NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4184 8.1627 118.3201 55.0579 33.3760 173.8959 2 M 3.9829 8.1521 120.7192 54.9165 32.0072 174.5025 3 R 4.4049 8.5195 126.1562 56.3882 32.3775 175.2445 4 F 4.8226 6.9671 113.9701 57.4077 39.9434 172.1018 5 M 5.1432 7.9932 117.3605 54.4153 35.9859 173.3210 6 L 5.0267 9.0976 122.8859 53.0575 46.7981 175.6944 7 L 5.0656 9.0997 120.4246 51.9210 44.9110 175.6664 8 F 5.7357 9.4546 118.2911 54.4598 41.7854 174.8025 9 S 4.5195 8.6577 115.4776 56.9705 64.5735 174.2043 10 R 3.3951 7.9992 119.9061 59.4789 29.7492 176.0830 11 Q 4.1552 7.6619 115.8783 54.9615 29.9749 176.4378 12 G 4.0405 8.5498 113.1086 45.5654 0.0000 173.9061 13 K 4.4562 7.6254 118.0239 54.1270 33.9060 176.4901 14 L 4.4985 8.5400 126.7263 55.1921 42.5315 176.3096 15 R 4.6065 9.2421 124.0491 55.6194 32.8674 175.5473 16 L 4.5643 7.0889 117.1285 54.3813 45.2190 172.6149 17 Q 4.9041 8.8048 124.6428 54.4207 31.8970 175.5634 18 K 4.4150 8.0104 122.0965 55.6214 35.4791 174.3533 19 W 5.1207 8.8872 128.3477 55.5174 30.2991 175.8898 20 Y 4.5225 8.6109 122.3406 57.1966 38.3543 175.7815 21 L 4.2237 8.5204 120.0265 54.8714 44.3899 173.8572 22 A 3.8505 7.7597 128.5606 51.4085 19.6061 176.3810 23 T 4.1232 7.5892 115.3433 61.5169 72.0271 174.0423 24 S 4.2033 8.4609 120.1035 57.9590 65.4686 174.3144 25 D 4.2693 8.5760 123.9211 58.0640 40.8680 178.3941 26 K 3.6933 8.1168 117.5338 59.9230 32.0378 178.0779 27 E 3.8359 7.9282 117.3578 60.4920 29.5681 178.8963 28 R 3.3142 7.8760 117.7138 57.9804 29.8233 178.7460 29 K 3.9521 7.8165 117.3237 60.5331 32.5040 177.8997 30 K 3.7215 9.0084 117.8342 59.8148 31.4980 179.3567 31 M 3.7721 8.6065 120.7248 56.2149 32.9503 179.0448 32 V 3.0330 9.3804 112.3922 66.9771 31.6640 178.2342 33 R 3.7155 5.8400 114.0703 59.4651 29.6166 177.9490 34 E 3.8065 8.3759 120.6677 58.6256 29.7669 178.8375 35 L 3.5565 8.4222 121.0950 57.6768 42.0016 179.0597 36 M 4.5922 7.4411 117.7069 58.7426 32.3324 178.1757 37 Q 3.9516 8.3203 119.5553 59.9600 28.9445 178.9822 38 V 3.6814 7.4961 118.6385 65.9929 31.7289 177.3355 39 V 3.5031 8.8556 119.7015 63.4100 31.2595 177.1236 40 L 4.2705 8.3797 119.4380 59.5375 42.4536 180.3191 41 A 3.9940 7.8290 119.9982 54.6401 19.0430 178.1050 42 R 4.2809 8.1409 115.7178 55.3976 31.2425 176.9112 43 K 4.1961 8.4935 121.1344 55.8179 32.6759 176.4824 44 P 4.4458 0.0000 0.0000 65.3717 31.7579 178.0958 45 K 4.0130 8.1865 118.1906 59.7229 32.0852 176.9715 46 M 4.1571 7.0903 114.6659 55.5728 32.0461 174.4703 47 C 4.4976 8.2359 113.8280 58.1048 32.2910 173.1587 48 S 5.4348 8.1128 114.1513 58.7589 64.2263 173.5922 49 F 5.8936 7.9216 118.3416 54.6436 41.8500 174.2448 50 L 4.8589 8.5094 123.8517 53.3275 46.0166 174.8370 51 E 4.9177 8.9016 124.5037 54.8550 30.4733 175.2542 52 W 4.7024 9.1521 135.0000 56.9414 34.1434 175.5580 53 R 2.8853 8.3012 122.7731 57.2776 27.2044 175.0664 54 D 4.8330 7.6801 124.0368 54.5903 42.0418 173.7457 55 L 4.5502 7.8615 117.9986 53.8197 43.4376 175.9410 56 K 4.9111 9.0609 120.7342 55.1527 33.9248 176.3419 57 V 4.4978 8.4760 118.2075 59.9782 34.7535 175.0562 58 V 5.3429 8.9417 121.7356 61.7126 35.3269 173.1271 59 Y 5.9979 8.7054 120.9506 57.4000 40.1524 173.3070 60 K 4.5491 8.5004 120.9685 54.7864 36.3725 174.6415 61 R 4.9544 8.7356 127.0577 55.6786 31.1599 175.2114 62 Y 4.4624 9.6006 125.4863 56.5263 39.4187 175.4568 63 A 3.5964 8.4236 132.4166 53.3940 17.5823 177.8921 64 S 4.3753 8.3899 103.4214 58.9575 63.4282 174.5028 65 L 4.6009 8.1756 122.4179 54.8916 45.7665 174.2567 66 Y 5.5095 9.1477 123.9826 56.5185 40.7753 174.5939 67 F 4.8583 8.8531 121.5234 56.0438 41.8504 174.3081 68 C 6.1646 9.0626 120.6303 57.4256 32.9629 172.6007 69 C 5.3540 8.2845 112.8807 58.6678 32.2740 172.1293 70 A 5.1819 7.8280 120.0348 50.2564 22.1726 175.0667 71 I 5.0298 9.3555 120.2426 58.1715 42.4787 174.2187 72 E 4.3196 8.7564 122.9739 56.2114 29.9430 178.7803 73 G 3.8517 8.5925 114.1538 48.6822 0.0000 173.7361 74 Q 4.2577 7.4262 121.6978 55.2751 28.5548 173.7390 75 D 4.5924 7.3102 115.3570 51.8301 45.2577 174.5248 76 N 4.5545 8.2956 120.0755 52.1876 38.7523 174.8016 77 E 3.5111 8.4031 126.9031 59.8722 29.5017 178.6083 78 L 4.0228 7.9509 116.8137 58.3846 41.5161 179.1108 79 I 3.6321 7.6691 118.7901 