NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5466 8.1933 115.4291 58.6419 65.5527 175.9980 3 H 4.0513 8.4900 118.4866 58.3154 28.6204 176.1050 4 K 4.2966 8.7986 123.0027 58.9772 32.3998 178.7958 5 A 4.0443 8.0705 120.5537 54.9426 18.3614 179.3104 6 W 4.0036 8.5231 127.0945 60.6843 30.7923 178.3142 7 Q 3.8723 8.5595 118.2784 58.7478 27.9027 178.4202 8 N 4.3536 8.0596 116.5795 56.2215 38.7041 176.8950 9 A 4.0366 7.5815 120.7954 55.4683 18.7440 178.8695 10 H 4.0665 7.7700 116.4101 58.9579 29.7880 177.8508 11 A 3.8137 7.8388 119.6247 52.8014 17.9299 178.4820 *13 Y 4.5359 7.7880 122.0752 59.2161 40.7878 177.2632 14 E 3.5014 7.9030 118.9925 59.0827 29.3410 179.0105 15 N 4.0596 7.8656 117.1956 56.6048 38.9879 176.8182 16 D 4.6742 8.1475 120.9288 56.5336 40.9248 178.4743 17 A 3.8673 7.7073 121.5817 55.2724 18.4335 179.5124 18 C 4.0327 7.8117 114.6292 62.6245 28.1032 176.1734 19 A 3.9659 7.8964 122.4755 55.0217 18.0856 179.5012 20 K 3.8081 8.1334 117.8910 59.7630 32.0766 178.8908 21 A 4.0789 7.8729 119.4489 54.2271 18.3456 178.4907 22 L 4.4900 7.5229 114.7612 53.6138 42.4747 176.5280 23 G 3.8424 7.7859 106.8052 46.7111 0.0000 173.6971 24 I 4.6269 8.1640 120.1673 59.5179 38.9757 175.2731 25 D 5.0391 8.7918 124.2340 52.3786 44.3078 175.1932 26 I 4.0625 8.3122 123.8458 61.4722 37.1767 175.5819 27 I 4.2196 8.8041 128.3104 62.9262 38.7298 175.6241 28 S 4.3103 7.5693 113.8985 57.3566 65.5433 171.7874 *30 D 3.9050 8.1260 120.3139 53.3227 41.5770 172.6328 31 E 3.7509 8.3999 120.1067 58.3831 29.3870 177.5263 32 G 4.0995 10.4389 115.3924 45.2761 0.0000 171.6222 33 F 5.6375 7.6465 112.6015 55.7630 41.1784 173.6705 34 A 4.9001 9.1830 121.2903 50.5834 23.2512 175.2370 35 V 4.8004 9.4788 121.5656 61.3385 34.2118 174.9681 36 V 4.9330 8.7756 120.5444 59.9534 35.9623 174.3725 37 T 5.5827 8.7205 116.0930 59.6354 71.5197 172.1029 *39 T 4.5394 8.2960 117.6091 63.2008 69.6724 174.5248 40 V 3.8029 8.8231 127.4799 63.1225 32.4357 175.1257 41 T 4.8372 8.4335 121.0070 59.6556 70.0017 174.4407 42 A 4.2710 8.6019 127.6231 55.4437 18.4241 180.3275 43 Q 4.1841 7.2535 115.6814 55.6076 27.8327 176.4307 *45 L 4.3555 7.8098 116.5828 54.6916 43.2801 177.3333 46 N 4.8006 8.9090 120.5152 51.8427 39.7303 175.6087 47 G 3.5712 8.6163 105.6042 49.3181 0.0000 173.8441 48 H 4.7218 8.8191 116.5642 55.3261 28.5372 175.4616 49 Q 3.8439 8.1263 116.7691 57.0107 26.8898 173.4434 50 S 4.8620 7.5324 110.4847 56.0088 66.9029 172.6703 51 C 4.5125 8.8510 122.5629 60.0986 31.7931 173.2041 52 H 4.3920 9.0197 122.0012 55.1294 29.2797 176.4446 53 G 4.1445 9.1339 107.5945 48.5026 0.0000 176.0808 54 G 3.7309 8.2079 107.0795 47.7718 0.0000 175.7781 55 Q 4.0152 8.0344 120.3593 58.7600 28.7883 178.5854 56 L 4.0576 8.0021 119.5595 57.8134 41.7431 179.2578 57 F 4.1574 8.8077 120.8203 61.4982 39.3845 177.3231 58 S 4.2330 8.3599 114.8419 61.4069 62.5920 176.4795 59 L 3.8437 8.1632 122.8754 58.1311 41.9149 178.8323 60 A 3.5484 7.5564 120.5807 54.9794 17.9793 179.0150 61 D 4.0451 8.0034 116.7382 57.7984 41.2427 178.6844 62 T 3.6221 7.9462 115.9967 66.5026 68.4206 176.5959 63 A 4.1622 7.9998 122.7923 54.9081 18.3709 179.5271 64 F 4.0198 8.2918 119.1639 61.3338 39.3851 177.2644 65 A 3.3190 7.9756 120.5550 55.1420 17.9577 179.2547 66 Y 4.1126 7.6848 115.0356 61.1573 37.6897 178.5933 67 A 4.0600 7.7742 120.8448 55.1445 18.7633 179.3285 68 C 4.1727 7.6759 115.2804 63.1372 28.2521 176.1428 69 N 4.3813 8.2285 118.0990 55.8218 37.8117 177.4573 70 S 4.2727 7.9998 115.3363 60.2286 62.8572 174.9158 71 Q 4.4910 7.5334 118.4215 55.0626 28.8308 175.1154 72 G 3.9293 8.0227 104.8696 47.5480 0.0000 174.9795 73 L 4.6474 7.6498 115.1828 51.9907 41.4247 177.0015 74 A 3.8122 7.7439 120.3087 53.0609 19.1495 177.0111 75 A 4.9354 8.0328 122.7103 50.7027 22.7613 175.2159 76 V 4.6794 8.3630 118.1103 60.7992 35.0062 174.6756 77 A 4.5979 8.7231 128.2272 52.1015 18.3337 177.3612 78 S 4.7105 8.9190 116.7527 59.2937 65.0110 174.1546 79 A 4.7516 7.6580 119.9329 51.2346 22.5667 174.5573 80 C 5.0902 8.3791 117.6926 58.7123 34.8315 173.1819 81 T 4.7620 8.8992 121.8108 61.8395 71.5181 173.1532 82 I 4.4838 8.0586 124.6562 59.4068 41.2406 174.2198 83 D 4.6957 8.3184 126.0736 52.4409 43.4944 175.0146 84 F 4.7447 8.7347 122.8370 56.6028 39.5011 175.2865 85 L 4.5730 8.9389 124.2963 55.9703 42.9835 177.5861 86 R 4.7019 7.6873 