NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6619 8.3649 120.3123 52.9006 41.3028 177.1400 6 F 4.2617 8.3421 119.8058 57.5359 39.3906 171.2721 7 E 3.9062 9.4301 122.7707 59.3856 30.4312 176.3742 8 E 3.6891 8.1750 120.9649 56.2146 27.3700 171.6471 9 K 4.5675 9.1795 125.2909 54.3314 34.8581 174.1199 10 M 4.3544 8.6886 127.4819 56.3121 33.0602 173.5377 11 I 3.8638 9.6035 128.0906 61.9965 36.9577 176.4029 12 L 4.5765 8.3022 125.8706 54.9060 45.2579 175.7644 13 I 5.7087 8.1522 122.7143 60.7915 41.2185 174.2119 14 R 4.6982 8.8062 122.3692 53.9132 33.4657 174.7983 15 R 4.3291 7.9421 117.9839 54.2158 29.4398 173.9222 16 T 3.9133 7.4000 109.5681 62.6943 69.1538 172.4975 17 A 4.5312 7.7465 121.3420 51.8847 22.1461 174.7452 18 R 4.6124 7.9750 114.8885 55.5206 33.4044 173.7118 19 M 4.9715 8.0102 116.8634 53.8176 35.9310 175.2982 20 Q 4.3797 8.5833 117.9894 55.2847 32.8398 172.9622 21 A 4.0760 8.5350 126.6776 53.1703 19.4060 176.2713 22 G 4.3551 8.8230 109.7392 43.7656 0.0000 174.4286 23 G 3.9072 6.8181 106.0482 45.8626 0.0000 170.9510 24 R 4.8030 8.0956 117.1074 54.5396 32.3055 176.1111 25 R 4.4373 7.8833 118.2778 54.6006 33.9478 175.6811 26 F 4.7724 8.8034 122.6923 57.0534 40.9525 174.5816 27 R 4.7000 7.7741 115.7903 56.1177 32.4502 173.5889 28 F 5.2723 9.3121 123.8659 55.8373 42.6006 174.6897 29 G 5.2890 9.0314 106.9376 44.1019 0.0000 171.5839 30 A 5.1734 8.6213 122.0824 49.9173 22.7928 174.7308 31 L 4.4862 8.9122 125.6759 53.5830 43.5886 175.0765 32 V 4.9210 8.5369 127.4031 61.0374 34.1063 174.2685 33 V 4.6979 8.7937 128.4068 61.3390 33.5793 174.5522 34 V 4.6548 8.9683 127.2616 61.2476 34.8114 174.3649 35 G 5.0167 8.4774 112.4380 45.2055 0.0000 172.8686 36 D 5.0219 9.0197 118.5247 52.3192 40.2988 176.6068 37 R 4.1246 8.1495 117.7680 57.8950 27.9121 176.5567 38 Q 4.4559 9.8665 113.8513 55.3572 30.7031 176.0163 39 G 4.1253 8.1056 106.0500 45.0193 0.0000 173.4370 40 R 5.5772 8.2055 118.7132 53.4133 33.2631 174.9524 41 V 4.9136 8.2805 116.0096 59.8865 36.8607 174.5854 42 G 4.5747 9.2468 108.9267 44.1081 0.0000 171.2025 43 L 5.1052 8.4852 125.4941 52.9206 44.2542 175.6829 44 G 4.2869 8.9975 112.7017 44.3932 0.0000 170.7736 45 F 5.3183 9.0491 125.9554 56.2651 41.5148 174.9088 46 G 4.2572 9.6133 114.5790 44.7129 0.0000 171.7538 47 K 5.2336 8.5782 126.4057 54.7648 33.4199 176.2553 48 A 4.7355 9.3340 125.6218 50.1663 22.5424 175.2537 49 P 4.3617 0.0000 0.0000 65.3495 31.8606 175.9918 50 E 4.2467 7.7550 116.7242 53.1202 32.7718 175.2023 51 V 3.4420 7.4213 120.6005 65.5151 31.3991 175.8189 52 P 4.1487 0.0000 0.0000 66.0273 31.3036 178.1244 53 L 3.9145 8.0216 116.3383 58.1211 41.6209 179.6300 54 A 4.0544 8.0834 120.1880 55.2445 18.3522 179.8045 55 V 3.5577 8.1756 117.1216 66.1235 31.6802 177.7672 56 Q 3.9566 8.7401 119.5917 59.3041 28.9522 178.0657 57 K 3.8855 8.6358 120.5561 59.7651 32.1599 178.4100 58 A 4.3843 8.8069 121.2854 55.1832 18.3484 179.6573 59 G 3.7278 8.4408 104.6767 48.1616 0.0000 175.2563 60 Y 4.2308 7.9786 121.5853 60.9092 38.6860 177.6077 61 Y 3.8085 7.5679 115.8621 61.5399 38.1917 177.5525 62 A 3.8841 8.8647 122.0407 54.4107 17.9923 179.2631 63 R 3.8087 7.9982 117.9238 58.9846 30.7613 178.9831 64 R 4.0351 7.7548 113.3816 55.7185 30.1503 175.4159 65 N 4.2290 7.9136 112.2851 53.6512 42.6672 173.4523 66 M 5.1705 8.3419 124.8077 55.0999 36.1496 173.8583 67 V 4.5112 8.3061 117.1280 61.1563 35.2287 173.6245 68 E 4.4570 8.6803 121.6207 55.2391 29.6839 175.6481 69 V 3.7810 9.9714 127.3877 61.2732 32.3550 176.2629 70 P 4.5259 0.0000 0.0000 62.4741 30.5351 176.4044 71 L 3.9284 8.4221 120.2457 55.2286 40.9060 