NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3454 8.2649 123.5819 52.4859 20.1839 176.2194 2 T 4.3076 8.3536 116.6708 63.7938 71.0242 173.2230 3 K 5.3387 8.3688 121.7520 54.5092 36.6448 175.2737 4 A 5.4954 9.2974 125.8388 50.3466 23.2016 174.7669 5 V 5.1120 8.6882 116.8192 61.0349 35.4264 173.3362 6 C 5.1699 9.4692 122.9815 57.9439 35.3813 172.7233 7 V 4.7388 8.4623 125.8649 60.1113 33.1046 174.7288 8 L 4.7497 8.7717 126.6417 54.1113 43.1213 176.2488 9 K 4.6693 8.7049 121.5323 55.4633 37.1444 175.0757 10 G 4.1489 8.1705 108.1403 45.7444 0.0000 172.8472 11 D 4.3358 8.7922 120.4773 55.4333 40.6459 175.7549 12 G 3.7609 8.7702 109.3719 43.5580 0.0000 172.0503 13 P 4.0953 0.0000 0.0000 63.8011 31.8810 176.4621 14 V 4.6353 7.3375 120.5289 62.5546 31.8316 175.0989 15 Q 4.7494 8.2891 124.6639 55.1922 32.6937 173.3951 16 G 4.2317 8.0463 106.0252 46.6224 0.0000 172.1592 17 T 5.2196 8.3505 115.3627 61.8689 73.0065 173.6664 18 I 5.0013 9.1348 126.2921 59.7970 41.0348 174.1952 19 H 5.3494 9.4452 124.3228 54.0271 32.1657 173.2735 20 F 5.5314 9.1943 119.5712 55.7779 43.1790 173.7750 21 E 5.2266 9.2447 120.7602 54.3428 32.7574 174.4609 22 A 4.4175 8.8705 127.3468 52.1850 18.7474 178.0382 23 K 4.3500 8.9949 124.6309 55.2990 32.2420 178.5072 24 G 4.0360 7.9174 117.2808 46.8404 0.0000 171.6655 25 D 4.8771 9.0377 122.1408 53.6937 41.1239 175.2911 26 T 4.8815 7.5484 109.5777 59.8818 72.3980 172.9252 27 V 4.8448 8.9173 122.9612 61.2118 34.0643 174.5302 28 V 4.4140 8.7368 128.9852 62.3243 32.8405 174.7562 29 V 4.8232 9.0785 128.1572 61.7678 34.3441 174.3497 30 T 5.1052 7.3696 120.7200 63.7583 73.6226 174.3145 31 G 4.2764 7.8346 109.9944 45.9712 0.0000 172.0214 32 S 5.0965 8.0907 113.1229 57.2519 66.4368 173.3298 33 I 5.2169 8.7850 122.3128 59.8206 41.0712 174.6101 34 T 5.3907 8.7580 114.6897 59.9653 72.2017 174.4785 35 G 3.9275 9.1269 112.0428 45.5785 0.0000 173.3903 36 L 4.4462 7.6552 119.4007 53.0940 43.1186 176.3041 37 T 4.2493 8.1683 110.7121 60.9474 69.5718 173.9677 38 E 3.9383 8.6316 123.7821 58.3812 30.5296 176.9575 39 G 3.8374 8.8315 110.0804 44.1411 0.0000 171.6945 40 D 5.2233 8.1850 119.2664 53.9508 42.4497 176.0867 41 H 5.1488 9.3063 118.6679 53.7314 33.5066 173.2991 42 G 4.0184 9.3122 110.5356 46.7620 0.0000 172.5572 43 F 5.4529 8.9692 125.2911 57.0096 42.3421 172.8994 44 H 5.3125 9.1753 123.1020 53.9692 33.7406 172.9518 45 V 4.5694 8.5352 121.4120 62.2899 32.4954 174.9013 46 H 4.9922 9.1902 126.0086 54.6295 30.5726 176.4183 47 Q 3.7007 9.2147 122.9688 58.8879 28.9135 176.3709 48 F 4.9603 8.2787 118.3290 54.8785 41.3244 176.9435 49 G 4.1974 8.3842 112.8465 44.5967 0.0000 174.2104 50 D 4.8521 7.9502 117.8748 52.6564 42.8422 174.9989 51 N 5.9262 8.5734 126.6247 52.1414 39.7105 177.3392 52 T 3.8770 8.1979 111.0839 64.1206 69.0262 174.7413 53 Q 4.4905 8.4014 121.3504 55.3317 30.1822 176.5876 54 G 3.9977 7.7863 104.0054 46.2119 0.0000 175.9566 55 C 4.5536 8.6405 118.1480 58.3187 38.2498 175.7870 56 T 3.8387 7.8544 110.6153 64.4618 68.6517 176.0512 57 S 4.4589 8.0328 113.0644 58.7549 63.1823 174.5393 58 A 4.3487 7.3872 124.2704 52.4576 18.8195 179.1804 59 G 3.6658 7.6497 104.1103 44.1313 0.0000 170.4457 60 P 4.7060 0.0000 0.0000 61.9554 34.0572 175.2503 61 H 4.5547 8.3945 116.1048 55.9977 29.8660 175.5222 62 F 4.4937 8.9169 123.6703 57.3388 40.0067 175.3162 63 N 5.0305 7.8016 126.8170 51.7633 38.6165 172.9256 64 P 4.3630 0.0000 0.0000 63.9411 32.1203 177.3429 65 L 4.4496 7.5220 117.5342 53.8022 42.5884 176.3985 66 S 3.5948 7.5729 113.9445 59.5791 60.7155 171.2075 67 K 4.5482 7.8073 118.0629 54.5872 35.1196 177.9013 68 K 4.3232 9.2011 121.8385 56.4213 33.9088 175.5490 69 H 4.4932 8.6795 120.9411 55.6666 31.3344 174.8595 70 G 4.1982 7.3974 111.4561 45.0671 0.0000 172.3151 71 G 3.9354 8.6568 108.9830 43.8008 0.0000 173.1712 72 P 4.4584 0.0000 0.0000 64.6524 31.4960 177.2690 73 K 4.4242 7.9630 117.1062 56.1407 32.2452 175.3742 74 D 4.9489 7.6252 119.4501 52.1445 42.8311 176.0651 75 E 3.9033 8.9764 124.6816 59.0942 29.7248 176.9452 76 E 4.3878 7.9773 122.0387 55.2119 29.0825 175.1857 77 R 4.7387 7.6987 118.1389 54.8986 32.5507 174.8554 78 H 4.5822 9.1393 117.1965 55.5150 29.2952 177.2254 79 V 3.5354 8.2246 122.0627 65.6660 