NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 3.2021 8.1933 115.3879 57.5865 64.1777 172.2192 2 L 4.8009 7.8666 126.3904 53.5419 42.6095 174.5296 3 A 4.8411 9.6777 125.0738 50.4837 23.7002 174.6045 4 V 4.7825 8.1645 111.2679 59.5003 34.8139 175.9076 5 D 4.3836 8.4593 121.8715 57.3126 40.8839 177.9115 6 Q 4.3892 8.0944 117.6476 54.8909 30.2710 176.0973 7 T 4.3107 8.0493 108.3551 62.7560 69.6292 174.3662 8 R 4.8971 7.0381 116.7501 55.5778 32.5556 173.6107 9 Y 4.8424 9.2048 116.2431 56.3405 42.7319 174.8211 10 I 4.9305 8.4559 122.2380 59.5194 39.8840 175.1128 11 F 4.3143 9.8135 134.2581 58.3414 40.4297 175.0510 12 R 4.6052 8.3423 127.5105 55.5354 30.2622 174.3780 13 G 3.9364 9.0393 114.6138 47.1814 0.0000 173.8316 14 D 4.6575 8.0330 117.3273 53.3394 40.0217 175.5542 15 E 4.6296 8.1986 121.2476 54.8796 31.3775 175.3682 16 D 4.6746 8.4852 122.5718 55.8183 41.6398 175.9850 17 A 4.7725 7.1710 118.0605 50.9384 22.4334 175.1140 18 L 4.4142 8.6050 121.4868 53.5478 44.4632 175.3497 19 T 4.9291 8.4449 123.0856 62.4860 70.0223 174.2935 20 I 4.6882 8.7782 126.6665 59.5282 40.7806 174.3169 21 T 5.0505 8.4833 115.4061 59.8912 71.0934 173.3835 22 V 4.8760 9.1331 127.0561 60.0052 34.1317 174.7840 23 T 4.9969 8.7692 113.9637 59.9093 71.9967 172.5650 24 N 5.1655 8.8633 123.4655 52.2619 39.9075 174.6178 25 N 4.7434 8.6293 123.9810 53.5225 38.4268 174.8606 26 D 4.6154 8.6858 121.8009 54.3763 42.0300 176.9975 27 K 4.3660 8.8860 123.8084 57.1165 33.0890 177.0845 28 E 4.5206 8.8911 117.7552 56.7702 31.3246 176.3336 29 R 4.8358 8.0936 116.1486 54.3431 32.3398 176.4172 30 T 4.4593 8.5071 113.6384 61.6832 70.0224 173.7153 31 F 4.6344 9.3299 124.2103 55.5323 41.9365 175.5553 32 G 3.9045 9.0978 110.3765 46.0311 0.0000 172.7740 33 G 3.9030 8.5597 108.2835 43.9963 0.0000 171.3696 34 Q 5.3586 9.0636 122.2452 54.2494 32.7382 173.6162 35 A 5.9400 9.7407 127.3605 49.3567 22.5416 174.8651 36 W 4.8672 7.9992 115.0255 55.9183 31.4715 173.0230 37 V 4.8380 8.6828 120.4458 61.3332 33.3574 174.1987 38 D 5.1449 9.3282 128.3713 52.8110 42.5639 176.3240 39 N 5.0212 9.1468 120.4972 53.9764 39.3300 173.6987 40 I 4.3644 7.3876 120.0884 63.3113 39.4151 178.0066 41 V 3.7692 7.5232 111.7770 64.0200 31.8278 177.3419 42 E 4.0886 7.9618 118.1728 56.5993 29.7265 177.1805 43 K 4.2088 8.5286 122.0918 58.0677 32.9178 177.1538 44 D 4.4581 8.0580 117.7127 54.8565 41.3911 176.2527 45 T 4.1338 8.3310 114.1994 62.7380 69.6090 174.6107 46 R 3.7892 8.3891 123.2047 55.9604 30.0902 174.2200 47 P 4.3846 0.0000 0.0000 63.4067 32.0136 176.6861 48 T 3.8777 8.6366 119.7260 65.6288 69.5010 174.4914 49 F 5.0881 7.9467 117.4607 55.3682 42.4822 175.0346 50 V 4.5547 9.2428 121.5121 61.1083 34.5387 174.2601 51 V 4.9684 8.5340 126.2688 61.4867 34.0089 174.7002 52 T 4.8334 8.8327 123.8406 61.0556 71.9895 171.7568 53 P 4.8855 0.0000 0.0000 62.8219 32.1264 176.6517 54 S 4.7123 9.0087 115.7411 60.2724 64.7825 173.3773 55 F 5.5004 8.3075 122.7996 56.8388 41.9675 173.1956 56 F 4.8474 8.1660 120.2806 56.0939 41.6925 172.7909 57 K 5.0522 8.6777 117.7305 54.5572 35.1985 176.1148 58 V 4.5304 9.1925 125.3414 61.4961 34.6267 176.0918 59 K 4.6621 8.7468 130.6962 54.0829 33.3641 171.2784 60 P 4.5839 0.0000 0.0000 65.4808 31.5854 176.0262 61 N 4.3994 8.2182 117.6814 52.9632 36.9982 174.5294 62 G 4.1287 7.9438 106.2216 45.5482 0.0000 173.0419 63 Q 5.2445 8.3639 117.1273 54.1886 