64.8992 38.2096 177.4450 80 T 3.9712 7.7321 116.0169 67.0421 68.4067 175.4965 81 L 4.1156 7.9760 121.3149 58.9299 41.8670 178.8379 82 E 4.0751 8.1868 117.9263 59.4398 29.6208 179.2526 83 L 4.1545 8.7972 121.3964 58.7389 42.1493 178.3793 84 I 3.6124 7.8666 117.9227 65.0780 37.1034 177.2943 85 H 3.9997 8.2834 118.6186 59.6440 29.7540 177.3762 86 R 3.8752 9.0464 121.6281 59.6355 30.0958 177.1812 87 Y 4.6244 8.4130 119.3569 61.3019 38.5795 178.4546 88 V 3.2346 7.5773 112.2061 64.9954 31.7239 177.6990 89 E 4.0283 8.1282 117.8582 60.4751 29.2171 178.4283 90 L 3.8462 8.5469 117.4571 57.9847 42.0228 180.0765 91 L 4.2348 8.3072 118.2698 58.6314 41.9519 178.5250 92 D 4.3606 9.2561 118.4277 58.1308 40.8092 177.9915 93 K 4.0718 8.4359 123.0340 58.8315 32.4980 178.2350 94 Y 4.2916 7.8854 119.0398 60.7217 39.0929 176.3904 95 F 4.7079 8.6758 114.5815 55.6709 39.6961 172.3389 96 G 3.6913 8.1123 115.6049 45.2600 0.0000 173.8043 97 S 4.4015 8.8846 117.5862 57.7120 61.3204 172.4393 98 V 3.8910 7.6292 124.1231 62.6132 32.7293 176.0866 99 C 4.5364 9.8579 120.2036 58.8336 34.1941 175.6629 100 E 3.1685 7.8551 122.6848 56.1587 32.0956 179.1324 101 L 3.7932 7.4134 118.0501 58.1129 43.2176 178.6648 102 D 4.4488 8.5549 118.8428 58.0663 40.3382 179.2463 103 I 3.7792 7.9598 119.6701 64.9174 36.9627 178.6332 104 I 3.6890 7.5013 118.9849 64.3770 37.2293 178.0750 105 F 4.2082 8.5430 117.2919 59.2816 38.9219 175.9096 106 N 5.4965 8.6711 115.9017 52.8932 40.1566 176.5493 107 F 4.3803 8.7894 116.1274 61.4418 37.8482 177.2080 108 E 3.3594 8.7576 116.7828 58.6321 29.6350 178.9384 109 K 4.5228 9.4125 119.6647 59.2244 32.5380 179.2582 110 A 4.2858 8.3822 120.2723 56.4654 18.4511 178.2165 111 Y 3.8751 9.4690 115.4867 60.5762 37.5616 179.6196 112 F 4.1235 7.7553 117.4298 61.1393 39.2737 177.8752 113 I 3.5146 8.4022 117.8582 65.3203 37.0703 177.5170 114 L 3.8607 8.7507 120.3731 58.9768 41.9724 179.1494 115 D 4.3293 8.7363 118.6754 57.0392 41.2347 177.8777 116 E 4.7659 8.7303 117.6428 56.1815 30.9745 176.3036 117 F 4.9536 9.4109 122.4692 59.1469 41.5047 174.7468 118 L 5.0428 7.7056 117.7139 53.1564 44.3930 175.3777 119 M 4.8402 8.7394 120.4630 55.1418 35.6614 174.9788 120 G 4.1169 9.9536 111.9468 46.8536 0.0000 173.8943 121 G 3.7028 9.8790 103.1374 45.5436 0.0000 173.0387 122 D 4.7094 7.9832 119.1881 53.1703 44.7617 173.6256 123 V 4.2579 8.1480 120.2330 62.3026 31.8637 176.0906 124 Q 4.3368 8.8410 125.9365 57.6841 29.3091 174.8655 125 D 4.8087 7.8257 116.4342 53.7391 45.0482 174.5746 126 T 4.3925 8.2036 107.0170 62.5733 71.0703 173.3747 127 S 3.9900 8.1859 116.7647 58.1613 62.3097 174.3385 128 K 3.7481 8.9425 128.1953 59.7780 32.2829 179.6604 129 K 3.9157 8.3608 117.3687 60.1834 32.7131 179.3960 130 S 4.0001 8.5502 113.6339 61.9546 62.4102 175.8889 131 V 3.6105 7.9977 121.3783 65.7955 31.1254 177.5709 132 L 3.6697 8.5572 115.1327 57.9962 41.8715 180.5926 133 K 4.3481 8.7683 118.3159 59.7625 32.4646 178.2215 134 A 3.9997 8.2635 121.5121 54.5897 18.0884 179.1232 135 I 3.5726 8.1796 117.1093 64.9212 38.4562 176.9953 136 E 4.0873 9.0177 120.0341 59.1504 28.7950 178.3385 137 Q 3.9803 8.4513 117.1226 59.2489 29.0524 179.3936 138 A 3.9817 8.1271 121.4150 55.4141 18.4005 179.0039 139 D 4.3016 8.0766 116.7570 57.8030 41.0325 179.3492 140 L 3.9463 7.4609 118.1141 57.8212 41.4052 179.3590 141 L 3.8849 7.6909 118.7996 58.3272 42.2970 178.1613 142 Q 4.0198 8.1355 118.7428 59.6152 28.7649 178.2375 143 E 3.9464 8.2935 119.0020 59.7782 29.5116 179.3168 144 E 4.4009 7.8471 116.6586 57.6884 29.4694 178.4753 145 D 4.5190 8.3689 119.7070 56.8835 41.2838 177.8532 146 E 4.3279 8.0588 118.1569 57.7380 30.2609 176.5822 147 S 4.5447 7.8453 118.0414 55.7279 62.5657 171.9071 148 P 4.2936 0.0000 0.0000 63.0728 30.5679 177.8253 *149 R 4.1254 7.6975 119.6646 57.2526 30.0134 177.2644 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 M 8.16 4.42 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 2 M 8.15 3.98 0.00 1.54 1.68 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.01 0.00 3 R 8.52 4.40 0.00 1.74 1.27 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 4 F 6.97 4.82 0.00 2.85 3.33 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 5 M 7.99 5.14 