31.5690 176.9955 80 G 3.8698 7.9723 106.9483 45.4802 0.0000 173.0043 81 D 4.8495 7.8994 120.9085 53.4046 39.6786 175.7087 82 L 4.7059 8.2142 122.5853 54.1496 43.2134 178.6445 83 G 4.0890 8.1204 107.6527 46.3578 0.0000 173.8004 84 N 5.7693 8.6833 121.2420 51.2265 42.0755 173.8522 85 V 4.4315 8.7809 120.0607 60.2664 35.0593 174.3585 86 T 5.0521 8.4097 119.7216 61.8238 70.9238 173.2915 87 A 4.6759 9.2200 129.4849 51.0480 20.9710 177.4426 88 D 5.0017 8.7826 120.4260 52.1048 41.5502 176.6505 89 K 3.9757 8.6844 118.9614 59.6249 31.9459 177.3677 90 N 4.6590 8.5433 113.4225 52.8646 39.0954 175.5836 91 G 4.0928 8.4426 107.6778 44.1029 0.0000 172.6615 92 V 4.6517 7.8738 119.9341 61.2009 33.2910 174.2323 93 A 5.2334 8.8436 130.2445 49.4567 21.3370 174.8894 94 I 4.5139 8.2720 123.9849 59.9991 38.2727 175.5670 95 V 3.9056 8.5590 128.3465 62.2384 33.1257 174.8763 96 D 4.9641 8.2789 124.9778 53.7060 42.4570 173.5468 97 I 4.7779 8.8647 124.4601 58.9556 41.4779 174.4183 98 V 4.9080 8.4574 117.9967 59.6338 34.2967 174.5612 99 D 4.8787 9.0799 124.1871 52.1718 43.9213 174.8951 100 P 4.3812 0.0000 0.0000 65.3871 32.0352 177.7282 101 L 4.0856 8.1317 119.0284 57.7685 42.2797 177.2385 102 I 4.0032 7.8236 110.4157 61.0609 38.2507 174.5243 103 S 4.6857 8.2191 114.3904 57.2340 65.4806 173.9700 104 L 4.6228 8.3870 120.6842 54.6068 43.0071 176.4539 105 S 4.6576 7.7453 113.5172 57.3053 67.8460 175.6941 106 G 3.5993 8.4050 109.1995 46.7705 0.0000 175.7318 107 E 4.1839 8.5980 122.1982 54.8242 28.9257 175.3074 *109 S 4.1933 8.2078 118.8473 58.4293 63.4654 173.4026 110 I 3.9231 8.0892 119.5842 60.3428 37.9877 175.4560 111 I 3.7309 6.8709 122.7456 62.9231 37.4201 176.3664 112 G 3.8069 9.5149 113.5162 45.4854 0.0000 172.7121 113 R 5.0823 7.4742 119.3129 54.4914 33.9221 174.4075 114 T 4.9924 7.9719 115.3135 62.3307 71.5436 173.5683 115 M 4.6655 8.7857 126.5589 54.8263 33.9685 174.8783 116 V 5.0048 8.9207 125.9894 60.9964 35.0547 174.1786 117 V 4.9149 8.6375 127.5205 60.7490 33.3105 175.1496 118 H 5.2079 9.3653 122.5382 54.2244 30.6499 175.1202 119 E 4.1330 9.0696 121.1417 59.2873 29.8826 176.8682 120 K 4.6995 8.6580 117.8270 53.6314 35.6677 173.7869 121 P 4.8250 0.0000 0.0000 62.8570 32.7512 175.0898 122 D 5.0161 9.8463 123.3455 52.9945 41.7265 175.8868 123 D 4.6763 9.2249 124.9261 52.7180 39.9179 176.4433 124 L 3.2996 9.8148 119.3067 56.3224 39.6928 175.8669 125 G 4.0819 8.1974 102.7027 46.9034 0.0000 174.8723 126 R 4.5740 8.0851 115.9744 55.4218 31.1243 176.0670 127 G 3.9604 8.1089 108.1152 44.4682 0.0000 174.4820 128 G 3.7843 8.4673 106.7170 45.7793 0.0000 173.3444 129 N 4.8772 7.5897 116.8701 50.7656 39.9125 174.8052 130 E 4.0821 8.5147 116.9849 59.3319 29.8399 179.3641 131 E 3.9814 8.1355 118.7757 58.7933 29.5099 178.4351 132 S 4.1232 8.1328 113.6712 61.3380 62.3721 175.3477 133 T 4.7464 7.6260 110.0275 61.8862 68.5402 175.1748 134 K 4.3085 7.9960 118.8614 57.8469 34.1729 177.2383 135 T 4.0253 7.3187 108.1177 60.6533 70.1858 175.3761 136 G 4.0063 7.9645 110.3868 45.1482 0.0000 173.2090 137 N 4.2372 7.5728 113.7381 54.0295 36.7156 175.1514 138 A 4.4614 7.4261 119.0921 51.6365 19.7559 179.7478 139 G 3.8037 7.9087 104.0261 44.9066 0.0000 173.0870 140 S 4.4637 8.0548 114.3643 58.4481 65.0045 173.8521 141 R 4.6249 8.3463 119.2571 54.9615 29.7854 176.6245 142 L 4.3117 8.5876 125.4267 57.0791 42.6415 177.5397 143 A 4.7280 7.7748 116.9511 51.6228 22.3314 174.1274 144 C 5.6291 8.2122 114.0299 55.9683 46.8212 172.8386 145 G 4.7969 8.1254 104.2030 45.9905 0.0000 172.5324 146 V 4.4069 8.2948 121.8716 62.3899 32.6851 175.6399 147 I 4.1209 9.1847 129.7087 61.2153 37.9151 175.5302 148 G 4.3512 8.7512 114.4142 44.1475 0.0000 171.8450 149 I 4.6016 8.1694 120.1027 60.9345 38.0838 175.5325 150 A 4.7632 9.1522 125.6914 49.6276 22.7465 176.3284 151 K 3.9108 8.5724 119.0021 57.2952 32.7761 174.4800 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 A 8.26 4.35 1.26 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 0.00 0.00 0.00 2 T 8.35 4.31 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 1.23 0.00 0.00 3 K 8.37 5.34 0.00 1.69 1.71 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.45 7.81 4 A 9.30 5.50 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 