NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.3354 8.2549 121.1200 56.6138 30.4274 172.6080 12 T 4.3929 8.8655 119.8700 61.3441 70.7178 171.8552 13 Y 4.8678 9.5762 125.5323 57.2604 39.0027 175.0915 14 L 4.6687 9.0898 123.9535 55.6833 43.8027 176.3611 15 Y 4.7367 7.8090 118.5279 56.7572 42.3628 173.5437 16 R 5.3289 7.7417 125.2246 53.7092 31.5727 174.8544 17 G 4.0563 8.0740 116.7125 44.3473 0.0000 171.7376 18 R 4.0153 8.6811 118.2020 58.7683 30.4097 177.4689 19 I 4.3604 7.4934 107.8123 60.2535 38.4403 174.6056 20 L 4.8929 7.2403 119.9812 55.3173 43.6608 173.5214 21 N 5.5071 9.1301 117.0417 51.5031 42.9265 173.0402 22 L 5.2219 9.3622 124.9725 53.5196 44.3403 175.0792 23 A 5.1496 9.3910 127.1140 50.1284 23.5611 174.1844 24 L 5.1236 8.9323 118.0152 52.5171 45.6247 177.8455 25 E 4.5605 8.9993 123.9246 55.3421 28.8592 175.1301 26 G 4.0094 7.6696 113.2704 43.7108 0.0000 173.2033 27 R 4.2512 7.6554 120.3943 56.6956 32.3999 176.9071 28 Y 4.1864 7.7555 116.0149 57.7700 38.4687 173.9544 29 E 4.8771 8.8391 124.5530 55.3799 30.8276 175.4711 30 I 4.7521 8.8754 126.4434 59.4199 40.5770 174.9532 31 V 4.8451 8.9446 127.7651 61.2468 33.0788 174.5750 32 E 4.7332 9.2568 129.3413 56.6737 30.6311 175.7448 33 H 5.3512 9.5586 123.1039 54.3174 33.3154 173.2583 34 K 4.3434 8.5519 124.0844 55.7860 32.8898 175.0517 35 P 4.7045 0.0000 0.0000 63.0486 33.1205 174.4272 36 A 5.2061 9.2578 121.6795 50.4842 23.4841 175.0429 37 V 5.1872 8.8467 110.7565 59.9873 36.3588 175.1818 38 A 5.1342 9.0825 123.0013 50.5410 22.9802 175.3083 39 V 4.7646 8.7188 121.5802 61.1876 34.0072 174.8483 40 I 4.3464 8.9880 129.4802 60.0278 38.8702 174.7901 41 A 5.1309 8.3424 127.9678 50.0614 22.3737 174.3076 42 L 5.2518 8.7433 123.7783 53.2006 44.9541 175.8136 43 R 4.4396 9.2194 125.4866 56.2040 32.9497 174.6358 44 E 3.7983 9.8183 125.4643 57.5499 26.6808 175.8249 45 G 4.0140 8.3320 105.3480 45.5446 0.0000 173.5213 46 R 4.7549 7.8235 119.4380 54.7238 32.6505 175.0651 47 M 4.7558 9.0739 123.2964 54.2509 34.4179 175.1624 48 L 3.6091 8.0933 127.8527 54.1167 41.4808 175.8794 49 F 5.0144 8.5649 124.5915 55.9879 41.9831 175.1482 50 V 5.0540 8.8654 112.8297 60.0472 36.2127 174.9573 51 R 5.2066 8.9364 121.3314 54.8890 34.1234 174.2498 52 Q 4.8616 8.2669 117.8813 55.1091 32.0429 173.2192 53 M 4.2809 8.6851 121.0401 55.7438 32.8595 176.1008 54 R 4.5192 8.2830 125.9281 53.3805 30.6621 174.5146 55 P 4.2050 0.0000 0.0000 65.4458 31.3848 178.9550 56 A 4.0371 8.1165 120.8713 54.2734 18.3979 178.1392 57 V 4.1802 7.1567 103.7556 60.4640 33.2281 176.8770 58 G 3.9159 9.4374 107.8394 45.4246 0.0000 172.6708 59 L 4.2944 7.3641 118.4694 54.7513 43.0024 173.9728 60 A 4.9119 8.4349 121.5375 48.8940 18.7389 174.4944 61 P 4.6374 0.0000 0.0000 62.9829 33.2536 175.8454 62 L 4.2781 9.0681 123.6865 54.9981 43.0544 175.4890 63 E 5.4717 9.2003 125.8622 54.5828 33.9394 174.4175 64 I 4.8963 7.8138 111.6171 58.2510 40.8936 173.7965 65 P 4.4943 0.0000 0.0000 63.7392 31.9650 175.2996 66 A 4.9537 8.2576 124.8430 50.7377 23.0466 174.7954 67 G 4.3589 7.8787 105.8032 46.1194 0.0000 172.2471 68 L 4.8715 8.3830 119.6995 54.1488 42.7497 177.2593 69 I 4.0301 8.2078 123.9857 61.2388 37.7590 176.0537 70 E 4.5054 9.4625 127.3203 54.4272 31.3213 174.4923 71 P 4.3736 0.0000 0.0000 64.5669 31.4944 177.0332 72 G 3.8954 8.9373 109.6289 45.2853 0.0000 172.4879 73 E 4.6670 7.8030 120.4346 54.4777 31.4694 175.3614 74 D 4.8193 8.6671 125.2603 51.0477 42.9180 175.8054 75 P 4.2137 0.0000 0.0000 65.8142 31.2286 178.5526 76 L 3.0899 7.9353 118.2696 58.0548 41.9824 