NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3482 8.2601 123.5887 51.7286 20.0954 176.6985 3 A 4.0864 8.4665 121.8707 52.6431 19.5838 172.1014 4 V 4.7881 7.6422 115.1690 61.2754 34.2851 173.6228 5 T 4.8110 9.4459 118.2251 59.9946 71.7602 172.8410 6 Q 5.4474 8.8378 122.9339 54.3839 31.6792 175.0223 7 S 4.8801 8.9358 116.3248 56.0700 66.8359 172.1671 8 P 4.8781 0.0000 0.0000 62.6077 32.3073 176.3350 9 R 4.3320 8.3925 116.4485 58.1444 31.1514 176.2650 10 N 5.5950 7.9006 114.7090 51.7314 43.0785 174.1893 11 K 4.4469 9.0002 123.5129 55.5081 35.9791 174.7567 12 V 4.7890 8.5194 121.0309 59.8727 33.1407 175.1156 13 A 4.9480 9.3888 126.7380 50.0566 23.0836 174.3954 14 V 4.5234 8.5490 118.6370 60.9117 34.0871 175.2766 15 T 4.0640 8.0821 123.4480 65.7200 68.5909 173.9129 16 G 4.0865 8.7370 115.0127 44.4807 0.0000 173.6043 17 E 4.0208 8.2350 121.4600 56.1929 30.9708 175.7111 18 K 4.8117 8.4945 127.3494 55.6615 33.2177 175.6342 19 V 4.3501 8.5227 128.0423 61.3277 33.9789 174.1990 20 T 4.9031 8.4132 123.8958 61.7455 70.8221 173.3172 21 L 4.6583 8.7136 126.7180 53.0520 44.4262 175.6625 22 S 5.2621 9.0214 119.0592 57.0404 66.1822 172.4014 23 C 5.5648 9.0455 122.7326 55.1180 45.2641 172.5789 24 Q 5.4937 9.3694 125.1244 54.1113 31.8189 174.5193 25 Q 5.1305 9.1637 121.1051 54.4317 31.9570 175.0057 26 T 4.5692 8.5695 109.5624 61.7926 69.7783 175.2881 27 N 4.2392 8.2998 119.6976 53.7983 39.0470 174.3811 28 N 4.2470 7.9121 114.9655 54.8445 37.1491 173.3938 29 H 4.8831 8.1505 112.5635 54.6994 30.2259 175.8095 30 N 4.5046 8.7267 119.6211 55.6883 39.1739 175.5182 31 N 5.4436 7.7607 114.5267 51.6567 40.7608 174.6099 32 M 5.0662 7.3934 119.9711 54.1306 37.1246 173.5465 33 Y 5.2881 8.7051 117.2822 56.5072 43.3686 174.0580 34 W 5.5404 9.3437 121.8655 55.3872 32.4644 174.2960 35 Y 5.5258 10.0097 122.4128 56.1515 41.6292 174.7440 36 R 5.0424 8.9362 116.8399 54.4473 33.1220 174.0294 37 Q 5.2638 8.7423 121.5878 53.7555 31.7479 174.2498 38 D 4.9211 8.4972 124.6020 52.4094 45.1398 174.8954 39 T 3.9357 8.5295 119.2811 65.4674 68.7520 174.9594 40 G 3.9594 8.9648 113.4120 45.9436 0.0000 173.3879 41 H 4.6760 8.3259 115.4342 54.6190 31.6060 176.0926 42 G 3.7475 7.9556 106.9660 45.2541 0.0000 171.6413 43 L 4.7719 8.3207 121.7450 53.6174 42.8832 175.7923 44 R 4.8437 8.8557 123.3516 54.1918 33.0331 175.1654 45 L 4.1070 8.8489 125.9368 55.2826 42.9780 176.5850 46 I 4.0290 8.8959 127.5455 63.2028 38.6577 175.2758 47 H 5.4587 7.9599 117.2274 54.8971 33.5594 171.6232 48 Y 5.2330 8.8860 118.7477 56.0481 42.4339 173.4950 49 S 4.5232 8.1045 112.6719 57.2101 65.6992 173.9932 50 Y 4.4936 9.3722 124.0758 57.4032 38.4206 175.6910 51 G 4.0900 7.3341 112.2318 44.4781 0.0000 171.7071 52 A 4.0284 8.2682 122.4435 54.4228 18.2671 178.0356 53 G 4.0253 9.0524 112.2942 44.8281 0.0000 172.6355 54 N 5.1452 8.0191 118.5050 52.1310 40.8053 174.2423 55 T 4.8246 8.2472 113.7792 60.1891 72.0427 172.6715 56 E 4.6699 9.1030 123.6625 54.2342 33.5086 175.4023 57 K 4.4453 8.6226 121.2049 56.1826 32.9372 177.8656 58 G 4.3295 8.4827 112.4691 46.6553 0.0000 174.5840 59 D 4.7934 9.2185 121.9945 55.4800 41.5596 177.4038 60 I 4.7437 7.0365 110.7575 59.0396 37.2718 173.6424 61 P 4.3611 0.0000 0.0000 65.4505 32.3455 177.2948 62 D 4.3556 8.1178 119.7044 55.6777 41.1987 176.1245 63 G 3.5313 8.5973 112.0377 46.7964 0.0000 172.2795 *65 Y 5.5347 7.5944 114.8111 57.7771 39.2985 174.4104 66 E 4.8705 9.0421 120.1448 54.5791 33.8758 174.6527 67 A 5.0352 8.1889 121.3212 50.4590 22.8409 175.4976 68 S 4.4890 8.7739 113.3392 56.9369 66.3596 173.2122 69 R 5.1443 8.7245 127.8539 54.1446 29.2447 173.8874 70 P 4.4022 0.0000 0.0000 64.2368 32.0105 176.8203 71 S 4.6186 7.5566 112.2978 57.0501 65.7354 174.3326 72 H 4.1373 8.8192 120.0287 58.8834 29.7403 175.7462 73 E 4.3131 7.8470 117.7498 56.9108 30.0670 175.3316 74 Q 