 4.8823 8.2887 120.6749 61.6180 35.1195 173.8348 62 Y 5.1596 8.1988 124.0403 56.2111 41.6862 172.2836 63 N 5.6086 8.5335 117.5816 52.1862 41.1877 174.7625 64 H 4.5792 9.5551 121.4249 57.0281 28.4382 175.6366 65 D 4.6595 8.1688 118.9286 55.8834 42.9723 176.3719 66 E 4.1470 7.4638 120.0485 54.8186 28.0404 175.0356 67 G 3.8228 7.8415 105.6516 44.3865 0.0000 171.5973 68 D 4.7320 8.6732 122.3270 54.0278 41.8320 179.6014 69 V 3.3971 7.6358 119.4652 65.1924 31.6904 178.4041 70 V 3.3119 7.6785 119.7692 65.2832 31.4771 177.5757 71 K 3.8290 7.9691 118.4664 59.4293 32.1012 177.9880 72 A 3.9419 8.3627 121.3086 55.4540 18.1448 179.2510 73 L 3.8886 7.9113 116.8757 58.1310 41.7470 179.8911 74 L 4.0635 7.8394 118.3341 58.0085 41.4109 179.2647 75 D 4.3815 8.3709 117.5592 57.4740 41.0070 178.4035 76 L 4.1524 8.5733 120.8593 58.2897 42.1084 178.7115 77 Q 4.0869 8.9461 118.2894 59.6346 28.6736 179.0343 78 H 4.2057 8.6884 115.0786 58.1297 28.7265 176.9586 79 E 4.0485 8.3840 121.5194 57.9199 30.6072 176.5807 80 Y 4.6459 8.0239 116.6233 56.3364 37.6733 175.8869 81 L 4.0300 7.8411 124.5246 58.3063 42.7154 180.1398 82 D 4.4480 8.1107 117.1295 57.6412 41.1776 178.5207 83 E 4.4965 8.0507 116.3091 57.3919 29.9297 176.2476 84 I 4.5365 7.5409 120.0396 60.0413 37.1926 175.4646 85 I 4.0005 8.1258 127.8921 63.5303 37.0596 177.1440 86 S 4.7385 7.4547 114.9116 58.2754 68.0202 172.3497 87 S 4.8664 8.1464 112.0849 57.9155 65.0368 174.8503 88 L 4.3792 8.5734 127.7067 54.7554 43.6348 175.1469 89 H 5.1470 8.5360 124.0112 54.8659 32.4697 172.2234 90 V 4.2616 8.7912 126.8035 61.7014 33.7820 174.3085 91 H 4.9585 8.5068 124.2013 55.0790 29.0103 175.1443 92 M 4.2265 8.7634 124.6730 57.8016 31.6985 175.8098 93 D 4.5647 7.4350 116.8165 52.3977 41.5614 174.8739 94 E 4.0822 8.9173 117.8279 59.4745 30.0219 178.0424 95 H 5.1746 8.2466 109.8857 54.9827 32.1009 172.9529 96 N 5.5431 9.5923 117.4901 52.0185 40.4959 174.1392 97 C 5.0517 9.1055 120.7490 57.7039 32.0218 172.5383 98 L 4.9304 8.3065 122.7165 53.2141 44.9794 174.9433 99 E 4.8786 8.7917 126.7932 54.6585 33.1747 173.9839 100 V 4.3993 8.7231 128.3006 61.9277 33.2060 174.5081 101 I 4.5896 8.5228 129.8828 59.7337 39.1463 175.0129 102 V 4.5284 8.5312 128.1071 62.2064 32.9261 175.2881 103 V 5.1366 8.8373 120.2753 60.0063 36.7468 174.2258 104 K 4.7851 8.3346 120.1687 55.4375 35.9658 176.2228 105 G 4.0720 8.4207 109.9032 46.5385 0.0000 170.4949 106 E 4.9060 8.3183 119.9872 55.7257 30.9261 177.0391 107 A 4.4666 8.5607 127.9703 55.3583 19.2680 179.5084 108 K 3.8881 7.8820 112.1704 59.7573 32.1580 179.6023 109 K 4.0932 8.0841 119.0433 59.1839 32.1882 178.9203 110 I 3.6923 8.3108 120.8697 64.3182 37.0306 178.3442 111 K 4.4864 9.0979 120.7175 59.3748 31.9965 178.5781 112 M 4.0009 7.9613 118.8923 58.7454 32.2016 178.3305 113 I 3.4173 7.6409 119.6813 63.9129 37.1840 178.0951 114 A 3.9977 8.5419 122.0183 55.3524 18.1820 179.3691 115 D 4.2782 8.3921 117.3875 57.6786 40.7867 178.9914 116 K 3.8529 7.7066 117.5069 59.8725 32.0579 178.9517 117 L 4.1391 7.7929 118.5137 57.4706 41.8138 178.7175 118 L 4.2745 7.9992 119.2366 56.7583 42.5822 178.5609 119 S 4.6292 7.8354 114.4433 55.7372 62.7353 172.7723 120 L 4.5101 7.1581 127.9501 53.7226 45.7341 175.6794 121 K 4.3785 8.4308 121.8610 59.5071 29.5690 175.4554 122 G 3.5195 8.3462 120.4406 45.4341 0.0000 171.4201 123 V 4.1533 7.4140 121.5165 62.1803 31.4081 176.6558 124 K 4.3405 8.4231 132.4572 56.1367 31.3445 177.4249 125 H 4.4602 8.9768 114.4183 56.3519 30.2212 173.2579 126 G 4.3971 7.9959 104.6530 45.4749 0.0000 173.6464 127 K 4.5671 8.3058 125.4565 56.2106 33.9190 175.8164 128 L 4.9234 8.3192 120.4141 53.3014 45.2330 177.3845 129 V 4.2706 8.5519 122.0698 60.8708 32.5400 172.2626 130 M 4.5426 8.0639 123.8852 53.3058 34.8162 174.3751 131 T 4.7899 8.0273 115.4826 59.9107 71.6540 172.4619 132 S 5.1905 8.2972 115.7393 56.7114 65.5632 175.3311 *133 T 4.1630 8.3292 114.7296 61.0784 