5 V 8.69 5.11 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 0.74 0.00 0.00 0.95 0.00 0.00 6 C 9.47 5.17 0.00 3.18 2.97 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 7 V 8.46 4.74 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 0.73 0.00 0.00 0.94 0.00 0.00 8 L 8.77 4.75 0.00 1.66 1.66 1.06 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.70 4.67 0.00 1.67 1.64 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 10 G 8.17 4.15 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 0.00 0.00 0.00 11 D 8.79 4.34 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 12 G 8.77 3.76 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 0.00 0.00 0.00 13 P 0.00 4.10 0.00 2.16 2.18 0.00 3.50 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 14 V 7.34 4.64 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 0.65 0.00 0.00 0.91 0.00 0.00 15 Q 8.29 4.75 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 16 G 8.05 4.23 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 0.00 17 T 8.35 5.22 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 1.13 0.00 0.00 18 I 9.13 5.00 1.89 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 1.29 1.26 0.53 0.00 0.00 19 H 9.45 5.35 0.00 2.96 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.19 5.53 0.00 2.96 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 21 E 9.24 5.23 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 22 A 8.87 4.42 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 23 K 8.99 4.35 0.00 1.90 1.77 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.42 7.81 24 G 7.92 4.04 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 0.00 0.00 0.00 25 D 9.04 4.88 0.00 2.65 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 26 T 7.55 4.88 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 1.23 0.00 0.00 27 V 8.92 4.84 2.19 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 1.23 0.00 0.00 1.02 0.00 0.00 28 V 8.74 4.41 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 0.86 0.00 0.00 0.96 0.00 0.00 29 V 9.08 4.82 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 0.79 0.00 0.00 1.13 0.00 0.00 30 T 7.37 5.11 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 1.18 0.00 0.00 31 G 7.83 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 0.00 0.00 0.00 0.00 32 S 8.09 5.10 0.00 3.82 3.88 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 33 I 8.78 5.22 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.87 0.00 0.00 34 T 8.76 5.39 4.23 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 1.19 0.00 0.00 35 G 9.13 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 0.00 0.00 0.00 36 L 7.66 4.45 0.00 1.83 1.57 0.86 0.38 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 37 T 8.17 4.25 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 1.24 0.00 0.00 38 E 8.63 3.94 0.00 1.94 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 2.30 2.34 0.00 39 G 8.83 3.84 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 0.00 0.00 0.00 40 D 8.19 5.22 0.00 2.53 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 41 H 9.31 5.15 0.00 2.99 3.33 0.00 5.62 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 42 G 9.31 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 43 F 8.97 5.45 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 44 H 9.18 5.31 0.00 3.18 2.90 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.54 4.57 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 0.96 0.00 0.00 0.87 0.00 0.00 46 H 9.19 4.99 0.00 3.07 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 9.21 3.70 0.00 1.