NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4097 8.0433 122.6807 54.8869 42.6561 174.2890 4 I 4.4109 8.1312 125.9795 59.1561 38.3728 169.9650 5 V 4.4224 9.8902 128.4505 61.1177 34.8188 173.4437 6 N 5.1740 9.0713 125.5563 51.8964 40.6066 174.0329 7 V 4.6021 8.8165 124.8890 61.4430 33.6562 174.2856 8 I 4.8156 8.9244 130.2923 59.7131 39.7248 174.4427 9 N 5.3505 9.1274 125.4045 51.7320 40.6215 175.8007 10 G 4.3417 9.2697 114.3136 43.9446 0.0000 170.7712 11 P 4.4464 0.0000 0.0000 64.4774 31.7169 176.6697 12 N 4.6088 9.2344 118.1722 53.5479 37.1259 176.0535 13 L 4.2765 7.6030 117.5624 56.1973 42.1167 178.8082 14 G 3.6423 7.9953 106.3574 47.3172 0.0000 174.3151 15 R 4.3661 7.6273 118.7345 55.8143 30.8359 176.3475 16 L 4.0233 7.3562 119.1659 56.4619 41.4871 176.2679 17 G 4.0708 8.3015 115.7833 45.8405 0.0000 174.4440 18 R 4.1080 7.3365 121.2833 54.7183 28.5970 176.6555 *24 Y 4.2383 7.3758 117.9638 58.1924 38.9691 176.9906 25 G 4.1807 9.1387 108.1571 46.2479 0.0000 173.6456 26 G 4.0598 8.3026 107.6601 44.8443 0.0000 172.8907 27 T 4.4181 7.8234 117.3067 62.8263 69.5176 175.4772 28 T 4.8020 8.0512 117.5790 60.5881 71.3355 175.3890 29 H 4.0858 8.5911 119.9601 59.3248 29.7861 176.7847 30 D 4.3310 8.0636 120.3684 57.5076 40.7755 178.4979 31 E 4.0026 8.0515 118.6297 58.9771 29.4081 179.1737 32 L 3.8140 7.8320 120.6905 57.9882 42.0868 179.1480 33 V 3.4156 7.7862 118.0710 65.9101 31.4453 177.8634 34 A 3.9480 7.7435 120.1396 55.1249 18.1934 179.6481 35 L 3.9392 7.8291 117.4290 57.8745 41.6159 179.8679 36 I 3.6751 7.7298 119.7187 64.5403 37.0020 178.4568 37 E 3.9407 8.3102 119.4778 59.2113 29.1796 179.4462 38 R 3.8868 8.0384 119.0710 59.3392 29.9705 178.2144 39 E 4.0613 8.2891 119.0248 58.8888 29.5963 178.6037 40 A 3.9853 8.2782 120.9945 55.0340 18.5794 179.4048 41 A 3.9373 7.7974 119.0280 55.4924 18.2491 179.7995 42 E 4.0093 7.7188 114.4438 58.7907 29.6035 178.5339 43 L 4.4535 7.4476 116.6679 53.6666 42.2501 176.5325 44 G 3.8538 7.8465 106.5020 46.8940 0.0000 173.4807 45 L 4.9471 8.3061 117.7891 52.2934 45.6984 176.5550 46 K 4.4592 8.9883 122.3845 54.8411 33.9690 174.6012 47 A 4.8672 8.5391 130.0052 50.7937 20.4217 176.2328 48 V 4.0461 8.9747 123.8190 61.3273 33.1683 174.3867 49 V 4.6648 8.1157 128.4202 61.3821 32.8088 175.1552 50 R 4.5276 8.6608 125.9421 54.3801 34.4691 173.9077 51 Q 5.1709 8.5623 122.4322 54.7145 32.1128 174.0495 52 S 4.8064 8.9139 118.6800 57.5028 65.5431 173.6748 53 D 4.6009 8.8503 123.7465 54.9070 41.4684 176.9097 54 S 4.4725 7.9794 115.6474 56.8007 63.7012 173.8427 55 E 3.8395 8.7092 129.5245 59.4386 29.5836 178.4523 56 A 3.8775 7.9172 120.2468 55.3608 18.3876 179.2604 57 Q 3.4349 7.4966 116.5913 58.9046 29.0085 178.3972 58 L 4.0618 7.4117 120.0839 57.6658 41.6032 179.3222 59 L 3.8635 7.9629 119.1021 57.6944 41.5313 179.0624 60 D 4.2797 7.9357 117.7642 57.3198 41.3073 178.3893 61 W 4.5270 7.9522 119.3214 59.9616 29.0078 178.6651 62 I 3.8686 8.0479 119.8662 64.5353 36.5565 178.0552 63 H 4.2983 8.3487 117.2890 59.1733 28.5025 177.8842 64 Q 4.0723 8.2802 119.5356 58.9257 28.4911 178.6787 65 A 4.0113 8.1090 121.2093 54.8360 18.2520 179.6109 66 A 3.9550 8.2070 119.4449 55.6239 18.3145 179.7052 67 D 4.3497 8.1059 115.8318 56.9698 40.9909 178.0100 68 A 4.2594 8.2362 118.5874 51.1261 19.6692 176.5483 69 A 3.7236 7.4787 119.1420 53.2865 16.7332 176.9405 70 E 4.7926 8.2614 119.3611 54.3864 32.1011 176.0850 71 P 4.5807 0.0000 0.0000 62.9068 32.9323 175.1958 72 V 4.7562 8.5581 123.1926 61.1940 34.5125 174.1451 73 I 4.7292 9.2853 129.5453 59.7566 39.0572 174.2981 74 L 5.0899 8.9820 130.4288 53.2570 44.7170 174.6251 75 N 5.2061 9.4055 125.8499 51.1380 39.8120 174.6612 76 A 4.3371 8.6784 128.5103 51.8088 19.8556 178.3945 77 G 3.9500 8.0322 106.0208 46.4164 0.0000 178.1767 78 G 3.7782 8.7363 112.7205 48.0616 