NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5288 8.1633 120.2818 55.1640 33.9478 173.7956 2 K 4.6321 8.4802 124.5535 54.9519 33.8341 171.1862 3 V 4.8677 10.1132 119.5072 59.7741 36.6873 174.8728 4 I 4.5996 9.5650 125.4393 59.7195 37.9873 175.3798 5 L 4.4178 8.5213 127.7400 55.2522 42.3725 177.2196 6 L 4.3630 8.3482 120.8341 56.9104 42.7423 177.9953 7 E 4.3872 8.0034 116.8069 55.9271 30.6220 173.4487 8 P 5.6485 0.0000 0.0000 61.3352 33.9876 174.0163 9 L 4.7964 8.1148 117.4464 52.9988 46.8896 175.4603 10 E 3.9792 8.8333 120.9861 57.5101 30.0447 177.2658 11 N 4.0967 8.8365 120.4619 54.0405 38.4828 173.8979 12 L 4.2295 7.9684 113.7196 56.3142 42.3748 174.0668 13 G 4.0299 8.2609 111.3840 46.5259 0.0000 170.4562 14 D 4.5664 7.8380 128.8872 52.8725 40.1562 177.4798 15 V 3.7464 8.3396 118.2396 62.1380 32.0550 178.1048 16 G 3.9900 8.7750 107.8205 46.2011 0.0000 174.0979 17 Q 4.1678 7.6644 121.3307 55.8919 30.6316 175.2085 18 V 4.4879 8.3604 125.2771 61.7329 32.0505 175.0186 19 V 4.6572 8.5373 128.3231 59.7614 34.5759 174.1850 20 D 5.3591 8.6003 121.6995 52.2005 40.9198 175.6588 21 V 4.6498 8.9817 116.1860 58.7122 36.3827 175.5339 22 K 4.0840 8.6522 120.8649 56.3523 32.6512 176.4246 23 P 4.3339 0.0000 0.0000 65.7556 31.3486 178.6572 24 G 3.6795 8.1682 103.7818 47.9485 0.0000 174.4754 25 Y 4.3073 8.1137 122.1387 61.0851 38.6408 177.7022 26 A 3.9053 8.2926 120.7456 55.2737 18.1767 179.1648 27 R 3.9132 8.1385 116.4673 58.7089 30.5225 178.0301 28 N 4.9939 8.0566 112.1683 53.8372 39.8967 174.1466 29 Y 4.3904 8.1584 120.2829 57.5748 41.5812 176.7535 30 L 3.6320 7.2531 119.7675 57.9001 42.8450 178.9331 31 L 4.0186 7.6317 122.4026 57.9764 42.3694 177.5207 32 P 4.3415 0.0000 0.0000 65.7763 31.6933 178.6978 33 R 4.1164 8.2054 117.2831 57.0767 29.0566 177.6505 34 G 3.9916 8.1557 103.4214 46.4242 0.0000 175.3607 35 L 3.7897 7.6244 118.2462 55.9232 41.9498 175.9590 36 A 4.8369 6.7382 118.5206 52.0855 22.7818 175.2621 37 V 4.5138 7.9489 115.9288 61.3037 35.4979 174.7365 38 L 4.1148 8.4732 124.3408 53.9828 42.3259 177.6305 39 A 4.5209 8.9338 126.1722 51.9728 16.7743 178.4478 40 T 4.0100 7.7937 111.5570 61.9030 70.1232 175.2046 41 E 3.8092 9.0107 123.8299 59.7723 29.8052 178.3833 42 S 4.0497 7.7663 112.3803 59.7142 62.4726 176.1783 43 N 4.1013 8.4326 116.3241 56.2986 39.2951 176.0006 44 L 3.8074 8.7529 121.4446 58.2563 41.8035 179.9786 45 K 4.0065 8.3263 117.9167 59.8634 32.6409 178.7666 46 A 4.2235 7.5440 121.7923 54.2584 18.1147 179.4182 47 L 3.9252 7.6718 118.7419 58.3345 42.0854 178.4496 48 E 3.9631 8.2589 116.3922 60.2028 29.6861 178.3167 49 A 3.9542 8.6668 120.9331 54.2210 18.3662 179.4775 50 R 3.8468 8.0590 114.3061 59.4123 30.4008 179.2068 51 I 3.7393 8.1565 118.2031 64.2620 37.2627 178.3514 52 R 4.1063 8.1091 116.3691 59.6798 29.8078 178.1903 53 A 3.7221 7.9486 120.2167 54.9745 17.9999 178.7333 54 Q 4.1338 8.4981 116.4890 58.8542 29.0053 179.1411 55 A 4.2375 8.0102 120.7626 53.1699 19.0224 178.3535 56 K 4.4051 8.2243 115.0632 57.1042 33.3940 177.7900 57 R 4.1843 7.7630 120.2539 58.6128 30.1038 176.5941 58 L 4.4050 7.3602 117.0519 55.1515 41.7855 176.2694 59 A 4.8126 7.7194 118.7490 52.0769 19.7981 177.5943 60 E 4.5973 7.8875 120.4455 57.8036 31.6523 177.3787 61 R 4.2632 8.0593 115.2509 57.1196 30.5523 176.5881 62 K 4.5529 8.0675 117.5304 55.8733 32.5013 175.7668 63 A 4.6732 7.9261 120.0523 51.7449 20.9329 177.7275 64 E 4.4719 7.8018 113.1866 56.9516 31.3399 177.2769 65 A 4.5363 8.0221 119.3398 52.4417 18.4102 177.1947 66 E 4.6658 8.0136 114.0825 56.3999 31.4724 176.6022 67 R 4.6519 7.7065 117.1168 55.6046 30.2873 176.2736 68 L 4.6243 7.5618 119.2602 55.2694 44.3551 177.4696 69 K 4.2574 8.1552 117.7217 57.5108 32.2903 177.0114 70 E 4.3981 8.0444 115.8312 56.8115 30.6667 176.0900 71 I 4.3275 7.6487 111.4877 60.6679 39.3237 176.7128 72 L 4.6638 7.3580 117.6240 54.6690 42.7791 176.7040 73 E 4.3560 7.6787 118.1498 57.2757 29.9332 175.9185 74 N 4.7562 7.9229 112.7198 55.3122 40.6155 174.5842 75 L 4.1567 7.5362 119.4713 54.9814 42.8622 176.5475 76 T 4.7178 8.1790 117.1493 60.4071 71.3956 171.9844 77 L 4.3680 7.7242 116.2452 57.0265 43.7341 174.2616 78 T 3.4614 8.1079 118.3670 63.4227 