114.4105 53.6059 34.1288 173.0748 87 P 4.2080 0.0000 0.0000 62.4603 32.6376 176.7254 88 G 3.8591 8.1836 109.8039 44.7440 0.0000 173.1817 89 F 5.0422 8.4216 125.5050 55.9176 40.8358 175.2830 90 A 4.2287 8.6862 123.4755 53.9610 18.6842 177.3856 91 G 4.1947 9.0971 110.3916 45.5072 0.0000 174.2824 92 D 4.6947 7.9312 119.1279 54.8352 42.1483 175.8633 93 T 4.7834 8.7773 118.5886 62.0437 70.8153 173.3193 94 L 5.0016 8.4941 126.6203 53.4711 44.4343 175.5650 95 T 5.0629 8.9216 119.6073 61.6728 71.6206 172.8060 96 A 5.1421 9.2003 128.6441 50.4566 21.7790 174.9845 97 T 5.0733 9.0643 120.0878 61.8632 71.1559 173.3355 98 A 5.3785 8.9726 128.6669 50.3201 21.9788 175.1132 99 Q 5.0579 9.2078 122.2961 54.3211 32.9479 174.2838 100 V 3.2609 8.6460 126.6711 62.9933 31.6029 175.7338 101 R 4.5602 8.7544 125.2484 56.9815 32.7320 175.7796 102 H 4.6764 7.5505 116.9061 54.9669 33.5120 172.3476 103 Q 4.4107 8.3087 125.7832 54.7171 31.0840 174.1805 104 G 4.1358 8.9026 118.9658 44.2735 0.0000 171.8818 105 K 4.1386 8.8584 117.9831 59.3886 32.3112 178.0871 106 Q 4.5667 8.1516 115.8686 55.7792 31.1273 174.9283 107 T 5.2965 7.0868 106.4737 59.1713 73.0247 172.5867 108 G 4.4775 8.3236 106.5943 45.5918 0.0000 171.9664 109 V 5.1936 8.9540 119.1601 61.3747 34.7906 173.7238 110 Y 5.1694 9.3038 125.0243 56.3402 41.5364 174.1808 111 D 5.4742 9.2585 122.8964 52.7884 43.9514 175.5117 112 I 5.1799 9.0273 122.9689 59.6235 41.5202 173.7867 113 E 5.1877 9.2396 127.3281 54.3958 32.8576 174.3109 114 I 5.0799 8.9645 127.3064 59.7294 39.9847 175.1337 115 V 5.0176 8.7773 119.5736 59.6327 36.1476 174.8164 116 N 5.4569 8.9246 120.4155 50.5303 39.6973 175.7167 117 Q 4.0612 8.8205 115.8400 59.2804 28.5184 177.1494 118 Q 4.2629 8.2599 115.5083 55.5342 28.7702 175.7042 119 Q 3.6544 8.2417 115.7376 56.6147 27.0459 173.4729 120 K 4.4686 8.1088 117.6647 55.2107 33.4395 176.3449 121 T 4.4003 8.3249 119.3952 63.8713 69.1828 174.3951 122 V 4.1494 9.3939 127.3348 64.7983 33.0199 175.4229 123 A 4.9909 7.7188 119.5349 50.6775 22.8250 174.6696 124 L 5.2037 8.4089 119.5892 52.9542 44.9793 175.8731 125 F 5.1880 9.8987 122.6860 55.7267 43.0811 174.6450 126 R 4.9813 8.9216 121.9027 55.1440 33.0784 173.9951 127 G 4.3998 9.3061 113.8023 44.2112 0.0000 170.7964 128 K 5.1645 8.7280 122.9837 54.6264 34.3925 175.4055 129 S 5.3551 9.2407 121.8578 57.0914 66.3382 172.3873 130 H 5.1646 9.2541 118.9554 55.1385 31.1838 174.9844 131 R 4.2891 9.3984 122.1629 56.7002 30.3483 176.0495 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 8.19 4.55 0.00 4.06 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 0.00 3 H 8.49 4.05 0.00 3.35 3.46 0.00 5.82 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 4 K 8.80 4.30 0.00 1.85 1.91 0.00 1.98 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.42 7.81 5 A 8.07 4.04 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 0.00 0.00 0.00 0.00 0.00 6 W 8.52 4.00 0.00 3.51 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 7 Q 8.56 3.87 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.78 3.05 0.00 8 N 8.06 4.35 0.00 2.83 2.84 0.00 0.00 7.00 6.62 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 9 A 7.58 4.04 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 10 H 7.77 4.07 0.00 1.95 2.85 0.00 5.79 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 11 A 7.84 3.81 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 *13 Y 7.79 4.54 0.00 2.96 3.15 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 14 E 7.90 3.50 0.00 1.87 1.79 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 2.18 2.36 0.00 15 N 7.87 4.06 0.00 2.66 2.52 0.00 0.00 7.14 8.48 0.00 0.00 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 D 8.15 4.67 0.00 2.83 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 17 A 7.71 3.87 1.02 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 18 C 7.81 4.03 0.00 3.00 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 19 A 7.90 3.