NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 T 4.2826 8.1749 111.0686 61.5902 70.2561 173.0007 17 E 4.1560 8.1578 122.7218 54.8090 30.8839 174.2901 18 D 4.9923 8.3870 122.4025 52.5182 42.1648 176.3013 19 G 3.7149 8.4826 114.6481 47.9002 0.0000 172.2624 20 E 4.4363 7.8190 117.1545 56.9263 31.8311 176.0452 21 T 4.3181 7.4531 106.6520 62.2298 70.1942 172.1295 22 V 4.4569 7.2783 120.4238 61.0776 34.6120 174.5880 23 K 4.2965 8.4000 126.7779 56.0221 33.4232 176.0141 24 V 4.5582 8.7759 125.0955 61.2613 33.3682 174.7958 25 F 4.5628 9.2613 127.7410 56.9654 40.4361 176.6393 26 E 4.8116 9.2709 118.0026 55.5592 31.2806 176.2769 27 D 4.6742 7.5942 118.0771 50.5071 43.8924 175.8470 28 L 3.8040 8.2049 120.7856 57.9457 41.5891 179.5048 29 Q 3.9863 8.0869 119.0424 59.2207 28.9298 178.6335 30 G 3.5063 8.7816 106.9867 47.5842 0.0000 175.3440 31 F 3.1096 7.5854 122.7688 60.7256 39.3934 176.8557 32 E 3.6419 8.6060 119.1826 59.4472 29.3694 178.8902 33 T 3.7425 7.9115 115.9113 66.3136 68.4277 176.2005 34 F 4.0299 8.0387 122.8159 61.5275 39.3781 177.2751 35 I 3.2691 7.3192 118.8454 64.0542 36.8124 178.3151 36 A 4.0946 7.7086 122.8611 54.8071 18.2436 179.5201 37 N 4.2459 8.3183 115.3771 56.4310 38.4832 177.5462 38 E 3.9147 8.0206 119.9121 59.0293 29.4404 179.5421 39 T 3.8957 7.6997 116.2458 66.6457 68.3156 176.2740 40 E 4.0560 7.9914 119.7865 58.9774 29.5987 176.9970 41 D 4.6215 7.7089 116.5439 53.8455 40.8346 175.8897 42 D 4.7967 8.1412 116.9606 55.5896 40.2338 173.6786 43 D 4.7299 8.2496 115.3520 53.3677 41.0367 178.4743 44 F 4.1278 7.7411 116.8015 59.2997 38.1485 175.5972 45 D 4.2800 6.4958 118.7373 53.7096 40.2489 175.3564 46 H 5.1229 7.8603 115.9026 55.1859 28.2487 172.8143 47 L 5.0506 8.5458 119.6052 53.6055 45.7994 177.5356 48 H 5.5848 8.8907 120.6066 55.8894 32.4616 172.2620 49 C 5.1235 9.6832 120.0936 57.0589 33.7242 172.8146 50 K 5.4406 9.3691 118.5345 54.8066 36.4268 175.2587 51 L 5.1134 8.8558 123.0359 53.8766 45.1600 174.3707 52 N 5.5044 8.9986 123.9764 51.6852 41.4601 173.2591 53 Y 4.4805 8.2717 120.6830 56.5426 41.5884 173.3511 54 Y 4.2956 8.2291 117.8092 55.5938 39.5836 174.3759 55 P 4.0015 0.0000 0.0000 61.7650 32.4308 175.2661 56 P 4.0721 0.0000 0.0000 65.9512 31.2212 178.8277 57 F 4.2506 8.1857 112.9316 60.0692 37.0526 177.6759 58 V 3.4739 6.2069 118.9337 64.1993 31.1610 178.4769 59 L 4.1053 7.4657 119.2775 57.8220 41.3249 178.8786 60 H 4.7661 7.8796 116.7712 58.0892 28.7136 177.0453 61 E 4.3218 7.9459 118.6174 57.5048 29.6381 177.0544 62 S 4.6628 7.0649 116.2986 58.5569 64.1542 173.9400 63 H 4.1318 8.8673 113.3904 56.8422 26.2163 174.5340 64 E 3.7649 8.2739 115.2412 56.9862 27.5442 174.7154 65 D 4.6648 7.8180 117.6293 52.1288 43.8059 173.7199 66 P 3.7380 0.0000 0.0000 65.4561 31.4312 178.1548 67 E 4.1286 8.5094 116.1235 57.7825 29.4326 177.4265 68 K 4.4375 7.7528 117.3135 55.8015 32.7777 176.4103 69 I 3.9873 7.1265 120.7275 60.1860 37.6896 176.0853 70 S 4.1956 8.5388 119.6224 58.3642 62.7561 174.7770 71 D 4.3763 8.6196 125.9926 56.7429 40.7408 177.4773 72 A 4.0218 7.9216 120.9540 53.8404 18.5995 178.0068 73 A 4.1729 7.5377 119.3548 51.1705 16.8415 175.9496 74 N 3.8339 7.2584 118.2344 52.0605 39.7757 176.0582 75 S 4.3292 8.5773 113.0479 61.3964 62.8572 174.8309 76 H 4.3806 8.7376 117.2546 56.3662 28.8669 175.2574 77 S 4.6803 8.3210 116.3154 56.5600 63.4459 174.3309 78 K 3.9753 8.7126 129.4939 59.5398 31.8023 179.0970 79 K 3.7834 8.0164 119.3280 59.2869 32.1659 178.3896 80 F 4.2978 8.2739 120.8976 61.4638 39.3286 177.2581 81 V 3.8209 8.2221 117.8143 66.0030 31.3548 177.9203 82 R 3.8433 8.1591 118.5429 59.9578 29.9789 178.3252 83 H 3.8929 7.8568 116.0766 58.2039 28.2975 177.6976 84 L 3.8953 7.5869 122.5114 58.4230 41.9105 178.3368 85 H 3.4306 8.2893 118.5366 59.2762 29.6531 177.0754 86 Q 3.8444 8.0418 119.7369 59.1855 28.4557 178.3818 87 H 4.2000 8.0603 119.2395 59.0975 29.8328 177.2430 88 I 3.4956 7.7974 121.9861 64.6253 36.7580 178.3085 89 E 3.8315 7.9179 117.4189 58.3349 29.3011 178.5706 90 K 4.2388 7.7088 117.2676 57.3974 33.2138 176.5692 91 H 4.6873 8.0192 113.3280 57.0107 30.7545 175.8906 92 L 3.8927 7.5026 121.0367 58.4383 42.0103 179.0509 