NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2284 8.4449 120.2380 56.5286 30.7169 175.1786 3 D 4.5469 8.1986 118.5556 54.5112 41.8937 175.8474 4 F 4.6768 7.9923 120.2914 56.9686 43.4813 172.3156 5 W 5.5759 7.7760 123.5609 54.7567 32.9311 174.8007 6 V 4.6949 8.9558 122.5443 60.0144 33.5282 174.6684 7 Q 4.5683 9.1925 126.6540 55.3006 30.5471 173.5530 8 Y 4.8706 8.7084 128.8724 54.1191 40.5773 176.8116 9 G 3.5422 8.5518 119.1086 46.9421 0.0000 172.6895 10 D 4.5190 8.7235 123.5180 54.2151 41.5954 175.3044 11 E 4.5552 7.9446 119.0810 55.6281 32.1137 174.0626 *13 L 4.6305 8.0903 117.6918 54.6650 43.3138 175.0803 14 P 3.9946 0.0000 0.0000 62.5015 32.0672 175.7146 15 V 4.5532 8.2525 123.4069 61.1652 33.6100 174.7288 16 I 4.3929 8.8073 128.5690 60.5404 40.2781 174.4639 17 G 3.6222 8.7154 110.5358 44.6089 0.0000 172.5462 18 D 4.6638 8.2337 118.9455 52.2740 40.8631 176.3453 19 F 4.6129 8.4331 126.7425 56.1199 40.0510 173.4612 20 P 4.1451 0.0000 0.0000 62.7140 31.7665 175.7940 21 R 4.4312 8.7740 120.9477 53.2929 32.9770 175.2402 22 K 3.8589 8.2659 119.5612 58.5868 32.2225 176.6676 23 G 3.9050 8.9506 115.0189 45.3333 0.0000 173.5977 24 D 4.5312 7.7849 119.8793 54.3706 42.0359 175.4716 25 Y 4.5395 8.4818 119.4541 57.2878 38.9265 175.4973 26 L 3.9698 8.7629 123.8083 54.8515 42.2721 175.9513 27 P 4.4039 0.0000 0.0000 61.9585 32.0399 176.5954 28 S 4.3600 8.4517 116.0436 58.6536 64.1258 174.1274 29 F 4.6946 7.5957 117.2395 56.0528 39.1154 172.0775 *31 L 4.2083 8.1972 118.6456 54.9453 43.8996 175.4526 32 V 4.9020 7.9691 117.9789 61.5780 34.7286 175.5151 33 D 5.4218 9.2870 128.1078 51.4290 41.3854 176.8691 34 D 4.5622 8.8273 117.2392 55.5554 39.4336 176.8451 35 Q 4.4099 8.1996 117.8420 55.6514 28.8623 175.9135 36 K 3.9730 8.3569 115.9052 57.2098 30.1129 175.6689 37 H 4.7331 8.4468 116.8851 54.3613 29.8921 174.5417 38 D 4.9654 8.6466 122.6128 54.9111 41.4978 175.8519 39 A 4.7096 9.1190 123.7141 50.3224 21.7043 175.1299 40 A 5.0559 8.7958 123.6251 48.8709 22.6494 176.9552 41 L 3.7694 7.9236 118.1954 58.2532 41.6033 179.8800 42 E 4.0676 7.8832 115.2017 58.1857 29.5384 178.1000 43 S 3.9624 7.7999 114.8849 60.2746 63.3498 174.5147 44 F 4.9102 7.6408 118.9129 55.8466 38.4973 175.1202 45 S 4.3884 7.6720 115.5529 58.8515 64.5794 174.0816 46 H 4.1513 8.6162 116.1975 56.6849 26.0594 174.7048 47 T 4.8577 7.5260 111.8249 59.9296 71.0541 171.2047 48 P 4.7040 0.0000 0.0000 63.0099 33.0428 174.9669 49 K 5.1006 9.2443 119.2093 55.5348 36.6427 174.7313 50 L 4.9945 9.1279 124.5366 53.6375 44.3736 174.9478 51 I 4.6809 8.9336 128.6918 60.0667 39.0847 175.2177 52 V 4.9609 8.8678 127.1748 61.2222 34.7596 174.0405 53 T 5.4282 8.6868 118.1094 59.8494 70.5625 173.8489 54 L 5.1054 8.3429 124.2387 52.7468 44.9834 176.7433 55 L 4.3471 8.8279 120.8799 57.4465 41.9923 177.9870 56 S 4.7759 7.6995 109.6590 57.4191 64.8880 176.4499 57 V 3.8054 8.8517 119.8649 63.7742 31.3719 176.8456 58 D 4.8072 8.2031 118.5687 54.0099 41.0927 176.3204 59 E 4.4612 7.9544 120.2924 55.5876 30.3263 174.7230 60 D 4.8270 7.9038 117.3873 54.3883 41.5731 177.8352 61 E 4.0318 8.2096 123.4871 57.6762 30.5874 176.8425 62 H 4.5416 8.0691 115.4267 55.1297 28.2101 174.7998 63 A 3.9146 8.8092 127.8819 52.8681 17.1010 174.7705 64 G 4.0503 6.9799 122.8233 42.8163 0.0000 173.7791 65 L 3.9558 9.3882 124.2204 57.8628 41.8244 178.8340 66 L 4.0205 7.8100 119.0182 57.6820 41.5813 179.2085 67 L 3.8453 7.9496 119.8929 57.8221 42.0380 178.4529 68 L 4.0169 8.1570 120.4800 58.4409 42.0209 179.3288 69 R 3.9037 8.3182 118.2407 59.0741 29.9102 178.6695 70 E 3.7182 