33.0829 175.0044 64 Q 4.5263 9.3646 122.3209 54.6922 32.7065 173.6312 65 T 4.7848 8.4737 116.5971 60.6563 70.5541 173.7755 66 L 4.6947 9.1830 126.3104 52.9210 44.5261 175.1586 67 R 4.8428 9.0764 124.4556 54.8431 32.1483 174.6088 68 I 5.0952 8.8850 128.3524 59.6601 39.3738 174.8004 69 I 5.2088 8.9091 120.7682 58.9881 41.1255 174.4131 70 M 3.7563 8.7983 124.0695 55.5878 32.0859 175.5778 71 A 4.4628 8.4921 130.2934 52.7097 20.2201 178.0311 72 S 4.1110 7.4897 114.5663 57.9742 63.1973 180.2107 73 D 4.4563 8.6213 123.9765 55.3466 39.7561 175.4034 74 H 4.6715 7.7352 119.5478 54.1904 32.1032 172.3936 75 L 4.4989 7.8886 126.4999 52.0607 43.4210 174.6883 76 P 4.2667 0.0000 0.0000 63.5857 31.5883 176.6062 77 K 4.5351 8.6562 119.5276 56.3365 33.1570 176.3658 78 D 4.8639 7.9272 117.0750 52.6367 40.1910 175.6332 79 K 4.4934 7.3666 117.3025 55.4089 35.3496 175.3592 80 E 4.5674 8.5181 120.5237 56.6447 30.3504 176.1883 81 S 4.7889 8.9609 115.2347 56.9672 67.1844 172.9510 82 V 4.6765 7.6716 112.0591 59.8882 35.1436 174.4778 83 Y 4.5351 8.1912 119.0697 56.4301 43.4290 173.9308 84 W 5.2633 8.8144 120.7897 55.2099 31.1578 175.4395 85 L 4.5037 9.0958 128.8067 54.4593 42.9177 174.9544 86 N 5.0299 8.5207 124.2814 51.1050 41.3619 173.5895 87 L 4.7192 8.7978 125.4802 53.4481 44.9168 174.7301 88 Q 5.0744 9.4877 129.6492 54.3946 30.8510 174.5075 89 D 5.2056 8.7193 126.7673 52.8665 41.6725 176.5581 90 I 4.5504 8.9305 120.2251 58.9320 40.3254 173.3896 91 P 3.5660 0.0000 0.0000 61.0816 31.9534 175.1972 92 P 4.1579 0.0000 0.0000 62.1568 31.9144 176.4356 93 A 4.0649 8.2219 123.4753 52.2724 18.8859 177.7229 94 L 4.1926 8.3073 123.9193 55.0439 42.5729 178.1676 95 E 4.2153 8.8741 119.0635 58.3296 30.6068 175.6226 96 G 4.0724 7.4630 109.5936 44.1193 0.0000 172.1135 97 S 4.1925 8.8637 118.3253 58.3382 63.5292 174.8843 98 G 3.9889 7.2917 108.8467 45.0992 0.0000 171.3184 99 I 4.5063 7.7778 119.4398 59.2617 40.2623 174.6977 100 A 4.6864 8.6157 127.5621 50.1452 20.9944 175.4691 101 V 4.2894 8.4513 122.1178 60.8459 33.1886 174.5675 102 A 5.0593 8.5990 129.6938 50.2713 21.4190 174.8482 103 L 4.8058 9.3977 122.6556 52.8547 44.5575 175.4020 104 R 4.9984 8.6453 123.7754 55.0176 31.9711 174.8932 105 T 4.4936 9.0581 124.0233 61.8689 70.5646 173.4928 106 K 4.8656 8.6260 127.9397 54.6725 33.9688 174.9142 107 L 5.1505 9.0197 127.1316 52.6518 46.3562 175.9617 108 K 4.3240 8.7235 120.4634 56.0727 33.6840 175.7105 109 L 4.9737 8.6300 127.5064 53.3983 44.2836 175.0356 110 F 5.1460 9.2166 126.2989 56.7251 41.3403 174.3716 111 Y 5.2333 9.4428 124.5341 56.1067 40.9202 174.2157 112 R 4.3941 8.3990 128.0723 53.6948 31.9080 173.3394 113 P 4.2287 0.0000 0.0000 62.6213 32.4583 177.3520 114 K 3.6604 9.0830 123.9806 59.8579 31.9979 178.1421 115 A 4.3266 7.9508 117.3123 53.1952 18.0615 177.3085 116 L 4.6684 7.9579 115.7282 54.3015 43.0736 178.4911 117 L 3.9998 7.9444 119.6887 57.9330 41.7312 179.2605 118 E 3.9030 8.2940 117.4060 59.0192 29.6198 177.6419 119 G 4.0061 7.6490 103.8156 45.2557 0.0000 174.3894 120 R 2.7792 7.9297 123.4729 58.3062 31.1414 178.5229 121 K 3.5698 8.5341 118.1150 56.3459 31.3784 178.5277 122 G 4.0607 8.8063 104.8454 47.2289 0.0000 174.6691 123 A 4.0133 7.4730 120.6644 53.9840 18.9104 178.2157 124 E 3.6835 7.2670 116.2262 56.6300 27.3321 177.4779 125 E 4.7085 7.5617 120.5931 54.7880 30.5711 177.1510 126 G 3.8103 7.9883 110.0915 45.9408 