NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 K 4.2758 8.2993 121.7846 56.6153 33.1860 175.2134 40 S 4.5713 8.4452 115.7362 55.9317 64.4161 170.5850 41 E 4.6679 7.9928 119.4162 55.6093 30.4281 176.6220 42 G 3.7550 8.0377 108.0459 46.2135 0.0000 172.8402 43 Y 4.5000 7.9326 116.7494 59.9127 38.2984 177.9098 44 C 4.0668 9.5053 120.1368 57.2846 38.5318 175.3557 45 S 3.9083 7.7694 115.4891 60.9149 62.6755 175.2098 46 R 4.4913 7.9916 118.8924 55.8186 31.3451 175.2447 47 I 4.9520 7.9030 121.0221 59.7818 38.7585 174.9979 48 L 4.9426 8.9141 126.2333 52.9815 46.5682 175.6387 49 R 5.0588 9.2552 119.9259 54.7291 31.3615 176.7704 50 A 4.2508 9.1789 126.7322 52.3854 18.9053 176.8759 51 Q 4.4319 8.7015 121.1479 54.9099 31.0444 176.4803 52 G 3.9540 8.6151 111.3133 45.1140 0.0000 172.3082 53 T 4.4352 7.8365 111.8314 60.0652 70.5823 172.4785 *58 Y 4.8939 7.8618 125.0712 57.6807 39.7944 174.7535 59 T 3.7222 7.8984 112.5230 65.5455 67.4132 175.5388 60 E 3.9295 7.9990 120.0125 58.2388 30.5606 176.7929 61 F 5.3922 8.2351 118.6471 55.9716 40.7463 175.8650 62 S 4.9357 9.1181 118.5473 56.6563 67.0909 172.5176 63 L 5.0474 8.8579 126.2548 53.5258 43.5158 175.8018 64 R 4.7362 9.3339 124.4437 54.4480 35.0673 174.1087 65 V 4.7290 8.1676 121.8532 60.8754 33.4217 174.7574 66 E 4.1042 9.1048 129.7833 58.2049 29.7743 177.2869 67 G 3.9280 8.8582 113.8672 44.8242 0.0000 172.6101 68 D 4.4076 8.2736 118.8838 54.5862 38.6943 172.1574 69 P 4.5158 0.0000 0.0000 62.7904 32.7064 177.2374 70 D 4.2546 8.8900 121.1326 57.1089 40.9518 176.2001 71 F 5.2177 7.9807 114.0049 55.7141 43.3657 173.4395 72 Y 4.9813 8.7708 118.2440 55.5646 40.6766 174.7692 73 K 4.7570 9.5018 122.0760 54.0738 34.1725 174.4550 74 P 4.7302 0.0000 0.0000 63.7290 31.6785 176.5040 75 G 3.9240 8.7377 112.2186 45.2432 0.0000 173.6935 76 T 3.9116 7.8253 115.1640 61.8603 68.6798 173.3756 77 S 4.8134 8.2656 123.0861 57.8016 63.1359 172.5147 78 Y 4.7831 9.2284 125.8008 56.3292 40.7875 174.8199 79 R 5.0542 8.8454 123.5059 55.5857 31.9755 175.0712 80 V 4.9998 9.4196 120.4040 59.8531 34.5892 174.5343 81 T 4.9308 9.0904 120.6426 60.0672 70.5616 172.0818 82 L 5.1282 8.3698 130.7120 53.5439 43.8707 175.2343 83 S 5.4557 9.1364 120.0037 56.6511 67.0325 172.4067 84 A 5.1337 9.1890 123.2889 50.1791 20.8387 176.4877 85 A 4.1974 8.7051 125.4586 50.6253 19.7389 175.5945 86 P 4.5360 0.0000 0.0000 62.6133 31.9396 174.2177 87 P 4.7784 0.0000 0.0000 62.8390 31.6066 176.1258 88 S 4.4340 7.8299 115.1922 59.6092 63.2593 172.8172 89 Y 5.1001 7.7643 118.5396 56.1153 40.4763 173.6720 90 F 5.0128 8.6980 114.9933 55.2240 40.6443 174.0038 91 R 4.6530 7.6926 118.2869 56.2834 31.1455 178.0071 92 G 4.1631 8.2651 108.7019 45.5861 0.0000 171.9921 93 F 5.0741 8.4303 113.4881 56.2110 41.7953 173.1704 94 T 4.9387 8.8619 115.7902 61.6928 72.4113 172.7632 95 L 5.4543 9.2611 128.2821 53.2904 45.0355 175.1411 96 I 5.3096 8.9712 118.2872 59.2880 42.1496 173.7585 97 A 4.9182 8.7130 122.8260 50.3179 21.8714 174.9568 98 L 5.0816 8.7428 122.8587 52.5949 45.0202 176.6128 99 R 4.3994 8.5986 121.2946 56.1466 31.0911 176.3958 100 E 3.8583 8.6140 124.1569 57.6409 30.1734 176.2661 101 N 4.3147 8.7761 119.5290 54.0434 36.1643 174.1840 102 R 4.6762 7.2803 116.3041 54.3218 32.4279 176.2792 103 E 3.9833 8.6788 121.6586 59.1430 29.8351 177.8704 104 G 3.9830 8.5102 104.7580 45.4512 0.0000 173.5970 105 D 5.1222 7.9425 117.9697 52.9813 39.9400 176.1413 106 K 4.6789 7.7101 118.8769 54.5251 35.9170 176.6075 107 E 3.8681 9.0462 123.5606 59.5066 29.6251 178.8222 108 E 4.0913 8.1336 116.3547 58.8618 29.8318 177.7235 109 D 4.4932 8.4261 118.9412 56.4109 41.1485 175.9184 110 H 5.1098 8.1416 115.8885 54.3616 30.2799 174.3366 111 A 4.6065 8.5088 124.3125 51.3915 22.0389 178.0996 112 G 3.4208 8.6063 110.0097 44.7397 0.0000 172.3768 113 T 4.5207 7.2866 114.5649 61.4676 71.6917 174.3019 114 F 5.2031 9.0957 125.5705 57.7778 40.3354 174.7290 115 Q 4.9771 9.7801 122.9487 54.4744 32.3524 174.6072 116 I 4.1566 8.6869 126.8972 61.3874 38.1533 175.2778 117 I 4.0432 8.3076 124.9224 62.7983 38.4264 176.0426 118 D 4.6710 7.5915 125.6705 52.6123 40.3740 176.2702 