178.7559 77 E 3.8545 8.5595 118.2982 59.2709 29.3174 179.2244 78 A 4.1277 8.0033 120.6634 54.9241 18.3992 179.5031 79 A 3.7668 7.8788 119.5295 55.1179 18.3535 179.7712 80 R 3.6754 7.6492 117.1270 59.5133 30.1979 178.5934 81 R 3.8244 7.9587 118.3983 59.6474 30.2130 178.3098 82 E 4.0175 8.4811 118.6960 59.2136 29.4556 179.1467 83 L 3.8906 7.9482 120.2503 57.9690 42.1092 178.9964 84 A 4.1389 7.8749 122.0244 54.7945 18.1683 179.5540 85 E 3.9004 8.4829 116.1912 59.4014 29.6152 178.9138 86 E 4.3109 8.2543 117.5335 57.7494 29.9440 177.2016 87 T 4.4277 7.4832 105.2593 59.9082 70.3061 174.4762 88 G 3.9066 8.4901 110.7306 46.3298 0.0000 172.8684 89 L 5.4839 7.3868 117.5402 52.6321 45.5335 175.5641 90 S 4.6513 8.7904 114.2452 57.3921 66.9892 173.2271 91 G 4.4392 8.1152 106.2248 46.1233 0.0000 171.7463 92 D 4.8383 8.8727 120.8111 53.4316 41.7912 176.1656 93 L 5.2172 8.4809 123.8961 53.7152 43.7271 176.3388 94 T 4.7650 8.8667 119.0859 61.6856 72.3190 172.7725 95 Y 3.4549 8.8742 127.8426 57.8673 39.0516 174.0531 96 L 3.9403 6.8810 126.2654 54.3789 42.9678 176.6761 97 F 4.4415 5.4650 110.4327 56.4085 40.8436 171.4942 98 S 5.3892 8.7299 112.8335 57.2825 66.3791 172.6623 99 Y 4.7932 8.0599 116.6460 55.9806 40.7163 173.4736 100 F 4.8143 8.7770 120.3260 56.5609 39.8888 177.1439 101 V 4.0441 8.3257 118.2927 64.8579 31.9255 176.6996 102 S 4.8021 7.3453 106.0334 56.8481 62.9953 174.1190 103 P 4.4149 0.0000 0.0000 64.1809 31.4420 179.4237 104 G 3.8149 8.0495 107.6190 47.7809 0.0000 174.0625 105 F 5.0316 7.8202 110.8503 56.7404 41.8809 173.9893 106 T 5.0749 7.3276 113.9484 59.0306 69.9527 172.6333 107 D 4.7839 8.3716 123.9584 53.0143 40.7625 175.8109 108 E 3.9985 7.9298 122.3492 57.0246 30.7515 175.3723 109 K 4.6076 8.6996 127.6685 54.7247 35.4295 174.2960 110 T 4.8375 8.1475 124.1062 62.0312 71.2207 172.8535 111 H 5.1111 9.3033 124.2551 54.3057 30.8526 173.9275 112 V 4.8381 8.7134 124.5756 61.4421 33.3604 174.6967 113 F 5.0329 9.2953 125.8201 55.4930 43.2002 173.4947 114 L 5.0361 8.9116 123.0100 53.3404 44.2532 174.8082 115 A 5.2294 8.9986 128.0212 50.3138 21.1528 175.3437 116 E 4.6624 8.8286 120.6200 53.8716 34.3811 175.1052 117 N 4.2030 8.6324 115.4629 54.4617 36.0592 175.1152 118 L 4.6456 7.6470 116.3460 55.0335 43.1579 178.6489 119 K 4.6755 8.9640 120.9844 55.2241 36.4527 174.7896 120 E 4.6488 8.9028 124.5039 56.2915 29.6234 176.4746 121 V 4.3047 8.5596 120.3418 61.5369 33.6042 175.6179 122 E 4.6764 7.9454 120.0407 56.5645 37.3917 177.5334 *131 I 4.2012 7.9926 112.0755 60.3202 42.0497 177.9306 132 E 4.4203 9.3737 123.7970 54.6425 30.7944 174.9297 133 V 3.9622 8.3941 127.8347 62.6104 32.6107 175.7612 134 V 4.3958 8.9353 128.7251 60.6154 32.6557 172.9548 135 W 5.0246 8.6478 125.5088 56.3814 29.9781 175.1906 136 M 4.9850 9.4451 123.8085 54.0955 36.0253 174.2578 137 R 4.5391 8.7014 124.0394 55.1377 31.0785 175.9980 138 P 4.5200 0.0000 0.0000 65.8726 31.1989 178.7337 139 E 4.1585 8.1471 117.0076 59.5079 29.3602 179.0525 140 E 4.0345 8.1230 118.0129 59.1369 29.6660 178.9568 141 A 3.8666 8.1338 120.9622 55.0395 18.3749 179.4684 142 L 4.1801 8.3269 118.9903 58.2358 42.1877 178.7792 143 E 4.1776 8.1799 120.5872 58.9172 29.5897 178.8876 144 R 3.8569 8.2518 118.4485 59.5583 30.0593 178.5416 145 H 4.2970 8.0149 119.1362 58.9136 29.3412 177.4032 146 Q 3.9651 8.3697 119.8108 58.5844 28.2926 178.1762 147 R 4.2931 7.7147 116.9576 56.0253 30.4252 177.4355 148 G 3.8316 7.8047 107.1224 45.6475 0.0000 174.3942 149 E 4.0849 8.1745 122.1684 58.1192 29.9800 177.0818 150 V 4.4972 7.1905 116.3905 60.0859 