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.50 0.00 6 L 9.10 5.03 0.00 1.06 0.97 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.10 5.07 0.00 1.51 1.35 0.71 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.45 5.74 0.00 3.08 2.93 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 9 S 8.66 4.52 0.00 3.90 4.02 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 10 R 8.00 3.40 0.00 1.51 1.84 0.00 2.88 0.00 0.00 2.96 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 11 Q 7.66 4.16 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 12 G 8.55 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 13 K 7.63 4.46 0.00 1.78 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.32 7.81 14 L 8.54 4.50 0.00 1.63 1.60 0.93 0.84 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 15 R 9.24 4.61 0.00 1.81 1.88 0.00 3.40 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 16 L 7.09 4.56 0.00 1.69 1.39 -0.09 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.80 4.90 0.00 1.66 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.41 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 18 K 8.01 4.41 0.00 1.85 1.68 0.00 1.54 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.58 1.75 7.81 19 W 8.89 5.12 0.00 3.24 3.25 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 20 Y 8.61 4.52 0.00 3.02 3.05 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 21 L 8.52 4.22 0.00 1.69 1.70 0.97 1.12 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 22 A 7.76 3.85 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 23 T 7.59 4.12 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 0.92 0.00 0.00 24 S 8.46 4.20 0.00 3.94 3.80 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 25 D 8.58 4.27 0.00 2.64 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 26 K 8.12 3.69 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 27 E 7.93 3.84 0.00 2.00 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 2.32 2.38 0.00 28 R 7.88 3.31 0.00 1.80 1.31 0.00 2.71 0.00 0.00 2.25 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 29 K 7.82 3.95 0.00 1.90 1.92 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.57 1.53 7.81 30 K 9.01 3.72 0.00 1.86 1.89 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.73 7.81 31 M 8.61 3.77 0.00 2.32 2.48 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 3.05 0.00 32 V 9.38 3.03 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 0.99 0.00 0.00 1.12 0.00 0.00 33 R 5.84 3.72 0.00 2.09 2.15 0.00 2.88 0.00 0.00 3.20 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.71 0.00 34 E 8.38 3.81 0.00 2.22 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 0.00 2.36 2.45 0.00 35 L 8.42 3.56 0.00 1.61 1.33 -0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 36 M 7.44 4.59 0.00 2.45 2.30 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.69 0.00 37 Q 8.32 3.95 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 38 V 7.50 3.68 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 0.80 0.00 0.00 0.91 0.00 0.00 39 V 8.86 3.50 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 40 L 8.38 4.27 0.00 1.91 1.93 0.99 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.83 3.99 1.43 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 42 R 8.14 4.28 0.00 1.92 1.95 0.00 3.15 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 43 K 8.49 4.20 0.00 1.80 1.75 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.39 7.81 44 P 0.00 4.45 0.00 2.16 2.19 0.00 3.78 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 1.98 1.98 0.00 45 K 8.19 4.01 0.00 1.77 1.91 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.46 7.81 46 M 7.09 4.16 0.00 2.12 2.14 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 2.79 2.53 0.00 47 C 8.24 4.50 0.00 2.90 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 48 S 8.11 5.43 0.00 3.24 4.19 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 49 F 7.92 5.89 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 50 L 8.51 4.86 0.00 1.61 1.41 0.87 1.12 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 51 E 8.90 4.92 0.00 1.93 1.91 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 2.27 2.33 0.00 52 W 9.15 4.70 0.00 3.28 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 