0.0000 175.1219 79 L 4.2954 7.7112 119.4176 57.0539 42.2208 179.2558 80 T 3.8831 7.6204 115.2171 66.9775 68.3511 175.1955 81 H 4.9642 7.6890 115.0000 56.3524 29.5775 175.9412 82 T 4.5537 7.8356 108.4310 62.0522 70.9377 173.4066 83 S 4.5472 8.5660 118.3075 56.8428 62.4657 174.5861 84 V 3.3331 8.0519 128.2281 65.5960 31.3366 177.4203 85 A 3.9202 7.8707 120.1846 55.1497 18.1705 179.2457 86 L 3.8878 8.0076 118.7473 58.0586 42.2771 179.0538 87 R 3.9064 7.5689 117.3017 59.6890 29.8279 178.2254 88 D 4.3605 8.1218 117.2178 57.2391 40.9407 178.3481 89 A 4.1960 8.0006 121.2530 55.5338 18.3300 179.5447 90 C 4.2134 8.3325 114.5094 62.3716 27.9083 176.0664 91 A 4.0883 7.6492 121.6692 54.8137 17.9927 178.4925 92 E 4.0635 7.8480 116.0179 58.4337 29.8570 177.3732 93 L 4.1480 7.5305 120.2616 54.7623 41.7815 177.1645 94 S 4.3357 8.7054 118.4800 59.9030 63.9356 174.4053 95 A 4.5116 7.6796 121.4667 50.1182 19.9348 175.5014 96 P 4.3474 0.0000 0.0000 63.1991 33.0081 175.1017 97 L 5.1135 8.6541 124.6923 53.3710 44.8878 174.9227 98 I 4.8273 8.6308 127.5459 59.3802 39.8136 174.4348 99 E 4.6054 8.9600 129.5626 55.7287 30.6905 175.3643 100 V 4.7499 8.6952 126.5739 61.3195 34.9983 173.7247 101 H 4.8802 9.0790 124.4301 54.1972 32.0643 174.4581 102 I 3.9677 8.6830 124.5204 64.4551 37.7272 176.9231 103 S 4.6800 7.8939 114.2997 56.8977 64.6921 173.3878 104 N 4.5355 8.3515 119.4444 52.7108 38.0338 175.9373 105 V 3.6297 8.1342 120.4535 64.0361 31.8298 177.9019 106 H 4.4957 8.1392 115.1619 56.6664 28.8864 175.6178 107 A 4.6079 7.6859 121.1027 51.7645 19.5945 177.4384 108 R 4.7398 6.9454 115.7251 55.6747 31.9559 175.6098 109 E 3.9661 8.2229 120.7702 57.1908 30.4014 177.8275 110 E 3.9347 8.5248 121.0215 59.3480 29.7118 179.2012 111 F 4.4571 7.6443 111.8696 58.5982 38.1795 176.0182 112 R 3.7799 6.9104 119.0738 57.0356 30.1951 177.3364 113 R 4.0512 7.5983 115.9595 57.0502 30.5495 175.6547 114 H 4.8169 7.9423 117.9395 54.1138 31.4724 173.4523 115 S 4.7213 7.8951 119.9277 56.6101 64.9748 173.4543 116 Y 4.3196 8.5792 125.1794 60.4664 38.3729 177.6027 117 L 4.2731 7.9559 119.7016 57.1635 40.9557 178.8395 118 S 4.1806 7.9137 115.1532 61.5349 62.6332 175.1295 119 P 4.4262 0.0000 0.0000 64.8587 31.1861 177.6840 120 I 4.2283 7.0175 105.8220 60.1801 38.4779 175.9177 121 A 4.2981 7.1207 123.5439 52.1542 19.1552 177.8343 122 T 4.0348 8.8177 117.5931 66.2803 68.7189 175.0445 123 G 4.1551 7.6507 105.7543 44.7726 0.0000 170.6898 124 V 4.9211 8.0856 118.5323 61.0155 34.5693 174.3367 125 I 4.5411 9.0581 128.5234 59.4887 39.6739 174.7910 126 V 4.6871 7.9770 125.6743 62.1807 34.9270 176.1521 127 G 3.9241 8.8595 114.6281 45.9814 0.0000 173.5492 128 L 4.4740 7.5221 119.0413 53.9697 42.3403 177.6971 129 G 3.8938 7.8241 107.5720 46.7846 0.0000 176.5323 130 I 3.9778 8.2560 118.7927 63.6034 38.0410 177.4896 131 Q 4.3542 7.8860 119.2758 57.9770 28.8485 177.7450 132 G 3.5826 7.7838 106.7969 48.3312 0.0000 175.2650 133 Y 4.0767 7.5907 117.4373 61.0166 38.0277 178.7773 134 L 4.0663 8.0212 119.3713 57.7765 41.8075 179.4430 135 L 4.0714 8.4364 119.2290 57.6069 41.2292 179.3611 136 A 4.0712 8.2704 120.9650 55.0041 18.3574 179.6756 137 L 4.0110 8.2658 117.8349 58.0290 41.1880 179.7396 138 R 3.9660 8.0880 118.5635 59.2878 30.1053 177.8596 139 Y 4.0984 7.9698 119.1058 60.8669 38.6172 178.3135 140 L 4.0609 7.7225 117.8299 57.4833 41.7374 179.0432 141 A 4.1052 7.6892 119.8046 54.4984 18.3624 178.6350 142 E 4.2274 7.5253 114.4250 57.1019 30.1291 176.0932 143 H 4.3084 7.5578 120.3366 55.6885 29.2120 173.5575 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 3 L 8.04 4.41 0.00 1.36 1.67 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.13 4.41 1.98 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 1.22 0.82 0.91 0.00 0.00 5 V 9.89 4.42 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 