119 E 4.2033 8.5051 126.0624 58.0742 30.1794 178.6534 120 E 4.1338 8.3934 118.7516 59.1200 29.5916 177.5169 121 E 5.3948 8.5237 113.6717 54.6185 32.4033 175.1110 122 T 5.0899 7.8118 109.8707 60.2923 71.7873 173.0081 123 Q 4.3815 8.4199 119.3427 55.2139 32.4359 173.2750 124 F 4.8898 8.2727 118.3944 57.3098 40.1973 175.3240 125 M 4.2638 8.9166 123.1629 55.4615 32.4018 177.6106 126 S 4.2134 8.8950 121.1676 61.1623 63.6813 174.8371 127 N 4.7973 8.1265 116.7511 54.5339 38.9888 175.2930 128 C 5.0135 7.8474 118.2093 54.9701 44.8994 172.1743 129 P 4.1348 0.0000 0.0000 63.8229 31.2657 177.6597 130 V 3.9076 7.5117 110.0173 61.7591 32.3117 175.4827 131 A 4.9904 8.1844 122.8295 50.4058 21.8336 175.9455 132 V 4.8355 8.5068 119.6500 61.3597 34.5943 174.7966 133 T 4.6627 8.7886 116.6327 58.0458 72.6913 172.6751 134 E 4.6612 7.6537 119.2988 56.6352 30.2644 176.9343 135 S 4.7599 9.7364 115.6635 58.7790 64.8320 173.8001 136 T 4.9756 7.5994 110.1060 59.5358 71.6694 171.1705 137 P 4.8470 0.0000 0.0000 62.8075 32.0307 176.0853 138 R 3.9912 7.5807 119.6484 57.6842 31.1426 175.7926 139 R 4.3521 8.4834 124.8709 56.6965 30.7089 176.1853 140 R 4.6879 8.9182 121.7791 54.7321 34.5776 175.6694 141 T 4.5554 8.2448 109.5208 61.8963 71.1227 173.5159 142 R 5.3979 7.5058 120.6276 55.4520 33.1388 173.6696 143 I 4.8210 8.8700 117.9421 59.4706 41.4387 173.9779 144 Q 5.1089 8.4100 120.8291 54.5153 32.8623 174.5594 145 V 4.4635 8.6926 120.6565 60.2551 35.5874 174.2085 146 F 5.5387 8.6121 120.2113 56.7524 41.1967 174.8339 147 W 5.4771 9.6580 131.3139 55.9453 33.9833 173.8488 148 I 4.4944 8.3875 128.9180 59.8093 38.0234 175.5527 149 A 2.8629 8.5103 130.1570 50.7402 19.3960 175.2284 150 P 4.6701 0.0000 0.0000 61.2915 33.7010 173.8136 151 P 4.4434 0.0000 0.0000 62.0931 32.5569 176.0369 152 A 4.2864 8.5978 124.1343 54.5025 18.5378 178.3959 153 G 4.0774 9.8089 110.5414 45.5958 0.0000 175.1144 154 T 3.8844 7.5902 115.8104 64.7767 68.6665 175.0453 155 G 3.9262 8.5332 107.2649 44.0898 0.0000 171.8281 156 C 4.8545 8.6332 115.1651 57.1818 39.5899 173.2872 157 V 5.0006 9.3226 122.4377 61.1568 34.6985 174.2088 158 I 4.7696 8.8929 127.6481 59.4871 39.6385 174.6160 159 L 4.6437 8.5610 128.3566 53.9410 43.1028 176.3046 160 K 5.1597 9.2049 122.1579 54.6830 36.4770 175.1915 161 A 5.5066 9.1691 125.7735 50.2674 22.1199 175.4423 162 S 4.5048 9.1843 114.3464 56.5885 65.5694 174.5874 163 I 4.1389 8.2770 124.6979 60.9000 38.2553 175.7477 164 V 3.9051 7.1105 115.1516 60.3260 31.4405 176.3361 165 Q 4.3420 8.3509 125.2110 54.1116 27.7644 174.6592 166 K 4.6148 7.7636 120.6614 53.7990 36.5697 176.8079 167 R 3.9739 8.7287 119.7817 59.1080 30.0657 176.4483 168 I 4.2987 7.5532 117.3329 59.6613 39.0397 175.4032 169 I 4.1647 8.3248 128.0969 60.0374 38.6128 174.1010 170 Y 5.0652 8.3970 125.0685 56.4354 39.6450 175.3870 171 F 4.8626 8.9770 121.8031 55.7032 42.5439 174.8792 172 Q 4.6787 8.6902 120.7237 55.1129 29.7492 176.1848 173 D 4.5103 8.8314 122.1345 56.7394 41.0839 175.7723 174 E 4.6486 8.0701 114.2552 54.2091 33.1948 172.3100 175 G 3.7951 8.6002 102.7619 44.1619 0.0000 174.3176 176 S 4.2042 8.8494 111.9648 60.5065 63.2870 175.2672 177 L 4.6445 7.9357 120.6385 54.4433 41.6780 175.2637 178 T 5.2227 7.6362 107.9467 60.0020 71.9889 173.5474 179 K 4.5482 8.9687 122.4361 54.7219 36.4545 175.0951 180 K 4.7476 8.6342 126.3107 55.3739 33.7074 175.6017 181 L 4.7492 9.0420 126.7463 53.3325 45.4347 175.3579 182 C 5.2779 8.5778 120.4104 54.7768 43.7547 172.8465 183 E 3.6537 8.3777 119.9011 56.0627 29.3635 178.4510 184 Q 3.5952 7.4495 126.6754 54.8154 26.4689 175.6532 185 D 4.1196 6.8573 122.8067 54.5209 42.0304 175.7854 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 39 K 8.30 4.28 0.00 1.67 1.75 0.00 1.48 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.53 7.81 40 S 8.45 4.57 0.00 4.