177.8470 72 Q 4.3026 8.7761 125.0220 54.7402 28.2607 175.4522 73 N 4.2810 9.1497 125.2161 54.5679 37.1223 175.4380 74 G 3.9965 8.2461 104.9452 45.7708 0.0000 172.8901 75 T 4.6443 7.2756 114.8789 60.5279 68.4504 172.0919 76 I 4.7724 7.9214 118.5830 58.5972 40.2043 175.6653 77 P 4.2805 0.0000 0.0000 65.0330 31.4893 175.1630 78 H 4.4753 7.0530 112.5686 55.2155 31.3634 172.4467 79 E 5.3906 9.0021 119.2151 54.6951 30.4645 176.0630 80 I 4.8451 8.1691 116.2014 59.2959 41.9974 173.6558 81 E 5.1982 8.6054 120.6685 54.7452 33.3113 175.3868 82 V 4.3623 8.7371 123.1302 61.2982 34.9982 173.9461 83 E 4.8278 8.9816 127.9380 54.4030 29.8444 176.7022 84 F 4.5793 8.7461 132.7467 57.3709 38.5028 175.8596 85 G 3.7224 8.0170 109.9248 46.2012 0.0000 172.5489 86 A 4.0081 8.1723 120.0858 54.7409 19.4205 179.5566 87 S 4.8307 7.9899 108.9265 57.2288 65.4293 172.4242 88 K 5.1836 8.4816 121.4218 54.0907 36.3209 174.5494 89 I 4.6977 7.9436 120.8759 60.0936 41.5745 173.2027 90 V 5.0502 8.7661 121.8991 59.5463 35.2088 174.5921 91 L 5.1881 8.8869 123.7645 52.9350 45.3269 175.6309 92 K 5.0339 9.4385 123.7772 53.3965 35.6699 174.1149 93 P 4.5792 0.0000 0.0000 63.5175 31.7912 175.1423 94 A 4.8949 8.4568 123.3369 50.1657 22.2125 174.9892 95 A 4.5900 8.2951 120.4902 49.8289 20.6415 175.5116 96 P 4.8675 0.0000 0.0000 63.6140 31.8469 176.3510 97 G 3.8441 8.9881 108.7155 47.5941 0.0000 174.4405 98 T 4.2513 8.5009 117.2113 61.9514 70.5700 176.1107 99 G 3.8178 8.2449 108.5699 43.9756 0.0000 172.0765 100 V 4.4837 8.0056 118.7422 61.2381 31.7148 175.4962 101 I 4.3069 8.1269 122.6785 60.0331 37.9381 174.6027 102 A 4.6158 7.6009 127.7609 50.6754 22.6986 175.6316 103 G 3.6873 8.5935 108.2526 44.7450 0.0000 173.2341 104 A 3.8098 8.0057 118.7802 55.9066 17.6446 179.5136 105 V 3.4784 7.8029 113.7046 65.4376 32.0259 176.6523 106 P 4.2114 0.0000 0.0000 66.2200 30.6694 178.1284 107 R 3.7910 7.9905 117.3762 59.1895 29.9614 178.2171 108 A 3.8910 7.9036 119.8534 55.2596 18.4852 179.0385 109 I 3.9662 7.5046 118.0967 63.8948 37.7042 178.1307 110 L 4.0270 7.8785 119.4156 57.7746 41.5602 179.8625 111 E 3.9114 8.3860 118.8927 59.5592 29.5631 179.2986 112 L 4.1344 7.8809 117.6739 57.1184 41.8339 179.0518 113 A 4.0959 7.8984 121.1143 53.1124 18.5436 177.8282 114 G 4.4262 8.0091 105.5577 46.4791 0.0000 173.8594 115 V 4.5558 7.5331 117.4158 61.1235 34.0502 174.9468 116 T 4.4368 8.9924 122.6096 63.7552 70.7876 173.4135 117 D 4.8573 7.7013 120.2260 52.4009 43.9939 174.0972 118 I 4.8554 8.1827 122.8156 59.6288 41.9112 172.9196 119 L 5.0598 9.3759 129.5529 53.4306 43.5335 175.6569 120 T 5.6258 8.2467 111.3905 60.1344 72.7428 172.6128 121 K 4.6886 8.4892 123.1713 54.9632 36.2799 174.3616 122 E 4.8685 8.8370 125.9118 54.9751 30.8466 175.2208 123 L 4.6421 8.1924 123.0911 53.6465 45.5423 177.7441 124 G 3.9268 8.6577 107.3788 45.5078 0.0000 173.5149 125 S 4.1781 7.8824 117.2564 59.0063 62.8080 174.8717 126 R 4.4127 8.2566 123.2986 55.8518 31.6604 175.9652 127 N 4.0848 7.7393 114.6523 54.8018 39.7154 172.0854 128 P 3.9930 0.0000 0.0000 66.2739 31.4637 177.9759 129 I 3.6507 7.8072 117.3041 65.4428 37.4806 177.9530 130 N 4.5141 8.3302 116.6731 56.4367 38.3682 177.7668 131 I 3.7214 8.2441 121.3484 64.8796 37.2675 177.4477 132 A 3.9247 8.7068 121.2540 55.4937 17.8866 178.9265 133 Y 3.6648 8.6728 112.7848 60.8263 37.8650 179.5036 134 A 3.8830 7.4622 120.3634 55.4514 18.7970 179.1434 135 T 3.9781 8.3911 114.6577 68.1475 68.5515 175.6084 136 M 3.8608 8.1443 119.4286 58.1165 31.6242 177.7803 137 E 3.8142 8.0177 124.4895 58.9088 30.5296 179.4135 138 A 4.1310 8.0060 120.7462 55.6953 