93 L 4.0045 8.0759 119.1734 57.4152 41.4634 179.3940 94 K 3.8838 7.9459 119.2262 59.5902 32.1900 178.2876 95 D 4.3442 8.4389 119.4604 57.4634 40.7852 178.8970 96 I 3.5972 7.7970 120.0875 64.3855 37.1388 178.6046 97 K 3.9327 8.4240 119.6489 59.5046 31.9938 179.1304 98 Q 3.8750 8.2198 119.5534 59.1703 28.4311 178.3006 99 A 3.9174 7.9877 121.7676 54.8513 18.2127 179.1250 100 V 3.7350 7.5507 107.7563 60.8092 31.9403 176.3895 101 R 3.8307 7.5801 116.2924 57.4279 28.2992 177.0118 102 K 4.6180 7.9074 113.2621 54.1467 32.4445 175.8733 103 P 4.1709 0.0000 0.0000 65.2221 31.8799 177.9162 104 E 4.3286 7.9048 116.2334 55.8042 29.7963 175.9874 105 L 3.9557 7.6302 121.9553 55.0130 42.6149 176.2934 106 K 4.4577 8.0712 123.2230 54.4182 35.1425 175.8912 107 F 4.5001 8.6463 121.2996 57.1479 38.9198 175.5413 108 H 4.6182 9.0476 123.1187 56.5594 29.4770 175.2718 109 E 4.8143 8.5345 119.7309 54.4436 31.7610 175.2890 110 K 5.1537 8.6482 123.2210 54.8047 36.3590 175.7246 111 S 4.7341 8.7538 117.0898 56.9391 67.0759 172.6779 112 K 4.8490 8.4085 121.1028 54.6836 35.0871 174.7357 113 E 4.5588 9.0350 128.0630 54.2390 32.5864 173.6741 114 E 4.9875 8.8296 127.8724 54.5990 31.5155 174.8463 115 T 4.6838 8.6789 116.7659 59.1131 71.7950 174.5590 116 F 4.3226 8.8970 122.7508 60.9114 39.4630 175.3251 117 D 4.6645 7.7654 119.9251 54.9236 41.9549 175.7973 118 K 4.9753 7.8649 116.7587 55.8542 36.5014 174.7225 119 I 4.7583 8.5589 121.7331 59.7232 40.2319 174.7696 120 T 4.9432 8.5493 123.2086 61.5501 71.5375 172.9125 121 W 5.1716 9.4066 126.7760 55.2815 31.8326 174.6135 122 H 5.4822 8.9568 123.4897 54.5875 32.7529 171.9871 123 Y 4.9801 8.9034 122.3113 56.1097 41.3124 174.7426 124 G 4.6461 9.4204 111.2517 44.6500 0.0000 171.1440 125 E 5.1023 9.1477 122.7301 54.7667 33.5789 173.6914 126 E 4.6191 8.7975 126.9370 56.4233 30.6727 175.7518 127 T 4.5615 8.4673 119.0070 61.4825 71.0574 171.9072 128 E 5.3850 8.4776 116.3371 55.8564 32.5090 173.5667 129 Y 4.6842 9.1958 120.4756 58.0803 42.0856 174.4424 130 H 3.9598 8.9382 122.4443 56.9212 26.4850 175.6800 131 G 3.9329 8.4417 103.5385 45.8348 0.0000 173.8738 132 R 4.7154 8.1391 119.8091 53.2898 32.3130 173.3986 133 P 5.2861 0.0000 0.0000 62.8468 32.9222 175.2406 134 F 5.3750 9.2048 116.9425 55.7099 42.0571 172.5536 135 K 4.7855 9.2150 121.9269 55.0000 34.2301 174.8571 136 I 4.7290 8.7847 128.5939 59.8852 39.4856 174.2402 137 D 5.4169 9.0913 127.1297 52.4645 44.0167 174.9508 138 V 4.9715 9.0489 124.2263 61.1396 34.1101 173.8360 139 Q 5.2734 9.3755 129.6048 54.3685 31.8077 174.1566 140 V 5.0782 9.2901 125.8514 61.2041 34.8560 174.0923 141 V 5.1846 9.3332 128.0725 61.2746 34.3861 173.9992 142 C 5.6936 9.3770 122.1285 56.7792 33.5075 172.5005 143 T 5.2177 8.2840 108.4176 60.2377 72.0068 173.8420 144 H 4.4491 9.1258 121.5967 58.4475 29.6706 176.3498 145 E 4.0127 7.9710 117.9044 59.1001 29.5519 175.6835 146 D 4.2686 7.4104 114.9117 53.0103 41.5125 175.4385 147 A 4.0414 8.3797 122.5709 50.8458 17.7353 176.0248 *149 V 4.0357 7.7131 119.9820 63.0817 33.5667 173.8400 150 F 5.1175 9.2115 125.5185 55.9433 41.7923 174.1462 151 V 4.9501 9.2208 124.8940 61.2297 33.8748 173.9500 152 D 5.4531 9.5134 126.9664 52.6580 44.4821 173.3894 153 Y 5.2832 9.4936 127.2892 55.7788 41.5754 174.1623 154 K 5.2635 8.5159 127.4481 55.0812 35.9922 174.8453 155 T 5.8058 9.2793 116.9364 59.5831 72.0722 172.6184 156 H 5.4634 8.2434 115.6537 54.3545 31.7516 171.1278 157 P 4.8748 0.0000 0.0000 63.1583 30.7000 175.6324 158 V 4.1770 8.6266 122.5525 61.8084 33.6478 176.3456 159 G 3.9664 8.9636 114.5809 46.3094 0.0000 173.4817 160 A 4.2776 7.3292 120.6501 51.7090 19.0875 178.5047 161 N 4.6266 8.5151 116.2980 53.4597 39.2515 174.8106 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 16 T 8.17 4.28 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 1.26 0.00 0.00 17 E 8.16 4.16 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 18 D 8.39 4.99 0.00 2.56 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 19 G 8.48 3.71 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 0.00 0.00 0.00 20 E 7.82 4.44 0.00 1.87 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 2.18 2.22 0.00 