NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1694 8.0249 120.7873 60.8690 39.1800 174.6965 3 Q 4.4845 8.3668 123.9652 52.3516 32.4660 173.2404 4 S 4.9463 9.1678 116.4438 56.6677 67.1334 173.1515 5 Q 4.5618 8.7943 121.7689 54.9108 29.9315 175.8760 6 I 4.4300 8.1575 110.9860 60.1668 38.8862 174.6893 7 N 4.8876 7.8285 120.3444 51.1299 40.8571 174.8051 8 R 3.9702 8.6007 123.5938 59.1976 29.4134 178.2849 9 N 4.3213 8.6437 117.6723 56.1749 38.5118 177.2677 10 I 3.6876 7.4564 121.0638 64.6304 37.2550 178.7396 11 R 4.0344 7.9042 118.1285 58.9058 29.9623 178.9312 12 L 4.0263 8.1477 119.2241 57.6489 41.5553 179.1060 13 D 4.3534 8.4496 119.3957 57.2240 40.6867 178.5212 14 L 3.9339 7.9149 120.4020 58.0566 41.9987 178.7791 15 A 4.1140 8.1849 120.7763 55.4168 18.3123 179.3301 16 D 4.2954 8.2124 117.1163 57.4773 40.8876 178.9411 17 A 4.0374 8.0908 121.3501 55.0639 18.3609 179.7673 18 I 3.6774 8.1739 118.8152 64.6288 37.2308 178.7286 19 L 4.1524 8.3054 120.1395 57.4472 41.3244 179.3843 20 L 3.9349 8.0229 120.5333 58.0795 42.0214 178.9086 21 S 4.0250 8.1127 113.0885 61.2191 62.3647 175.7632 22 K 3.7233 8.4543 122.4789 59.7344 31.8547 178.5343 23 A 3.9767 8.0343 120.7279 54.9887 18.0518 179.6965 24 K 3.9256 8.0195 116.3289 59.3921 32.2609 178.9324 25 K 4.1351 8.1055 115.7396 55.6941 33.1500 176.0284 26 D 4.2709 7.6051 118.4784 55.0938 40.0382 172.8838 27 L 4.7796 7.6840 117.4919 53.4356 44.2133 177.7379 28 S 4.5444 8.6674 116.9444 57.1801 66.1166 175.5803 29 F 4.1968 8.3453 121.1934 60.5551 38.6775 177.7371 30 A 4.0794 8.1256 120.2981 55.2761 18.0716 179.3672 31 E 4.0463 8.2810 114.7842 59.2876 29.8386 179.0232 32 I 3.8507 7.5879 120.1734 64.2154 37.4628 177.8268 33 A 4.2181 8.2585 121.6534 53.5951 18.2945 177.3678 34 D 4.5136 7.5733 117.3507 55.9737 41.5875 176.5286 35 G 4.0547 9.0683 115.2617 45.5576 0.0000 174.2039 36 T 4.0232 7.7540 108.6831 62.2457 69.2279 176.2325 37 G 3.9609 8.3334 109.1956 45.3028 0.0000 172.9699 38 L 4.6905 7.5228 118.8916 52.1952 44.3438 176.9535 39 A 4.1972 8.3538 123.9348 51.9155 20.2711 178.5755 40 E 3.9391 8.8936 121.1992 59.8373 29.5295 179.6625 41 A 3.8978 7.9964 121.0646 54.5142 18.3849 179.3147 42 F 3.9350 8.0240 118.9173 61.3730 39.6011 177.6171 43 V 3.5787 8.1076 117.9803 66.2338 31.3373 178.1277 44 T 3.7423 8.1675 115.5182 66.5080 68.2307 176.3916 45 A 3.8291 7.7780 122.4308 55.0380 18.3285 179.5623 46 A 4.1673 7.6688 120.5200 54.7930 18.2249 179.6617 47 L 3.9754 7.8388 116.5158 57.8237 41.7792 178.9028 48 L 4.4636 7.5289 115.8919 54.5386 41.7236 177.5405 49 G 3.9473 8.1427 107.4242 45.4591 0.0000 174.2963 50 Q 4.5182 8.2111 116.4183 55.4752 30.0395 174.8307 51 Q 4.6231 7.4267 115.9137 54.3638 33.8700 172.9703 52 A 4.9140 8.4545 121.8035 50.4139 21.0711 176.4931 53 L 4.5813 8.7470 122.4675 53.0593 43.4160 175.3183 54 P 4.4440 0.0000 0.0000 62.7077 32.3056 177.1756 55 A 3.9988 8.7554 121.8178 55.7780 18.2389 180.0173 56 D 4.2849 8.1156 116.5720 57.3478 40.8664 178.7794 57 A 3.9920 8.0016 120.6900 55.0344 18.4305 179.3338 58 A 3.9680 8.2751 119.4977 55.3744 18.4707 180.0449 59 R 3.8486 8.2887 116.8468 59.1977 30.1306 178.9186 60 L 3.9455 8.0572 120.0552 58.5467 42.1553 179.6364 61 V 3.8155 8.3306 112.7270 64.0589 31.3228 178.8679 62 G 3.6078 8.4073 105.7803 47.8024 0.0000 175.6764 63 A 4.0098 8.1814 123.3720 54.7567 18.1599 179.8514 64 K 3.9528 7.9745 116.2338 58.7994 32.1570 178.5328 65 L 4.4712 7.6811 116.0834 52.9995 42.5951 175.7194 66 D 4.3340 7.5615 117.5824 55.0847 40.1378 173.5641 67 L 4.3423 7.9570 117.0957 54.0471 43.0542 177.6733 68 D 4.7388 