8.1158 119.2736 59.3080 29.4937 179.0215 71 T 3.7488 7.9697 115.8432 66.6797 68.3669 176.6250 72 R 3.9332 7.9915 119.4668 59.2362 30.4551 178.1105 73 R 3.9721 8.0899 118.6516 59.4530 29.6811 178.1534 74 F 4.0377 8.1465 120.3846 61.3654 39.2865 176.8748 75 L 4.2327 8.0495 117.6709 56.8058 41.1895 178.5684 76 D 4.3016 7.5184 117.4463 57.2187 41.1509 177.5852 77 S 4.0574 7.1554 111.7470 58.3060 64.4159 174.6004 78 W 4.9460 7.8884 122.4879 53.8367 29.1368 174.0717 79 P 4.3230 0.0000 0.0000 65.2022 31.2977 178.0121 80 H 4.5519 8.0710 114.2842 56.4595 29.1665 174.6683 81 L 4.6500 7.8051 120.7732 53.2836 42.3159 176.3184 82 K 4.2301 8.7844 127.1197 55.8016 33.7391 175.3573 83 L 4.8268 8.5726 129.8338 54.4382 43.6271 175.0155 84 I 4.7061 8.7169 127.8416 59.5965 39.9872 174.5830 85 V 4.7298 8.7563 128.4635 61.2372 33.7220 174.5000 86 I 4.9628 8.7284 128.8661 59.6992 40.2699 174.8078 87 T 5.0149 8.4481 115.7435 60.3397 72.6658 174.7957 88 V 4.0433 8.2509 112.4400 61.2491 31.9197 176.8100 89 D 4.4821 7.6943 120.6614 54.0859 41.3951 177.1838 90 S 4.3286 8.3039 116.4674 57.6917 65.1307 173.4461 91 P 4.2020 0.0000 0.0000 66.0356 31.0441 179.1379 92 S 4.1173 7.9812 113.2577 61.8625 62.7844 176.8467 93 S 4.1732 8.3193 117.9483 61.4226 62.5390 176.7359 94 L 3.9655 8.2057 121.7036 57.7527 41.2535 179.3967 95 A 4.1691 8.3776 121.1135 55.1565 18.3098 179.7053 96 R 3.8438 8.0991 117.0383 59.4530 30.1910 178.5309 97 A 3.9892 8.2416 120.7984 55.0851 18.3588 179.3859 98 R 3.8244 8.0785 117.1725 59.9496 29.9065 178.2748 99 H 4.1443 7.9699 117.8893 59.3156 29.7232 176.8120 100 E 3.7202 8.5684 120.0588 58.7980 29.5289 177.5159 101 H 4.9455 8.5124 112.9982 53.8584 30.7328 174.5992 102 G 3.9046 7.5278 110.0458 46.3670 0.0000 174.2254 103 L 4.8873 8.1426 124.3621 53.1962 42.4643 176.5182 104 P 4.1618 0.0000 0.0000 65.1281 31.9681 177.7077 105 N 4.8133 7.9182 113.5545 53.2596 39.9889 175.1338 106 I 4.1289 7.0403 118.7755 61.0950 38.1210 175.6785 107 A 4.3749 8.7604 127.8513 51.6068 19.8927 176.3766 108 L 5.0842 8.6262 122.0658 52.9616 44.8658 175.3850 109 L 4.8838 8.9890 124.5714 52.8314 45.0376 175.7486 110 S 5.0704 9.1173 118.7887 57.0186 64.6088 173.9594 111 T 4.4984 8.3915 116.1695 61.5777 69.1822 176.5547 112 L 4.0022 7.9483 124.7879 59.2809 40.2863 178.6155 113 R 3.9430 7.3105 115.9004 58.4348 30.0851 177.4489 *115 R 4.1920 7.8671 117.0983 55.6398 32.0749 177.0190 116 D 4.3763 8.3194 120.9633 56.6156 39.3440 177.6820 117 F 4.2004 8.4458 122.0159 61.3510 39.2748 176.3865 118 H 4.0714 8.5810 115.0553 59.0787 28.6121 177.5585 119 K 4.0219 7.9471 120.8286 59.4840 31.8242 179.1096 120 R 4.0037 7.8559 116.9925 58.3527 29.7626 177.4693 121 Y 4.0726 7.8677 114.9338 56.1972 38.3202 175.7207 122 G 3.7322 7.8257 107.4067 47.3922 0.0000 174.6872 123 V 4.4330 8.2008 109.0500 60.4200 34.4476 175.4649 124 L 4.6189 7.9177 124.6069 54.7224 43.3990 175.4776 125 I 5.0395 8.2248 126.2350 59.8699 39.5036 176.2754 126 T 4.4902 8.7679 114.9657 61.1669 70.2451 173.4650 127 E 4.6370 7.7463 123.6771 54.1266 31.4743 174.0949 128 Y 4.3017 8.6888 125.7681 58.0602 39.1083 174.1468 129 P 4.0588 0.0000 0.0000 62.3157 31.7172 175.4595 130 L 4.4487 7.5084 117.8838 54.5407 41.9838 175.8874 131 S 4.3395 8.1268 113.8793 60.3714 62.2802 174.5819 132 G 3.9667 9.3408 117.3007 45.3903 0.0000 173.0459 133 Y 4.3713 8.1096 117.8571 57.8193 39.4772 174.8242 134 T 4.4992 8.4245 112.2127 61.0110 69.8733 174.5801 135 S 4.4282 9.3115 122.9608 57.3277 63.4220 171.9800 136 P 5.2713 0.0000 0.0000 62.8689 32.5363 174.8696 137 A 5.1215 8.5789 122.4560 