0.95 0.00 0.00 6 N 9.07 5.17 0.00 2.85 2.67 0.00 0.00 6.17 8.53 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 7 V 8.82 4.60 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 1.06 0.00 0.00 0.94 0.00 0.00 8 I 8.92 4.82 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.52 1.17 0.00 0.00 9 N 9.13 5.35 0.00 2.71 2.80 0.00 0.00 6.45 7.67 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 10 G 9.27 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 0.00 0.00 0.00 0.00 11 P 0.00 4.45 0.00 2.08 2.03 0.00 3.98 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 2.05 2.29 0.00 12 N 9.23 4.61 0.00 3.01 3.06 0.00 0.00 6.89 6.87 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 13 L 7.60 4.28 0.00 1.94 1.79 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.00 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 0.00 0.00 0.00 0.00 15 R 7.63 4.37 0.00 2.02 1.97 0.00 3.32 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 16 L 7.36 4.02 0.00 1.83 1.87 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.30 4.07 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 0.00 0.00 0.00 18 R 7.34 4.11 0.00 1.97 2.00 0.00 3.11 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 *24 Y 7.38 4.24 0.00 2.38 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 0.00 0.00 0.00 25 G 9.14 4.18 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 0.00 26 G 8.30 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.82 4.42 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 1.19 0.00 0.00 28 T 8.05 4.80 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 29 H 8.59 4.09 0.00 3.20 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.06 4.33 0.00 2.75 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 31 E 8.05 4.00 0.00 2.12 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 2.31 2.30 0.00 32 L 7.83 3.81 0.00 1.71 1.60 0.50 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.79 3.42 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 0.88 0.00 0.00 0.85 0.00 0.00 34 A 7.74 3.95 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 35 L 7.83 3.94 0.00 1.85 1.71 0.94 0.84 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 36 I 7.73 3.68 1.88 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.87 0.00 0.00 37 E 8.31 3.94 0.00 2.04 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 2.36 0.00 38 R 8.04 3.89 0.00 2.08 2.06 0.00 3.08 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 E 8.29 4.06 0.00 2.31 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 0.00 2.33 2.38 0.00 40 A 8.28 3.99 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 41 A 7.80 3.94 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 42 E 7.72 4.01 0.00 2.14 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 2.34 2.50 0.00 43 L 7.45 4.45 0.00 1.72 1.70 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.85 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 45 L 8.31 4.95 0.00 1.45 1.65 0.93 0.78 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 46 K 8.99 4.46 0.00 1.77 1.65 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.34 7.81 47 A 8.54 4.87 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 48 V 8.97 4.05 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 0.79 0.00 0.00 0.88 0.00 0.00 49 V 8.12 4.66 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 0.69 0.00 0.00 0.82 0.00 0.00 50 R 8.66 4.53 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.66 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.10 0.00 51 Q 8.56 5.17 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.09 0.00 52 S 8.91 4.81 0.00 3.97 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.85 4.60 0.00 2.70 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 54 S 7.98 4.47 