8.2131 121.5197 52.6231 42.2651 177.2926 69 E 3.9921 8.5272 118.2450 59.5280 29.3147 179.3007 70 D 4.3877 8.0463 118.6983 57.3648 40.9183 178.7961 71 S 4.1444 8.6834 116.0897 61.5858 62.6151 176.7394 72 I 3.7455 7.7462 121.7573 64.2059 37.1027 177.9405 73 L 4.2557 8.1323 121.3208 58.1373 41.7016 179.0144 74 L 4.0469 7.9439 118.1782 57.7239 41.7353 179.2446 75 L 4.1495 8.0478 118.7502 56.6977 42.5614 177.3904 76 Q 4.8524 7.4394 119.5506 53.8016 27.4359 175.1294 *78 I 4.0907 7.2963 119.1833 60.3562 39.2281 175.0700 79 P 4.6347 0.0000 0.0000 62.4202 32.6533 176.2988 80 L 4.3136 8.3329 123.5995 54.2639 41.6536 176.4740 81 R 4.1896 8.4706 125.2655 55.5261 30.9910 175.0813 82 G 3.0757 8.2159 108.6400 44.7806 0.0000 173.2212 83 C 4.3051 8.1381 122.6334 58.6650 30.6284 174.2292 84 I 4.0461 7.4516 121.9602 60.4685 37.6386 174.9693 85 D 4.4795 8.8670 125.4562 57.1003 41.4125 176.6832 86 D 4.6193 7.2866 116.2325 53.2949 41.5643 173.8118 87 R 4.1647 8.2406 126.7513 56.5880 29.1981 176.7326 88 I 4.0269 7.1741 115.9476 58.3453 38.9284 174.0438 89 P 4.4311 0.0000 0.0000 62.9308 31.7951 176.4375 90 T 4.2332 8.2939 111.0594 62.8785 69.8367 174.9244 91 D 4.5314 7.9622 121.8514 53.1661 42.2229 173.9800 92 P 4.4860 0.0000 0.0000 66.2482 31.5369 178.8720 93 T 3.8639 7.5728 108.3946 65.0693 67.9975 174.2324 *95 Y 4.6826 7.8774 125.0518 57.7126 40.4518 177.3302 96 R 3.9421 8.0225 117.7643 59.2504 30.0511 178.7337 97 F 4.1564 7.9329 116.4710 60.4722 39.2239 176.5661 98 Y 4.1423 7.9258 118.8674 60.1829 38.8370 178.3726 99 E 4.0421 8.0061 122.6776 55.6691 29.2895 178.4649 *101 L 4.2097 7.9430 119.0878 54.6578 43.9375 179.6444 102 Q 3.7931 7.6263 116.8346 58.4392 28.4935 178.5171 103 V 3.6980 7.7014 118.5422 64.8826 32.0965 176.7776 104 Y 4.7220 7.5130 113.0970 57.5507 38.6433 177.6114 105 G 3.6562 8.2761 109.5016 48.0605 0.0000 176.2459 106 T 4.0082 7.8300 111.6676 64.7457 68.8738 176.8752 107 T 3.9188 7.9008 118.2331 66.3814 68.4873 176.4879 108 L 4.0048 8.4482 121.4576 57.4992 41.5795 179.3883 109 K 3.7875 8.1631 119.2929 59.5449 32.1613 178.6842 110 A 4.0302 8.2262 121.1474 55.2876 18.2758 179.6468 111 L 4.0029 8.3746 117.8826 57.5554 41.6006 179.7976 112 V 3.8112 8.0863 118.6422 66.5133 31.4588 177.8793 113 H 4.9846 8.2696 117.3331 58.3490 28.2906 177.4958 114 E 3.9235 8.1972 120.2618 59.3745 29.6275 178.7526 115 K 3.9586 8.3359 117.5366 58.2014 32.1583 178.2159 116 F 4.2195 8.9878 116.1126 60.2374 40.9562 175.2045 117 G 3.9807 7.5527 102.6738 43.3744 0.0000 172.3214 118 D 4.6562 8.5987 118.9657 54.9536 42.2588 175.0300 119 G 4.2727 8.1493 109.3469 45.0173 0.0000 172.7268 120 I 4.7859 8.3857 113.8631 59.2453 41.7454 174.6382 121 I 4.5792 8.1114 123.8115 59.9454 38.0088 175.8991 122 S 4.2198 9.1375 122.9612 58.3419 62.8487 173.7123 123 A 3.9581 8.4666 127.4515 51.9778 19.2776 176.9299 124 I 4.2991 8.0140 116.7113 63.4202 39.1487 176.8269 125 N 4.7736 7.8123 122.8636 52.0978 37.7931 172.2256 126 F 5.3833 8.0648 122.7440 56.6495 42.8359 172.3928 127 K 4.5712 8.0309 123.5514 55.3228 36.3667 174.5911 128 L 5.5554 8.1977 119.6631 53.8356 43.8908 174.6026 129 D 4.7820 8.3497 117.5402 52.1576 43.1835 173.8249 130 V 4.8424 8.3166 119.0690 61.1601 33.7407 174.7229 131 K 4.7599 9.0719 126.7400 54.4455 36.0000 174.8159 132 K 4.9130 8.5900 124.0382 55.0888 33.9030 175.7006 133 V 4.5847 8.7626 126.1852 60.6565 35.0888 174.4465 134 A 4.3812 8.7378 129.0467 52.1756 19.2696 176.2422 135 D 4.6360 8.9799 121.6146 52.3974 42.2329 175.8924 136 P 4.2196 0.0000 0.0000 65.5171 31.4528 176.9480 137 E 4.2200 8.5796 115.7764 