68.2778 171.4243 79 I 4.5063 8.9663 127.0130 58.5962 40.6456 174.4155 80 P 4.7498 0.0000 0.0000 62.0974 28.6576 174.8732 81 V 4.0054 7.7263 118.7515 60.9895 32.9032 175.3062 82 R 3.8504 8.6216 129.0302 57.0867 30.7471 175.0858 83 A 3.2331 7.7968 127.4989 50.7228 22.4232 176.4946 84 G 4.2403 7.7548 106.5424 44.7789 0.0000 174.6208 85 E 3.8330 8.0264 129.5395 57.4563 26.9945 176.0838 86 T 3.8546 8.4796 122.5462 67.9262 68.7837 172.9962 87 K 4.3874 7.8340 120.9555 56.1432 33.0398 176.2117 88 I 3.9010 8.2463 127.1687 62.6438 37.6968 174.0679 89 Y 4.1777 8.6944 124.0456 60.0354 37.3498 176.9751 90 G 3.9544 8.9737 116.2252 45.9352 0.0000 174.4568 91 S 4.3668 8.8605 121.8269 58.8237 63.6085 175.1083 92 V 4.4076 7.8098 123.0413 59.6930 30.7749 177.9196 93 T 4.4871 8.7478 127.1090 61.9859 70.1235 176.6300 94 A 4.5537 8.9840 118.0326 53.1501 20.3191 178.7883 95 K 3.8055 7.9074 116.6188 59.8712 32.0941 178.4205 96 D 4.5855 8.2274 118.5238 57.5809 40.5619 178.4930 97 I 3.6834 7.7509 118.8201 64.8490 37.2366 177.7250 98 A 3.9270 8.9019 122.1415 55.7089 18.2999 178.6545 99 E 3.8237 8.9665 116.7423 60.0979 29.3932 178.4569 100 A 4.2384 8.6998 118.1797 52.6125 18.6231 177.8620 101 L 4.3161 7.4591 122.8843 57.4963 43.2946 178.4439 102 S 4.9620 8.2223 114.3743 60.0889 62.0558 175.1019 103 R 4.6509 7.4271 115.2598 55.6206 32.5345 175.2691 104 Q 4.3631 8.2169 118.4600 57.3311 30.0566 175.6062 105 H 4.6564 8.3175 112.6584 55.4285 31.1247 174.8525 106 G 4.6303 8.5228 107.0814 45.5971 0.0000 173.0423 107 V 4.4541 8.0669 117.3144 61.0367 35.0815 173.8490 108 T 4.7605 8.2102 121.4117 61.8705 70.1180 173.9311 109 I 4.5177 7.8679 117.6785 60.2466 40.6088 173.0349 110 D 4.8463 8.6710 120.3719 52.2092 41.6570 176.3326 111 P 4.6202 0.0000 0.0000 63.7888 30.6941 176.7916 112 K 4.4759 8.2878 118.9305 57.5373 34.4115 177.9518 113 R 4.1117 8.0132 114.3879 56.8287 30.0005 177.3580 114 L 4.2008 7.7139 118.9709 56.3230 41.7214 177.5436 115 A 3.6160 7.8658 118.5300 53.1256 15.6214 178.0513 116 L 4.2403 7.8460 123.3775 54.8296 40.5087 175.8357 117 E 3.9595 8.3145 121.2343 58.2004 30.0024 177.7280 118 K 4.6175 7.4591 119.1803 52.7436 35.0368 175.5723 119 P 4.2139 0.0000 0.0000 63.3746 31.6133 178.2062 120 I 2.9738 7.9217 122.1796 59.7678 35.5465 173.5427 121 K 3.7286 9.1430 123.6584 57.0084 30.6450 175.7170 122 E 4.6947 7.9988 115.1580 55.3354 31.8988 174.5730 123 L 4.1156 7.9668 127.6171 54.8902 42.5732 178.5721 124 G 3.5254 6.7772 105.8767 45.1605 0.0000 171.6182 125 E 4.7513 7.7219 120.2822 55.0165 29.8526 174.3527 126 Y 4.4814 9.0099 122.9953 56.4035 39.4036 175.9788 127 V 4.5849 8.1228 127.4275 60.8494 29.3757 176.4722 128 L 4.8010 8.0260 135.0000 53.9308 43.7828 178.9136 129 T 4.2946 8.2303 120.2451 64.3084 72.0539 172.6755 130 Y 4.9599 8.3682 128.4900 58.5678 41.3859 173.8491 131 K 4.2615 6.8702 116.5350 55.9714 35.1590 174.3148 132 P 5.0147 0.0000 0.0000 63.2667 34.6874 176.3305 133 H 3.8176 8.6500 114.4997 55.7204 30.1755 174.2877 134 P 4.1397 0.0000 0.0000 61.7578 30.1568 175.1745 135 E 4.2181 8.3257 122.5123 56.6675 30.2986 178.4316 136 V 4.5629 7.8022 119.9146 60.2399 32.8569 169.9675 137 P 4.7989 0.0000 0.0000 63.3586 31.9783 176.5804 138 I 4.5034 8.4016 125.3095 60.2796 39.3601 173.9831 139 Q 5.1385 8.4547 123.0757 54.3676 32.5353 173.5814 140 L 4.8510 9.5974 126.8303 53.3569 45.6974 175.4320 141 K 4.8078 8.4772 124.5937 53.0551 32.8319 173.4004 142 V 4.0294 8.1891 115.5522 61.9346 33.0799 175.3481 143 S 4.5354 9.4168 122.0106 56.9870 65.3248 172.5523 144 V 4.1606 7.9794 121.5385 61.5972 33.7599 171.1001 145 V 2.9538 8.0594 127.8368 62.1370 32.2906 171.8770 *146 A 4.1219 8.5660 128.1177 52.5102 18.7144 175.8622 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 4.53 0.00 2.00 2.39 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 2 K 8.48 4.63 0.00 1.77 1.74 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.49 7.81 3 V 10.11 4.87 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 0.79 0.00 0.00 1.06 0.00 0.00 4 I 9.57 4.60 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 1.23 0.64 0.91 0.00 0.00 5 L 8.52 4.42 0.00 1.66 1.61 1.01 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.35 