51.4297 23.4551 174.7334 138 I 4.8274 8.6743 119.0972 59.2249 41.7666 174.2220 139 I 4.9253 8.9155 129.2625 59.5247 41.0507 173.8596 140 L 4.9906 9.1022 130.0230 53.8648 43.5077 175.1489 141 A 5.3223 9.0576 127.7339 50.2383 23.2676 175.5641 142 D 4.6839 8.7792 120.0106 51.8741 41.3390 177.2387 143 A 4.3085 8.6859 120.1154 54.4300 18.3196 178.2225 144 A 4.3088 8.1788 116.5183 52.1151 18.7974 176.7927 145 N 4.2407 8.1051 113.1655 54.2749 36.9795 173.7660 146 V 4.1314 7.7298 117.4276 61.1660 32.9341 174.8430 147 V 4.1596 8.6366 128.0513 63.5120 31.7371 175.9131 148 H 4.8133 9.1935 124.9280 56.8095 30.4994 174.5767 149 Y 4.7960 7.6152 117.4330 56.5598 41.9844 173.2686 150 S 5.0092 7.5383 119.5461 56.9523 66.4403 172.9430 151 E 4.5983 9.3839 123.1516 55.0855 33.2362 173.6660 152 R 4.5659 8.0911 125.9193 54.2693 31.4908 176.4318 153 L 4.1408 8.5257 124.5775 54.9314 42.3336 177.4773 154 A 4.4326 8.7401 125.5675 53.8658 19.3549 176.5764 155 N 5.4406 7.8126 114.1355 51.8122 41.8700 175.2071 156 T 4.0399 9.1711 115.8070 64.1298 69.0250 175.7254 157 R 4.5041 8.2296 119.7085 56.2658 30.5289 176.2829 158 D 4.5162 7.6766 118.2970 53.8616 41.6410 175.6594 159 F 4.9831 8.0571 119.1572 55.7310 40.7669 176.2515 160 F 4.4373 7.5892 121.6859 57.9625 39.4728 176.3745 161 D 4.5895 9.2319 123.1802 53.3032 38.6064 176.7837 162 F 3.7447 7.7610 122.8965 59.8136 39.3159 176.2991 163 D 4.4852 8.2661 117.9921 57.5313 40.5299 178.6446 164 A 3.9948 8.1623 121.0361 55.0582 18.2726 179.8569 165 I 3.1950 7.0881 117.9476 64.2577 37.0608 178.1350 166 E 4.0373 8.8633 120.5590 59.2169 29.3994 178.8340 167 K 3.9816 8.0664 119.5823 59.5558 32.2557 178.8382 168 L 3.9853 7.6278 119.2331 57.8134 41.5188 179.5588 169 L 3.6689 7.8663 119.0221 57.5630 40.8922 179.6439 170 Q 4.2500 8.4594 118.5323 59.0563 28.5000 178.3920 171 E 4.1153 8.4738 119.1618 59.1865 29.5143 179.2789 172 G 3.8478 8.0175 105.0105 48.0700 0.0000 175.3475 173 E 4.2744 8.1603 119.2629 57.4327 29.5182 177.2489 174 Q 4.2291 7.5890 122.8274 55.9728 29.5435 175.0593 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 E 8.44 4.23 0.00 1.39 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 2.02 1.47 0.00 3 D 8.20 4.55 0.00 2.75 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 4 F 7.99 4.68 0.00 3.06 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 5 W 7.78 5.58 0.00 2.87 2.95 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 0.00 0.00 0.00 6 V 8.96 4.69 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 0.80 0.00 0.00 1.07 0.00 0.00 7 Q 9.19 4.57 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 8 Y 8.71 4.87 0.00 2.88 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 9 G 8.55 3.54 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 0.00 0.00 0.00 10 D 8.72 4.52 0.00 2.57 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 11 E 7.94 4.56 0.00 2.23 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 2.24 2.44 0.00 *13 L 8.09 4.63 0.00 1.70 1.68 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 3.99 0.00 1.64 1.43 0.00 3.56 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 1.79 1.24 0.00 15 V 8.25 4.55 2.25 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 0.74 0.00 0.00 1.08 0.00 0.00 16 I 8.81 4.39 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.66 0.88 0.00 0.00 17 G 8.72 3.62 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 0.00 0.00 0.00 18 D 8.23 4.66 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 4.61 0.00 2.75 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 20 P 0.00 4.15 0.00 