NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.6025 8.3049 120.3396 54.7444 32.9583 177.1708 7 I 4.4525 8.7322 120.7704 60.0294 41.5864 172.9294 8 Q 4.3917 9.1533 123.5619 54.3561 32.3951 174.7312 9 V 4.2457 8.1504 117.3293 60.9534 33.7010 175.1936 10 Y 5.0172 8.6031 119.7451 57.6166 42.7913 173.5504 11 S 4.8501 8.4595 114.4136 57.0000 66.3624 175.0667 12 R 3.9822 8.1584 122.3343 58.9216 30.0234 175.7720 13 H 5.0932 7.6590 112.4130 53.0342 33.0420 170.8628 14 P 4.4216 0.0000 0.0000 62.3075 31.5599 176.8598 15 A 4.2331 8.8198 124.2218 52.8382 17.6898 177.2221 16 E 4.4513 8.6607 122.6237 55.1389 30.1977 175.0534 17 N 5.2126 8.2323 122.2602 56.9607 38.0786 174.5279 18 G 3.8823 8.6919 110.7429 45.0539 0.0000 172.5660 19 K 4.6312 8.5663 120.8144 55.2934 34.2619 175.7695 20 S 5.4962 8.0365 116.7537 56.8928 65.2266 172.6536 21 N 3.7247 6.9223 118.5608 53.2752 41.6873 171.9333 22 F 5.6296 7.6313 117.6393 55.6070 41.6494 174.8460 23 L 4.4970 8.6943 126.0683 54.4493 42.9521 175.1539 24 N 4.7483 8.7330 125.6503 52.1109 40.6701 172.6161 25 C 5.1489 8.4904 123.8581 55.3670 41.4355 172.6365 26 Y 4.7872 8.2630 122.0981 57.2355 37.9590 175.3593 27 V 4.5594 8.6879 122.5289 61.4598 34.4213 174.0271 28 S 4.9056 9.1896 123.7151 57.8942 65.4352 174.8221 29 G 3.6646 8.7935 112.4202 45.0098 0.0000 173.5189 30 F 4.5316 7.6341 117.9817 55.4095 39.4462 174.2266 31 H 4.0070 8.6468 122.7335 55.4061 28.5152 174.6253 32 P 4.3171 0.0000 0.0000 65.4522 31.5773 177.9386 33 S 4.3130 8.0056 112.5892 61.0484 62.2685 175.6734 34 D 5.0377 8.0171 118.3170 54.0291 41.3793 175.4587 35 I 4.8601 7.7270 110.5536 59.1292 41.3548 174.2926 36 E 4.7908 8.9961 121.7183 54.5125 33.0430 175.4340 37 V 4.7768 8.0807 122.9240 60.1816 34.3976 174.2869 38 D 4.7851 8.9172 122.6524 52.5168 46.0518 174.0137 39 L 5.0017 8.2759 119.2901 53.2311 44.1187 175.9219 40 L 5.1862 9.5933 123.8124 52.7652 46.4041 175.5788 41 K 5.1862 9.2924 118.9525 53.3223 34.7741 177.0442 42 N 4.8261 9.1521 125.4805 52.8221 36.1275 174.5406 43 G 3.7941 8.1167 99.5520 47.1256 0.0000 172.4258 44 E 4.4725 8.1429 120.3273 53.2869 31.7942 175.0063 45 R 4.1248 8.6194 126.8438 56.5045 30.1027 175.7344 46 I 3.7672 7.8615 128.1005 63.1757 37.5817 176.0685 47 E 4.5569 8.2484 120.6759 57.1843 27.4925 176.9439 48 K 4.4226 8.0324 119.5125 56.2889 31.6753 176.4970 49 V 5.4129 7.2775 117.0760 59.0995 34.3840 176.5506 50 E 4.4521 8.1125 122.6593 55.0930 32.8518 174.3904 51 H 4.4536 8.4353 124.3564 54.6541 32.7508 172.3149 52 S 4.5330 8.3340 120.6919 56.3111 63.6230 173.3575 53 D 4.5286 8.4321 127.0130 53.3770 39.8362 175.6051 54 L 4.9049 8.0220 119.9422 55.3819 41.1289 178.4715 55 S 4.9678 7.9243 114.1045 62.3289 63.2485 174.5998 56 F 4.2340 8.8311 127.0319 57.8105 38.2811 174.8440 57 S 4.4688 7.4763 111.4809 57.2739 67.3083 173.7955 58 K 4.1294 8.3535 125.3879 54.6520 34.2263 176.6801 59 D 4.6841 9.1981 117.7541 53.5746 40.7884 172.1158 60 W 5.5766 9.2172 130.4485 56.7182 32.3953 174.1640 61 S 3.9125 8.6022 122.5470 57.5278 61.0539 173.0220 62 F 4.4392 8.2654 120.6058 55.1995 38.4705 173.5454 63 Y 4.8979 7.1517 131.0918 57.8462 39.5194 169.0107 64 L 4.6460 7.5914 126.1843 52.5172 43.9266 175.2733 65 L 5.0456 7.8219 124.4468 53.2133 45.1930 174.2790 66 Y 4.6897 8.5992 121.6194 56.1914 42.0022 174.3363 67 Y 4.8387 7.5182 117.6470 55.7555 41.7599 173.9294 68 T 5.5578 8.3742 115.5511 59.3597 71.5541 172.1820 69 E 4.6956 9.2204 129.1867 56.5919 30.1890 175.7564 70 F 5.3473 9.0601 121.8318 55.4947 41.8156 174.5715 71 T 5.8844 9.1343 115.8421 60.3545 71.7767 172.1192 72 P 4.8221 0.0000 0.0000 62.9485 32.6668 175.7906 73 T 4.9938 8.5108 111.6972 59.5304 71.9038 174.1763 74 E 4.1649 8.8856 122.2220 57.8311 29.7601 177.2611 75 K 4.3982 7.7572 116.4713 57.3365 34.2194 175.8442 76 D 4.7416 7.7999 117.5007 52.3420 42.7242 174.6517 77 E 4.7902 8.3890 126.6738 54.8170 32.2811 173.6412 78 Y 5.2582 8.8225 123.0224 56.2758 40.7558 174.5168 79 A 5.3475 9.1860 125.2530 50.4805 23.7489 173.9148 80 C 5.4202 9.3402 116.6387 55.1956 44.4719 173.1882 81 R 5.7746 9.0945 125.0456 53.9627 31.9952 175.2853 82 V 4.8348 8.0527 124.1625 59.9501 35.1718 173.6809 83 N 5.2948 9.3754 121.0201 52.2300 42.2959 172.3887 84 H 5.1462 8.5240 122.9872 54.0312 33.6647 173.9048 85 V 3.5659 8.3080 121.5895 66.4055 31.5361 177.4558 86 T 4.0396 8.3198 112.9884 64.9528 67.4170 174.5580 87 L 4.2127 7.4178 119.4012 55.1612 42.0003 177.3165 88 S 4.6524 8.5015 116.3924 58.5487 63.8313 174.4796 89 Q 4.4605 7.6110 118.7880 53.6057 30.9126 