NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3342 8.3349 116.8012 57.6373 64.9752 173.8289 3 N 4.3451 8.2949 116.5875 53.4837 37.5283 173.0233 4 T 4.3219 8.9588 121.2484 63.6267 70.3214 173.6569 5 L 5.0324 8.4898 119.4037 53.8310 44.8031 177.1000 6 F 5.2104 8.0309 119.2941 57.0762 43.0357 172.5675 7 D 4.6979 7.6543 123.8224 52.8480 44.0325 173.5137 8 D 4.2625 8.0137 122.9943 53.5867 45.8151 174.2016 9 I 4.7449 7.7650 123.2872 59.7782 39.0623 174.8695 10 F 5.2022 8.9400 126.3360 56.2022 41.7705 174.8051 11 Q 4.8963 9.7982 123.7827 54.5079 30.9242 174.7330 12 V 4.3207 8.3978 128.1752 62.7622 32.2585 175.8853 13 S 4.8508 9.1807 123.5117 57.3900 64.0009 173.5347 14 E 4.8144 7.3370 117.8832 56.0312 32.6887 175.2070 15 V 4.7485 8.6396 126.6188 59.8085 32.7033 173.1076 16 D 4.6756 8.8815 128.2462 52.7666 42.2430 174.3030 17 P 4.8190 0.0000 0.0000 62.1326 32.4562 175.1352 18 G 3.7317 8.0295 110.4540 47.4473 0.0000 173.4644 19 R 3.6633 8.3220 122.3023 56.3897 28.0755 175.8189 20 Y 5.1076 7.4715 113.5446 56.5715 40.5413 175.2411 21 N 5.0129 8.8459 116.5494 53.2040 41.4208 175.6834 22 K 4.4684 8.1010 116.0945 57.5250 35.0095 177.0490 23 V 4.7763 7.5407 117.6747 62.0111 33.2106 174.8323 24 C 4.9441 8.1709 116.8544 58.8651 32.6561 173.1970 25 R 4.9837 8.5619 123.5736 55.4643 31.6000 174.8570 26 I 5.0126 8.7312 125.6015 59.1091 41.6645 173.3125 27 E 5.1941 9.1148 128.9997 54.3955 32.2858 174.4204 28 A 5.1540 9.0342 127.1110 50.4337 22.9343 174.5092 29 A 5.4590 8.9386 122.3653 50.1278 22.4436 175.6618 30 S 4.5469 8.1936 115.3645 57.5888 63.6720 174.2732 31 T 4.0253 8.6057 122.4915 67.0551 68.6065 175.6366 32 T 3.9835 7.8528 109.2498 64.1865 69.3474 174.7307 33 Q 4.3506 7.2659 122.9972 53.6184 28.6116 174.8335 34 D 4.1251 8.3900 123.0188 58.7043 41.6423 177.4974 35 Q 4.3912 7.9549 122.5452 56.6374 28.4407 176.0870 36 C 5.3615 7.6330 117.6712 57.4926 35.4352 173.3264 37 K 5.2283 8.5285 123.1005 55.0402 36.9127 174.6127 38 L 4.9172 9.0617 124.7377 53.6107 45.5839 175.0697 39 T 5.5089 8.9603 122.6921 60.8578 71.6017 172.8391 40 L 5.0177 8.3154 126.4187 53.9904 46.0745 173.8273 41 D 5.8500 8.8297 125.1765 52.9084 41.5291 175.9745 42 I 4.4840 8.3009 124.5286 59.5027 40.2021 175.1877 43 N 4.9434 9.4605 125.9982 51.5982 35.6066 175.4102 44 V 3.7428 8.7626 122.8185 64.8282 32.1205 176.9883 45 E 3.9903 7.6868 117.8597 56.8855 29.7967 176.5145 46 L 4.4708 8.8129 117.8829 56.2575 43.2077 176.1449 47 F 4.8519 7.9666 121.5245 55.2773 40.7065 171.5589 48 P 4.2894 0.0000 0.0000 62.5865 31.4083 176.4778 49 V 3.8121 7.9492 123.1726 60.4355 31.3444 174.6772 50 A 4.2025 8.2623 130.4412 51.0210 18.1134 176.8273 51 A 4.1308 8.3070 120.7707 53.0204 19.3672 177.2041 52 Q 3.3746 8.7354 117.3939 57.0270 26.9383 173.5031 53 D 4.7592 7.3892 115.1358 52.9500 43.7119 178.3902 54 S 5.2222 7.7818 114.1484 56.6293 61.6714 175.6262 55 L 4.2388 7.8344 120.4527 55.9242 43.4343 178.2570 56 T 4.4938 8.8664 121.5801 62.3910 69.9272 173.9435 57 V 4.8136 8.7187 127.5104 61.9127 33.9648 174.8469 58 T 5.0561 8.4248 121.8248 62.2819 73.7108 173.1386 59 I 5.2184 8.9655 124.9312 58.5351 39.7996 174.5862 60 A 4.6678 8.3849 135.0000 52.6090 20.8268 177.7870 61 S 5.1090 8.3121 113.0622 58.7805 65.5997 175.2711 62 S 4.4817 7.7380 124.3308 58.4803 68.1247 175.8169 63 L 3.6048 8.9524 116.8769 55.3772 41.9604 176.5461 *76 T 4.3170 7.7038 113.1507 63.2390 70.6355 177.5558 77 R 4.5395 8.0051 124.4791 56.1912 29.4946 177.9169 78 S 4.7020 8.4605 123.0400 57.8760 64.3938 172.2342 79 W 4.8863 8.6098 127.6582 55.7638 33.0056 175.9142 80 R 4.4128 7.0748 121.2863 53.2454 32.8828 173.4695 81 P 3.4880 0.0000 0.0000 63.3246 31.1892 175.9534 82 P 3.4245 0.0000 0.0000 62.9923 32.8561 174.9688 83 Q 4.4542 7.4455 112.7942 54.0588 30.9259 176.5632 84 A 4.2155 