35.1635 174.1778 151 E 4.7017 8.5808 121.0466 55.1371 32.1996 174.7010 152 F 5.6400 8.5847 119.7015 55.9800 42.0627 175.4082 153 S 4.7739 8.7398 116.4674 56.9809 65.2751 175.0534 154 A 3.9891 8.7857 122.0273 55.6001 18.0169 180.0026 155 T 4.0286 8.0988 107.9417 64.9079 68.9164 176.8764 156 G 3.7919 8.2644 108.6743 47.4748 0.0000 175.4837 157 L 3.0420 7.7956 123.0215 57.4463 42.0438 179.1245 158 V 3.6358 7.9882 118.5956 65.8539 31.4399 178.1691 159 G 3.6973 8.2563 105.4222 47.8758 0.0000 175.7659 160 V 3.8294 7.8832 121.0903 65.8003 31.5792 178.1627 161 L 4.0401 8.3690 119.1699 57.8275 41.3419 178.8064 162 Y 4.0994 8.6772 120.0458 60.7505 38.6969 177.4501 163 Y 4.0990 8.3818 120.3696 61.3252 38.7834 177.9877 164 H 3.7855 8.1730 115.0651 58.3776 28.7639 177.2738 165 A 3.7720 7.3131 121.8738 53.6758 18.6295 177.9950 166 F 4.7866 7.6418 111.6950 56.8554 40.9394 175.5531 167 L 4.5729 7.7087 119.3618 54.3484 42.1203 176.7180 168 R 3.9432 7.4470 123.4044 56.3310 30.0984 176.2348 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 11 R 8.25 4.34 0.00 1.79 1.94 0.00 3.00 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.34 0.00 12 T 8.87 4.39 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 1.25 0.00 0.00 13 Y 9.58 4.87 0.00 2.85 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 14 L 9.09 4.67 0.00 1.58 1.79 0.95 0.81 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 15 Y 7.81 4.74 0.00 3.06 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 16 R 7.74 5.33 0.00 1.59 1.66 0.00 3.15 0.00 0.00 3.69 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 17 G 8.07 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 18 R 8.68 4.02 0.00 1.85 2.00 0.00 3.22 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 19 I 7.49 4.36 1.79 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.91 0.00 0.00 20 L 7.24 4.89 0.00 2.01 1.85 1.17 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 21 N 9.13 5.51 0.00 2.90 2.96 0.00 0.00 6.78 6.19 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 22 L 9.36 5.22 0.00 1.87 1.72 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 A 9.39 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.93 5.12 0.00 1.48 1.51 0.92 1.01 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 25 E 9.00 4.56 0.00 1.99 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 2.20 2.17 0.00 26 G 7.67 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 0.00 0.00 0.00 27 R 7.66 4.25 0.00 1.62 1.63 0.00 3.06 0.00 0.00 2.82 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.42 0.00 28 Y 7.76 4.19 0.00 3.13 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 29 E 8.84 4.88 0.00 1.91 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 2.27 2.34 0.00 30 I 8.88 4.75 1.85 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 1.15 0.95 0.90 0.00 0.00 31 V 8.94 4.85 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 1.16 0.00 0.00 1.23 0.00 0.00 32 E 9.26 4.73 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 33 H 9.56 5.35 0.00 3.08 3.07 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.55 4.34 0.00 1.65 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.41 7.81 35 P 0.00 4.70 0.00 2.16 2.21 0.00 3.65 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 2.08 1.99 0.00 36 A 9.26 5.21 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 37 V 8.85 5.