172.7554 90 P 4.5836 0.0000 0.0000 62.8913 32.2876 175.6108 91 K 4.6720 8.6187 120.2255 54.9213 35.0987 175.1295 92 I 4.8988 8.2433 123.3399 59.4937 39.5660 175.2600 93 V 4.4164 8.3721 126.1154 59.8823 33.4996 174.7037 94 K 5.1039 8.6359 124.4816 54.1608 34.8777 175.5699 95 W 4.5697 9.1029 134.4907 56.6995 32.0530 175.1661 96 D 4.4422 8.7678 127.1186 55.3480 39.1824 175.1685 97 R 4.1347 7.6544 122.3774 56.1816 31.6921 174.9180 98 D 4.2267 7.6315 115.3964 56.1526 45.5147 175.6030 *99 M 4.2769 7.9438 121.3549 55.5170 32.0681 180.2489 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 6 M 8.30 4.60 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 7 I 8.73 4.45 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 0.92 0.00 0.00 8 Q 9.15 4.39 0.00 1.84 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 9 V 8.15 4.25 2.01 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 0.64 0.00 0.00 0.99 0.00 0.00 10 Y 8.60 5.02 0.00 3.24 2.82 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 11 S 8.46 4.85 0.00 3.66 3.64 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 12 R 8.16 3.98 0.00 1.95 1.72 0.00 3.07 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 13 H 7.66 5.09 0.00 3.13 3.17 0.00 5.95 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 14 P 0.00 4.42 0.00 2.49 2.07 0.00 3.78 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 2.08 2.15 0.00 15 A 8.82 4.23 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 16 E 8.66 4.45 0.00 2.14 1.95 0.00 0.00 0.00 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 2.39 0.00 17 N 8.23 5.21 0.00 2.74 2.88 0.00 0.00 7.44 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 18 G 8.69 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 0.00 0.00 0.00 19 K 8.57 4.63 0.00 1.74 1.69 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.55 7.81 20 S 8.04 5.50 0.00 3.90 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 21 N 6.92 3.72 0.00 2.18 1.42 0.00 0.00 6.95 7.81 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 22 F 7.63 5.63 0.00 2.88 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 23 L 8.69 4.50 0.00 1.78 1.72 0.71 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.73 4.75 0.00 2.69 2.69 0.00 0.00 6.05 5.65 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 25 C 8.49 5.15 0.00 2.79 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 26 Y 8.26 4.79 0.00 2.93 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 27 V 8.69 4.56 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 0.87 0.00 0.00 0.83 0.00 0.00 28 S 9.19 4.91 0.00 3.81 3.74 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 29 G 8.79 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 30 F 7.63 4.53 0.00 2.97 3.06 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 31 H 8.65 4.01 0.00 3.37 3.57 0.00 5.84 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.32 0.00 2.37 2.17 0.00 3.91 0.00 0.00 3.66 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 33 S 8.01 4.31 0.00 3.84 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 34 D 8.02 5.04 0.00 2.68 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 35 I 7.73 4.86 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 1.16 0.00 0.00 36 E 9.00 4.79 0.00 1.78 1.75 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 2.17 2.32 0.00 37 V 8.08 4.78 1.76 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 0.45 0.00 0.00 0.19 0.00 0.00 38 D 8.92 4.79 0.00 2.45 2.46 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 39 L 8.28 5.00 0.00 1.63 1.62 0.85 0.58 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 40 L 9.59 5.19 0.00 1.50 1.57 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.29 5.19 0.00 1.47 1.67 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.07 1.27 7.81 42 N 9.15 4.83 0.00 2.84 2.93 0.00 0.00 6.52 7.05 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 43 G 8.12 3.79 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 0.00 0.00 0.00 44 E 8.14 4.47 0.00 1.95 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 2.15 2.21 0.00 45 R 8.62 4.12 0.00 1.78 1.82 0.00 3.42 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 46 I 7.86 3.77 1.97 0.00 0.00 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 1.31 0.69 1.01 0.00 0.00 47 E 8.25 4.56 0.00 2.04 2.36 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 2.13 2.30 0.00 48 K 8.03 4.42 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.42 7.81 49 V 7.28 5.41 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 