8.8194 121.8921 53.1026 18.2408 177.8899 85 G 4.0725 8.2540 109.7454 49.5624 0.0000 174.9238 86 D 4.7229 7.7275 114.1303 53.5900 44.3811 176.1203 87 R 3.9686 7.9214 118.2279 56.5385 30.3926 177.0974 88 S 4.4143 8.0807 116.4762 57.1943 63.4627 173.6765 89 L 4.2677 8.0274 127.1022 54.2242 42.8723 178.2098 90 A 4.3694 7.9906 124.1581 51.4859 15.8939 176.5344 91 D 4.8993 7.6246 118.6763 51.8831 41.6713 175.7544 92 D 4.7263 8.5357 125.6653 54.6441 41.4405 175.7989 93 Y 4.5955 7.6982 116.4649 56.1611 39.7577 175.8601 94 D 4.5772 8.8395 124.5963 57.6535 41.8593 176.5833 95 Y 4.4380 7.8342 118.2535 56.6294 42.7207 173.8250 96 V 4.7527 8.1054 126.3162 61.8342 34.5154 174.0650 97 M 4.6133 8.9628 127.4414 53.6270 35.6139 174.1235 98 Y 4.8161 8.4973 120.1245 56.2119 41.4265 174.2247 99 G 4.5388 8.3014 113.9587 44.4563 0.0000 171.5589 100 T 4.9056 7.9323 113.8580 61.4936 72.8055 173.5736 101 A 4.0549 8.3353 127.0111 51.7606 18.9591 176.9058 102 Y 4.7710 7.8148 117.6580 55.6876 39.8801 175.4253 103 K 4.2819 6.6217 118.1876 56.0164 35.5311 172.8965 104 F 4.8565 9.2366 125.8235 55.6446 41.3450 174.5780 105 E 4.5965 8.8752 123.5073 54.4609 33.0031 174.4365 106 E 4.3734 8.9545 126.6857 55.0195 29.2455 177.6210 107 V 3.8796 7.8262 131.0342 61.5650 30.6068 174.1367 108 S 3.8034 7.4558 122.7932 58.5097 63.0256 175.6794 109 K 3.6090 7.9656 117.8676 56.8312 35.1295 174.4839 110 D 4.8021 8.1054 121.5919 53.2702 42.3973 177.4302 111 L 5.0255 7.6034 120.7750 54.8554 39.6498 176.5679 112 I 4.4816 7.8007 122.8595 60.4247 40.1729 173.7843 113 A 4.9230 8.8335 127.8158 50.2572 22.6472 175.6312 114 V 3.9298 8.0277 114.4155 59.4907 35.2542 174.5946 115 Y 4.9182 6.8731 119.0787 56.4427 41.1514 174.3005 116 Y 5.2273 8.9979 121.8974 56.0476 42.0392 174.6435 117 S 4.7747 8.9660 117.3631 56.7419 65.3608 173.1031 118 F 4.8709 9.0938 127.8066 56.0948 38.4768 176.3539 119 G 3.8942 9.2316 117.7457 46.3031 0.0000 171.8935 120 G 3.8538 8.2868 107.8548 44.7244 0.0000 173.5596 121 L 4.3561 8.3167 120.7942 54.7942 42.3786 176.7871 122 L 5.0312 9.3899 125.1065 54.2595 44.2268 176.1237 123 M 5.1651 8.8590 120.5376 54.6851 35.7064 173.3054 124 R 4.9788 9.4719 127.6387 54.5140 32.8390 174.4541 125 L 5.1359 8.2542 126.7241 53.3432 46.2754 174.6010 126 E 4.9004 8.5468 124.6028 54.1664 32.9233 172.5620 127 G 3.8146 8.6544 117.6320 45.8663 0.0000 175.1555 128 N 4.8108 7.6879 120.6871 53.5617 40.1059 174.1662 129 Y 4.8550 6.4766 117.2006 57.2871 38.6211 176.0691 130 R 4.4781 7.8507 116.9666 57.0425 30.1980 177.8850 131 N 4.2234 7.6421 113.7550 57.6166 38.7590 176.2571 132 L 4.4567 7.7741 122.2806 54.5812 41.6864 177.8334 133 N 5.1169 8.3059 114.4974 54.7960 44.9004 176.5414 134 N 5.0158 8.6613 113.3777 52.6091 39.1287 174.9757 135 L 3.8269 8.1594 118.0554 55.4274 42.1876 175.1976 136 K 4.0799 7.5275 124.3872 56.2012 31.4098 175.3685 137 Q 4.7347 8.7946 121.3056 54.2484 31.4283 175.8093 138 E 4.6777 8.6713 119.5495 56.3069 30.6140 176.2422 139 N 4.7991 7.8321 118.6822 54.2245 37.6229 172.8624 140 A 3.8690 9.0554 135.0000 53.0530 18.1202 176.0135 141 Y 5.2209 8.6362 119.7753 56.3297 41.3473 174.5418 142 L 4.9691 8.7472 125.6832 53.5867 44.7132 175.0898 143 L 5.0438 8.5968 124.5893 53.0488 45.4998 175.4815 144 I 5.4255 9.5217 124.6971 58.9198 40.7718 174.7707 145 R 4.8419 8.2852 120.0087 55.0287 33.6682 175.3161 146 R 4.1671 8.2980 117.4026 56.9228 30.9038 176.4450 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 2 S 8.33 4.33 0.00 3.90 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 3 N 8.29 4.35 0.00 2.90 3.17 0.00 0.00 6.93 6.65 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 4 T 8.96 4.32 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 1.27 0.00 0.00 5 L 8.49 5.03 0.00 1.71 1.87 1.07 0.65 