55.8181 29.8027 176.4551 138 G 4.0378 8.4221 107.8451 45.6526 0.0000 175.4550 139 G 3.8408 9.2854 107.7181 43.8931 0.0000 171.7535 140 E 5.1799 8.3041 116.4013 54.7059 33.5899 175.4978 141 R 4.8210 9.2186 120.2327 54.4068 34.4237 174.2031 142 A 5.0263 8.5612 123.0368 50.5759 20.9372 176.5517 143 V 4.2534 8.7651 123.0739 61.3243 33.6132 174.3923 144 I 4.8731 8.4577 129.0848 59.9300 39.4034 175.1941 145 T 4.5006 8.7130 124.5352 61.9119 70.3716 173.5961 146 L 4.6686 8.5316 127.1567 53.4541 43.2817 175.9102 147 D 4.6389 8.5763 123.6788 52.4042 43.5707 174.1878 148 G 4.6617 8.5431 111.9946 43.8338 0.0000 170.7115 149 K 4.3499 8.8655 124.2289 56.1267 33.6272 175.3197 150 Y 4.7612 8.6094 128.3627 57.4360 39.7038 174.2653 151 L 4.4849 8.4929 127.2310 51.9756 44.2787 174.3266 152 P 4.4850 0.0000 0.0000 62.8059 32.7135 175.9847 153 T 4.5032 8.5465 119.0292 62.3277 69.6976 174.2113 154 K 4.7703 8.4771 125.3601 53.3910 35.4839 174.6121 155 P 4.3932 0.0000 0.0000 62.8773 31.9464 176.7186 156 F 4.5101 7.6906 114.6281 57.1916 37.9492 174.4615 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 I 8.02 4.17 1.88 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.37 4.48 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.17 4.95 0.00 3.91 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 5 Q 8.79 4.56 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 6 I 8.16 4.43 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 1.30 0.66 0.91 0.00 0.00 7 N 7.83 4.89 0.00 2.76 2.67 0.00 0.00 6.93 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 8 R 8.60 3.97 0.00 2.06 2.29 0.00 3.11 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.64 4.32 0.00 2.85 2.91 0.00 0.00 6.85 6.73 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 10 I 7.46 3.69 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 1.52 1.12 0.91 0.00 0.00 11 R 7.90 4.03 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.52 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 12 L 8.15 4.03 0.00 1.69 1.71 0.91 0.87 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 13 D 8.45 4.35 0.00 2.91 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 14 L 7.91 3.93 0.00 1.79 1.82 0.92 1.19 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 15 A 8.18 4.11 1.44 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 0.00 0.00 16 D 8.21 4.30 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 17 A 8.09 4.04 1.37 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 0.00 0.00 0.00 18 I 8.17 3.68 2.05 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 1.53 0.60 0.95 0.00 0.00 19 L 8.31 4.15 0.00 1.83 1.75 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.02 3.93 0.00 1.77 1.80 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.11 4.03 0.00 3.93 3.95 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 22 K 8.45 3.72 0.00 1.77 1.89 0.00 1.16 0.00 0.00 1.19 0.00 0.00 2.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.23 7.81 23 A 8.03 3.98 1.37 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 0.00 0.00 0.00 24 K 8.02 3.93 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 25 K 8.11 4.14 0.00 1.74 1.82 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.44 1.53 7.81 26 D 7.61 4.27 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 27 L 7.68 4.78 0.00 1.55 1.46 0.88 0.60 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 28 S 8.67 4.54 0.00 4.04 3.95 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 29 F 8.35 4.20 0.00 3.14 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 30 A 8.13 