0.0000 172.5849 127 I 4.1750 8.4694 123.7667 61.9268 35.5597 173.1528 *140 V 4.3290 7.4166 118.4073 62.4148 32.0467 175.9077 141 N 4.7531 8.3109 126.0886 53.8704 36.1841 174.9225 142 T 4.3445 8.0140 107.4784 61.6528 69.2688 175.3700 143 T 4.5678 7.5145 111.9935 60.1387 71.0325 172.5315 144 P 4.3849 0.0000 0.0000 62.9751 31.3097 175.2162 145 Y 4.8663 7.5350 116.8161 56.0564 41.1484 174.6167 146 I 4.4737 8.7302 123.3725 60.2906 38.4538 175.5034 147 F 5.1172 8.5974 125.2646 55.3520 42.1999 175.0086 148 A 4.6470 8.6086 125.4783 52.5136 18.0322 177.9551 *169 K 4.2662 9.0058 127.2107 54.1160 33.5576 173.6640 170 L 4.5467 7.5455 120.1707 55.0801 42.7973 181.4778 171 L 4.2380 7.9851 116.4514 57.2440 41.6911 181.7439 172 M 5.1891 7.3272 112.2344 54.8138 31.1515 178.3398 173 F 4.9295 8.8439 122.7758 58.0244 39.4937 175.2337 174 M 4.4892 8.5213 124.0469 53.4416 33.7244 173.8286 175 P 4.3544 0.0000 0.0000 63.9382 31.6881 176.9641 176 G 3.9236 9.0192 112.7054 45.0686 0.0000 173.3561 177 D 4.4179 8.0419 123.5407 54.9744 41.8701 177.3674 178 E 4.7661 8.6606 123.9001 55.4416 28.3537 174.6785 *191 L 4.0657 7.2488 127.1667 52.8895 44.1567 180.5344 192 N 4.2883 8.0797 113.7243 53.1621 41.6137 173.3467 193 D 4.4039 7.7028 113.6968 57.8042 39.4303 174.7235 194 Y 4.3179 7.5074 116.7594 58.8970 38.2027 176.9073 195 G 3.9282 8.0341 108.3605 45.1266 0.0000 172.9829 196 E 4.6705 7.8111 118.7088 54.4173 32.3355 174.1546 197 L 4.9491 8.0547 118.8168 53.5192 44.1970 176.5582 198 Q 4.4109 9.1387 120.6637 57.3364 32.6496 173.6455 199 T 3.1018 9.1839 114.5047 64.9584 68.2594 169.4227 200 W 3.6528 8.2924 125.1502 58.9765 30.9224 174.7068 201 T 4.5714 8.5896 125.1847 63.4022 67.6604 177.2523 202 I 3.8200 8.9401 131.6873 59.1771 35.5508 171.4662 203 N 4.9279 6.9159 125.6942 53.1764 40.5652 175.3651 204 K 4.3234 8.5866 127.6657 56.1267 40.0801 176.9722 205 K 4.3257 8.1840 124.4925 54.7893 31.5725 177.3559 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 1 S 8.19 3.20 0.00 3.64 3.56 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 2 L 7.87 4.80 0.00 1.57 1.62 1.03 0.50 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 3 A 9.68 4.84 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 4 V 8.16 4.78 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 0.79 0.00 0.00 1.16 0.00 0.00 5 D 8.46 4.38 0.00 2.93 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 6 Q 8.09 4.39 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 7 T 8.05 4.31 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 1.21 0.00 0.00 8 R 7.04 4.90 0.00 1.99 2.06 0.00 3.12 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 9 Y 9.20 4.84 0.00 2.97 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 10 I 8.46 4.93 1.85 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 1.18 0.86 0.91 0.00 0.00 11 F 9.81 4.31 0.00 2.99 3.10 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 12 R 8.34 4.61 0.00 1.54 1.79 0.00 3.31 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.20 0.00 13 G 9.04 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 14 D 8.03 4.66 0.00 2.80 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 15 E 8.20 4.63 0.00 1.89 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 2.11 2.17 0.00 16 D 8.49 4.67 0.00 2.72 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 A 7.17 4.77 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 