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.81 0.00 1.92 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 21 A 7.87 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.49 0.00 1.76 1.71 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.79 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 24 I 8.16 4.63 2.01 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 1.31 0.65 0.99 0.00 0.00 25 D 8.79 5.04 0.00 2.53 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 4.06 1.66 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.11 0.66 0.00 0.00 27 I 8.80 4.22 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 1.11 0.67 0.91 0.00 0.00 28 S 7.57 4.31 0.00 3.86 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 *30 D 8.13 3.90 0.00 2.21 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 31 E 8.40 3.75 0.00 1.92 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 2.31 2.31 0.00 32 G 10.44 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 33 F 7.65 5.64 0.00 3.13 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 34 A 9.18 4.90 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 35 V 9.48 4.80 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 0.89 0.00 0.00 1.05 0.00 0.00 36 V 8.78 4.93 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 0.71 0.00 0.00 1.01 0.00 0.00 37 T 8.72 5.58 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 1.28 0.00 0.00 *39 T 8.30 4.54 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 1.30 0.00 0.00 40 V 8.82 3.80 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 1.07 0.00 0.00 1.00 0.00 0.00 41 T 8.43 4.84 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 1.26 0.00 0.00 42 A 8.60 4.27 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 43 Q 7.25 4.18 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.36 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 *45 L 7.81 4.36 0.00 1.77 1.69 1.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.91 4.80 0.00 2.87 3.00 0.00 0.00 6.73 6.97 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 47 G 8.62 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.82 4.72 0.00 3.35 3.32 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.13 3.84 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 50 S 7.53 4.86 0.00 3.73 3.83 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 51 C 8.85 4.51 0.00 3.14 2.88 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 52 H 9.02 4.39 0.00 3.24 3.39 0.00 5.55 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 53 G 9.13 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 0.00 0.00 0.00 0.00 54 G 8.21 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 0.00 0.00 0.00 55 Q 8.03 4.02 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 56 L 8.00 4.06 0.00 2.18 2.09 1.19 1.09 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 57 F 8.81 4.16 0.00 3.44 3.30 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 58 S 8.36 4.23 0.00 4.13 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 59 L 8.16 3.84 0.00 1.72 1.78 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.56 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.00 4.05 0.00 2.26 2.70 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 62 T 7.95 3.62 4.32 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 1.08 0.00 0.00 63 A 8.00 4.16 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 64 F 8.29 4.02 0.00 2.94 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 65 A 7.98 3.32 1.10 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 66 Y 7.68 4.11 0.00 3.17 2.85 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 0.00 0.00 0.00 67 A 7.77 4.06 1.51 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 68 C 7.68 4.17 0.00 2.71 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 69 N 8.23 4.38 0.00 2.72 2.84 0.00 0.00 6.84 7.89 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 70 S 8.00 4.27 0.00 3.99 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 0.00 71 Q 7.53 4.49 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 72 G 8.02 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 73 L 7.65 4.65 0.00 1.75 1.64 0.96 0.53 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 74 A 7.74 3.81 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 A 8.03 4.94 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 76 V 8.36 4.68 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 1.04 0.00 0.00 0.98 0.00 0.00 77 A 8.72 4.60 1.01 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 78 S 8.92 4.71 0.00 3.87 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 79 A 7.66 4.75 1.22 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 80 C 8.38 5.09 0.00 3.01 