NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4909 8.1814 116.8089 58.7705 65.2825 175.6113 3 G 3.4139 8.1802 106.6538 47.5665 0.0000 174.4914 4 F 4.0618 9.0673 121.6201 60.2855 39.3110 176.1393 5 L 3.9775 7.9210 117.9953 57.7544 41.4910 179.1545 6 E 4.0236 8.3313 118.5922 59.4521 29.2682 179.4046 7 Q 3.9779 8.4630 118.5686 58.9952 28.6559 179.0684 8 R 3.9661 7.8772 118.6639 59.0130 29.9755 178.8272 9 L 4.1077 8.0720 120.3416 58.1473 42.0449 179.2098 10 G 3.6544 8.3426 105.8834 48.0143 0.0000 174.9096 11 H 4.2339 8.5373 121.0223 59.2013 29.6608 176.6706 12 C 4.1462 8.1590 119.0362 62.6846 31.5044 175.2151 13 L 4.2044 8.1159 119.3053 57.9194 41.4310 179.3996 14 R 4.1881 8.3566 118.2091 59.2714 30.0070 180.2516 15 Q 4.3258 8.3137 116.1398 56.0923 28.4843 178.3978 *17 A 4.2594 7.9795 124.5384 52.2892 20.5575 179.2716 18 E 3.9217 8.3972 115.5452 59.0788 29.5398 177.8785 19 K 4.3540 7.9273 114.2585 55.5715 32.7073 176.4357 20 G 3.7590 7.6421 107.0077 46.4504 0.0000 173.4806 21 L 4.4297 7.9407 121.6995 53.2703 42.6985 175.9006 22 E 4.1756 8.7962 126.1126 58.6349 30.2707 176.8880 23 A 4.9000 7.5303 118.9854 50.3375 22.9874 174.9152 24 L 5.0427 9.1608 123.5163 53.0854 45.7724 174.7626 25 L 5.0333 9.0968 128.7104 53.5543 44.0946 174.8633 26 V 4.6435 9.1032 127.6407 61.4034 33.4373 175.7908 27 T 4.7071 9.2669 115.8889 60.7434 70.0265 173.5620 28 H 4.9573 8.0909 120.1884 53.9928 31.6250 174.7958 29 L 4.1477 8.3957 128.2327 58.1622 41.9603 179.3235 30 T 4.0650 7.9994 114.9489 66.7218 68.1890 175.9150 31 N 4.6224 8.1713 117.8542 55.7064 38.8374 177.5812 32 S 4.1905 8.4466 116.0790 61.5885 63.1038 175.8111 33 Y 4.1372 8.6272 123.7760 60.6137 38.2850 177.3023 34 Y 4.0371 7.9599 119.2306 60.6811 38.8943 177.6773 35 L 4.3141 7.5383 117.9060 55.6758 42.4140 177.8931 36 T 4.2714 7.6710 106.9810 59.9259 70.1821 175.1786 37 G 3.4480 7.6824 108.7784 45.5477 0.0000 172.9554 38 F 4.6544 8.2540 123.0325 56.9815 39.7676 175.7437 39 S 4.2190 8.1942 122.3748 59.0720 62.8169 174.7776 40 G 2.9413 5.8544 111.7178 45.1548 0.0000 174.6894 41 T 3.9576 8.3244 112.8063 63.2840 69.2619 175.1482 42 A 4.2980 7.0085 123.0553 50.7882 17.1013 174.7797 43 A 4.6071 7.9703 120.6662 51.2360 22.2197 175.5586 44 T 4.6191 8.9245 120.1302 62.3912 71.2474 173.6790 45 V 4.8610 8.7660 127.4863 61.0087 34.0671 174.1109 46 L 5.2967 8.9316 129.2544 53.3506 44.9335 174.8472 47 I 5.0851 8.8536 127.1244 59.8379 40.5911 174.8404 48 T 5.0083 8.7347 115.3510 59.6418 72.3241 174.4228 49 A 4.0828 8.8801 123.4675 54.4847 18.4526 178.2146 50 K 4.3014 7.6033 114.0100 57.2523 33.8571 176.5588 51 R 4.4802 8.1229 117.6829 54.7536 31.7052 175.6548 52 R 4.5770 8.0367 119.3878 54.3114 32.9960 173.4359 53 V 4.9270 9.0107 124.1254 60.6699 34.7981 173.7858 54 L 5.0419 9.0943 129.6536 53.4718 44.5711 174.7519 55 I 4.8464 8.9174 128.0769 60.2552 39.4526 175.0723 56 T 5.1027 8.8253 120.4384 61.2254 71.8470 171.2876 57 D 5.4645 8.6540 122.2659 51.1603 42.2372 177.3452 58 S 4.4262 8.7459 114.4134 60.9004 62.6489 176.2393 59 R 3.9424 7.9842 120.7205 58.4823 29.9079 177.2889 60 Y 4.9120 8.4192 114.4052 57.7202 39.7219 177.6997 61 T 3.9389 8.1436 117.1802 66.8524 68.7171 175.8873 62 L 4.0175 7.9416 119.9256 57.8152 41.7532 179.3085 63 L 4.0461 8.0294 119.5228 58.0684 42.1058 178.5376 64 A 4.1180 8.5797 121.1557 55.3104 18.0695 179.8396 65 K 3.9338 8.1505 115.6905 59.3084 32.1475 179.1132 66 A 4.2467 7.8571 120.3141 53.7799 18.5352 178.1068 67 S 4.5418 8.1645 109.5713 57.9115 64.8059 174.1172 68 V 4.1794 7.8650 121.7375 61.0490 31.7796 174.8201 69 E 4.1924 8.7743 127.7914 57.1568 30.0669 177.1964 70 G 3.9365 9.1144 111.0733 45.4130 0.0000 172.5645 71 F 4.8965 7.8861 117.0905 55.3650 41.7394 174.7927 72 D 4.6645 9.1841 123.6090 54.1170 42.1384 175.2877 73 I 4.8049 8.3373 123.8689 59.8657 38.9212 175.0551 74 I 4.5774 8.6842 127.6709 59.3691 40.2976 174.0033 75 E 4.9654 8.5513 127.0604 55.1228 31.1854 174.4950 76 S 4.6689 8.8094 119.5993 57.8627 65.5815 175.0798 77 R 4.3589 8.9321 124.6027 57.2434 31.0817 176.9263 78 T 4.6550 7.8375 108.8364 58.2877 68.3120 172.6934 79 P 4.3233 0.0000 0.0000 66.6626 31.5855 178.5952 80 L 3.9434 7.8940 118.3595 57.1948 41.4933 179.0565 81 K 3.8714 7.8837 119.5377 59.3567 32.0546 179.0142 82 V 3.5433 7.7017 118.0552 65.8834 31.5313 177.8021 83 V 3.5410 8.0632 118.0279 66.1142 31.3615 177.5847 84 A 3.9712 8.1342 120.5064 55.4522 18.0725 179.5220 