4.36 0.00 1.54 1.66 0.92 0.89 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 7 E 8.00 4.39 0.00 1.84 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 2.31 2.37 0.00 8 P 0.00 5.65 0.00 2.06 2.03 0.00 3.37 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 1.90 1.81 0.00 9 L 8.11 4.80 0.00 1.91 1.62 1.04 0.98 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 10 E 8.83 3.98 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 11 N 8.84 4.10 0.00 2.84 2.86 0.00 0.00 6.89 7.78 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 12 L 7.97 4.23 0.00 1.83 1.75 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.26 4.03 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 0.00 0.00 0.00 14 D 7.84 4.57 0.00 2.85 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 15 V 8.34 3.75 2.30 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 0.94 0.00 0.00 0.95 0.00 0.00 16 G 8.78 3.99 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 0.00 17 Q 7.66 4.17 0.00 2.33 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 18 V 8.36 4.49 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 0.89 0.00 0.00 0.94 0.00 0.00 19 V 8.54 4.66 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 0.85 0.00 0.00 0.96 0.00 0.00 20 D 8.60 5.36 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.98 4.65 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 0.83 0.00 0.00 1.08 0.00 0.00 22 K 8.65 4.08 0.00 1.87 1.81 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.53 7.81 23 P 0.00 4.33 0.00 2.18 2.14 0.00 3.63 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 2.14 2.22 0.00 24 G 8.17 3.68 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 0.00 0.00 0.00 25 Y 8.11 4.31 0.00 2.99 3.14 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 0.00 0.00 0.00 26 A 8.29 3.91 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 27 R 8.14 3.91 0.00 1.95 2.05 0.00 3.13 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 28 N 8.06 4.99 0.00 2.88 2.86 0.00 0.00 6.71 6.75 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 29 Y 8.16 4.39 0.00 2.75 2.23 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 30 L 7.25 3.63 0.00 1.58 1.53 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.63 4.02 0.00 1.76 1.72 0.90 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.34 0.00 2.00 2.05 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 33 R 8.21 4.12 0.00 1.46 1.65 0.00 2.21 0.00 0.00 2.75 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.29 0.00 34 G 8.16 3.99 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 0.00 35 L 7.62 3.79 0.00 1.67 1.69 0.75 0.72 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 36 A 6.74 4.84 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 37 V 7.95 4.51 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 0.98 0.00 0.00 0.92 0.00 0.00 38 L 8.47 4.11 0.00 1.55 1.59 0.92 0.80 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 39 A 8.93 4.52 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 40 T 7.79 4.01 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 1.29 0.00 0.00 41 E 9.01 3.81 0.00 1.98 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 0.00 2.33 2.33 0.00 42 S 7.77 4.05 0.00 3.85 3.65 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 43 N 8.43 4.10 0.00 2.78 2.84 0.00 0.00 6.80 6.74 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 44 L 8.75 3.81 0.00 1.84 1.75 0.98 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.33 4.01 0.00 1.99 2.06 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.45 7.81 46 A 7.54 4.22 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 47 L 7.67 3.93 0.00 1.80 1.95 0.92 0.86 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 48 E 8.26 3.96 0.00 2.08 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 2.33 2.35 0.00 49 A 8.67 3.95 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 50 R 8.06 3.85 0.00 1.98 2.04 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 51 I 8.16 3.74 2.01 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 1.58 0.74 0.91 0.00 0.00 52 R 8.11 4.11 0.00 2.07 2.17 0.00 2.81 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 2.00 