NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0582 7.9127 120.6389 62.8351 33.4796 173.5928 4 V 4.5277 8.3953 128.4636 61.1597 33.6786 172.5509 5 T 4.7927 9.3409 127.2525 62.7387 70.2796 173.8961 6 Q 5.2270 8.5381 124.1162 53.6066 32.6051 175.3607 7 E 4.0875 8.7908 120.8604 56.7930 30.4902 178.0357 8 S 4.2881 8.8875 118.0957 61.0851 63.2949 173.4658 9 A 5.1929 7.6983 118.2751 50.5885 22.1542 175.0737 10 L 4.8651 9.1069 119.7370 53.3150 46.5518 175.5843 11 T 5.0249 8.5287 118.0174 62.2525 71.5139 173.0622 12 T 4.7541 8.8076 119.5969 60.7064 71.8919 171.9890 13 S 5.5030 8.1646 116.0770 54.4795 67.4671 172.1613 14 P 4.4959 0.0000 0.0000 64.6661 31.2633 175.8339 15 G 4.0987 9.4762 112.8503 45.5975 0.0000 173.4502 16 E 4.4982 7.8075 118.5878 56.7724 31.0812 175.9619 17 T 5.1102 8.2634 116.7880 61.8909 71.0466 174.6185 18 V 4.5049 8.6049 124.8711 60.1416 35.0765 174.4905 19 T 4.9139 8.4440 119.0041 61.7851 71.5040 173.1110 20 L 4.8944 9.0807 126.9321 53.1472 44.4733 175.6913 21 T 5.3068 9.3382 112.5661 60.1798 72.1827 172.9007 22 C 4.9034 9.5333 122.1871 55.1544 41.6437 172.5655 23 R 5.0516 9.1493 127.7053 54.8155 32.2139 174.6295 24 S 5.1842 8.4876 118.9813 56.5818 64.1639 174.0634 25 S 4.4394 8.7238 121.8592 61.1808 63.0772 175.8603 26 T 3.8559 7.6682 108.9291 63.8629 69.0083 174.7234 *28 A 4.3088 7.6747 122.3319 51.3770 19.6242 176.7578 29 V 4.0855 8.5090 123.1340 63.1679 32.5385 175.1747 30 T 4.7985 9.7036 117.2423 59.8025 72.5016 174.8148 31 T 3.7563 8.5238 111.3177 64.6006 68.6449 176.4638 32 S 3.8122 7.2581 114.3903 60.4217 63.1002 175.0311 33 N 4.6148 8.2523 118.2524 53.3872 39.0157 174.3660 34 Y 3.5947 7.4530 115.7415 57.9602 36.1789 171.5152 35 A 4.1796 7.7118 120.0172 53.1195 19.8541 177.7949 36 N 5.5089 8.9957 119.3933 51.2404 42.2821 173.8359 37 W 5.3156 9.6966 121.6680 55.0043 32.9223 174.5787 38 V 4.9577 9.7982 125.0227 61.1281 34.5763 173.6992 39 Q 4.5994 9.5754 129.2654 54.1688 31.3747 173.4837 40 E 4.4340 9.0381 128.2764 54.3576 31.7676 175.2346 41 K 4.6891 8.5802 127.0216 53.9841 34.9595 174.5861 42 P 4.4289 0.0000 0.0000 64.3420 31.5792 176.5649 43 D 4.8012 8.7199 122.4617 54.5858 38.1288 174.5108 44 H 4.3160 7.9624 112.4591 56.9918 26.3831 175.7876 45 L 4.4583 7.5845 120.2790 54.0824 41.4093 176.2169 46 F 4.8773 8.6858 122.1215 57.0163 40.7099 175.6778 47 T 4.6512 8.8497 118.3669 62.1794 73.1666 173.4683 48 G 4.0233 8.9347 114.3615 46.6954 0.0000 172.0415 49 L 4.7549 9.2879 123.3169 55.7918 44.2499 176.5228 50 I 5.2908 7.8007 117.7760 59.9439 42.0458 174.0825 51 G 4.3371 9.5968 111.5823 44.9117 0.0000 172.3319 52 G 4.3533 9.5507 105.7631 47.0505 0.0000 175.0826 53 T 4.0167 8.8449 121.4455 63.1454 67.4282 173.6920 54 N 5.0530 7.7511 111.7490 51.9196 39.0200 173.5334 55 N 4.6568 8.4806 118.8017 53.2826 39.5359 174.5606 56 R 4.8132 8.6230 123.2479 55.3918 31.3800 176.5492 57 A 4.3555 8.7553 124.9560 50.7761 20.0785 175.2623 58 P 4.2888 0.0000 0.0000 64.0198 31.8408 177.1890 59 G 3.9868 8.9011 111.0468 45.4197 0.0000 173.6570 60 V 3.6332 7.1988 119.2424 62.1217 31.6401 173.8872 61 P 4.3709 0.0000 0.0000 62.8404 31.8007 177.4376 62 A 4.1477 8.6060 123.8626 55.0304 18.7503 179.1739 63 R 3.9892 8.0166 112.1517 58.4105 30.4842 176.4370 64 F 5.2020 7.8613 119.4565 56.2720 40.2035 175.6753 65 S 4.6298 9.2373 118.4134 56.7281 66.2499 173.5644 66 G 4.3903 8.6638 110.3470 44.3657 0.0000 172.3733 67 S 4.7653 8.1704 113.5848 58.0645 67.1438 174.1904 68 L 5.2318 8.6752 118.9513 53.2359 44.3405 176.7309 69 I 4.4078 8.8138 124.0202 60.0601 40.2504 175.5730 70 G 3.6992 8.3168 116.7437 47.3639 0.0000 173.0518 71 N 4.9314 8.6427 119.4287 52.9459 39.0648 173.9634 72 K 5.0840 8.0897 116.5830 