NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5687 8.1633 118.3398 55.2724 33.5905 173.5647 2 I 4.8105 8.2372 120.5172 59.4499 39.8287 173.3078 3 S 5.4883 10.1325 123.6050 56.7822 67.4081 172.6048 4 L 5.4155 8.8309 122.0440 53.1297 44.6986 175.4114 5 I 5.2527 8.4485 122.0479 59.5297 40.9467 174.0854 6 A 4.8577 8.8731 128.5455 51.0889 23.2554 174.6055 7 A 5.0331 8.7391 121.0494 50.2308 21.1179 175.8606 8 L 4.9758 8.9540 122.9713 53.3134 45.1000 176.9127 9 A 4.7939 8.5944 125.2918 49.6148 21.7751 176.6622 10 V 3.7463 8.0875 110.4888 63.4669 31.9240 176.9128 11 D 4.4911 9.2014 121.5204 55.2489 38.0923 174.3817 12 R 4.0354 8.0517 115.2041 57.0820 28.3349 175.9507 13 V 4.3253 7.4609 117.7423 62.9151 32.5380 175.0339 14 I 5.1053 8.1925 119.7425 58.5114 41.0014 175.1912 15 G 3.6424 8.8344 109.5436 47.1043 0.0000 172.4103 16 M 4.5373 8.7555 121.0069 56.4101 34.0278 175.6848 17 E 4.5563 7.8549 114.8446 57.6698 33.3978 175.3142 18 N 4.5167 7.8991 113.9752 52.3401 39.3976 174.9756 19 A 4.0363 8.1007 123.4705 52.2116 19.1471 177.5998 20 M 3.7598 7.8232 120.5489 54.3550 32.8688 176.1840 21 P 4.4707 0.0000 0.0000 60.5142 29.8549 174.3410 22 W 4.9721 6.8640 117.7491 56.6232 31.3236 174.7930 23 N 4.8932 9.3687 117.4960 52.7374 39.9820 172.7076 24 L 5.0276 8.1633 126.2411 51.0413 42.5367 175.3776 25 P 4.2615 0.0000 0.0000 65.4293 31.7102 177.6203 26 A 4.0706 8.1850 119.5962 55.1886 18.1972 179.2128 27 D 4.5429 7.8586 116.6164 57.4525 41.2415 178.5009 28 L 4.1221 7.8732 118.9697 57.5952 41.6085 179.1018 29 A 4.1171 8.2315 121.0354 54.7512 18.2766 179.5291 30 W 3.9290 8.1307 126.6597 60.3351 30.5719 178.0645 31 F 3.8613 8.5727 120.7887 61.0406 38.8815 176.9755 32 K 3.7654 8.5872 119.6171 59.6131 31.8427 178.6159 33 R 3.7296 7.7740 117.5948 59.2721 30.0082 177.4518 34 N 4.1425 7.3536 113.9673 53.8308 38.9137 175.5635 35 T 4.0939 6.7873 109.1876 60.5069 70.3974 173.9617 36 L 3.8293 7.3708 124.6291 56.8482 42.3548 176.2091 37 D 4.5469 8.8986 123.5770 54.8449 38.8904 173.2959 38 K 4.8125 7.4951 118.1590 53.7101 36.6921 173.4926 39 P 4.7803 0.0000 0.0000 62.4410 33.3425 175.2904 40 V 4.8264 8.8593 114.9279 59.6978 35.4067 174.4335 41 I 4.8878 8.6202 126.2787 59.7398 39.4921 174.7316 42 M 5.1217 9.0003 123.5998 53.8407 35.8176 174.4440 43 G 4.1592 8.6060 107.1916 44.9800 0.0000 174.9772 44 R 4.2501 8.6171 118.4815 59.7426 29.9503 178.0841 45 H 4.3248 8.1908 115.7687 59.0134 28.7392 177.7093 46 T 3.8992 7.9481 