NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3134 8.1749 110.9389 61.4524 70.2780 172.5064 5 L 4.5469 7.8797 121.4766 50.3041 43.5254 175.6132 6 P 4.8870 0.0000 0.0000 64.4408 32.5424 177.7380 7 G 3.6961 8.0676 108.0387 49.0763 0.0000 175.3212 8 T 3.9649 7.9894 116.0742 65.6284 68.9113 175.0306 9 T 4.4224 8.0285 121.3024 60.4276 68.6315 171.7833 10 P 4.6721 0.0000 0.0000 61.5656 32.1431 175.0648 11 P 4.3136 0.0000 0.0000 63.3783 31.7464 175.0291 12 D 4.4726 7.9193 118.9195 53.4360 43.9375 174.6838 13 D 4.4044 8.3975 121.3503 53.9948 41.4728 176.3016 14 N 4.5665 8.5081 120.4173 53.3308 38.5119 175.5611 15 H 4.2713 8.8462 123.5671 57.8684 28.9396 176.3429 16 D 4.6091 8.5143 118.8574 55.6928 41.4221 176.8295 17 R 4.6070 7.6703 117.4441 53.7878 30.3295 172.4702 18 P 4.3127 0.0000 0.0000 61.1573 33.1043 176.3285 19 W 4.5313 8.1714 128.7263 56.1782 30.6785 175.9767 20 W 4.1995 8.1323 126.8640 59.2362 29.0137 176.8437 21 G 3.8531 6.2155 104.1740 44.9454 0.0000 173.0209 22 L 4.4604 8.3011 122.3580 54.2275 42.6818 176.1888 23 P 4.5773 0.0000 0.0000 63.4979 32.0157 175.3907 24 C 4.6453 8.3005 122.1916 58.4123 34.4779 173.6221 25 T 4.2216 8.2351 115.1019 61.3265 69.3414 174.5499 26 V 3.9413 7.0378 122.0064 62.1610 32.6367 174.9351 27 T 4.5089 7.9288 121.5815 60.9581 71.6207 172.2168 28 P 4.7649 0.0000 0.0000 62.9171 32.7711 174.9120 29 C 5.2910 8.6885 113.6002 57.3288 33.5627 172.3295 30 F 5.6281 10.1424 123.8116 56.6664 41.4907 174.3881 31 G 4.1288 8.6641 112.6637 44.4285 0.0000 171.3655 32 A 4.7892 7.8657 121.6984 50.3359 23.0159 175.3491 33 R 4.4690 8.4456 121.6102 54.4903 31.3024 175.5683 34 L 4.5755 8.8445 127.8277 54.2132 43.6449 176.3965 35 V 4.4189 8.6212 123.1389 62.2107 32.9245 174.3264 36 Q 4.9805 9.2237 129.8531 54.4738 31.4680 174.2944 37 E 4.5901 8.7513 126.7808 55.0622 32.0893 176.0485 38 G 3.8226 8.3145 116.1379 47.1745 0.0000 172.6547 39 N 4.8026 8.6445 121.8918 52.8442 38.9106 173.9705 40 R 4.8117 7.7422 117.7451 54.3008 32.3742 174.9262 41 L 5.2682 8.6433 121.6498 53.2477 44.8198 175.6843 42 H 4.9395 8.9585 118.7420 54.1890 32.4564 171.8063 43 Y 4.9836 8.8772 124.5773 56.4863 40.0728 174.4318 44 L 4.2102 8.0697 126.1137 52.4224 43.3200 177.0703 45 A 3.4809 7.9521 127.8487 54.5668 18.4142 177.3844 46 D 4.6775 7.5997 113.0792 53.3126 40.0360 176.6776 47 R 2.9043 7.3701 118.2906 54.5194 30.6899 173.9919 48 A 4.6907 7.0534 118.3748 51.7075 22.5080 175.4460 49 G 4.2317 7.9351 105.0695 46.0910 0.0000 172.7747 50 I 5.7009 8.6866 120.1521 59.5832 41.0862 175.1606 51 R 4.4818 9.3622 125.3193 55.7261 32.2013 177.4141 52 G 3.9940 9.0767 111.7990 44.8828 0.0000 171.9179 53 R 4.6280 8.1279 119.4896 54.4175 32.8354 175.9449 54 F 4.2302 9.0528 124.4945 57.0125 39.8494 175.9735 55 S 4.4853 8.5394 119.3601 58.0091 65.0684 175.0842 56 D 4.4093 8.6315 121.6900 57.6118 40.5159 179.4121 57 V 3.5766 7.7117 118.0122 66.2752 31.6202 177.7688 58 D 4.5298 8.3101 118.3696 57.0666 40.6579 178.6939 59 A 3.8232 8.6004 122.1338 55.1104 18.4617 178.9651 60 Y 4.1077 8.0585 118.0935 61.3665 38.9103 178.1826 61 H 4.1155 8.3047 117.0731 58.6194 28.6754 177.6004 62 L 3.8678 8.0349 122.5648 58.0590 41.5945 178.7368 63 D 4.1763 7.7340 118.0234 57.4117 40.7911 178.5144 64 Q 3.9819 7.4656 117.2024 58.7405 29.0174 178.1330 65 A 4.0736 8.4399 122.2134 54.5214 18.1914 179.1367 66 F 4.0159 8.0378 118.9597 61.4082 39.4304 175.4516 67 P 4.1478 0.0000 0.0000 65.3173 31.3882 178.3692 68 L 4.1253 7.6754 117.3933 57.5641 41.5180 180.2755 69 L 4.1490 7.9541 116.7870 55.2042 41.3702 179.2424 *71 K 4.1595 8.0436 120.7282 56.6648 34.0785 178.4081 72 Q 3.9659 8.1293 116.8861 58.9638 28.6177 178.4812 73 L 4.1211 7.9274 119.2523 57.7038 41.9000 179.1278 74 E 4.1467 8.0124 118.2494 59.0081 29.4401 179.8351 75 L 4.1958 7.7813 118.9788 54.6798 41.8556 179.3356 *77 L 4.5385 7.8415 119.7178 55.3596 43.6808 179.6572 78 T 4.1569 7.4558 113.5295 65.8913 68.3962 175.8964 79 G 3.6702 8.1809 108.9923 46.2822 0.0000 174.6335 80 G 4.0241 7.6515 106.2081 45.0797 0.0000 174.3748 81 