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.99 4.67 0.00 1.99 1.96 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 2.12 2.22 0.00 42 G 8.04 3.75 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 0.00 0.00 0.00 43 Y 7.93 4.50 0.00 2.98 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 44 C 9.51 4.07 0.00 3.21 3.44 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 45 S 7.77 3.91 0.00 3.96 4.15 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 46 R 7.99 4.49 0.00 1.78 2.05 0.00 3.08 0.00 0.00 3.54 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 47 I 7.90 4.95 2.18 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 0.88 0.00 0.00 48 L 8.91 4.94 0.00 1.17 1.49 0.76 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.26 5.06 0.00 1.85 1.94 0.00 3.38 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 50 A 9.18 4.25 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.70 4.43 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 52 G 8.62 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 53 T 7.84 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 1.20 0.00 0.00 *58 Y 7.86 4.89 0.00 3.08 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 59 T 7.90 3.72 3.64 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 0.94 0.00 0.00 60 E 8.00 3.93 0.00 1.16 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 2.17 2.21 0.00 61 F 8.24 5.39 0.00 2.93 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 62 S 9.12 4.94 0.00 3.71 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 63 L 8.86 5.05 0.00 1.55 1.52 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 R 9.33 4.74 0.00 1.70 1.75 0.00 3.15 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 65 V 8.17 4.73 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 1.08 0.00 0.00 0.86 0.00 0.00 66 E 9.10 4.10 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 67 G 8.86 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 68 D 8.27 4.41 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.42 2.25 0.00 3.89 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 70 D 8.89 4.25 0.00 2.96 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 7.98 5.22 0.00 2.81 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 72 Y 8.77 4.98 0.00 3.13 3.12 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 73 K 9.50 4.76 0.00 1.86 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.59 7.81 74 P 0.00 4.73 0.00 2.09 2.32 0.00 3.77 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 75 G 8.74 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 0.00 0.00 0.00 76 T 7.83 3.91 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 1.24 0.00 0.00 77 S 8.27 4.81 0.00 3.69 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 9.23 4.78 0.00 3.45 3.11 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 0.00 0.00 0.00 0.00 79 R 8.85 5.05 0.00 2.18 1.97 0.00 3.23 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 80 V 9.42 5.00 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 0.92 0.00 0.00 1.02 0.00 0.00 81 T 9.09 4.93 4.30 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 1.22 0.00 0.00 82 L 8.37 5.13 0.00 1.58 1.15 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.14 5.46 0.00 3.94 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 84 A 9.19 5.13 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 85 A 8.71 4.20 1.15 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 0.00 0.00 86 P 0.00 4.54 0.00 2.04 2.01 0.00 3.64 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 2.02 2.08 0.00 87 P 0.00 4.78 0.00 2.20 2.13 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 88 S 7.83 4.43 0.00 3.99 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.76 5.10 0.00 3.11 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.70 5.01 0.00 3.07 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 91 R 7.69 4.65 0.00 1.92 2.02 0.00 3.36 0.00 0.00 2.25 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 92 G 8.27 4.16 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 0.00 0.00 0.00 93 F 8.43 5.07 0.00 2.93 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 94 T 8.86 4.94 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 1.37 0.00 0.00 95 L 9.26 5.45 0.00 1.81 1.14 0.62 0.79 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 96 I 8.97 5.31 1.76 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.53 