18.8574 179.3780 139 L 3.9861 7.6212 117.1434 58.0885 41.4621 179.8722 140 R 4.0295 7.9608 116.9375 58.5237 30.0124 177.2108 141 Q 4.5305 7.9743 116.9103 54.8035 29.6907 174.9629 142 L 4.6657 7.2469 120.1813 53.7668 42.8847 176.6958 143 R 4.6187 8.4456 120.9658 54.6735 34.1229 175.2842 144 T 4.3143 8.4883 112.9974 60.4545 69.9798 175.5325 145 K 3.8197 8.7152 122.9389 58.4928 32.1558 178.5413 146 A 4.0109 8.0362 119.0007 53.7338 17.7008 178.3731 147 D 4.3016 9.3124 126.5584 55.3109 39.8513 179.4511 148 V 3.4511 7.6448 119.3577 66.1486 31.7453 177.7183 149 E 3.9365 8.4259 118.6223 59.3928 29.1423 179.1586 150 R 4.0402 7.3779 117.2326 58.4136 30.1049 177.3439 151 L 4.4868 7.8579 117.0853 55.2881 44.1528 177.3934 152 R 4.5475 7.3723 118.9720 54.8467 29.6156 176.1087 153 K 4.5011 7.4796 129.9376 56.2732 32.3943 179.9081 154 G 4.8945 8.4754 120.7073 47.9146 0.0000 172.5135 *155 E 4.1319 7.8148 117.8452 56.1142 30.4399 177.6636 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 5 D 8.36 4.66 0.00 2.76 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 6 F 8.34 4.26 0.00 3.05 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.43 3.91 0.00 2.00 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 0.00 2.34 2.31 0.00 8 E 8.18 3.69 0.00 2.16 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 2.22 2.30 0.00 9 K 9.18 4.57 0.00 1.79 1.60 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.34 7.81 10 M 8.69 4.35 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 11 I 9.60 3.86 1.89 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 1.08 0.66 0.88 0.00 0.00 12 L 8.30 4.58 0.00 1.64 1.40 0.91 0.88 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 13 I 8.15 5.71 1.91 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 1.06 0.91 1.03 0.00 0.00 14 R 8.81 4.70 0.00 1.85 2.02 0.00 2.96 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 1.67 1.66 0.00 15 R 7.94 4.33 0.00 1.49 1.71 0.00 2.27 0.00 0.00 2.89 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 16 T 7.40 3.91 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 1.25 0.00 0.00 17 A 7.75 4.53 0.91 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 0.00 0.00 18 R 7.98 4.61 0.00 1.72 1.96 0.00 2.67 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.72 0.00 19 M 8.01 4.97 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 20 Q 8.58 4.38 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 21 A 8.54 4.08 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 22 G 8.82 4.36 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 0.00 23 G 6.82 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 0.00 0.00 0.00 24 R 8.10 4.80 0.00 1.52 1.73 0.00 3.04 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.11 0.00 25 R 7.88 4.44 0.00 1.60 1.79 0.00 3.09 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 26 F 8.80 4.77 0.00 2.81 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 27 R 7.77 4.70 0.00 1.83 1.76 0.00 3.22 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 28 F 9.31 5.27 0.00 3.08 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 29 G 9.03 5.29 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 0.00 30 A 8.62 5.17 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 31 L 8.91 4.49 0.00 1.29 1.40 0.84 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.54 4.92 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 0.92 0.00 0.00 0.94 0.00 0.00 33 V 8.79 4.70 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 0.85 0.00 0.00 0.87 0.00 0.00 34 V 8.97 4.65 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 