E 3.9495 8.1283 119.7950 58.0484 29.5810 176.2345 82 L 4.5737 7.8669 119.1939 52.8728 42.9561 174.5113 83 N 5.1845 8.4841 122.8550 50.8331 40.5990 173.2802 84 P 4.2861 0.0000 0.0000 65.5325 31.5612 177.9955 85 R 4.3103 8.3243 115.0022 56.7483 30.5621 175.9750 86 H 5.0371 7.8867 115.3132 53.5429 31.6672 173.1696 87 Q 4.2626 8.7432 125.2386 56.2005 29.6058 174.7407 88 H 4.3891 8.3271 120.1114 55.7779 33.5794 172.9535 89 T 4.6514 8.5377 124.1795 62.6775 69.4792 174.5533 90 V 4.4821 8.7544 119.9806 59.8485 34.8091 174.8702 91 T 4.9199 8.3836 119.4417 61.7643 71.1715 173.3800 92 L 4.8189 8.9292 125.6342 52.9905 45.7112 175.0133 93 Y 5.1891 8.3661 117.7691 56.3278 41.2375 175.0968 94 A 4.4821 9.3659 125.3268 52.4150 22.9322 176.2793 95 K 3.6602 9.6915 121.3338 57.5204 29.9425 175.9846 96 G 3.9744 8.1167 103.2854 45.8146 0.0000 172.7000 97 L 5.3090 8.0328 119.5580 53.0239 45.4708 175.3618 98 T 4.6770 8.6770 118.1245 61.8159 71.3611 172.9677 99 C 5.1034 8.9542 126.2375 57.6249 34.5888 172.1411 100 E 5.1773 9.3978 126.1779 54.7097 31.6037 175.0220 101 A 5.4048 8.9229 125.0474 50.6294 23.2616 174.3255 102 D 5.1000 8.8764 118.2634 53.7480 44.8607 176.6277 103 T 4.5697 8.8718 114.5194 61.8138 69.5278 175.4913 104 L 3.7160 9.4101 120.7314 55.1328 39.7259 174.4625 105 G 4.0637 8.2950 104.5800 46.6776 0.0000 175.7788 106 S 4.3081 8.5127 115.0209 58.7539 63.8875 173.5065 107 C 4.0425 8.4749 118.8651 59.5369 25.7778 173.6226 108 G 4.3432 6.7101 119.2261 46.1263 0.0000 170.9024 109 Y 5.3425 7.5302 117.8425 56.1310 42.7872 174.7826 110 V 4.7307 8.4823 120.2650 61.6262 34.8929 173.7303 111 Y 5.0389 9.4990 126.6441 56.9200 39.6622 174.8856 112 L 5.5797 9.0825 123.1539 53.0661 46.3207 175.5129 113 A 5.2372 8.9938 122.2267 50.7489 22.7535 175.3151 114 V 5.0767 9.7025 123.2809 61.3702 34.8681 174.0623 115 Y 5.5008 8.4749 124.5131 54.9159 42.0780 172.2981 116 P 4.7753 0.0000 0.0000 62.8384 32.0997 176.5625 117 T 4.0206 8.6091 122.0965 62.9325 68.6879 174.5034 118 P 4.5836 0.0000 0.0000 62.5626 29.3645 176.9498 119 A 4.5875 7.5303 127.9165 49.5007 18.4947 177.2982 120 A 4.1571 7.4405 127.3652 52.2000 19.0051 176.7183 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 4 T 8.17 4.31 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 5 L 7.88 4.55 0.00 1.78 1.59 0.92 0.60 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 6 P 0.00 4.89 0.00 2.17 2.18 0.00 3.36 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 7 G 8.07 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 8 T 7.99 3.96 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 9 T 8.03 4.42 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 1.20 0.00 0.00 10 P 0.00 4.67 0.00 2.03 1.99 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 11 P 0.00 4.31 0.00 2.03 1.98 0.00 3.71 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 2.02 2.07 0.00 12 D 7.92 4.47 0.00 2.59 2.54 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 13 D 8.40 4.40 0.00 2.61 2.53 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 14 N 8.51 4.57 0.00 2.73 2.71 0.00 0.00 6.99 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 15 H 8.85 4.27 0.00 3.11 3.33 0.00 5.94 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.51 4.61 0.00 2.83 2.75 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 17 R 7.67 4.61 0.00 1.75 1.84 0.00 3.39 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 18 P 0.00 4.31 0.00 1.58 1.66 0.00 3.41 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.92 0.00 19 W 8.17 4.53 0.00 3.23 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 20 W 8.13 4.20 0.00 2.99 3.05 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 21 G 6.22 3.85 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 0.00 0.00 0.00 22 L 8.30 4.46 0.00 1.72 1.76 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.58 0.00 1.99 1.98 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 24 C 8.30 4.65 0.00 3.05 2.75 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 T 8.24 4.22 4.12 