68.9062 174.8382 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 M 8.30 4.43 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 E 8.42 4.32 0.00 1.99 1.76 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 2.20 2.41 0.00 3 L 9.28 4.38 0.00 1.69 1.66 0.94 0.93 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 4 I 8.02 4.17 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 1.34 0.51 1.03 0.00 0.00 5 R 8.36 4.70 0.00 1.72 1.78 0.00 3.23 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 6 F 7.95 4.99 0.00 3.12 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 7 S 8.58 4.76 0.00 3.92 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 8 I 7.85 4.66 1.91 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 0.72 1.13 0.00 0.00 9 S 8.57 4.45 0.00 3.85 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 10 I 8.01 4.60 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 0.90 0.00 0.00 11 P 0.00 4.35 0.00 2.29 2.16 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 12 S 8.80 4.05 0.00 3.88 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 13 K 8.15 3.88 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 14 L 7.79 3.87 0.00 1.77 1.88 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.41 4.10 0.00 1.76 1.78 1.05 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 16 E 8.60 4.00 0.00 2.13 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 0.00 2.32 2.41 0.00 17 K 8.11 4.08 0.00 1.92 1.90 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.64 7.81 18 F 8.13 4.55 0.00 3.06 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 19 D 8.24 4.16 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 20 Q 7.98 3.94 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 21 I 7.47 4.01 2.05 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 1.54 1.13 0.92 0.00 0.00 22 I 7.85 3.43 1.68 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.58 0.71 0.00 0.00 23 E 8.22 3.88 0.00 2.01 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 2.31 2.37 0.00 24 E 8.05 3.79 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 2.33 2.45 0.00 25 I 7.68 3.91 2.23 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 1.02 0.00 0.00 26 G 8.03 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 0.00 0.00 0.00 27 Y 7.65 4.20 0.00 2.80 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 28 E 8.41 4.51 0.00 1.80 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 0.00 2.24 2.19 0.00 29 N 7.62 5.08 0.00 2.80 2.88 0.00 0.00 6.29 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.46 3.93 0.00 1.87 2.07 0.00 3.19 0.00 0.00 3.52 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 31 S 8.07 4.11 0.00 3.87 3.91 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 32 E 8.08 3.93 0.00 2.47 2.38 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 2.48 2.41 0.00 33 A 7.99 3.47 0.59 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 0.00 0.00 34 I 8.49 3.78 1.96 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 1.66 1.48 0.93 0.00 0.00 35 R 8.10 4.00 0.00 2.13 2.05 0.00 3.19 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 1.70 1.97 0.00 36 D 8.22 4.43 0.00 3.06 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 37 L 7.98 4.05 0.00 1.97 1.80 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.76 3.84 2.15 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.90 1.00 0.00 0.00 39 R 8.40 3.98 0.00 2.05 2.05 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 40 D 8.88 4.35 0.00 2.82 2.93 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 41 F 8.70 4.18 0.00 3.26 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.23 3.64 2.07 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 1.71 0.94 1.00 0.00 0.00 43 I 7.32 4.04 2.09 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 1.55 1.55 0.92 0.00 0.00 44 R 8.01 4.06 0.00 1.73 1.76 0.00 3.09 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 