1.53 1.60 0.00 2.64 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 21 R 8.77 4.43 0.00 1.64 1.70 0.00 3.29 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 22 K 8.27 3.86 0.00 1.62 1.68 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.51 7.81 23 G 8.95 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 24 D 7.78 4.53 0.00 2.55 2.48 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 25 Y 8.48 4.54 0.00 2.84 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 L 8.76 3.97 0.00 1.59 1.86 1.11 1.10 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 27 P 0.00 4.40 0.00 1.86 1.87 0.00 2.80 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.79 0.00 28 S 8.45 4.36 0.00 3.96 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 29 F 7.60 4.69 0.00 3.28 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.21 0.00 1.56 1.67 -0.27 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.97 4.90 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 0.87 0.00 0.00 0.93 0.00 0.00 33 D 9.29 5.42 0.00 2.88 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 34 D 8.83 4.56 0.00 2.91 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 35 Q 8.20 4.41 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.34 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 36 K 8.36 3.97 0.00 1.83 1.93 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.37 7.81 37 H 8.45 4.73 0.00 3.56 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.65 4.97 0.00 2.58 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 39 A 9.12 4.71 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 0.00 0.00 0.00 0.00 0.00 40 A 8.80 5.06 1.17 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 0.00 0.00 41 L 7.92 3.77 0.00 1.46 1.64 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.88 4.07 0.00 1.86 1.94 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 2.26 2.33 0.00 43 S 7.80 3.96 0.00 2.72 3.23 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 44 F 7.64 4.91 0.00 3.08 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 45 S 7.67 4.39 0.00 3.71 3.76 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 46 H 8.62 4.15 0.00 3.37 3.44 0.00 5.70 0.00 0.00 0.00 0.00 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.53 4.86 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 1.38 0.00 0.00 48 P 0.00 4.70 0.00 2.17 2.16 0.00 3.87 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 2.32 2.00 0.00 49 K 9.24 5.10 0.00 1.80 1.90 0.00 1.42 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.54 7.81 50 L 9.13 4.99 0.00 1.76 1.60 0.93 1.18 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 51 I 8.93 4.68 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 0.89 0.00 0.00 52 V 8.87 4.96 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 1.37 0.00 0.00 0.91 0.00 0.00 53 T 8.69 5.43 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 1.37 0.00 0.00 54 L 8.34 5.11 0.00 1.56 1.84 1.03 1.16 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 55 L 8.83 4.35 0.00 1.66 1.63 0.68 0.51 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 56 S 7.70 4.78 0.00 4.00 3.76 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 8.85 3.81 2.12 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 0.75 0.00 0.00 0.97 0.00 0.00 58 D 8.20 4.81 0.00 2.70 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 59 E 7.95 4.46 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 60 D 7.90 4.83 0.00 2.81 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 61 E 8.21 4.03 0.00 1.88 