4.08 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 31 E 8.28 4.05 0.00 2.13 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 0.00 2.55 2.32 0.00 32 I 7.59 3.85 1.93 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 1.43 0.58 0.96 0.00 0.00 33 A 8.26 4.22 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 0.00 0.00 0.00 0.00 0.00 34 D 7.57 4.51 0.00 2.76 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 35 G 9.07 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 36 T 7.75 4.02 4.29 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 1.30 0.00 0.00 37 G 8.33 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 38 L 7.52 4.69 0.00 1.74 1.66 1.07 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.35 4.20 1.30 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 0.00 0.00 40 E 8.89 3.94 0.00 2.25 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 2.38 2.40 0.00 41 A 8.00 3.90 1.33 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 42 F 8.02 3.94 0.00 3.19 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 43 V 8.11 3.58 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 1.13 0.00 0.00 1.13 0.00 0.00 44 T 8.17 3.74 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 0.27 0.00 0.00 45 A 7.78 3.83 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 46 A 7.67 4.17 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 47 L 7.84 3.98 0.00 1.83 1.85 1.13 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.53 4.46 0.00 1.54 1.64 0.75 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.14 3.95 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 0.00 0.00 0.00 50 Q 8.21 4.52 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 51 Q 7.43 4.62 0.00 1.37 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.03 1.49 0.00 52 A 8.45 4.91 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 53 L 8.75 4.58 0.00 1.64 1.65 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.44 0.00 2.20 2.01 0.00 3.72 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 55 A 8.76 4.00 1.33 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 56 D 8.12 4.28 0.00 2.71 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 57 A 8.00 3.99 1.37 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 0.00 0.00 0.00 58 A 8.28 3.97 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 0.00 0.00 0.00 0.00 0.00 59 R 8.29 3.85 0.00 2.00 2.00 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 60 L 8.06 3.95 0.00 2.05 1.76 0.93 0.93 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 61 V 8.33 3.82 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 0.82 0.00 0.00 1.04 0.00 0.00 62 G 8.41 3.61 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 0.00 0.00 0.00 63 A 8.18 4.01 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 K 7.97 3.95 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.64 7.81 65 L 7.68 4.47 0.00 1.70 1.66 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.56 4.33 0.00 2.67 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 L 7.96 4.34 0.00 1.67 1.58 0.93 1.28 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 68 D 8.21 4.74 0.00 2.94 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 69 E 8.53 3.99 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 70 D 8.05 4.39 0.00 2.76 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 71 S 8.68 4.14 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 3.75 2.00 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 1.56 0.56 0.92 0.00 0.00 73 L 8.13 4.26 0.00 1.85 1.83 