0.63 0.00 0.00 0.90 0.00 0.00 35 G 8.48 5.02 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 0.00 0.00 0.00 36 D 9.02 5.02 0.00 2.87 3.28 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 37 R 8.15 4.12 0.00 2.03 2.09 0.00 3.13 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 38 Q 9.87 4.46 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.13 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 39 G 8.11 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 40 R 8.21 5.58 0.00 1.99 1.86 0.00 3.41 0.00 0.00 3.58 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 41 V 8.28 4.91 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 0.78 0.00 0.00 0.87 0.00 0.00 42 G 9.25 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.49 5.11 0.00 1.46 1.32 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.00 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 0.00 0.00 0.00 0.00 45 F 9.05 5.32 0.00 3.16 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 46 G 9.61 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 0.00 0.00 0.00 0.00 47 K 8.58 5.23 0.00 1.60 1.77 0.00 1.38 0.00 0.00 1.46 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.16 7.81 48 A 9.33 4.74 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.36 0.00 2.11 2.26 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 50 E 7.76 4.25 0.00 1.91 1.64 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 2.14 2.14 0.00 51 V 7.42 3.44 1.93 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 1.03 0.00 0.00 0.43 0.00 0.00 52 P 0.00 4.15 0.00 2.15 2.06 0.00 3.55 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 2.06 2.15 0.00 53 L 8.02 3.91 0.00 1.90 1.79 0.89 0.84 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 54 A 8.08 4.05 1.58 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 0.00 0.00 55 V 8.18 3.56 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 1.10 0.00 0.00 1.02 0.00 0.00 56 Q 8.74 3.96 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 57 K 8.64 3.89 0.00 2.26 2.20 0.00 1.86 0.00 0.00 1.99 0.00 0.00 3.29 0.00 0.00 3.19 0.00 0.00 0.00 0.00 2.14 1.68 7.81 58 A 8.81 4.38 1.54 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 59 G 8.44 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.98 4.23 0.00 2.93 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 61 Y 7.57 3.81 0.00 3.03 2.91 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 62 A 8.86 3.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 3.81 0.00 1.88 2.11 0.00 3.30 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 64 R 7.75 4.04 0.00 1.46 1.83 0.00 2.81 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.00 65 N 7.91 4.23 0.00 2.67 2.52 0.00 0.00 6.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.34 5.17 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 67 V 8.31 4.51 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 0.59 0.00 0.00 0.90 0.00 0.00 68 E 8.68 4.46 0.00 1.99 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 0.00 2.23 2.29 0.00 69 V 9.97 3.78 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 0.91 0.00 0.00 0.95 0.00 0.00 70 P 0.00 4.53 0.00 2.09 2.08 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 71 L 8.42 3.93 0.00 1.49 1.67 1.05 0.93 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 72 Q 8.78 4.30 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.27 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 73 N 9.15 4.28 0.00 2.85 2.88 0.00 0.00 7.29 7.98 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 74 G 8.