0.00 3.81 3.59 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 0.00 0.00 0.00 0.00 55 E 8.71 3.84 0.00 2.04 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 2.33 2.35 0.00 56 A 7.92 3.88 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 57 Q 7.50 3.43 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 58 L 7.41 4.06 0.00 1.79 1.76 0.97 1.15 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 59 L 7.96 3.86 0.00 1.74 1.56 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.94 4.28 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.95 4.53 0.00 3.63 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 62 I 8.05 3.87 1.98 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 1.58 1.00 0.97 0.00 0.00 63 H 8.35 4.30 0.00 3.38 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.28 4.07 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 65 A 8.11 4.01 1.50 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 0.00 0.00 66 A 8.21 3.96 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 67 D 8.11 4.35 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.24 4.26 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.48 3.72 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 70 E 8.26 4.79 0.00 1.87 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 2.26 2.46 0.00 71 P 0.00 4.58 0.00 2.10 2.02 0.00 3.78 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 2.14 2.12 0.00 72 V 8.56 4.76 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 1.10 0.00 0.00 1.00 0.00 0.00 73 I 9.29 4.73 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.57 0.99 0.00 0.00 74 L 8.98 5.09 0.00 1.74 1.50 1.05 0.38 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 75 N 9.41 5.21 0.00 2.81 3.04 0.00 0.00 6.96 7.67 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 76 A 8.68 4.34 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 77 G 8.03 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 78 G 8.74 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.71 4.30 0.00 1.83 1.76 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.62 3.88 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 81 H 7.69 4.96 0.00 3.26 3.55 0.00 5.59 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.84 4.55 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 1.29 0.00 0.00 83 S 8.57 4.55 0.00 3.87 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 84 V 8.05 3.33 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 0.98 0.00 0.00 0.30 0.00 0.00 85 A 7.87 3.92 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 86 L 8.01 3.89 0.00 1.77 1.67 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.57 3.91 0.00 2.01 2.07 0.00 3.35 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 88 D 8.12 4.36 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 89 A 8.00 4.20 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 90 C 8.33 4.21 0.00 3.17 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 91 A 7.65 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.85 4.06 0.00 2.14 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 2.36 2.30 0.00 93 L 7.53 4.15 0.00 1.68 1.79 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.71 4.34 0.00 3.99 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 95 A 7.68 4.51 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 96 P 0.00 4.35 0.00 2.20 2.15 0.00 3.59 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 2.22 2.19 0.00 97 L 8.65 5.11 0.00 1.78 1.49 0.98 1.06 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 98 I 8.63 4.83 1.83 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 0.88 0.64 0.78 0.00 0.00 99 E 8.96 4.61 0.00 2.03 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 2.25 2.23 0.00 100 V 8.70 4.75 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.68 