1.64 0.00 53 A 7.95 3.72 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 54 Q 8.50 4.13 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 55 A 8.01 4.24 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 56 K 8.22 4.41 0.00 1.84 1.91 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.68 7.81 57 R 7.76 4.18 0.00 1.90 1.95 0.00 3.17 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 58 L 7.36 4.41 0.00 1.84 1.62 0.90 0.96 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 59 A 7.72 4.81 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 60 E 7.89 4.60 0.00 2.17 1.90 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 2.19 2.29 0.00 61 R 8.06 4.26 0.00 1.82 2.00 0.00 3.27 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 62 K 8.07 4.55 0.00 1.71 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.38 7.81 63 A 7.93 4.67 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 64 E 7.80 4.47 0.00 2.14 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 2.54 2.38 0.00 65 A 8.02 4.54 1.27 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 66 E 8.01 4.67 0.00 1.92 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 2.20 2.24 0.00 67 R 7.71 4.65 0.00 1.73 1.90 0.00 3.38 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 68 L 7.56 4.62 0.00 1.62 1.77 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.16 4.26 0.00 1.95 1.78 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.63 7.81 70 E 8.04 4.40 0.00 1.97 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 2.30 2.25 0.00 71 I 7.65 4.33 1.87 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 1.60 0.91 0.91 0.00 0.00 72 L 7.36 4.66 0.00 1.84 1.68 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.68 4.36 0.00 1.85 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 2.32 2.33 0.00 74 N 7.92 4.76 0.00 2.70 2.81 0.00 0.00 6.92 7.85 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 75 L 7.54 4.16 0.00 1.57 1.86 0.95 1.02 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 76 T 8.18 4.72 4.40 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 1.22 0.00 0.00 77 L 7.72 4.37 0.00 1.65 1.67 0.87 0.70 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 78 T 8.11 3.46 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 1.25 0.00 0.00 79 I 8.97 4.51 1.89 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 1.23 1.25 0.92 0.00 0.00 80 P 0.00 4.75 0.00 1.93 2.01 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 81 V 7.73 4.01 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 0.74 0.00 0.00 0.94 0.00 0.00 82 R 8.62 3.85 0.00 1.92 1.88 0.00 3.31 0.00 0.00 3.60 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 83 A 7.80 3.23 1.02 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 84 G 7.75 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 0.00 0.00 0.00 0.00 85 E 8.03 3.83 0.00 2.19 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 2.20 2.29 0.00 86 T 8.48 3.85 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 87 K 7.83 4.39 0.00 1.89 1.78 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.58 7.81 88 I 8.25 3.90 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.98 0.00 0.00 89 Y 8.69 4.18 0.00 3.09 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 90 G 8.97 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 91 S 8.86 4.37 0.00 3.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.81 4.41 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 0.72 0.00 0.00 0.92 0.00 0.00 93 T 8.75 4.49 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 1.21 0.00 0.00 94 A 8.98 4.55 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 95 K 7.91 3.81 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.53 7.81 96 D 8.23 4.59 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 97 I 7.75 3.68 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.89 0.00 0.00 98 A 8.90 3.93 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 99 E 8.97 3.82 0.00 2.00 2.29 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 2.31 2.36 0.00 100 A 8.70 4.24 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 0.00 101 L 7.46 4.32 0.00 1.88 1.73 0.78 1.11 