54.5272 36.5211 175.3536 73 A 5.0830 8.7285 123.9328 51.2935 20.8775 176.3706 74 A 5.2670 9.5734 121.7274 50.1320 23.3572 174.8718 75 L 4.4142 8.5445 122.9523 53.3336 44.2966 175.2430 76 T 4.8646 8.9252 123.4423 61.7380 71.7491 173.6953 77 I 4.4567 8.7386 126.2497 59.8881 39.8203 174.9040 78 T 4.2728 8.4181 125.5913 62.6343 68.9000 175.1700 79 G 3.8151 8.4285 116.0953 44.7985 0.0000 172.7151 80 A 3.9847 8.3909 123.0753 52.5913 19.6569 177.4012 81 Q 4.8264 10.1460 122.3226 54.2108 31.2292 176.9275 82 T 3.8386 8.6351 117.6604 67.0266 68.5108 175.9007 83 E 4.2807 8.0748 115.7738 57.7505 29.8006 176.9156 84 D 4.7600 8.5362 119.4731 55.2655 41.3435 176.0537 85 E 4.2622 8.0903 121.2790 56.8558 30.2115 175.9036 86 A 4.2370 8.2449 127.3305 52.2368 24.2118 174.0388 87 I 4.7536 7.6107 118.5742 60.0079 39.7764 175.0478 88 Y 5.0431 8.8905 124.2828 56.3084 40.7927 174.4706 89 F 5.4746 9.7371 124.1682 55.9791 41.5628 172.7756 90 C 4.8992 10.0926 118.6236 53.8176 44.5309 172.5565 91 A 4.9920 8.3702 121.2723 50.4640 22.3073 174.9580 92 L 4.7743 8.8836 122.6397 52.5014 44.5108 175.3353 93 W 4.8171 8.8255 133.4146 56.4672 32.3597 175.2350 94 Y 4.5047 8.2917 126.3061 57.4063 36.8785 175.2394 95 S 3.8756 8.0847 112.8379 59.1274 61.8412 171.6294 96 N 4.7446 7.0718 117.1586 52.9662 42.5869 173.8185 97 H 4.5523 6.4957 113.2520 53.3791 32.6328 171.7245 98 L 5.0975 8.3549 120.5385 53.5127 43.9863 175.5226 99 V 4.5378 8.9007 124.7975 61.1862 34.7674 174.2550 100 F 5.0543 8.9533 125.7202 56.3006 40.9042 176.0125 101 G 4.5060 9.3487 110.4872 45.3791 0.0000 174.3398 102 G 3.9389 8.9037 106.9195 45.4081 0.0000 172.7099 103 G 3.4912 7.9993 110.5544 45.2626 0.0000 173.2535 104 T 4.9384 8.4792 118.4540 60.4292 71.3459 173.4695 105 K 4.4737 9.0095 129.1363 55.9080 33.3893 175.2005 106 L 4.9967 9.3419 131.6030 53.9627 43.9639 175.0178 107 T 4.7602 8.7770 124.0427 62.2808 70.4301 174.2313 108 V 4.5998 9.2130 128.2877 61.2890 31.6609 175.3223 109 L 4.3212 8.6886 128.7977 54.7731 42.0956 175.8101 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 V 7.91 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 0.92 0.00 0.00 0.91 0.00 0.00 4 V 8.40 4.53 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 1.00 0.00 0.00 1.07 0.00 0.00 5 T 9.34 4.79 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 1.25 0.00 0.00 6 Q 8.54 5.23 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 7 E 8.79 4.09 0.00 2.12 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 2.43 2.40 0.00 8 S 8.89 4.29 0.00 3.93 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 9 A 7.70 5.19 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 10 L 9.11 4.87 0.00 1.54 1.48 0.90 0.77 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 11 T 8.53 5.02 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 12 T 8.81 4.75 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 1.23 0.00 0.00 13 S 8.16 5.50 0.00 3.74 3.66 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 14 P 0.00 4.50 0.00 1.91 1.99 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 15 G 9.48 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 16 E 7.81 4.50 0.00 2.02 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 2.40 2.42 0.00 17 T 8.26 5.11 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 1.14 0.00 0.00 18 V 8.60 4.50 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 0.65 0.00 0.00 0.86 0.00 0.00 19 T 8.44 4.91 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 1.14 0.00 0.00 20 L 9.08 4.89 0.00 1.23 1.60 0.69 -0.30 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 21 T 9.34 5.31 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 1.26 0.00 0.00 22 C 9.53 4.90 0.00 2.89 3.13 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 0.00 0.00 0.00 23 R 9.15 5.05 0.00 1.99 1.90 0.00 3.17 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 24 S 8.49 5.18 0.00 3.98 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 25 S 8.72 4.44 0.00 3.92 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 26 T 7.67 3.86 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 1.03 0.00 0.00 *28 A 7.67 4.31 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 29 V 8.51 4.