0.00 0.00 101 H 9.08 4.88 0.00 2.98 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.68 3.97 1.92 0.00 0.00 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 1.55 1.20 0.96 0.00 0.00 103 S 7.89 4.68 0.00 3.97 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 0.00 104 N 8.35 4.54 0.00 2.73 2.75 0.00 0.00 6.88 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.13 3.63 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 0.71 0.00 0.00 0.56 0.00 0.00 106 H 8.14 4.50 0.00 3.25 3.29 0.00 5.64 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 0.00 107 A 7.69 4.61 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 0.00 108 R 6.95 4.74 0.00 1.66 1.61 0.00 3.14 0.00 0.00 3.15 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 109 E 8.22 3.97 0.00 1.16 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 110 E 8.52 3.93 0.00 1.98 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 2.35 2.23 0.00 111 F 7.64 4.46 0.00 3.03 3.18 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 0.00 112 R 6.91 3.78 0.00 1.62 1.79 0.00 2.93 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.00 113 R 7.60 4.05 0.00 1.93 2.00 0.00 3.10 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 114 H 7.94 4.82 0.00 3.04 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.90 4.72 0.00 3.77 3.60 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 0.00 116 Y 8.58 4.32 0.00 3.06 2.94 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 0.00 117 L 7.96 4.27 0.00 1.71 1.72 0.94 0.84 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 0.00 118 S 7.91 4.18 0.00 3.86 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 0.00 119 P 0.00 4.43 0.00 2.05 2.14 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 120 I 7.02 4.23 1.89 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 1.49 0.61 0.94 0.00 0.00 121 A 7.12 4.30 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 0.00 122 T 8.82 4.03 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 1.19 0.00 0.00 123 G 7.65 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 0.00 124 V 8.09 4.92 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 0.91 0.00 0.00 0.92 0.00 0.00 125 I 9.06 4.54 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.49 0.85 0.00 0.00 126 V 7.98 4.69 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 1.03 0.00 0.00 0.91 0.00 0.00 127 G 8.86 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 0.00 128 L 7.52 4.47 0.00 1.71 1.66 0.91 0.99 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 0.00 129 G 7.82 3.89 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 0.00 130 I 8.26 3.98 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.28 0.95 0.00 0.00 131 Q 7.89 4.35 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 132 G 7.78 3.58 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 0.00 133 Y 7.59 4.08 0.00 3.13 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 0.00 134 L 8.02 4.07 0.00 1.73 1.75 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.44 4.07 0.00 1.67 1.73 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.27 4.07 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 0.00 137 L 8.27 4.01 0.00 1.99 1.77 0.99 0.79 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 0.00 138 R 8.09 3.97 0.00 2.07 2.11 0.00 3.13 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 139 Y 7.97 4.10 0.00 3.14 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 0.00 140 L 7.72 4.06 0.00 1.87 1.76 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.69 4.11 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 0.00 142 E 7.53 4.23 0.00 1.83 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 2.22 2.30 0.00 143 H 7.56 4.31 0.00 2.68 2.97 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.