5.2528 7.6626 118.7536 54.1652 32.1227 174.6595 75 F 5.3366 9.3198 127.4450 57.1914 42.9581 173.0737 76 S 5.1868 9.3018 122.7865 56.7700 65.8562 172.7930 77 L 4.5256 8.4547 125.7693 53.1680 44.0355 174.8892 78 I 4.6655 8.7934 127.7682 59.5467 39.5321 174.9676 79 L 4.3913 8.8169 129.3445 53.6806 41.5653 178.1707 80 V 3.5352 8.2695 125.2810 64.3236 32.4170 176.3290 81 S 4.5008 7.7758 116.1884 55.9997 64.5601 172.5828 82 A 4.3609 9.1454 130.0686 52.4847 19.3088 176.2089 83 T 4.8764 8.5488 111.1423 59.0112 72.1092 173.4815 84 P 4.3097 0.0000 0.0000 65.7667 31.5372 178.5614 85 S 4.3194 7.4783 111.0492 60.2845 63.0991 174.8047 86 Q 4.4841 8.4676 119.6185 56.2020 28.7304 175.8541 87 S 4.4817 7.9732 116.1121 59.1547 63.4649 173.6632 88 S 4.4689 8.4188 118.0034 58.2266 67.1829 174.0234 89 V 4.8030 7.4728 120.4893 61.3836 33.3064 174.0168 90 Y 5.1389 9.0461 126.1230 56.3970 40.4866 174.6995 91 F 5.4442 9.9002 122.5988 56.0043 42.6745 173.6007 92 C 4.6939 9.4366 123.8058 55.5241 41.7617 172.0467 93 A 5.2778 8.8194 124.5665 50.4347 22.9317 174.9388 94 S 5.1615 8.8981 113.3513 56.2065 67.2829 173.0478 95 G 4.6360 7.7115 107.3913 46.4149 0.0000 172.2513 96 V 4.7517 7.0720 118.3828 61.6577 35.5663 175.7512 97 G 3.6628 8.5607 113.2374 47.3277 0.0000 174.4051 98 G 3.9994 8.6741 114.4680 45.7613 0.0000 172.9190 99 T 4.2650 7.9133 117.4748 62.8515 69.8835 173.7893 100 L 4.7684 8.3534 124.7391 53.0987 44.8386 175.5435 101 Y 4.2039 9.0752 126.4024 55.7277 39.9010 174.1005 *108 F 4.9753 8.4325 123.7411 57.0920 40.5807 175.4482 109 G 4.1958 9.4146 109.7750 45.8793 0.0000 173.2050 110 A 4.5533 8.7696 121.0548 52.1570 19.3949 178.3890 111 G 3.4883 8.6291 102.2637 45.0366 0.0000 173.0686 112 T 4.7781 8.6418 117.3345 61.4626 71.9201 173.4434 113 R 4.5636 8.8085 126.5140 55.5343 31.6256 175.2517 114 L 5.2798 9.0155 126.2704 53.1942 45.1892 174.7519 115 S 4.9651 9.1568 121.1029 56.4320 65.1170 172.4532 116 V 4.6875 8.6665 127.5904 61.1718 33.3063 175.3492 117 L 4.3819 9.1683 127.4554 54.8644 41.8406 176.5550 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 A 8.26 4.35 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 3 A 8.47 4.09 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 4 V 7.64 4.79 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 0.92 0.00 0.00 0.83 0.00 0.00 5 T 9.45 4.81 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 1.27 0.00 0.00 6 Q 8.84 5.45 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 7 S 8.94 4.88 0.00 3.88 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 8 P 0.00 4.88 0.00 2.41 2.11 0.00 3.74 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 1.97 1.96 0.00 9 R 8.39 4.33 0.00 1.78 2.03 0.00 3.31 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 10 N 7.90 5.60 0.00 2.55 2.66 0.00 0.00 6.64 7.61 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 11 K 9.00 4.45 0.00 1.81 1.57 0.00 1.47 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.43 7.81 12 V 8.52 4.79 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 0.74 0.00 0.00 0.93 0.00 0.00 13 A 9.39 4.95 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 14 V 8.55 4.52 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 1.02 0.00 0.00 0.92 0.00 0.00 15 T 8.08 4.06 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 1.21 0.00 0.00 16 G 8.74 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 17 E 8.24 4.02 0.00 2.19 1.78 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 2.26 2.23 0.00 18 K 8.49 4.81 0.00 1.76 1.65 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.54 7.81 19 V 8.52 4.35 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 0.74 0.00 0.00 0.84 0.00 0.00 20 T 8.41 4.90 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 1.14 0.00 0.00 21 L 8.71 4.66 0.00 0.75 1.31 0.15 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.02 