85 E 3.9053 8.1062 116.8055 59.4162 29.5279 179.4978 86 L 3.9639 8.2292 119.3735 57.8221 41.7152 179.5530 87 L 3.9438 7.8922 118.7830 57.7074 41.6696 179.0269 88 E 3.8723 8.2765 118.9476 59.4925 29.3407 178.6198 89 A 4.0279 7.9440 119.2242 54.7923 18.4599 178.3313 90 D 4.6368 7.7830 113.8571 52.9810 42.0137 176.2750 91 Q 3.4199 7.6522 117.3913 57.0052 26.8419 173.8526 92 I 4.3848 7.8380 117.6424 59.9997 38.9183 175.8345 93 D 5.0114 8.6320 123.3351 53.0078 40.8349 174.7156 94 C 5.1673 7.9301 118.2480 58.2253 34.9050 172.8520 95 L 4.7322 9.1525 127.5751 53.3316 45.2433 175.4558 96 G 4.2978 8.9965 114.1507 46.0439 0.0000 172.4342 97 F 5.5932 8.3737 116.9493 54.6115 42.6410 172.7737 98 E 4.6794 8.9017 118.4922 55.4149 29.8850 177.7779 99 D 4.4096 9.0777 124.2645 55.0600 39.5711 177.4109 100 Q 4.4076 7.7931 117.9281 56.1777 29.2070 176.3667 101 V 3.8064 7.6037 112.3734 61.1416 32.4064 176.7931 102 S 4.5730 8.4614 117.1732 57.9785 65.2309 175.0626 103 F 4.0850 8.8709 124.4314 61.4198 39.1505 177.0231 104 S 4.2661 8.3872 112.3879 61.6790 61.8963 175.9669 105 F 4.0111 8.2565 121.7381 61.3028 39.2021 175.8611 106 Y 3.9133 7.9018 118.2527 60.9246 38.6937 178.0795 107 Q 3.9345 7.8667 118.5591 58.4116 28.7981 179.3030 108 A 4.0997 7.5398 121.0852 52.1953 17.8824 179.3966 *110 Q 3.8266 8.1631 121.6900 57.3833 30.9068 177.7119 111 A 3.7367 7.8864 119.8312 55.0998 18.3614 178.3984 112 E 4.2209 7.7143 112.9364 57.3227 30.5745 176.9118 113 L 4.6812 6.9033 119.3222 53.5114 42.1183 176.5662 114 S 4.1837 7.7183 112.5336 59.7880 63.0792 174.1816 115 G 3.9644 8.8639 114.4962 45.2071 0.0000 172.9340 116 I 4.6058 7.1752 120.5041 59.8321 38.9981 175.6237 117 T 4.2364 8.8053 124.2810 63.2644 69.6877 173.5224 118 L 5.1323 8.6875 126.5143 53.1803 43.7818 175.8726 119 L 4.7876 9.3300 125.1322 52.7125 43.8671 175.9018 120 A 3.4014 8.4325 126.3503 51.3530 19.2617 176.3503 121 Q 4.5723 8.3749 119.9788 54.0147 32.7075 174.8052 122 S 4.8771 8.1698 117.3407 55.9945 63.5898 173.9073 123 G 4.4401 8.7228 118.1007 47.5087 0.0000 174.9301 124 F 3.9562 8.5609 122.0241 61.0930 39.8800 175.5353 125 V 3.8530 7.9142 117.3251 65.8811 31.5706 177.3299 126 E 3.7325 8.2384 117.9329 59.9739 29.0785 178.7309 127 H 4.1988 7.9793 116.2988 58.4307 29.9500 176.8157 128 L 4.0087 7.5679 119.7686 56.9777 41.5026 177.0450 129 R 4.1830 7.5091 122.2937 56.3641 30.0649 176.1489 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.18 4.49 0.00 3.93 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 3 G 8.18 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 9.07 4.06 0.00 3.04 3.03 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 0.00 0.00 0.00 5 L 7.92 3.98 0.00 1.84 1.71 0.86 0.80 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 6 E 8.33 4.02 0.00 2.15 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 2.33 2.51 0.00 7 Q 8.46 3.98 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 8 R 7.88 3.97 0.00 1.80 1.72 0.00 2.67 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.69 0.00 9 L 8.07 4.11 0.00 1.85 1.85 0.93 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 10 G 8.34 3.65 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 0.00 0.00 0.00 11 H 8.54 4.23 0.00 3.33 3.56 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.16 4.15 0.00 3.24 3.26 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 13 L 8.12 4.20 0.00 1.83 1.75 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.36 4.19 0.00 2.06 2.03 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 15 Q 8.31 4.33 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.39 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 *17 A 7.98 4.26 1.39 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 18 E 8.40 3.92 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 19 K 7.93 4.35 0.00 1.96 1.90 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.63 7.81 20 G 7.64 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 21 L 7.94 4.43 0.00 1.55 1.53 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.80 4.18 0.00 1.99 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 2.30 2.30 0.00 23 A 7.53 4.90 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 24 L 9.16 5.04 0.00 1.50 1.41 0.59 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.10 5.03 0.00 1.86 1.76 1.05 0.75 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 26 V 9.10 4.64 