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 38 A 9.08 5.13 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 39 V 8.72 4.76 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 0.79 0.00 0.00 0.90 0.00 0.00 40 I 8.99 4.35 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.34 0.97 0.00 0.00 41 A 8.34 5.13 1.18 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 42 L 8.74 5.25 0.00 1.70 1.65 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.22 4.44 0.00 1.84 1.20 0.00 3.25 0.00 0.00 2.80 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 0.00 44 E 9.82 3.80 0.00 1.97 1.92 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 2.14 2.14 0.00 45 G 8.33 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 0.00 0.00 0.00 46 R 7.82 4.75 0.00 1.91 2.12 0.00 2.91 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 1.69 0.00 47 M 9.07 4.76 0.00 1.62 1.65 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.12 0.00 48 L 8.09 3.61 0.00 0.45 1.08 -0.29 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.56 5.01 0.00 3.31 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 50 V 8.87 5.05 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 0.76 0.00 0.00 0.95 0.00 0.00 51 R 8.94 5.21 0.00 1.86 1.76 0.00 3.13 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 52 Q 8.27 4.86 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 53 M 8.69 4.28 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 54 R 8.28 4.52 0.00 1.99 1.87 0.00 3.40 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 55 P 0.00 4.20 0.00 2.23 2.34 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 56 A 8.12 4.04 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 57 V 7.16 4.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.05 0.00 0.00 58 G 9.44 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 59 L 7.36 4.29 0.00 1.83 1.75 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.43 4.91 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 61 P 0.00 4.64 0.00 2.15 2.10 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.01 0.00 62 L 9.07 4.28 0.00 1.54 1.56 0.77 0.30 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 63 E 9.20 5.47 0.00 2.01 1.92 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 2.30 2.48 0.00 64 I 7.81 4.90 2.00 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 0.71 0.83 0.00 0.00 65 P 0.00 4.49 0.00 2.03 2.00 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 66 A 8.26 4.95 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 67 G 7.88 4.36 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 0.00 68 L 8.38 4.87 0.00 1.53 1.61 0.99 0.80 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 69 I 8.21 4.03 1.87 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 1.22 0.60 0.89 0.00 0.00 70 E 9.46 4.51 0.00 1.94 1.84 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 2.29 2.38 0.00 71 P 0.00 4.37 0.00 2.15 2.05 0.00 3.78 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 1.97 1.96 0.00 72 G 8.94 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 0.00 0.00 0.00 0.00 73 E 7.80 4.67 0.00 1.95 1.92 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 2.23 2.17 0.00 74 D 8.67 4.82 0.00 2.92 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 75 P 0.00 4.21 0.00 2.31 2.26 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.93 0.00 76 L 7.94 3.09 0.00 1.78 1.76 0.80 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.56 3.85 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 78 A 8.00 4.13 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 79 A 7.88 3.77 0.74 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 0.00 0.00 80 R 7.65 3.68 0.00 1.78 2.02 0.00 3.06 