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 6 F 8.03 5.21 0.00 3.13 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 7 D 7.65 4.70 0.00 2.53 2.31 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 8 D 8.01 4.26 0.00 2.57 1.94 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 9 I 7.76 4.74 1.80 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 1.32 0.46 0.92 0.00 0.00 10 F 8.94 5.20 0.00 3.10 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 11 Q 9.80 4.90 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 12 V 8.40 4.32 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 0.96 0.00 0.00 1.02 0.00 0.00 13 S 9.18 4.85 0.00 3.79 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 14 E 7.34 4.81 0.00 2.03 1.79 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 2.15 2.16 0.00 15 V 8.64 4.75 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 0.77 0.00 0.00 0.94 0.00 0.00 16 D 8.88 4.68 0.00 2.88 2.63 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 17 P 0.00 4.82 0.00 2.24 2.14 0.00 3.87 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 18 G 8.03 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.32 3.66 0.00 1.66 1.78 0.00 3.08 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 20 Y 7.47 5.11 0.00 3.02 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 21 N 8.85 5.01 0.00 2.73 2.86 0.00 0.00 6.76 7.61 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 22 K 8.10 4.47 0.00 1.64 1.81 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.32 7.81 23 V 7.54 4.78 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 1.06 0.00 0.00 0.85 0.00 0.00 24 C 8.17 4.94 0.00 2.92 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 25 R 8.56 4.98 0.00 2.00 1.83 0.00 3.08 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 26 I 8.73 5.01 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.20 0.92 0.00 0.00 27 E 9.11 5.19 0.00 2.10 1.75 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 2.19 2.27 0.00 28 A 9.03 5.15 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 0.00 0.00 0.00 0.00 0.00 29 A 8.94 5.46 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 30 S 8.19 4.55 0.00 3.75 3.36 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 31 T 8.61 4.03 4.20 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 1.21 0.00 0.00 32 T 7.85 3.98 4.20 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 1.16 0.00 0.00 33 Q 7.27 4.35 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 34 D 8.39 4.13 0.00 2.70 2.61 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 35 Q 7.95 4.39 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 36 C 7.63 5.36 0.00 3.13 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 37 K 8.53 5.23 0.00 1.72 1.63 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.48 7.81 38 L 9.06 4.92 0.00 0.93 0.76 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.96 5.51 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 40 L 8.32 5.02 0.00 1.74 1.42 1.05 1.20 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 41 D 8.83 5.85 0.00 2.86 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 42 I 8.30 4.48 1.92 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 1.24 1.61 0.90 0.00 0.00 43 N 9.46 4.94 0.00 2.79 2.82 0.00 0.00 6.87 7.63 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 44 V 8.76 3.74 2.24 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 1.20 0.00 0.00 0.96 0.00 0.00 45 E 7.69 3.99 0.00 1.96 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 2.34 2.30 0.00 46 L 8.81 4.47 0.00 1.71 1.72 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.97 4.85 0.00 3.66 3.29 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 48 P 0.00 4.29 0.00 2.07 1.98 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 49 V 