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.94 4.05 0.00 1.84 1.72 0.92 0.86 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 75 L 8.05 4.15 0.00 1.89 1.73 0.93 1.13 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 76 Q 7.44 4.85 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.40 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 *78 I 7.30 4.09 1.88 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 1.42 0.77 0.92 0.00 0.00 79 P 0.00 4.63 0.00 2.11 2.04 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 80 L 8.33 4.31 0.00 1.81 1.65 0.91 0.93 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 81 R 8.47 4.19 0.00 1.82 1.81 0.00 3.25 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 82 G 8.22 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 0.00 0.00 0.00 83 C 8.14 4.31 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 84 I 7.45 4.05 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 0.88 0.00 0.00 85 D 8.87 4.48 0.00 2.61 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 86 D 7.29 4.62 0.00 2.58 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 87 R 8.24 4.16 0.00 1.97 2.03 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.17 4.03 1.74 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.57 0.00 0.00 89 P 0.00 4.43 0.00 2.18 2.04 0.00 3.35 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 90 T 8.29 4.23 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 1.19 0.00 0.00 91 D 7.96 4.53 0.00 2.68 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 92 P 0.00 4.49 0.00 2.26 2.12 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 93 T 7.57 3.86 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 1.35 0.00 0.00 *95 Y 7.88 4.68 0.00 3.20 3.20 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 96 R 8.02 3.94 0.00 1.54 1.74 0.00 3.40 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 97 F 7.93 4.16 0.00 3.08 3.16 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 0.00 0.00 0.00 0.00 98 Y 7.93 4.14 0.00 2.93 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 E 8.01 4.04 0.00 1.96 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 2.28 2.36 0.00 *101 L 7.94 4.21 0.00 1.62 1.58 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.63 3.79 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 1.66 2.28 0.00 103 V 7.70 3.70 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 0.15 0.00 0.00 0.84 0.00 0.00 104 Y 7.51 4.72 0.00 3.01 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 0.00 105 G 8.28 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 0.00 106 T 7.83 4.01 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 1.20 0.00 0.00 107 T 7.90 3.92 4.62 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 1.33 0.00 0.00 108 L 8.45 4.00 0.00 1.86 1.72 0.95 0.86 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 0.00 109 K 8.16 3.79 0.00 1.83 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.46 7.81 110 A 8.23 4.03 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 0.00 111 L 8.37 4.00 0.00 1.72 1.76 0.94 0.77 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 0.00 112 V 8.09 3.81 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 1.03 0.00 0.00 0.90 0.00 0.00 113 H 8.27 4.98 0.00 3.25 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.20 3.92 0.00 2.04 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 0.00 2.29 2.34 0.00 115 K 8.34 3.96 0.00 1.42 1.27 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.59 7.81 116 F 8.99 4.22 0.00 2.53 1.45 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 