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 2.25 2.29 0.00 62 H 8.07 4.54 0.00 3.42 3.41 0.00 5.78 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 63 A 8.81 3.91 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 64 G 6.98 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 0.00 0.00 0.00 65 L 9.39 3.96 0.00 1.89 1.64 0.87 0.55 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 66 L 7.81 4.02 0.00 1.92 1.87 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.95 3.85 0.00 1.84 1.85 0.58 0.21 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 68 L 8.16 4.02 0.00 1.93 1.87 0.97 0.87 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 69 R 8.32 3.90 0.00 1.99 1.94 0.00 3.17 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 70 E 8.12 3.72 0.00 1.55 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 1.47 1.64 0.00 71 T 7.97 3.75 4.52 0.00 0.00 0.00 0.00 0.00 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 72 R 7.99 3.93 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 73 R 8.09 3.97 0.00 1.99 1.99 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 74 F 8.15 4.04 0.00 2.59 2.95 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 0.00 0.00 0.00 75 L 8.05 4.23 0.00 1.98 1.76 1.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.52 4.30 0.00 2.80 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 77 S 7.16 4.06 0.00 3.02 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 78 W 7.89 4.95 0.00 3.23 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 79 P 0.00 4.32 0.00 2.01 2.08 0.00 3.69 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 80 H 8.07 4.55 0.00 3.26 3.43 0.00 5.69 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 81 L 7.81 4.65 0.00 1.75 1.69 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.78 4.23 0.00 1.93 1.71 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.42 7.81 83 L 8.57 4.83 0.00 1.85 1.55 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.72 4.71 1.66 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.39 0.52 0.00 0.00 85 V 8.76 4.73 2.06 0.00 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5.07 0.00 3.84 3.77 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 0.00 0.00 0.00 111 T 8.39 4.50 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 0.88 0.00 0.00 112 L 7.95 4.00 0.00 1.76 1.82 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.31 3.94 0.00 1.97 2.04 0.00 3.20 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 *115 R 7.87 4.19 0.00 1.86 1.88 0.00 3.09 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.50 0.00 116 D 8.32 4.38 0.00 3.03 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 0.00 117 F 8.45 4.20 0.00 3.19 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 0.00 118 H 8.58 4.07 0.00 3.46 3.41 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.95 4.02 0.00 1.81 1.81 0.00 1.63 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 128 Y 8.69 4.30 0.00 3.07 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 0.00 129 P 0.00 4.06 0.00 1.84 0.77 0.00 3.60 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 130 L 7.51 4.45 0.00 1.53 1.44 0.25 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.13 4.34 0.00 3.97 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 0.00 132 G 9.34 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 0.00 133 Y 8.11 4.37 0.00 2.98 2.87 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 0.00 0.00 0.00 134 T 8.42 4.50 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 1.09 0.00 0.00 135 S 9.31 4.43 0.00 3.88 3.76 