18 L 8.61 4.41 0.00 1.34 1.49 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.44 4.93 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 1.18 0.00 0.00 20 I 8.78 4.69 1.64 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.63 0.74 0.00 0.00 21 T 8.48 5.05 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 1.20 0.00 0.00 22 V 9.13 4.88 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 0.72 0.00 0.00 1.05 0.00 0.00 23 T 8.77 5.00 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 1.26 0.00 0.00 24 N 8.86 5.17 0.00 2.90 2.88 0.00 0.00 6.95 6.23 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 25 N 8.63 4.74 0.00 2.74 2.87 0.00 0.00 6.99 8.20 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 26 D 8.69 4.62 0.00 2.97 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 27 K 8.89 4.37 0.00 2.06 1.86 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.02 7.81 28 E 8.89 4.52 0.00 1.94 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 2.26 2.27 0.00 29 R 8.09 4.84 0.00 1.93 1.78 0.00 3.21 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 30 T 8.51 4.46 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 31 F 9.33 4.63 0.00 2.99 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 32 G 9.10 3.90 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 0.00 0.00 0.00 33 G 8.56 3.90 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 0.00 0.00 0.00 34 Q 9.06 5.36 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 35 A 9.74 5.94 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 36 W 8.00 4.87 0.00 3.45 3.32 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 37 V 8.68 4.84 2.20 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 0.91 0.00 0.00 0.93 0.00 0.00 38 D 9.33 5.14 0.00 2.92 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 39 N 9.15 5.02 0.00 2.82 3.02 0.00 0.00 6.88 7.45 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 40 I 7.39 4.36 1.64 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.29 0.80 0.00 0.00 41 V 7.52 3.77 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 0.58 0.00 0.00 0.82 0.00 0.00 42 E 7.96 4.09 0.00 1.99 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 2.35 2.41 0.00 43 K 8.53 4.21 0.00 2.01 1.87 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.41 0.99 7.81 44 D 8.06 4.46 0.00 2.63 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 45 T 8.33 4.13 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 46 R 8.39 3.79 0.00 1.82 1.91 0.00 3.24 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 1.60 1.60 0.00 47 P 0.00 4.38 0.00 2.09 2.06 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 48 T 8.64 3.88 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 0.30 0.00 0.00 49 F 7.95 5.09 0.00 2.65 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 50 V 9.24 4.55 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 1.07 0.00 0.00 0.95 0.00 0.00 51 V 8.53 4.97 2.22 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 0.93 0.00 0.00 1.01 0.00 0.00 52 T 8.83 4.83 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 1.24 0.00 0.00 53 P 0.00 4.89 0.00 2.26 2.11 0.00 3.69 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 1.75 1.85 0.00 54 S 9.01 4.71 0.00 4.24 4.49 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 55 F 8.31 5.50 0.00 2.97 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 