5.26 0.00 3.95 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 23 C 9.05 5.56 0.00 2.78 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 24 Q 9.37 5.49 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 25 Q 9.16 5.13 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.07 0.00 0.00 0.00 0.00 0.00 2.17 2.43 0.00 26 T 8.57 4.57 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 1.17 0.00 0.00 27 N 8.30 4.24 0.00 2.54 2.23 0.00 0.00 7.01 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.91 4.25 0.00 2.80 2.87 0.00 0.00 7.00 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 29 H 8.15 4.88 0.00 3.26 3.36 0.00 5.72 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 30 N 8.73 4.50 0.00 2.75 3.08 0.00 0.00 6.93 8.00 0.00 0.00 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 N 7.76 5.44 0.00 2.76 2.19 0.00 0.00 6.41 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 32 M 7.39 5.07 0.00 1.71 1.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 33 Y 8.71 5.29 0.00 3.04 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 34 W 9.34 5.54 0.00 3.40 2.98 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 35 Y 10.01 5.53 0.00 3.33 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 36 R 8.94 5.04 0.00 1.39 1.38 0.00 2.68 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 37 Q 8.74 5.26 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 38 D 8.50 4.92 0.00 2.72 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 39 T 8.53 3.94 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 40 G 8.96 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 41 H 8.33 4.68 0.00 3.27 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.96 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 0.00 0.00 0.00 43 L 8.32 4.77 0.00 1.49 1.57 0.62 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.86 4.84 0.00 1.79 1.86 0.00 3.13 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 45 L 8.85 4.11 0.00 1.70 1.66 0.54 0.84 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 46 I 8.90 4.03 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.56 0.40 0.00 0.00 47 H 7.96 5.46 0.00 3.14 3.30 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.89 5.23 0.00 2.60 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 49 S 8.10 4.52 0.00 3.13 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.37 4.49 0.00 3.09 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 51 G 7.33 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 52 A 8.27 4.03 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 53 G 9.05 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 0.00 0.00 0.00 54 N 8.02 5.15 0.00 2.72 2.85 0.00 0.00 6.91 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 55 T 8.25 4.82 4.31 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 1.42 0.00 0.00 56 E 9.10 4.67 0.00 1.16 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 1.94 1.92 0.00 57 K 8.62 4.45 0.00 1.68 1.76 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.42 7.81 58 G 8.48 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 0.00 0.00 0.00 0.00 59 D 9.22 4.79 0.00 2.59 2.78 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 60 I 7.04 4.74 1.95 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 1.50 0.65 0.95 0.00 0.00 61 P 0.00 4.36 0.00 2.25 2.13 0.00 3.82 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 2.03 2.01 0.00 62 D 8.12 4.36 0.00 2.74 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 63 G 8.60 3.53 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 0.00 *65 Y 7.59 5.53 0.00 3.05 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 66 E 9.04 4.87 0.00 1.82 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 0.00 2.19 2.21 0.00 67 A 8.19 5.04 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 