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.00 0.00 0.00 30 T 9.70 4.80 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 1.24 0.00 0.00 31 T 8.52 3.76 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 32 S 7.26 3.81 0.00 4.07 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 33 N 8.25 4.61 0.00 2.86 2.73 0.00 0.00 7.41 7.23 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 34 Y 7.45 3.59 0.00 2.97 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 35 A 7.71 4.18 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.00 5.51 0.00 2.52 2.71 0.00 0.00 6.44 8.49 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 37 W 9.70 5.32 0.00 3.31 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 9.80 4.96 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 1.20 0.00 0.00 1.19 0.00 0.00 39 Q 9.58 4.60 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 1.87 1.41 0.00 40 E 9.04 4.43 0.00 1.16 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 1.84 1.47 0.00 41 K 8.58 4.69 0.00 1.61 1.64 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.48 7.81 42 P 0.00 4.43 0.00 2.00 1.95 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 43 D 8.72 4.80 0.00 2.70 3.13 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 0.00 0.00 0.00 44 H 7.96 4.32 0.00 3.35 3.49 0.00 5.71 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.58 4.46 0.00 1.57 1.62 1.00 0.93 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 46 F 8.69 4.88 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.85 4.65 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 1.20 0.00 0.00 48 G 8.93 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 49 L 9.29 4.75 0.00 1.83 1.58 0.91 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.80 5.29 2.13 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 1.06 1.19 0.00 0.00 51 G 9.60 4.34 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 0.00 52 G 9.55 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 53 T 8.84 4.02 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 1.25 0.00 0.00 54 N 7.75 5.05 0.00 2.79 2.93 0.00 0.00 6.05 8.04 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 55 N 8.48 4.66 0.00 2.99 2.83 0.00 0.00 6.95 7.25 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 56 R 8.62 4.81 0.00 1.74 1.89 0.00 3.52 0.00 0.00 3.60 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 57 A 8.76 4.36 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 58 P 0.00 4.29 0.00 2.07 2.01 0.00 3.71 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 2.03 2.09 0.00 59 G 8.90 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 0.00 0.00 0.00 60 V 7.20 3.63 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 0.76 0.00 0.00 0.98 0.00 0.00 61 P 0.00 4.37 0.00 2.47 2.08 0.00 3.85 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 62 A 8.61 4.15 1.30 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 0.00 0.00 63 R 8.02 3.99 0.00 1.95 2.08 0.00 2.85 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.00 64 F 7.86 5.20 0.00 3.07 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 65 S 9.24 4.63 0.00 3.80 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 