21 T 7.45 4.32 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 1.23 0.00 0.00 22 V 7.28 4.46 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 0.81 0.00 0.00 0.83 0.00 0.00 23 K 8.40 4.30 0.00 1.17 0.74 0.00 0.93 0.00 0.00 1.30 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.15 7.81 24 V 8.78 4.56 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 1.00 0.00 0.00 0.89 0.00 0.00 25 F 9.26 4.56 0.00 3.16 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 26 E 9.27 4.81 0.00 1.96 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 2.21 2.21 0.00 27 D 7.59 4.67 0.00 2.84 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 28 L 8.20 3.80 0.00 1.61 1.70 0.92 0.60 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 29 Q 8.09 3.99 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 30 G 8.78 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.59 3.11 0.00 2.86 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 32 E 8.61 3.64 0.00 2.14 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 2.23 2.45 0.00 33 T 7.91 3.74 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 1.19 0.00 0.00 34 F 8.04 4.03 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 35 I 7.32 3.27 1.36 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.24 0.48 0.00 0.00 36 A 7.71 4.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.32 4.25 0.00 2.72 2.79 0.00 0.00 7.10 7.26 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 38 E 8.02 3.91 0.00 1.60 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 1.51 1.47 0.00 39 T 7.70 3.90 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 0.82 0.00 0.00 40 E 7.99 4.06 0.00 1.93 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 2.32 2.41 0.00 41 D 7.71 4.62 0.00 2.75 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 42 D 8.14 4.80 0.00 2.91 2.80 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 43 D 8.25 4.73 0.00 2.86 2.57 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 44 F 7.74 4.13 0.00 2.78 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 45 D 6.50 4.28 0.00 2.61 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.86 5.12 0.00 2.95 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.55 5.05 0.00 1.82 1.85 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.89 5.58 0.00 3.19 3.27 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 9.68 5.12 0.00 3.31 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 50 K 9.37 5.44 0.00 1.75 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.44 7.81 51 L 8.86 5.11 0.00 1.02 0.81 0.65 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.00 5.50 0.00 2.58 2.35 0.00 0.00 6.11 7.10 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 53 Y 8.27 4.48 0.00 2.89 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 Y 8.23 4.30 0.00 2.87 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 55 P 0.00 4.00 0.00 1.90 1.86 0.00 3.60 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.62 0.00 56 P 0.00 4.07 0.00 2.18 2.10 0.00 3.31 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 2.07 2.14 0.00 57 F 8.19 4.25 0.00 3.30 3.31 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 58 V 6.21 3.47 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 0.66 0.00 0.00 0.97 0.00 0.00 59 L 7.47 4.11 0.00 1.65 1.77 0.95 0.90 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 60 H 7.88 4.77 0.00 3.28 3.34 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.95 4.32 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 62 S 7.06 4.66 0.00 3.93 3.82 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 63 H 8.87 4.13 0.00 3.28 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.27 3.76 0.00 2.12 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 2.24 2.38 0.00 65 D 7.82 4.66 0.00 2.53 2.43 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 66 P 0.00 3.74 0.00 2.07 1.38 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.85 0.00 67 E 8.51 4.13 0.00 2.06 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 2.32 2.25 0.00 68 K 7.75 4.44 0.00 1.98 1.81 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.46 7.81 69 I 7.13 3.99 1.81 