0.81 0.00 0.00 97 A 8.71 4.92 1.04 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 98 L 8.74 5.08 0.00 1.44 1.45 0.80 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.60 4.40 0.00 1.78 1.87 0.00 3.15 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 100 E 8.61 3.86 0.00 2.12 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 0.00 2.33 2.29 0.00 101 N 8.78 4.31 0.00 2.93 2.92 0.00 0.00 6.86 7.66 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 0.00 102 R 7.28 4.68 0.00 1.89 1.94 0.00 3.49 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 103 E 8.68 3.98 0.00 1.92 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 0.00 2.39 2.38 0.00 104 G 8.51 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 0.00 105 D 7.94 5.12 0.00 2.81 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 0.00 106 K 7.71 4.68 0.00 1.78 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.35 7.81 107 E 9.05 3.87 0.00 2.05 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 2.38 2.31 0.00 108 E 8.13 4.09 0.00 2.00 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 0.00 2.33 2.42 0.00 109 D 8.43 4.49 0.00 2.93 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 0.00 110 H 8.14 5.11 0.00 3.27 3.28 0.00 5.62 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 0.00 111 A 8.51 4.61 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 0.00 112 G 8.61 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.29 4.52 4.09 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 1.24 0.00 0.00 114 F 9.10 5.20 0.00 3.41 3.24 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 0.00 115 Q 9.78 4.98 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 116 I 8.69 4.16 1.91 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.40 0.86 0.00 0.00 117 I 8.31 4.04 1.83 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.06 0.81 0.00 0.00 118 D 7.59 4.67 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.51 4.20 0.00 2.00 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 2.29 0.00 120 E 8.39 4.13 0.00 2.21 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 2.35 2.43 0.00 121 E 8.52 5.39 0.00 1.87 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 2.28 2.11 0.00 122 T 7.81 5.09 4.37 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 1.45 0.00 0.00 123 Q 8.42 4.38 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 124 F 8.27 4.89 0.00 3.00 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 0.00 125 M 8.92 4.26 0.00 2.35 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 126 S 8.90 4.21 0.00 4.06 4.01 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 0.00 127 N 8.13 4.80 0.00 2.82 2.97 0.00 0.00 6.58 7.66 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 0.00 128 C 7.85 5.01 0.00 2.95 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 0.00 129 P 0.00 4.13 0.00 1.73 1.82 0.00 3.32 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.47 0.00 130 V 7.51 3.91 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 0.64 0.00 0.00 0.68 0.00 0.00 131 A 8.18 4.99 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 0.00 132 V 8.51 4.84 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 0.95 0.00 0.00 0.71 0.00 0.00 133 T 8.79 4.66 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 1.06 0.00 0.00 134 E 7.65 4.66 0.00 2.07 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 2.21 2.40 0.00 135 S 9.74 4.76 0.00 3.79 4.10 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 0.00 0.00 0.00 136 T 7.60 4.98 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 0.00 137 P 0.00 4.85 0.00 2.22 2.18 0.00 3.78 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 1.95 1.94 0.00 138 R 7.58 3.99 0.00 1.85 1.83 0.00 3.06 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 139 R 8.48 4.35 0.00 1.49 1.44 0.00 2.21 0.00 0.00 2.