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 0.00 136 P 0.00 5.27 0.00 2.23 2.23 0.00 3.98 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.84 0.00 137 A 8.58 5.12 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 0.00 138 I 8.67 4.83 0.56 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.50 0.63 0.00 0.00 139 I 8.92 4.93 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.61 0.85 0.00 0.00 140 L 9.10 4.99 0.00 1.79 1.74 0.92 0.85 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 0.00 141 A 9.06 5.32 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 0.00 142 D 8.78 4.68 0.00 2.91 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 0.00 143 A 8.69 4.31 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 0.00 0.00 0.00 0.00 0.00 144 A 8.18 4.31 1.40 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 0.00 145 N 8.11 4.24 0.00 3.08 2.98 0.00 0.00 6.54 6.96 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 0.00 146 V 7.73 4.13 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 0.61 0.00 0.00 0.05 0.00 0.00 147 V 8.64 4.16 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 0.77 0.00 0.00 0.83 0.00 0.00 148 H 9.19 4.81 0.00 3.02 3.34 0.00 5.75 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 0.00 149 Y 7.62 4.80 0.00 3.03 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 0.00 150 S 7.54 5.01 0.00 3.48 3.43 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 0.00 151 E 9.38 4.60 0.00 1.87 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 2.30 2.35 0.00 152 R 8.09 4.57 0.00 0.67 0.98 0.00 2.21 0.00 0.00 2.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 153 L 8.53 4.14 0.00 1.71 1.82 0.77 0.77 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 0.00 154 A 8.74 4.43 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 0.00 155 N 7.81 5.44 0.00 2.66 2.91 0.00 0.00 6.98 7.22 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 0.00 156 T 9.17 4.04 4.39 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 1.35 0.00 0.00 157 R 8.23 4.50 0.00 1.88 1.89 0.00 3.04 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 158 D 7.68 4.52 0.00 2.78 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 0.00 159 F 8.06 4.98 0.00 2.98 2.92 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 0.00 160 F 7.59 4.44 0.00 1.78 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 0.00 161 D 9.23 4.59 0.00 2.72 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 0.00 162 F 7.76 3.74 0.00 3.02 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 0.00 163 D 8.27 4.49 0.00 2.89 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 0.00 164 A 8.16 3.99 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 0.00 165 I 7.09 3.20 1.65 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.32 0.79 0.00 0.00 166 E 8.86 4.04 0.00 2.52 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 167 K 8.07 3.98 0.00 2.06 1.94 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.52 7.81 168 L 7.63 3.99 0.00 1.73 1.65 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.87 3.67 0.00 0.64 0.13 -0.17 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 8.46 4.25 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.77 2.95 0.00 171 E 8.47 4.12 0.00 2.09 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 2.37 2.45 0.00 172 G 8.02 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 0.00 173 E 8.16 4.27 0.00 2.29 2.14 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 2.52 2.50 0.00 174 Q 7.59 4.23 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.