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 81 R 7.96 3.82 0.00 1.87 2.01 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 82 E 8.48 4.02 0.00 1.94 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 2.47 2.51 0.00 83 L 7.95 3.89 0.00 1.80 1.78 0.86 1.29 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 84 A 7.87 4.14 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 85 E 8.48 3.90 0.00 1.88 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 2.52 0.00 86 E 8.25 4.31 0.00 1.98 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 2.30 2.42 0.00 87 T 7.48 4.43 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 1.08 0.00 0.00 88 G 8.49 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 0.00 0.00 0.00 89 L 7.39 5.48 0.00 1.66 1.59 1.10 0.84 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 90 S 8.79 4.65 0.00 3.82 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 91 G 8.12 4.44 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 0.00 0.00 0.00 92 D 8.87 4.84 0.00 2.61 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 93 L 8.48 5.22 0.00 1.50 1.61 0.69 0.83 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 94 T 8.87 4.77 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 1.19 0.00 0.00 95 Y 8.87 3.45 0.00 2.70 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 96 L 6.88 3.94 0.00 0.27 0.13 -0.25 0.71 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 97 F 5.47 4.44 0.00 2.86 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.73 5.39 0.00 3.64 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 99 Y 8.06 4.79 0.00 2.99 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 0.00 100 F 8.78 4.81 0.00 3.13 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 0.00 101 V 8.33 4.04 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 0.58 0.00 0.00 0.89 0.00 0.00 102 S 7.35 4.80 0.00 3.94 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 0.00 103 P 0.00 4.41 0.00 2.12 2.13 0.00 3.82 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 104 G 8.05 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 0.00 105 F 7.82 5.03 0.00 3.34 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 0.00 106 T 7.33 5.07 3.22 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 0.70 0.00 0.00 107 D 8.37 4.78 0.00 2.76 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 0.00 108 E 7.93 4.00 0.00 1.84 1.77 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 2.19 2.36 0.00 109 K 8.70 4.61 0.00 1.55 1.41 0.00 1.20 0.00 0.00 1.58 0.00 0.00 2.51 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.78 0.29 7.81 110 T 8.15 4.84 2.86 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 1.14 0.00 0.00 111 H 9.30 5.11 0.00 3.30 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.71 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 0.92 0.00 0.00 1.24 0.00 0.00 113 F 9.30 5.03 0.00 2.94 2.86 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 0.00 114 L 8.91 5.04 0.00 1.49 1.42 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 115 A 9.00 5.23 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 0.00 116 E 8.83 4.66 0.00 1.92 1.84 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 2.26 2.29 0.00 117 N 8.63 4.20 0.00 2.96 2.85 0.00 0.00 6.95 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 0.00 118 L 7.65 4.65 0.00 1.63 1.71 1.22 1.00 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 0.00 119 K 8.96 4.68 0.00 1.78 1.85 0.00 1.31 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.39 7.81 120 E 8.90 4.65 