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.39 0.82 0.00 0.00 70 S 8.54 4.20 0.00 3.85 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 71 D 8.62 4.38 0.00 2.67 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 72 A 7.92 4.02 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 73 A 7.54 4.17 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 74 N 7.26 3.83 0.00 2.95 2.65 0.00 0.00 5.88 7.64 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 75 S 8.58 4.33 0.00 4.01 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 76 H 8.74 4.38 0.00 3.22 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.32 4.68 0.00 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.71 3.98 0.00 1.82 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.46 7.81 79 K 8.02 3.78 0.00 1.83 1.87 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.60 1.49 7.81 80 F 8.27 4.30 0.00 3.36 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 81 V 8.22 3.82 2.36 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 1.26 0.00 0.00 1.27 0.00 0.00 82 R 8.16 3.84 0.00 1.91 1.81 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 83 H 7.86 3.89 0.00 1.46 1.89 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.59 3.90 0.00 1.48 1.73 0.84 1.34 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 85 H 8.29 3.43 0.00 3.12 3.34 0.00 5.84 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 86 Q 8.04 3.84 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 87 H 8.06 4.20 0.00 3.34 3.47 0.00 5.79 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 88 I 7.80 3.50 1.63 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 0.64 0.00 0.00 89 E 7.92 3.83 0.00 1.75 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 2.04 2.14 0.00 90 K 7.71 4.24 0.00 1.71 1.65 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.43 7.81 91 H 8.02 4.69 0.00 3.14 3.21 0.00 5.82 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 92 L 7.50 3.89 0.00 1.70 1.71 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.08 4.00 0.00 1.56 1.71 -0.12 0.11 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 94 K 7.95 3.88 0.00 1.76 1.94 0.00 1.69 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 95 D 8.44 4.34 0.00 2.98 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 96 I 7.80 3.60 2.14 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 1.16 0.00 0.00 97 K 8.42 3.93 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.68 7.81 98 Q 8.22 3.87 0.00 2.08 2.31 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 2.29 2.33 0.00 99 A 7.99 3.92 1.22 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 0.00 0.00 0.00 100 V 7.55 3.74 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 0.90 0.00 0.00 0.98 0.00 0.00 101 R 7.58 3.83 0.00 1.73 1.97 0.00 2.92 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 102 K 7.91 4.62 0.00 1.65 1.59 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.41 7.81 103 P 0.00 4.17 0.00 2.14 2.15 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 104 E 7.90 4.33 0.00 1.93 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 2.24 2.20 0.00 105 L 7.63 3.96 0.00 1.47 1.46 0.66 -0.50 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 0.00 106 K 8.07 4.46 0.00 1.57 1.56 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.31 7.81 107 F 8.65 4.50 0.00 3.23 3.23 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 0.00 108 H 9.05 4.62 0.00 3.20 3.39 0.00 5.61 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.53 4.81 0.00 2.24 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 2.29 2.34 0.00 110 K 8.65 5.15 0.00 1.57 1.51 0.00 1.82 0.00 0.00 1.89 0.00 0.00 3.21 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.39 1.66 7.81 111 S 8.75 4.73 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 0.00 112 K 8.41 4.85 0.00 1.69 1.57 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.49 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.93 0.55 7.81 113 E 9.04 4.56 0.00 1.94 1.63 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 2.12 2.15 0.00 114 E 8.83 4.99 0.00 1.83 1.70 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 