56 F 8.17 4.85 0.00 3.12 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 57 K 8.68 5.05 0.00 1.88 1.72 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.60 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 0.96 7.81 58 V 9.19 4.53 2.22 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 1.09 0.00 0.00 1.21 0.00 0.00 59 K 8.75 4.66 0.00 1.49 1.68 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.44 1.04 7.81 60 P 0.00 4.58 0.00 2.06 2.20 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 61 N 8.22 4.40 0.00 2.86 2.88 0.00 0.00 6.89 7.09 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 62 G 7.94 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 63 Q 8.36 5.24 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 64 Q 9.36 4.53 0.00 2.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 1.31 1.83 0.00 65 T 8.47 4.78 4.18 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 1.17 0.00 0.00 66 L 9.18 4.69 0.00 1.40 1.50 0.89 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 67 R 9.08 4.84 0.00 1.81 1.79 0.00 3.06 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 68 I 8.88 5.10 2.07 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 1.02 0.00 0.00 69 I 8.91 5.21 1.99 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 1.17 0.91 1.02 0.00 0.00 70 M 8.80 3.76 0.00 1.84 1.37 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.28 0.00 71 A 8.49 4.46 1.13 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 72 S 7.49 4.11 0.00 3.65 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 73 D 8.62 4.46 0.00 2.69 2.61 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 0.00 0.00 0.00 0.00 74 H 7.74 4.67 0.00 2.97 3.13 0.00 5.88 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 75 L 7.89 4.50 0.00 1.25 1.39 0.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.27 0.00 2.05 2.02 0.00 3.64 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 2.04 2.14 0.00 77 K 8.66 4.54 0.00 1.77 1.85 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.40 7.81 78 D 7.93 4.86 0.00 2.70 2.71 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 0.00 0.00 0.00 0.00 79 K 7.37 4.49 0.00 2.06 1.65 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.03 7.81 80 E 8.52 4.57 0.00 1.82 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 2.47 2.10 0.00 81 S 8.96 4.79 0.00 3.71 3.90 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 82 V 7.67 4.68 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 0.11 0.00 0.00 0.60 0.00 0.00 83 Y 8.19 4.54 0.00 2.80 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 84 W 8.81 5.26 0.00 3.29 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 85 L 9.10 4.50 0.00 1.69 1.68 0.81 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.52 5.03 0.00 1.44 1.42 0.00 0.00 5.96 7.02 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 87 L 8.80 4.72 0.00 1.61 1.49 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.49 5.07 0.00 2.53 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 89 D 8.72 5.21 0.00 2.93 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 90 I 8.93 4.55 1.82 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.66 0.91 0.00 0.00 91 P 0.00 3.57 0.00 1.78 1.72 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.39 0.00 92 P 0.00 4.16 0.00 1.90 1.86 0.00 3.20 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.09 