7.95 3.81 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 0.82 0.00 0.00 0.97 0.00 0.00 50 A 8.26 4.20 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 51 A 8.31 4.13 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 52 Q 8.74 3.37 0.00 2.08 2.13 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 2.41 2.41 0.00 53 D 7.39 4.76 0.00 2.59 2.62 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 54 S 7.78 5.22 0.00 3.76 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.83 4.24 0.00 1.73 1.71 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.87 4.49 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 57 V 8.72 4.81 2.58 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 1.24 0.00 0.00 1.03 0.00 0.00 58 T 8.42 5.06 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 59 I 8.97 5.22 2.02 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 2.40 0.91 0.00 0.00 60 A 8.38 4.67 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 0.00 0.00 0.00 0.00 0.00 61 S 8.31 5.11 0.00 4.07 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 62 S 7.74 4.48 0.00 3.94 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 L 8.95 3.60 0.00 1.60 1.74 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.70 4.32 4.31 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 1.25 0.00 0.00 77 R 8.01 4.54 0.00 1.80 1.43 0.00 3.25 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 78 S 8.46 4.70 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.61 4.89 0.00 3.14 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 80 R 7.07 4.41 0.00 1.43 1.52 0.00 3.19 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 81 P 0.00 3.49 0.00 1.90 1.97 0.00 3.56 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 1.99 2.18 0.00 82 P 0.00 3.42 0.00 1.99 1.95 0.00 3.53 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 1.99 2.13 0.00 83 Q 7.45 4.45 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.09 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 84 A 8.82 4.22 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 85 G 8.25 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 86 D 7.73 4.72 0.00 2.58 2.62 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 87 R 7.92 3.97 0.00 1.74 1.81 0.00 3.27 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 88 S 8.08 4.41 0.00 3.90 3.81 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 89 L 8.03 4.27 0.00 1.64 1.61 0.88 0.90 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 90 A 7.99 4.37 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 91 D 7.62 4.90 0.00 2.92 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 92 D 8.54 4.73 0.00 2.34 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.70 4.60 0.00 2.98 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 94 D 8.84 4.58 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 4.44 0.00 2.37 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 0.00 0.00 0.00 96 V 8.11 4.75 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 0.96 0.00 0.00 0.93 0.00 0.00 97 M 8.96 4.61 0.00 1.44 0.89 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.18 0.00 98 Y 8.50 4.82 0.00 2.64 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 99 G 8.30 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.93 4.