45 H 7.65 4.65 0.00 2.50 2.90 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.53 4.10 0.00 2.01 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 2.35 2.68 0.00 47 W 8.14 4.24 0.00 3.58 3.18 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 48 E 7.41 3.37 0.00 1.49 1.49 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 1.47 1.47 0.00 49 V 6.95 4.04 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 0.73 0.00 0.00 0.85 0.00 0.00 50 G 9.71 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 51 N 8.34 4.89 0.00 2.68 2.75 0.00 0.00 7.10 7.53 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 52 E 8.48 4.17 0.00 2.09 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 0.00 2.47 2.35 0.00 53 E 8.69 4.63 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 54 V 9.19 4.54 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 55 A 7.57 4.70 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 56 G 7.84 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 57 T 7.27 4.92 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 1.16 0.00 0.00 58 I 8.76 4.37 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.56 0.91 0.00 0.00 59 T 8.30 4.81 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 1.17 0.00 0.00 60 I 8.45 4.74 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.91 0.95 0.00 0.00 61 V 8.29 4.88 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 1.00 0.00 0.00 0.86 0.00 0.00 62 Y 8.20 5.16 0.00 3.15 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 63 N 8.53 5.61 0.00 2.93 2.83 0.00 0.00 7.41 7.77 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 64 H 9.56 4.58 0.00 3.36 3.66 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.17 4.66 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.46 4.15 0.00 1.75 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 2.33 2.28 0.00 67 G 7.84 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 68 D 8.67 4.73 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 69 V 7.64 3.40 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 0.61 0.00 0.00 0.64 0.00 0.00 70 V 7.68 3.31 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 1.04 0.00 0.00 0.96 0.00 0.00 71 K 7.97 3.83 0.00 1.85 1.92 0.00 1.79 0.00 0.00 2.03 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.84 1.51 7.81 72 A 8.36 3.94 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 73 L 7.91 3.89 0.00 1.85 1.72 0.55 0.52 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 74 L 7.84 4.06 0.00 1.91 1.81 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.37 4.38 0.00 2.76 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 76 L 8.57 4.15 0.00 1.80 1.98 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.95 4.09 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 78 H 8.69 4.21 0.00 3.26 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.38 4.05 0.00 2.14 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 1.85 2.20 0.00 80 Y 8.02 4.65 0.00 3.07 3.07 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 0.00 0.00 0.00 81 L 7.84 4.03 0.00 1.72 1.73 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.11 4.45 0.00 2.70 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 83 E 8.05 4.50 0.00 2.19 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 2.37 2.32 0.00 84 I 7.54 4.54 1.89 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 1.28 0.54 0.95 0.00 0.00 85 I 8.13 4.00 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 1.22 0.45 0.90 0.00 0.00 86 S 7.45 4.74 0.00 3.71 3.73 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 0.00 0.00 0.00 0.00 87 S 8.15 4.87 0.00 3.92 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 88 L 8.57 4.38 0.00 1.80 1.54 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.54 5.15 0.00 3.12 3.04 0.00 5.78 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.79 4.26 