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 0.00 102 S 8.22 4.96 0.00 3.94 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 0.00 103 R 7.43 4.65 0.00 1.89 1.87 0.00 3.20 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 104 Q 8.22 4.36 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 105 H 8.32 4.66 0.00 3.10 3.28 0.00 5.73 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 0.00 106 G 8.52 4.63 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 0.00 0.00 0.00 107 V 8.07 4.45 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 0.93 0.00 0.00 0.92 0.00 0.00 108 T 8.21 4.76 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 1.22 0.00 0.00 109 I 7.87 4.52 1.92 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 1.27 0.30 0.55 0.00 0.00 110 D 8.67 4.85 0.00 2.90 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 0.00 111 P 0.00 4.62 0.00 2.19 2.17 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 112 K 8.29 4.48 0.00 1.79 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.37 7.81 113 R 8.01 4.11 0.00 1.70 0.95 0.00 3.11 0.00 0.00 3.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 114 L 7.71 4.20 0.00 1.71 1.77 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.87 3.62 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 0.00 116 L 7.85 4.24 0.00 1.59 1.61 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.31 3.96 0.00 2.10 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 2.25 2.33 0.00 118 K 7.46 4.62 0.00 1.77 1.69 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.37 7.81 119 P 0.00 4.21 0.00 2.20 2.26 0.00 3.75 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 2.06 1.98 0.00 120 I 7.92 2.97 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.21 0.74 0.00 0.00 121 K 9.14 3.73 0.00 1.90 1.90 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.58 7.81 122 E 8.00 4.69 0.00 2.04 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 2.34 2.29 0.00 123 L 7.97 4.12 0.00 1.70 1.60 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.78 3.53 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 0.00 0.00 0.00 125 E 7.72 4.75 0.00 1.73 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 2.12 2.19 0.00 126 Y 9.01 4.48 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.12 4.58 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 0.83 0.00 0.00 0.95 0.00 0.00 128 L 8.03 4.80 0.00 1.50 1.27 0.90 0.69 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 0.00 129 T 8.23 4.29 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 130 Y 8.37 4.96 0.00 2.98 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 0.00 131 K 6.87 4.26 0.00 1.61 1.28 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.15 1.27 7.81 132 P 0.00 5.01 0.00 2.23 2.01 0.00 3.88 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 133 H 8.65 3.82 0.00 3.35 2.80 0.00 5.59 0.00 0.00 0.00 0.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.14 0.00 1.95 2.29 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 135 E 8.33 4.22 0.00 1.96 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 2.31 2.50 0.00 136 V 7.80 4.56 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 1.01 0.00 0.00 0.95 0.00 0.00 137 P 0.00 4.80 0.00 2.13 2.20 0.00 3.93 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.02 0.00 138 I 8.40 4.50 1.86 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 1.14 0.84 0.87 0.00 0.00 139 Q 8.45 5.14 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 140 L 9.60 4.85 0.00 1.72 1.58 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.48 4.81 0.00 1.71 1.68 0.00 2.00 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.27 7.81 142 V 8.19 4.03 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 0.89 0.00 0.00 1.18 0.00 0.00 143 S 9.42 4.54 0.00 3.84 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 0.00 144 V 7.98 4.16 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 0.68 0.00 0.00 0.88 0.00 0.00 145 V 8.06 2.95 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 0.77 0.00 0.00 0.90 0.00 0.00 *146 A 8.57 4.12 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 * Residues marked with a * may have inaccurate shift predictions.