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 81 T 8.90 4.76 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 1.15 0.00 0.00 82 I 8.06 4.48 1.31 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.45 -0.82 0.00 0.00 83 D 8.32 4.70 0.00 2.37 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.73 4.74 0.00 2.88 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 85 L 8.94 4.57 0.00 1.68 1.71 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.69 4.70 0.00 1.74 1.78 0.00 3.35 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 87 P 0.00 4.21 0.00 0.72 1.57 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 88 G 8.18 3.86 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 0.00 0.00 0.00 89 F 8.42 5.04 0.00 3.23 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 90 A 8.69 4.23 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.10 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 0.00 0.00 0.00 92 D 7.93 4.69 0.00 2.85 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 93 T 8.78 4.78 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 94 L 8.49 5.00 0.00 1.61 1.59 0.95 0.72 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 95 T 8.92 5.06 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 1.28 0.00 0.00 96 A 9.20 5.14 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 97 T 9.06 5.07 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 1.21 0.00 0.00 98 A 8.97 5.38 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 99 Q 9.21 5.06 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 100 V 8.65 3.26 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 0.22 0.00 0.00 1.01 0.00 0.00 101 R 8.75 4.56 0.00 1.74 1.90 0.00 3.38 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 102 H 7.55 4.68 0.00 3.20 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.31 4.41 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 104 G 8.90 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 0.00 0.00 0.00 0.00 105 K 8.86 4.14 0.00 1.79 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 106 Q 8.15 4.57 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 107 T 7.09 5.30 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 108 G 8.32 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.95 5.19 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 1.05 0.00 0.00 0.97 0.00 0.00 110 Y 9.30 5.17 0.00 3.11 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 0.00 111 D 9.26 5.47 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 0.00 112 I 9.03 5.18 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.13 0.81 0.00 0.00 113 E 9.24 5.19 0.00 2.04 1.77 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 2.21 2.27 0.00 114 I 8.96 5.08 1.99 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 1.21 0.93 0.96 0.00 0.00 115 V 8.78 5.02 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 0.80 0.00 0.00 0.95 0.00 0.00 116 N 8.92 5.46 0.00 2.88 3.02 0.00 0.00 6.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.82 4.06 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.27 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 118 Q 8.26 4.26 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 119 Q 8.24 3.65 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 120 K 8.11 4.47 0.00 1.98 1.74 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.57 7.81 121 T 8.32 4.40 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 0.00 122 V 9.39 4.15 2.27 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 1.16 0.00 0.00 0.95 0.00 0.00 123 A 7.72 4.99 1.11 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 0.00 124 L 8.41 5.20 0.00 1.47 1.50 0.89 0.86 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 0.00 125 F 9.90 5.19 0.00 2.87 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 0.00 126 R 8.92 4.98 0.00 1.86 1.72 0.00 3.02 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 127 G 9.31 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 0.00 128 K 8.73 5.16 0.00 1.85 1.65 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.45 7.81 129 S 9.24 5.36 0.00 4.16 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 0.00 130 H 9.25 5.16 0.00 3.28 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 9.40 4.29 0.00 2.00 2.04 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.