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.02 0.00 0.00 27 T 9.27 4.71 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 1.27 0.00 0.00 28 H 8.09 4.96 0.00 3.46 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.40 4.15 0.00 1.73 1.64 0.94 0.94 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 30 T 8.00 4.06 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 31 N 8.17 4.62 0.00 2.95 2.96 0.00 0.00 6.91 8.08 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 32 S 8.45 4.19 0.00 4.08 4.17 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 0.00 0.00 0.00 33 Y 8.63 4.14 0.00 3.08 3.29 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 0.00 0.00 0.00 0.00 34 Y 7.96 4.04 0.00 3.18 3.28 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 35 L 7.54 4.31 0.00 1.67 1.84 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.67 4.27 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 0.39 0.00 0.00 37 G 7.68 3.45 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 0.00 38 F 8.25 4.65 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 39 S 8.19 4.22 0.00 3.74 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 40 G 5.85 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 0.00 0.00 0.00 41 T 8.32 3.96 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 1.17 0.00 0.00 42 A 7.01 4.30 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 4.61 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 44 T 8.92 4.62 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 1.30 0.00 0.00 45 V 8.77 4.86 2.24 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 1.02 0.00 0.00 0.86 0.00 0.00 46 L 8.93 5.30 0.00 1.81 1.50 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.85 5.09 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.92 0.00 0.00 48 T 8.73 5.01 4.33 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 1.20 0.00 0.00 49 A 8.88 4.08 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 50 K 7.60 4.30 0.00 1.74 1.79 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.35 7.81 51 R 8.12 4.48 0.00 1.82 1.78 0.00 3.26 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 52 R 8.04 4.58 0.00 1.28 0.66 0.00 2.92 0.00 0.00 3.02 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.30 0.00 53 V 9.01 4.93 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 0.97 0.00 0.00 0.94 0.00 0.00 54 L 9.09 5.04 0.00 1.53 1.35 0.66 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.92 4.85 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 1.12 0.67 0.99 0.00 0.00 56 T 8.83 5.10 4.05 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 0.00 0.00 1.23 0.00 0.00 57 D 8.65 5.46 0.00 2.88 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 58 S 8.75 4.43 0.00 4.05 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 59 R 7.98 3.94 0.00 1.58 1.51 0.00 2.86 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 60 Y 8.42 4.91 0.00 3.23 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.14 3.94 4.29 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 0.00 0.00 0.00 1.24 0.00 0.00 62 L 7.94 4.02 0.00 1.73 1.75 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.03 4.05 0.00 1.87 2.01 1.01 1.18 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 64 A 8.58 4.12 1.12 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 65 K 8.15 3.93 0.00 1.78 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.61 7.81 66 A 7.86 4.25 1.40 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 67 S 8.16 4.54 0.00 4.05 4.03 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 0.00 0.00 0.00 68 V 7.86 4.18 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 0.71 0.00 0.00 0.95 0.00 0.00 69 E 8.77 4.19 0.00 2.06 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 2.34 2.28 0.00 70 G 9.11 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 71 F 7.89 4.90 0.00 2.81 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 9.18 4.66 0.00 2.58 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 73 I 8.34 4.80 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.85 0.00 0.00 74 I 8.68 4.58 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.92 0.00 0.00 75 E 8.55 4.97 0.00 2.07 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 2.33 2.33 0.00 76 S 8.81 4.67 0.00 3.87 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 77 R 8.93 4.36 0.00 1.86 1.98 0.00 3.40 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 