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 1.11 0.00 0.00 26 V 7.04 3.94 1.47 0.00 0.00 0.00 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 0.32 0.00 0.00 27 T 7.93 4.51 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 1.12 0.00 0.00 28 P 0.00 4.76 0.00 1.07 1.73 0.00 3.63 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.50 0.00 29 C 8.69 5.29 0.00 3.34 3.25 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 0.00 30 F 10.14 5.63 0.00 3.17 3.08 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 31 G 8.66 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 0.00 0.00 0.00 0.00 32 A 7.87 4.79 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 33 R 8.45 4.47 0.00 1.92 1.57 0.00 2.21 0.00 0.00 3.02 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 34 L 8.84 4.58 0.00 1.68 1.60 0.94 1.00 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 35 V 8.62 4.42 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 0.88 0.00 0.00 1.02 0.00 0.00 36 Q 9.22 4.98 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.51 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 37 E 8.75 4.59 0.00 2.04 1.81 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 2.16 2.20 0.00 38 G 8.31 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 39 N 8.64 4.80 0.00 2.74 2.79 0.00 0.00 6.69 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 40 R 7.74 4.81 0.00 1.95 1.71 0.00 3.06 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 41 L 8.64 5.27 0.00 1.40 1.50 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.96 4.94 0.00 3.05 3.15 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.88 4.98 0.00 3.19 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 44 L 8.07 4.21 0.00 1.45 1.39 0.88 0.60 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 45 A 7.95 3.48 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 46 D 7.60 4.68 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.37 2.90 0.00 1.41 1.12 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.12 0.00 48 A 7.05 4.69 1.29 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 0.00 0.00 49 G 7.94 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 50 I 8.69 5.70 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.14 1.30 0.00 0.00 51 R 9.36 4.48 0.00 1.70 1.73 0.00 2.36 0.00 0.00 2.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 52 G 9.08 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 53 R 8.13 4.63 0.00 1.75 1.78 0.00 3.28 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 54 F 9.05 4.23 0.00 3.06 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 55 S 8.54 4.49 0.00 4.09 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 56 D 8.63 4.41 0.00 2.71 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 57 V 7.71 3.58 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 1.04 0.00 0.00 0.93 0.00 0.00 58 D 8.31 4.53 0.00 3.03 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 59 A 8.60 3.82 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 60 Y 8.06 4.11 0.00 3.00 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 61 H 8.30 4.12 0.00 3.40 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.03 3.87 0.00 1.41 1.46 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.73 4.18 0.00 2.76 2.62 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 0.00 0.00 0.00 0.00 64 Q 7.47 3.98 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 65 A 8.44 4.07 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 66 F 8.04 4.02 0.00 2.82 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 67 P 0.00 4.15 0.00 1.99 2.03 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 68 L 7.68 4.13 0.00 1.77 1.65 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.95 4.15 0.00 1.64 1.59 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *71 K 8.04 4.16 0.00 1.91 1.84 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.54 7.81 72 Q 8.13 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 73 L 7.93 4.12 0.00 1.54 1.71 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.01 