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 0.87 0.00 0.00 0.90 0.00 0.00 91 H 8.51 4.96 0.00 3.08 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.76 4.23 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 93 D 7.44 4.56 0.00 2.84 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 94 E 8.92 4.08 0.00 1.88 1.91 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 1.80 2.21 0.00 95 H 8.25 5.17 0.00 3.13 3.50 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 9.59 5.54 0.00 3.02 2.71 0.00 0.00 6.64 6.30 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 97 C 9.11 5.05 0.00 1.61 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.31 4.93 0.00 1.56 1.36 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.79 4.88 0.00 1.83 1.69 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 2.22 2.45 0.00 100 V 8.72 4.40 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 0.86 0.00 0.00 0.90 0.00 0.00 101 I 8.52 4.59 1.85 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 1.13 0.46 1.00 0.00 0.00 102 V 8.53 4.53 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 0.90 0.00 0.00 0.90 0.00 0.00 103 V 8.84 5.14 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 0.66 0.00 0.00 0.86 0.00 0.00 104 K 8.33 4.79 0.00 1.85 1.81 0.00 1.41 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.38 7.81 105 G 8.42 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.32 4.91 0.00 2.09 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 2.39 2.33 0.00 107 A 8.56 4.47 1.54 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 0.00 0.00 108 K 7.88 3.89 0.00 2.05 1.91 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 109 K 8.08 4.09 0.00 1.89 1.98 0.00 1.81 0.00 0.00 2.04 0.00 0.00 3.38 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.58 1.64 7.81 110 I 8.31 3.69 2.30 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 1.53 0.67 0.64 0.00 0.00 111 K 9.10 4.49 0.00 1.85 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.31 1.64 7.81 112 M 7.96 4.00 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 113 I 7.64 3.42 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.28 0.65 0.00 0.00 114 A 8.54 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.39 4.28 0.00 2.90 2.73 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 0.00 0.00 0.00 0.00 116 K 7.71 3.85 0.00 1.81 1.91 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.76 7.81 117 L 7.79 4.14 0.00 1.89 1.70 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.00 4.27 0.00 1.63 1.80 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.84 4.63 0.00 4.02 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 0.00 120 L 7.16 4.51 0.00 1.68 1.52 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.43 4.38 0.00 1.74 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 122 G 8.35 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.41 4.15 2.22 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 0.91 0.00 0.00 1.01 0.00 0.00 124 K 8.42 4.34 0.00 1.95 1.83 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 125 H 8.98 4.46 0.00 3.30 3.49 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.00 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 0.00 0.00 0.00 0.00 127 K 8.31 4.57 0.00 1.69 1.75 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.39 7.81 128 L 8.32 4.92 0.00 1.53 1.54 0.98 0.98 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 0.00 129 V 8.55 4.27 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 0.88 0.00 0.00 0.89 0.00 0.00 130 M 8.06 4.54 0.00 0.51 0.84 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.64 0.00 131 T 8.03 4.79 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 1.15 0.00 0.00 132 S 8.30 5.19 0.00 3.85 3.75 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 *133 T 8.33 4.16 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 * Residues marked with a * may have inaccurate shift predictions.