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 121 V 8.56 4.30 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 1.00 0.00 0.00 122 E 7.95 4.68 0.00 2.03 1.76 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 2.18 2.28 0.00 *131 I 7.99 4.20 2.03 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 1.24 0.89 0.97 0.00 0.00 132 E 9.37 4.42 0.00 2.06 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 2.27 2.26 0.00 133 V 8.39 3.96 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 0.62 0.00 0.00 0.89 0.00 0.00 134 V 8.94 4.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.06 0.00 0.00 135 W 8.65 5.02 0.00 3.24 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 0.00 136 M 9.45 4.99 0.00 2.33 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 137 R 8.70 4.54 0.00 1.96 2.05 0.00 3.51 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.66 0.00 138 P 0.00 4.52 0.00 1.63 2.09 0.00 3.01 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 0.52 1.91 0.00 139 E 8.15 4.16 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 140 E 8.12 4.03 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 141 A 8.13 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 0.00 142 L 8.33 4.18 0.00 2.03 1.97 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.18 4.18 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 144 R 8.25 3.86 0.00 1.91 1.98 0.00 3.09 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 145 H 8.01 4.30 0.00 2.57 3.40 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 0.00 146 Q 8.37 3.97 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 147 R 7.71 4.29 0.00 1.93 1.93 0.00 3.20 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 148 G 7.80 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.17 4.08 0.00 1.88 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 2.27 2.35 0.00 150 V 7.19 4.50 1.92 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 0.43 0.00 0.00 0.74 0.00 0.00 151 E 8.58 4.70 0.00 1.88 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 2.25 0.00 152 F 8.58 5.64 0.00 2.83 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 0.00 153 S 8.74 4.77 0.00 4.02 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 0.00 154 A 8.79 3.99 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 0.00 155 T 8.10 4.03 4.35 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 1.38 0.00 0.00 156 G 8.26 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.80 3.04 0.00 1.32 1.59 0.53 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.99 3.64 2.27 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 1.09 0.00 0.00 0.66 0.00 0.00 159 G 8.26 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.88 3.83 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 1.18 0.00 0.00 1.16 0.00 0.00 161 L 8.37 4.04 0.00 1.69 1.66 0.83 0.58 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 0.00 162 Y 8.68 4.10 0.00 3.39 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 8.38 4.10 0.00 3.24 3.28 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 0.00 164 H 8.17 3.79 0.00 3.16 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.31 3.77 0.38 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 0.00 166 F 7.64 4.79 0.00 2.32 2.73 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 0.00 167 L 7.71 4.57 0.00 1.67 1.78 1.29 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.45 3.94 0.00 1.56 1.67 0.00 3.12 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.93 0.00 * Residues marked with a * may have inaccurate shift predictions.