4.15 0.00 2.11 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 2.33 2.32 0.00 75 L 7.78 4.20 0.00 1.85 1.66 0.93 0.64 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 *77 L 7.84 4.54 0.00 1.93 1.74 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.46 4.16 4.37 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 1.20 0.00 0.00 79 G 8.18 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 80 G 7.65 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 81 E 8.13 3.95 0.00 1.95 2.02 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 2.35 2.36 0.00 82 L 7.87 4.57 0.00 1.74 1.60 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.48 5.18 0.00 2.69 2.66 0.00 0.00 7.14 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 84 P 0.00 4.29 0.00 2.20 2.23 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 85 R 8.32 4.31 0.00 1.71 1.94 0.00 3.08 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 86 H 7.89 5.04 0.00 3.12 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.74 4.26 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.63 2.30 0.00 88 H 8.33 4.39 0.00 3.12 3.18 0.00 5.99 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.54 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 1.27 0.00 0.00 90 V 8.75 4.48 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 0.80 0.00 0.00 0.97 0.00 0.00 91 T 8.38 4.92 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 0.67 0.00 0.00 92 L 8.93 4.82 0.00 1.38 1.44 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.37 5.19 0.00 2.78 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 94 A 9.37 4.48 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 95 K 9.69 3.66 0.00 1.77 1.62 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.24 7.81 96 G 8.12 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 0.00 0.00 0.00 97 L 8.03 5.31 0.00 1.67 1.55 0.90 0.71 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 98 T 8.68 4.68 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 0.83 0.00 0.00 99 C 8.95 5.10 0.00 2.86 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 0.00 100 E 9.40 5.18 0.00 2.05 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 2.28 2.31 0.00 101 A 8.92 5.40 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 0.00 102 D 8.88 5.10 0.00 2.78 2.55 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 0.00 103 T 8.87 4.57 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 1.28 0.00 0.00 104 L 9.41 3.72 0.00 1.77 1.69 0.06 0.77 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 0.00 105 G 8.29 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 0.00 0.00 0.00 106 S 8.51 4.31 0.00 4.38 4.46 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 0.00 107 C 8.47 4.04 0.00 3.11 2.99 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 0.00 108 G 6.71 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 0.00 109 Y 7.53 5.34 0.00 2.84 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 0.00 0.00 0.00 0.00 110 V 8.48 4.73 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 0.99 0.00 0.00 0.96 0.00 0.00 111 Y 9.50 5.04 0.00 3.06 2.99 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 0.00 112 L 9.08 5.58 0.00 1.58 1.63 1.12 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.99 5.24 1.48 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 0.00 114 V 9.70 5.08 2.47 0.00 0.00 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 1.22 0.00 0.00 115 Y 8.47 5.50 0.00 3.08 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 0.00 116 P 0.00 4.78 0.00 2.07 2.17 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.34 0.00 117 T 8.61 4.02 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 1.33 0.00 0.00 118 P 0.00 4.58 0.00 2.12 2.08 0.00 3.84 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 119 A 7.53 4.59 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 0.00 120 A 7.44 4.16 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 * Residues marked with a * may have inaccurate shift predictions.