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.61 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 48 F 8.28 4.96 0.00 3.10 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 49 G 8.38 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.95 4.85 0.00 2.63 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 51 N 8.57 5.93 0.00 2.78 2.74 0.00 0.00 7.37 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.20 3.88 4.23 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 1.20 0.00 0.00 53 Q 8.40 4.49 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 54 G 7.79 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 8.64 4.55 0.00 2.98 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 56 T 7.85 3.84 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 1.23 0.00 0.00 57 S 8.03 4.46 0.00 4.13 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 58 A 7.39 4.35 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 59 G 7.65 3.67 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 0.00 0.00 0.00 60 P 0.00 4.71 0.00 2.04 2.20 0.00 3.64 0.00 0.00 3.83 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 61 H 8.39 4.55 0.00 2.69 3.09 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.92 4.49 0.00 3.09 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 63 N 7.80 5.03 0.00 2.54 2.48 0.00 0.00 6.91 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 64 P 0.00 4.36 0.00 2.06 1.90 0.00 2.99 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 1.58 1.18 0.00 65 L 7.52 4.45 0.00 1.54 1.63 0.87 0.92 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 66 S 7.57 3.59 0.00 3.93 3.84 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 67 K 7.81 4.55 0.00 1.77 2.08 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.49 7.81 68 K 9.20 4.32 0.00 1.79 1.72 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 69 H 8.68 4.49 0.00 3.23 3.06 0.00 5.80 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 70 G 7.40 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.66 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 0.00 0.00 0.00 72 P 0.00 4.46 0.00 2.22 2.35 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 73 K 7.96 4.42 0.00 1.74 1.86 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 74 D 7.63 4.95 0.00 2.92 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 75 E 8.98 3.90 0.00 1.89 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 2.28 2.39 0.00 76 E 7.98 4.39 0.00 2.00 1.85 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 2.32 2.20 0.00 77 R 7.70 4.74 0.00 1.79 1.87 0.00 2.85 0.00 0.00 3.86 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 78 H 9.14 4.58 0.00 3.41 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.22 3.54 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.75 0.00 0.00 80 G 7.97 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 0.00 0.00 0.00 81 D 7.90 4.85 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.21 4.71 0.00 1.84 1.77 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.12 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 0.00 0.00 0.00 0.00 84 N 8.68 5.77 0.00 2.61 2.72 0.00 0.00 6.51 7.68 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 85 V 8.78 4.43 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 0.72 0.00 0.00 0.46 0.00 0.00 86 T 8.41 5.05 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 1.23 0.00 0.00 87 A 9.22 4.68 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 88 D 8.78 5.00 0.00 2.87 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 89 K 8.68 3.98 0.00 1.73 1.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.48 7.81 90 N 8.54 4.66 0.00 2.83 2.81 0.00 0.00 7.23 7.18 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 91 G 8.44 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 0.00 0.00 0.00 0.00 92 V 7.87 4.65 2.34 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 0.98 0.00 0.00 0.92 0.00 0.00 93 A 8.84 5.23 1.15 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 0.00 0.00 94 I 8.27 4.51 1.83 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 1.19 0.88 0.87 0.00 0.00 95 V 8.56 3.91 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 0.79 0.00 0.00 0.68 0.00 0.00 96 D 8.28 4.96 0.00 2.63 2.49 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 97 I 8.86 4.78 1.97 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 1.28 0.86 0.99 0.00 0.00 98 V 8.46 4.91 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 0.70 0.00 0.00 0.95 0.00 0.00 99 D 9.08 4.88 0.00 2.80 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 0.00 100 P 0.00 4.38 0.00 2.09 2.09 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 101 L 8.13 4.09 0.00 1.58 1.79 0.90 0.98 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 0.00 102 I 7.82 4.00 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 