2.09 2.15 0.00 115 T 8.68 4.68 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 1.20 0.00 0.00 116 F 8.90 4.32 0.00 3.00 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 0.00 117 D 7.77 4.66 0.00 2.97 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 0.00 118 K 7.86 4.98 0.00 1.92 1.84 0.00 1.22 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.38 7.81 119 I 8.56 4.76 1.51 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 1.00 0.64 -0.32 0.00 0.00 120 T 8.55 4.94 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 1.26 0.00 0.00 121 W 9.41 5.17 0.00 3.40 2.80 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 0.00 122 H 8.96 5.48 0.00 3.24 3.08 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.90 4.98 0.00 2.17 1.60 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 0.00 124 G 9.42 4.65 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 0.00 125 E 9.15 5.10 0.00 2.03 1.68 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 1.96 2.18 0.00 126 E 8.80 4.62 0.00 1.85 1.81 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 2.27 2.30 0.00 127 T 8.47 4.56 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 0.46 0.00 0.00 128 E 8.48 5.38 0.00 2.29 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 2.19 2.34 0.00 129 Y 9.20 4.68 0.00 2.90 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 0.00 0.00 0.00 130 H 8.94 3.96 0.00 3.18 3.25 0.00 5.84 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 0.00 131 G 8.44 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 0.00 132 R 8.14 4.72 0.00 2.23 1.97 0.00 3.16 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 133 P 0.00 5.29 0.00 2.18 2.24 0.00 3.81 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.03 0.00 134 F 9.20 5.37 0.00 3.31 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 0.00 135 K 9.22 4.79 0.00 1.74 1.32 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.49 7.81 136 I 8.78 4.73 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.55 1.19 0.00 0.00 137 D 9.09 5.42 0.00 2.55 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 9.05 4.97 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 1.18 0.00 0.00 1.11 0.00 0.00 139 Q 9.38 5.27 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 140 V 9.29 5.08 2.50 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 1.18 0.00 0.00 1.10 0.00 0.00 141 V 9.33 5.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.02 0.00 0.00 142 C 9.38 5.69 0.00 3.44 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.28 5.22 4.52 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 0.00 0.00 1.33 0.00 0.00 144 H 9.13 4.45 0.00 2.89 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.97 4.01 0.00 1.93 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 2.26 0.00 146 D 7.41 4.27 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.38 4.04 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 *149 V 7.71 4.04 1.65 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 0.99 0.00 0.00 0.83 0.00 0.00 150 F 9.21 5.12 0.00 3.04 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 0.00 151 V 9.22 4.95 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 0.99 0.00 0.00 1.03 0.00 0.00 152 D 9.51 5.45 0.00 2.93 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 0.00 153 Y 9.49 5.28 0.00 3.54 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 5.26 0.00 1.72 1.50 0.00 1.23 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.45 7.81 155 T 9.28 5.81 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 1.29 0.00 0.00 156 H 8.24 5.46 0.00 3.24 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.87 0.00 2.00 2.06 0.00 3.65 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 158 V 8.63 4.18 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 0.98 0.00 0.00 0.93 0.00 0.00 159 G 8.96 3.97 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 0.00 0.00 0.00 160 A 7.33 4.28 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 0.00 161 N 8.52 4.63 0.00 2.67 2.69 0.00 0.00 6.80 7.56 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 * Residues marked with a * may have inaccurate shift predictions.