0.00 93 A 8.22 4.06 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 94 L 8.31 4.19 0.00 1.63 1.70 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 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1.16 1.14 0.91 0.00 0.00 *140 V 7.42 4.33 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 1.00 0.00 0.00 1.02 0.00 0.00 141 N 8.31 4.75 0.00 1.44 2.24 0.00 0.00 6.76 6.72 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 0.00 142 T 8.01 4.34 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 1.24 0.00 0.00 143 T 7.51 4.57 4.54 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 1.58 0.00 0.00 144 P 0.00 4.38 0.00 1.49 2.01 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 145 Y 7.54 4.87 0.00 2.38 2.51 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 0.00 146 I 8.73 4.47 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 1.15 0.43 1.01 0.00 0.00 147 F 8.60 5.12 0.00 3.28 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 0.00 148 A 8.61 4.65 1.25 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 0.00 0.00 *169 K 9.01 4.27 0.00 1.81 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 170 L 7.55 4.55 0.00 1.55 1.68 0.92 0.52 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 0.00 171 L 7.99 4.24 0.00 1.56 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 172 M 7.33 5.19 0.00 1.89 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 173 F 8.84 4.93 0.00 3.37 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 0.00 174 M 8.52 4.49 0.00 1.89 2.12 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.73 0.00 175 P 0.00 4.35 0.00 1.91 2.12 0.00 3.57 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 176 G 9.02 3.92 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 0.00 0.00 0.00 177 D 8.04 4.42 0.00 2.53 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 0.00 178 E 8.66 4.77 0.00 1.98 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 2.19 1.86 0.00 *191 L 7.25 4.07 0.00 1.59 1.67 0.92 0.57 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 0.00 192 N 8.08 4.29 0.00 2.71 2.59 0.00 0.00 7.25 7.94 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 0.00 193 D 7.70 4.40 0.00 2.65 2.28 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 0.00 194 Y 7.51 4.32 0.00 2.97 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 0.00 195 G 8.03 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 0.00 196 E 7.81 4.67 0.00 2.05 1.89 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 2.31 2.31 0.00 197 L 8.05 4.95 0.00 1.61 1.51 0.94 0.86 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 0.00 198 Q 9.14 4.41 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 5.83 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 199 T 9.18 3.10 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 1.18 0.00 0.00 200 W 8.29 3.65 0.00 3.60 3.21 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 0.00 201 T 8.59 4.57 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 0.00 202 I 8.94 3.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.42 0.91 0.00 0.00 203 N 6.92 4.93 0.00 2.86 2.92 0.00 0.00 6.91 7.65 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 0.00 204 K 8.59 4.32 0.00 1.71 1.63 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.21 0.94 7.81 205 K 8.18 4.33 0.00 1.93 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.