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.28 4.64 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 1.30 0.00 0.00 76 I 7.92 4.77 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 1.41 1.25 0.94 0.00 0.00 77 P 0.00 4.28 0.00 2.44 2.20 0.00 3.85 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 2.08 2.00 0.00 78 H 7.05 4.48 0.00 3.33 3.27 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.00 5.39 0.00 1.86 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 2.27 2.21 0.00 80 I 8.17 4.85 1.87 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 1.28 0.77 0.86 0.00 0.00 81 E 8.61 5.20 0.00 1.82 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 0.00 2.21 2.29 0.00 82 V 8.74 4.36 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 1.08 0.00 0.00 0.97 0.00 0.00 83 E 8.98 4.83 0.00 1.92 1.93 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 2.26 2.31 0.00 84 F 8.75 4.58 0.00 2.96 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.02 3.72 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 0.00 0.00 0.00 86 A 8.17 4.01 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 87 S 7.99 4.83 0.00 3.90 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 88 K 8.48 5.18 0.00 1.82 1.73 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.21 7.81 89 I 7.94 4.70 1.89 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 1.35 0.93 0.96 0.00 0.00 90 V 8.77 5.05 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 0.76 0.00 0.00 0.99 0.00 0.00 91 L 8.89 5.19 0.00 1.56 1.49 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.44 5.03 0.00 1.61 1.65 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.34 7.81 93 P 0.00 4.58 0.00 2.07 2.22 0.00 3.71 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 1.99 2.00 0.00 94 A 8.46 4.89 1.26 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 0.00 0.00 0.00 95 A 8.30 4.59 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 96 P 0.00 4.87 0.00 2.05 2.02 0.00 3.81 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 97 G 8.99 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 98 T 8.50 4.25 4.36 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 1.21 0.00 0.00 99 G 8.24 3.82 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 0.00 0.00 0.00 100 V 8.01 4.48 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 0.85 0.00 0.00 1.00 0.00 0.00 101 I 8.13 4.31 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 1.16 0.96 0.91 0.00 0.00 102 A 7.60 4.62 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 0.00 103 G 8.59 3.69 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 0.00 0.00 0.00 104 A 8.01 3.81 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 0.00 105 V 7.80 3.48 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 1.06 0.00 0.00 0.91 0.00 0.00 106 P 0.00 4.21 0.00 2.29 2.31 0.00 3.62 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 2.28 2.19 0.00 107 R 7.99 3.79 0.00 1.89 2.25 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 108 A 7.90 3.89 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 0.00 109 I 7.50 3.97 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.86 0.00 0.00 110 L 7.88 4.03 0.00 1.71 1.73 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.39 3.91 0.00 1.99 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 2.54 0.00 112 L 7.88 4.13 0.00 1.67 1.72 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.90 4.10 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 0.00 114 G 8.01 4.43 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 0.00 0.00 0.00 115 V 7.53 4.56 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 