68 S 8.77 4.49 0.00 3.88 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 69 R 8.72 5.14 0.00 2.02 1.86 0.00 3.55 0.00 0.00 2.97 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 70 P 0.00 4.40 0.00 2.25 2.20 0.00 4.20 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 71 S 7.56 4.62 0.00 4.12 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 72 H 8.82 4.14 0.00 3.10 3.37 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.85 4.31 0.00 2.08 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 2.29 2.30 0.00 74 Q 7.66 5.25 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.62 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 75 F 9.32 5.34 0.00 3.01 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 76 S 9.30 5.19 0.00 3.76 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 L 8.45 4.53 0.00 0.27 0.14 0.60 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.79 4.67 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.83 0.00 0.00 79 L 8.82 4.39 0.00 1.43 1.44 0.64 0.65 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 80 V 8.27 3.54 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 0.64 0.00 0.00 0.88 0.00 0.00 81 S 7.78 4.50 0.00 3.81 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 82 A 9.15 4.36 1.24 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 0.00 0.00 83 T 8.55 4.88 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 84 P 0.00 4.31 0.00 2.20 2.16 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 85 S 7.48 4.32 0.00 3.98 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 86 Q 8.47 4.48 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 87 S 7.97 4.48 0.00 3.87 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 88 S 8.42 4.47 0.00 3.69 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 89 V 7.47 4.80 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 0.56 0.00 0.00 0.94 0.00 0.00 90 Y 9.05 5.14 0.00 3.04 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 91 F 9.90 5.44 0.00 3.20 3.27 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 92 C 9.44 4.69 0.00 1.23 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 93 A 8.82 5.28 0.67 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 94 S 8.90 5.16 0.00 3.91 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 95 G 7.71 4.64 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 0.00 0.00 0.00 96 V 7.07 4.75 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 1.03 0.00 0.00 0.96 0.00 0.00 97 G 8.56 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 0.00 0.00 0.00 98 G 8.67 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 99 T 7.91 4.27 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 1.22 0.00 0.00 100 L 8.35 4.77 0.00 1.31 0.90 0.75 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 9.08 4.20 0.00 3.03 2.78 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 *108 F 8.43 4.98 0.00 2.98 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 0.00 109 G 9.41 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 0.00 110 A 8.77 4.55 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 0.00 111 G 8.63 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 0.00 112 T 8.64 4.78 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 1.25 0.00 0.00 113 R 8.81 4.56 0.00 1.80 1.88 0.00 3.07 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 114 L 9.02 5.28 0.00 1.78 1.75 0.96 0.30 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 0.00 115 S 9.16 4.97 0.00 3.91 3.68 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 0.00 116 V 8.67 4.69 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 0.82 0.00 0.00 0.93 0.00 0.00 117 L 9.17 4.38 0.00 1.59 1.53 0.92 0.93 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 * Residues marked with a * may have inaccurate shift predictions.