53 R 8.30 2.89 0.00 0.67 0.66 0.00 2.96 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.14 0.00 54 D 7.68 4.83 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.86 4.55 0.00 1.57 1.57 0.82 0.81 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 56 K 9.06 4.91 0.00 1.54 1.60 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.32 7.81 57 V 8.48 4.50 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.01 0.00 0.00 58 V 8.94 5.34 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 1.66 0.00 0.00 0.89 0.00 0.00 59 Y 8.71 6.00 0.00 2.91 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 60 K 8.50 4.55 0.00 1.96 1.94 0.00 1.87 0.00 0.00 2.12 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.50 7.81 61 R 8.74 4.95 0.00 2.08 1.90 0.00 3.35 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 62 Y 9.60 4.46 0.00 3.16 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 63 A 8.42 3.60 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 64 S 8.39 4.38 0.00 3.88 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 65 L 8.18 4.60 0.00 1.70 1.66 0.82 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.15 5.51 0.00 2.83 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 67 F 8.85 4.86 0.00 2.96 2.93 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 68 C 9.06 6.16 0.00 2.80 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 69 C 8.28 5.35 0.00 2.87 2.96 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 70 A 7.83 5.18 0.71 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 0.00 0.00 71 I 9.36 5.03 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.33 0.87 0.00 0.00 72 E 8.76 4.32 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 73 G 8.59 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 74 Q 7.43 4.26 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 75 D 7.31 4.59 0.00 2.75 2.33 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 76 N 8.30 4.55 0.00 2.78 2.66 0.00 0.00 6.85 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 77 E 8.40 3.51 0.00 1.32 1.12 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 1.54 2.00 0.00 78 L 7.95 4.02 0.00 1.73 1.78 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.67 3.63 2.01 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 1.64 0.62 0.93 0.00 0.00 80 T 7.73 3.97 4.41 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 1.17 0.00 0.00 81 L 7.98 4.12 0.00 1.95 2.00 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.19 4.08 0.00 2.25 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 0.00 2.42 2.53 0.00 83 L 8.80 4.15 0.00 1.69 1.94 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.87 3.61 1.92 0.00 0.00 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 1.77 0.86 0.56 0.00 0.00 85 H 8.28 4.00 0.00 3.29 3.52 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 9.05 3.88 0.00 2.10 2.34 0.00 3.12 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 87 Y 8.41 4.62 0.00 3.10 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 88 V 7.58 3.23 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 -0.27 0.00 0.00 1.05 0.00 0.00 89 E 8.13 4.03 0.00 2.36 2.17 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 2.32 2.47 0.00 90 L 8.55 3.85 0.00 2.03 1.73 0.80 0.90 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 91 L 8.31 4.23 0.00 1.70 1.64 -0.34 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 92 D 9.26 4.36 0.00 2.78 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 93 K 8.44 4.07 0.00 1.86 1.91 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.49 7.81 94 Y 7.89 4.29 0.00 2.99 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 95 F 8.68 4.71 0.00 3.00 3.15 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 0.00 96 G 8.11 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 97 S 8.88 4.40 0.00 4.09 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 98 V 7.63 3.89 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 0.72 0.00 0.00 0.47 0.00 0.00 99 C 9.86 4.54 0.00 2.88 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 0.00 100 E 7.86 3.17 0.00 2.05 1.80 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 2.35 2.33 0.00 101 L 7.41 3.79 0.00 1.84 1.63 1.07 