0.87 0.00 0.00 0.95 0.00 0.00 116 T 8.99 4.44 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 1.21 0.00 0.00 117 D 7.70 4.86 0.00 2.53 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 0.00 118 I 8.18 4.86 1.86 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 1.33 1.08 0.90 0.00 0.00 119 L 9.38 5.06 0.00 1.72 1.55 0.92 -0.41 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 0.00 120 T 8.25 5.63 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 1.23 0.00 0.00 121 K 8.49 4.69 0.00 1.84 1.61 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.52 7.81 122 E 8.84 4.87 0.00 1.89 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 2.24 2.32 0.00 123 L 8.19 4.64 0.00 1.61 1.53 0.93 0.70 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 0.00 124 G 8.66 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 0.00 125 S 7.88 4.18 0.00 3.83 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 0.00 126 R 8.26 4.41 0.00 1.79 1.90 0.00 3.34 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 127 N 7.74 4.08 0.00 2.85 2.77 0.00 0.00 6.99 7.59 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 0.00 128 P 0.00 3.99 0.00 2.18 1.99 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 129 I 7.81 3.65 2.01 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.93 1.05 0.00 0.00 130 N 8.33 4.51 0.00 2.91 3.10 0.00 0.00 7.17 7.23 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 0.00 131 I 8.24 3.72 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.37 0.92 0.00 0.00 132 A 8.71 3.92 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 0.00 133 Y 8.67 3.66 0.00 2.40 1.52 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 0.00 134 A 7.46 3.88 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 0.00 0.00 135 T 8.39 3.98 4.34 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 1.17 0.00 0.00 136 M 8.14 3.86 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 137 E 8.02 3.81 0.00 2.02 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 2.35 2.59 0.00 138 A 8.01 4.13 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 0.00 139 L 7.62 3.99 0.00 1.70 1.72 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.96 4.03 0.00 1.77 2.12 0.00 3.38 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 141 Q 7.97 4.53 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.49 0.00 0.00 0.00 0.00 0.00 2.34 2.77 0.00 142 L 7.25 4.67 0.00 1.80 1.62 0.89 0.50 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 0.00 143 R 8.45 4.62 0.00 1.69 1.76 0.00 3.37 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 144 T 8.49 4.31 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 1.22 0.00 0.00 145 K 8.72 3.82 0.00 1.76 1.91 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.48 7.81 146 A 8.04 4.01 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 0.00 147 D 9.31 4.30 0.00 2.91 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 0.00 148 V 7.64 3.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 149 E 8.43 3.94 0.00 2.10 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 2.66 2.46 0.00 150 R 7.38 4.04 0.00 1.86 2.15 0.00 3.24 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 151 L 7.86 4.49 0.00 1.84 1.69 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.37 4.55 0.00 1.83 1.88 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 153 K 7.48 4.50 0.00 1.74 1.58 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.37 7.81 154 G 8.48 4.89 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 0.00 0.00 0.00 *155 E 7.81 4.13 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.