0.58 0.00 0.00 0.96 0.00 0.00 50 E 8.11 4.45 0.00 1.59 1.66 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 2.15 2.21 0.00 51 H 8.44 4.45 0.00 2.23 1.37 0.00 5.73 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.33 4.53 0.00 3.79 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 53 D 8.43 4.53 0.00 2.81 2.66 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 54 L 8.02 4.90 0.00 1.80 1.78 0.96 0.71 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 55 S 7.92 4.97 0.00 4.19 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 56 F 8.83 4.23 0.00 3.19 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 57 S 7.48 4.47 0.00 3.91 3.44 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 58 K 8.35 4.13 0.00 1.70 1.86 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.36 7.81 59 D 9.20 4.68 0.00 3.04 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 60 W 9.22 5.58 0.00 3.20 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 61 S 8.60 3.91 0.00 3.84 3.51 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 62 F 8.27 4.44 0.00 2.84 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 0.00 0.00 0.00 0.00 63 Y 7.15 4.90 0.00 3.15 3.38 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 64 L 7.59 4.65 0.00 1.99 1.62 1.06 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.82 5.05 0.00 0.94 0.99 0.65 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.60 4.69 0.00 2.63 2.66 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 67 Y 7.52 4.84 0.00 2.17 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 68 T 8.37 5.56 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 1.39 0.00 0.00 69 E 9.22 4.70 0.00 2.15 1.96 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 2.32 2.36 0.00 70 F 9.06 5.35 0.00 2.53 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 71 T 9.13 5.88 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 1.34 0.00 0.00 72 P 0.00 4.82 0.00 2.49 2.25 0.00 3.66 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.04 0.00 73 T 8.51 4.99 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 1.37 0.00 0.00 74 E 8.89 4.16 0.00 1.94 2.03 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 2.30 2.40 0.00 75 K 7.76 4.40 0.00 1.73 1.81 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.48 7.81 76 D 7.80 4.74 0.00 2.57 2.56 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 0.00 0.00 0.00 0.00 77 E 8.39 4.79 0.00 2.21 1.73 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 2.33 2.26 0.00 78 Y 8.82 5.26 0.00 3.01 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 79 A 9.19 5.35 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 80 C 9.34 5.42 0.00 2.75 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 81 R 9.09 5.77 0.00 1.80 1.67 0.00 3.03 0.00 0.00 3.26 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 82 V 8.05 4.83 1.85 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 0.47 0.00 0.00 0.60 0.00 0.00 83 N 9.38 5.29 0.00 2.69 2.56 0.00 0.00 6.47 7.74 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 84 H 8.52 5.15 0.00 3.27 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.31 3.57 2.05 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 0.91 0.00 0.00 0.84 0.00 0.00 86 T 8.32 4.04 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 1.35 0.00 0.00 87 L 7.42 4.21 0.00 1.92 1.74 0.93 0.85 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 88 S 8.50 4.65 0.00 3.85 3.89 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 89 Q 7.61 4.46 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 90 P 0.00 4.58 0.00 2.03 2.06 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 91 K 8.62 4.67 0.00 1.66 1.71 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.53 7.81 92 I 8.24 4.90 1.85 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 1.37 0.82 0.90 0.00 0.00 93 V 8.37 4.42 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 0.90 0.00 0.00 0.96 0.00 0.00 94 K 8.64 5.10 0.00 1.67 1.90 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.42 7.81 95 W 9.10 4.57 0.00 3.34 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 96 D 8.77 4.44 0.00 2.51 2.49 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 97 R 7.65 4.13 0.00 1.28 0.79 0.00 3.10 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 98 D 7.63 4.23 0.00 2.63 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 *99 M 7.94 4.28 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 * Residues marked with a * may have inaccurate shift predictions.