1.11 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 0.00 102 D 8.55 4.45 0.00 2.41 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 0.00 103 I 7.96 3.78 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.30 0.92 0.00 0.00 104 I 7.50 3.69 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 1.59 0.76 0.67 0.00 0.00 105 F 8.54 4.21 0.00 3.14 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 0.00 106 N 8.67 5.50 0.00 3.18 3.19 0.00 0.00 6.55 7.97 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 0.00 107 F 8.79 4.38 0.00 3.55 3.41 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 0.00 108 E 8.76 3.36 0.00 2.50 2.15 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 2.81 2.84 0.00 109 K 9.41 4.52 0.00 2.31 2.07 0.00 1.93 0.00 0.00 1.91 0.00 0.00 3.14 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.65 1.77 7.81 110 A 8.38 4.29 1.57 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 0.00 111 Y 9.47 3.88 0.00 2.92 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.76 4.12 0.00 3.40 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 0.00 113 I 8.40 3.51 2.32 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.43 1.18 0.00 0.00 114 L 8.75 3.86 0.00 1.10 1.63 0.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.74 4.33 0.00 2.67 2.90 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 0.00 116 E 8.73 4.77 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 117 F 9.41 4.95 0.00 2.77 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.71 5.04 0.00 1.48 1.37 0.41 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.74 4.84 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 120 G 9.95 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 121 G 9.88 3.70 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 0.00 0.00 0.00 122 D 7.98 4.71 0.00 2.63 2.52 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 0.00 123 V 8.15 4.26 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 1.02 0.00 0.00 0.87 0.00 0.00 124 Q 8.84 4.34 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.41 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 125 D 7.83 4.81 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 4.39 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 1.27 0.00 0.00 127 S 8.19 3.99 0.00 3.87 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 0.00 128 K 8.94 3.75 0.00 1.83 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.46 7.81 129 K 8.36 3.92 0.00 1.81 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.42 7.81 130 S 8.55 4.00 0.00 3.85 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 0.00 131 V 8.00 3.61 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 0.93 0.00 0.00 0.79 0.00 0.00 132 L 8.56 3.67 0.00 1.79 1.64 1.06 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.77 4.35 0.00 2.02 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.61 7.81 134 A 8.26 4.00 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 0.00 135 I 8.18 3.57 1.93 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 1.20 0.62 0.98 0.00 0.00 136 E 9.02 4.09 0.00 2.09 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 2.32 2.38 0.00 137 Q 8.45 3.98 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 138 A 8.13 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 0.00 139 D 8.08 4.30 0.00 2.94 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 0.00 140 L 7.46 3.95 0.00 1.95 1.73 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.69 3.88 0.00 1.61 1.81 0.92 0.65 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 0.00 142 Q 8.14 4.02 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 143 E 8.29 3.95 0.00 2.21 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 2.33 2.37 0.00 144 E 7.85 4.40 0.00 2.13 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 2.34 2.35 0.00 145 D 8.37 4.52 0.00 2.83 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 0.00 146 E 8.06 4.33 0.00 1.95 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 2.29 2.46 0.00 147 S 7.85 4.54 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.29 0.00 2.17 2.14 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 *149 R 7.70 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.