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 140 R 8.92 4.69 0.00 0.85 1.05 0.00 3.24 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 141 T 8.24 4.56 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 1.28 0.00 0.00 142 R 7.51 5.40 0.00 1.85 1.79 0.00 3.18 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 143 I 8.87 4.82 1.66 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.10 0.93 0.00 0.00 144 Q 8.41 5.11 0.00 1.76 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 145 V 8.69 4.46 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 1.00 0.00 0.00 1.14 0.00 0.00 146 F 8.61 5.54 0.00 3.19 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 0.00 147 W 9.66 5.48 0.00 3.29 3.11 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 0.00 0.00 0.00 0.00 148 I 8.39 4.49 1.60 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 1.03 0.73 0.75 0.00 0.00 149 A 8.51 2.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.67 0.00 2.06 2.12 0.00 2.60 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 151 P 0.00 4.44 0.00 2.11 2.02 0.00 3.59 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 2.09 2.07 0.00 152 A 8.60 4.29 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 0.00 153 G 9.81 4.08 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 0.00 154 T 7.59 3.88 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 1.28 0.00 0.00 155 G 8.53 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 0.00 156 C 8.63 4.85 0.00 3.08 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 0.00 157 V 9.32 5.00 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 0.86 0.00 0.00 1.00 0.00 0.00 158 I 8.89 4.77 1.79 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 1.19 0.80 0.86 0.00 0.00 159 L 8.56 4.64 0.00 1.54 1.43 -0.05 0.44 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 0.00 160 K 9.20 5.16 0.00 1.42 1.78 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.58 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.44 7.81 161 A 9.17 5.51 1.16 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 0.00 0.00 162 S 9.18 4.50 0.00 2.87 2.81 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 0.00 0.00 0.00 163 I 8.28 4.14 1.43 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.14 0.29 0.00 0.00 164 V 7.11 3.91 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 0.57 0.00 0.00 0.81 0.00 0.00 165 Q 8.35 4.34 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.70 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 166 K 7.76 4.61 0.00 1.88 1.69 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.38 7.81 167 R 8.73 3.97 0.00 1.76 1.96 0.00 3.22 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 168 I 7.55 4.30 1.84 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 1.35 1.01 0.35 0.00 0.00 169 I 8.32 4.16 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.97 0.43 0.00 0.00 170 Y 8.40 5.07 0.00 2.79 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 F 8.98 4.86 0.00 3.03 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.69 4.68 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 173 D 8.83 4.51 0.00 2.69 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 0.00 174 E 8.07 4.65 0.00 2.00 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 2.17 2.36 0.00 175 G 8.60 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 0.00 0.00 0.00 176 S 8.85 4.20 0.00 4.08 4.10 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 0.00 0.00 0.00 177 L 7.94 4.64 0.00 1.76 1.86 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 178 T 7.64 5.22 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 1.31 0.00 0.00 179 K 8.97 4.55 0.00 1.50 1.59 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.29 1.45 7.81 180 K 8.63 4.75 0.00 1.71 1.63 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 181 L 9.04 4.75 0.00 1.61 1.73 0.65 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 182 C 8.58 5.28 0.00 3.04 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 0.00 183 E 8.38 3.65 0.00 1.72 1.86 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 1.86 2.10 0.00 184 Q 7.45 3.60 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.73 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 185 D 6.86 4.12 0.00 2.62 2.37 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 * Residues marked with a * may have inaccurate shift predictions.