1.00 0.00 0.00 103 S 8.22 4.69 0.00 3.83 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 0.00 104 L 8.39 4.62 0.00 1.64 1.63 1.00 0.65 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 0.00 105 S 7.75 4.66 0.00 3.81 3.71 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 0.00 0.00 0.00 0.00 106 G 8.41 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 0.00 107 E 8.60 4.18 0.00 2.13 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 2.25 2.30 0.00 *109 S 8.21 4.19 0.00 4.02 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 0.00 110 I 8.09 3.92 1.60 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.16 0.86 0.00 0.00 111 I 6.87 3.73 1.78 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 1.13 0.74 0.85 0.00 0.00 112 G 9.51 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 0.00 113 R 7.47 5.08 0.00 1.59 1.83 0.00 2.21 0.00 0.00 2.61 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.22 0.00 114 T 7.97 4.99 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 1.26 0.00 0.00 115 M 8.79 4.67 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.60 0.00 116 V 8.92 5.00 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 0.70 0.00 0.00 0.73 0.00 0.00 117 V 8.64 4.91 2.25 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 0.73 0.00 0.00 0.95 0.00 0.00 118 H 9.37 5.21 0.00 3.23 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.07 4.13 0.00 2.05 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 2.37 2.34 0.00 120 K 8.66 4.70 0.00 1.76 1.72 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 121 P 0.00 4.82 0.00 2.08 1.96 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 122 D 9.85 5.02 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.22 4.68 0.00 2.95 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 0.00 124 L 9.81 3.30 0.00 1.83 1.76 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.20 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 0.00 126 R 8.09 4.57 0.00 1.89 1.89 0.00 3.17 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 127 G 8.11 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 0.00 128 G 8.47 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 7.59 4.88 0.00 2.81 2.84 0.00 0.00 6.12 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 0.00 130 E 8.51 4.08 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 131 E 8.14 3.98 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 132 S 8.13 4.12 0.00 4.18 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 0.00 133 T 7.63 4.75 4.23 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 1.21 0.00 0.00 134 K 8.00 4.31 0.00 1.94 1.78 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.36 1.32 7.81 135 T 7.32 4.03 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 1.13 0.00 0.00 136 G 7.96 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 0.00 137 N 7.57 4.24 0.00 3.00 2.90 0.00 0.00 6.84 7.01 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 0.00 138 A 7.43 4.46 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 0.00 139 G 7.91 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 0.00 140 S 8.05 4.46 0.00 3.97 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 0.00 141 R 8.35 4.62 0.00 1.69 1.87 0.00 3.19 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.67 0.00 142 L 8.59 4.31 0.00 1.53 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.77 4.73 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 0.00 144 C 8.21 5.63 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 0.00 145 G 8.13 4.80 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 0.00 146 V 8.29 4.41 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 0.84 0.00 0.00 0.96 0.00 0.00 147 I 9.18 4.12 1.91 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.55 0.55 0.00 0.00 148 G 8.75 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 0.00 0.00 0.00 0.00 149 I 8.17 4.60 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 1.26 0.56 0.91 0.00 0.00 150 A 9.15 4.76 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 0.00 151 K 8.57 3.91 0.00 1.83 1.76 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.20 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.