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 101 A 8.34 4.05 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 0.00 102 Y 7.81 4.77 0.00 2.82 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 0.00 103 K 6.62 4.28 0.00 1.60 1.60 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.25 7.81 104 F 9.24 4.86 0.00 2.81 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 0.00 105 E 8.88 4.60 0.00 2.05 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 0.00 2.21 2.31 0.00 106 E 8.95 4.37 0.00 1.89 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 2.29 2.24 0.00 107 V 7.83 3.88 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.92 0.00 0.00 108 S 7.46 3.80 0.00 4.09 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 0.00 109 K 7.97 3.61 0.00 1.93 1.87 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.41 7.81 110 D 8.11 4.80 0.00 2.75 2.79 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 0.00 111 L 7.60 5.03 0.00 1.86 1.63 0.98 0.74 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 0.00 112 I 7.80 4.48 1.81 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 1.30 1.38 0.81 0.00 0.00 113 A 8.83 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.03 3.93 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 0.53 0.00 0.00 0.79 0.00 0.00 115 Y 6.87 4.92 0.00 2.10 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 0.00 116 Y 9.00 5.23 0.00 2.73 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 0.00 0.00 0.00 117 S 8.97 4.77 0.00 3.50 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.09 4.87 0.00 3.10 2.97 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 0.00 0.00 0.00 119 G 9.23 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 0.00 120 G 8.29 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 0.00 121 L 8.32 4.36 0.00 1.95 1.86 1.04 0.54 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 0.00 122 L 9.39 5.03 0.00 1.66 1.70 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.86 5.17 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.69 0.00 124 R 9.47 4.98 0.00 2.08 1.80 0.00 3.29 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.21 0.00 125 L 8.25 5.14 0.00 1.71 1.26 0.97 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.55 4.90 0.00 1.89 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 0.00 2.12 2.15 0.00 127 G 8.65 3.81 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 0.00 0.00 0.00 128 N 7.69 4.81 0.00 2.79 2.95 0.00 0.00 5.64 7.55 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 0.00 129 Y 6.48 4.85 0.00 3.09 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 0.00 130 R 7.85 4.48 0.00 1.87 1.97 0.00 2.91 0.00 0.00 3.04 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 131 N 7.64 4.22 0.00 2.74 2.74 0.00 0.00 7.07 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 0.00 132 L 7.77 4.46 0.00 1.68 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.31 5.12 0.00 2.82 2.99 0.00 0.00 6.87 6.92 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 0.00 134 N 8.66 5.02 0.00 2.92 3.05 0.00 0.00 7.10 8.47 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 0.00 135 L 8.16 3.83 0.00 1.70 1.56 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.53 4.08 0.00 1.52 1.69 0.00 0.91 0.00 0.00 1.15 0.00 0.00 2.90 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.12 0.26 7.81 137 Q 8.79 4.73 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 138 E 8.67 4.68 0.00 1.97 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 2.25 2.35 0.00 139 N 7.83 4.80 0.00 2.86 2.58 0.00 0.00 7.13 7.35 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 0.00 140 A 9.06 3.87 1.23 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 0.00 0.00 141 Y 8.64 5.22 0.00 2.88 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 0.00 142 L 8.75 4.97 0.00 1.79 1.05 1.00 0.22 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 0.00 143 L 8.60 5.04 0.00 0.95 0.25 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.52 5.43 1.50 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 2.49 0.81 0.00 0.00 145 R 8.29 4.84 0.00 1.78 2.09 0.00 2.95 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 146 R 8.30 4.17 0.00 1.93 1.96 0.00 3.34 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.