78 T 7.84 4.65 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 79 P 0.00 4.32 0.00 2.34 2.39 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 80 L 7.89 3.94 0.00 1.59 1.61 0.30 0.96 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 81 K 7.88 3.87 0.00 1.81 1.93 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 82 V 7.70 3.54 2.24 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 1.07 0.00 0.00 0.93 0.00 0.00 83 V 8.06 3.54 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 0.95 0.00 0.00 0.98 0.00 0.00 84 A 8.13 3.97 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 85 E 8.11 3.91 0.00 2.15 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 2.31 2.52 0.00 86 L 8.23 3.96 0.00 1.66 1.71 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.89 3.94 0.00 1.69 1.91 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.28 3.87 0.00 2.06 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 0.00 2.30 2.37 0.00 89 A 7.94 4.03 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 90 D 7.78 4.64 0.00 2.66 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 91 Q 7.65 3.42 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 92 I 7.84 4.38 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 1.51 0.70 0.93 0.00 0.00 93 D 8.63 5.01 0.00 2.76 2.83 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 0.00 0.00 0.00 94 C 7.93 5.17 0.00 2.95 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 95 L 9.15 4.73 0.00 1.76 1.48 0.98 1.21 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 96 G 9.00 4.30 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 0.00 97 F 8.37 5.59 0.00 3.26 3.17 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 0.00 0.00 0.00 98 E 8.90 4.68 0.00 1.95 1.86 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 2.39 2.50 0.00 99 D 9.08 4.41 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.79 4.41 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 101 V 7.60 3.81 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 0.76 0.00 0.00 1.41 0.00 0.00 102 S 8.46 4.57 0.00 4.18 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 0.00 103 F 8.87 4.08 0.00 3.26 3.23 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 0.00 104 S 8.39 4.27 0.00 4.03 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 0.00 105 F 8.26 4.01 0.00 3.09 3.28 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 0.00 106 Y 7.90 3.91 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 7.87 3.93 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.20 1.84 0.00 108 A 7.54 4.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 3.83 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 1.85 1.43 0.00 111 A 7.89 3.74 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 0.00 112 E 7.71 4.22 0.00 1.84 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 2.31 2.29 0.00 113 L 6.90 4.68 0.00 1.40 1.50 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.72 4.18 0.00 3.76 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 0.00 115 G 8.86 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 0.00 0.00 0.00 116 I 7.18 4.61 1.88 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 1.46 0.89 0.94 0.00 0.00 117 T 8.81 4.24 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 1.26 0.00 0.00 118 L 8.69 5.13 0.00 1.78 1.66 0.45 0.88 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 0.00 119 L 9.33 4.79 0.00 1.56 1.58 0.95 0.80 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 0.00 120 A 8.43 3.40 0.75 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 0.00 0.00 121 Q 8.37 4.57 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 122 S 8.17 4.88 0.00 4.03 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 0.00 123 G 8.72 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.56 3.96 0.00 3.01 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 0.00 125 V 7.91 3.85 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.14 0.00 0.00 126 E 8.24 3.73 0.00 2.19 1.94 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 2.37 2.38 0.00 127 H 7.98 4.20 0.00 3.18 3.27 0.00 5.95 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.57 4.01 0.00 1.73 1.75 1.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.51 4.18 0.00 1.74 1.81 0.00 3.09 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.11 0.00 * Residues marked with a * may have inaccurate shift predictions.