0.00 0.00 0.00 0.00 117 G 7.55 3.98 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 0.00 0.00 0.00 118 D 8.60 4.66 0.00 2.72 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 0.00 119 G 8.15 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 0.00 0.00 0.00 0.00 120 I 8.39 4.79 1.85 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 1.17 0.93 0.91 0.00 0.00 121 I 8.11 4.58 1.81 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.68 0.94 0.00 0.00 122 S 9.14 4.22 0.00 3.82 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 0.00 123 A 8.47 3.96 0.99 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 0.00 124 I 8.01 4.30 1.88 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 1.16 0.96 0.93 0.00 0.00 125 N 7.81 4.77 0.00 2.79 2.75 0.00 0.00 6.52 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 0.00 126 F 8.06 5.38 0.00 3.13 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 0.00 127 K 8.03 4.57 0.00 1.62 1.67 0.00 1.23 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.12 1.18 7.81 128 L 8.20 5.56 0.00 1.69 1.40 1.01 0.84 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 0.00 129 D 8.35 4.78 0.00 2.66 2.70 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 0.00 130 V 8.32 4.84 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.07 4.76 0.00 1.67 1.65 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.48 7.81 132 K 8.59 4.91 0.00 1.78 1.71 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.43 7.81 133 V 8.76 4.58 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 0.85 0.00 0.00 0.94 0.00 0.00 134 A 8.74 4.38 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 0.00 135 D 8.98 4.64 0.00 2.68 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 0.00 136 P 0.00 4.22 0.00 2.08 2.11 0.00 3.72 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 2.03 2.12 0.00 137 E 8.58 4.22 0.00 2.07 1.99 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 2.32 2.25 0.00 138 G 8.42 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 9.29 3.84 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 0.00 0.00 0.00 140 E 8.30 5.18 0.00 1.82 1.82 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 2.21 2.32 0.00 141 R 9.22 4.82 0.00 1.67 1.78 0.00 3.23 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.56 5.03 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 0.00 143 V 8.77 4.25 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 1.04 0.00 0.00 0.94 0.00 0.00 144 I 8.46 4.87 2.01 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.98 0.00 0.00 145 T 8.71 4.50 4.42 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 1.18 0.00 0.00 146 L 8.53 4.67 0.00 1.65 1.96 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.58 4.64 0.00 2.58 2.40 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 0.00 148 G 8.54 4.66 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 0.00 149 K 8.87 4.35 0.00 1.93 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.46 7.81 150 Y 8.61 4.76 0.00 2.48 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 0.00 151 L 8.49 4.48 0.00 1.41 1.35 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.49 0.00 2.04 1.94 0.00 3.45 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 153 T 8.55 4.50 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 1.32 0.00 0.00 154 K 8.48 4.77 0.00 1.76 1.73 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 155 P 0.00 4.39 0.00 2.02 1.92 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 156 F 7.69 4.51 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.