66 G 8.66 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.17 4.77 0.00 3.86 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 68 L 8.68 5.23 0.00 1.52 1.60 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.81 4.41 1.89 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 1.23 1.04 0.92 0.00 0.00 70 G 8.32 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 71 N 8.64 4.93 0.00 2.78 2.83 0.00 0.00 6.61 7.67 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 72 K 8.09 5.08 0.00 1.88 1.72 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.39 7.81 73 A 8.73 5.08 1.38 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 0.00 0.00 0.00 0.00 0.00 74 A 9.57 5.27 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 75 L 8.54 4.41 0.00 0.27 0.13 0.53 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.93 4.86 4.13 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 0.00 0.00 1.15 0.00 0.00 77 I 8.74 4.46 1.63 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.67 0.38 0.00 0.00 78 T 8.42 4.27 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 1.14 0.00 0.00 79 G 8.43 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 80 A 8.39 3.98 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 81 Q 10.15 4.83 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.55 0.00 82 T 8.64 3.84 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 83 E 8.07 4.28 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 84 D 8.54 4.76 0.00 2.85 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 85 E 8.09 4.26 0.00 2.12 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 2.34 2.58 0.00 86 A 8.24 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.61 4.75 1.66 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 1.13 0.83 0.33 0.00 0.00 88 Y 8.89 5.04 0.00 2.99 3.14 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 89 F 9.74 5.47 0.00 3.15 3.19 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 90 C 10.09 4.90 0.00 1.56 1.38 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 0.00 0.00 0.00 91 A 8.37 4.99 0.53 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.88 4.77 0.00 1.34 1.07 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 93 W 8.83 4.82 0.00 3.38 3.13 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 0.00 0.00 0.00 94 Y 8.29 4.50 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.08 3.88 0.00 3.94 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 96 N 7.07 4.74 0.00 2.72 2.90 0.00 0.00 6.65 7.51 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 97 H 6.50 4.55 0.00 3.03 3.18 0.00 5.43 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.35 5.10 0.00 1.86 1.55 0.66 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.90 4.54 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.90 0.00 0.00 100 F 8.95 5.05 0.00 2.93 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 0.00 101 G 9.35 4.51 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 0.00 0.00 0.00 102 G 8.90 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 0.00 103 G 8.00 3.49 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 0.00 104 T 8.48 4.94 4.38 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 0.00 0.00 1.26 0.00 0.00 105 K 9.01 4.47 0.00 1.87 1.72 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 106 L 9.34 5.00 0.00 1.85 1.94 0.98 0.62 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 0.00 107 T 8.78 4.76 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 1.25 0.00 0.00 108 V 9.21 4.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.04 0.00 0.00 109 L 8.69 4.32 0.00 1.81 1.48 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.