117.2127 66.2603 68.3121 176.1629 47 W 4.3770 8.1908 129.9374 60.8581 30.4837 177.9379 48 E 3.6846 7.9965 116.7518 59.2403 28.9125 179.2000 49 S 4.1979 7.7857 114.7374 61.4264 62.9161 176.4982 50 I 3.7640 7.7479 122.2545 63.4063 37.0254 177.7803 51 G 3.6318 7.8921 105.5417 44.3359 0.0000 173.1028 52 R 4.2045 6.6311 115.0549 54.7476 30.9149 172.2761 53 P 4.6988 0.0000 0.0000 62.9476 31.8577 176.3689 54 L 4.2434 9.3188 123.2863 53.9150 41.7207 175.6345 55 P 4.3443 0.0000 0.0000 63.5642 32.1469 177.0877 56 G 3.9352 9.0510 108.5236 45.9803 0.0000 172.9176 57 R 4.9241 7.2396 116.9699 53.9284 34.7266 174.7639 58 K 4.2060 8.3429 123.6904 55.7810 33.5747 175.3663 59 N 4.9929 8.6633 125.9602 52.2797 40.0620 174.0319 60 I 4.6784 8.5719 125.8110 59.3544 40.2528 174.7745 61 I 4.4826 8.6047 128.6610 59.3081 38.9191 174.4048 62 L 4.9073 8.7451 130.7110 54.3743 42.9085 175.1945 63 S 4.6137 8.7499 119.0114 57.6711 65.8261 176.1750 64 S 4.2194 8.9374 119.6361 60.9526 62.5944 174.4324 65 Q 4.2456 7.9397 120.9087 55.2253 30.0303 173.3291 *66 P 4.7334 0.0000 0.0000 60.7077 31.9333 172.4029 67 G 2.0000 7.6905 114.5776 44.5609 0.0000 173.6780 68 T 3.8087 6.9612 118.2562 63.0688 68.8760 173.3342 69 D 5.1753 8.3002 120.1999 52.4004 41.5534 175.6978 70 D 4.7147 8.6068 123.7782 55.1202 40.2440 178.4588 71 R 3.9247 9.1614 118.6561 57.9151 30.2080 175.8634 72 V 4.3896 6.8593 108.9964 59.6006 35.2639 174.6306 73 T 4.4974 8.3989 117.9586 61.8895 70.5516 174.0515 74 W 5.0149 8.7753 126.2017 55.2059 30.8024 175.8456 75 V 4.6832 9.3717 120.3130 60.2910 34.9600 177.2126 76 K 4.7044 10.0319 122.2209 54.0520 33.1721 177.6513 77 S 4.7864 7.5059 111.4121 56.5442 67.4030 174.9080 78 V 3.6346 8.2198 121.0547 66.2015 31.1891 177.7251 79 D 4.3566 7.9964 118.0867 57.4981 40.7790 178.3367 80 E 3.9791 8.8392 119.1347 59.3227 29.2122 179.3580 81 A 4.0016 7.9968 119.6940 55.2382 18.8498 179.3498 82 I 3.8523 8.3016 118.4976 64.6297 37.1821 178.4455 83 A 4.0045 8.0703 121.2572 55.2473 17.9829 179.4505 84 A 3.9348 7.8579 118.0568 55.4700 18.4097 179.2854 85 C 4.2115 7.9897 114.5250 62.4370 28.7114 175.4686 86 G 3.7240 8.2632 108.2452 45.2242 0.0000 173.4262 87 D 4.7063 8.4525 120.1149 52.8678 40.1256 175.8373 88 V 4.5992 7.6416 115.6799 58.4152 35.6933 174.6049 89 P 4.4022 0.0000 0.0000 65.2279 31.4330 176.9492 90 E 4.9648 7.8067 117.0467 54.6270 32.8299 174.4574 91 I 4.5047 8.9779 127.5456 59.8113 40.2196 174.2400 92 M 4.8532 8.7481 126.3251 53.6993 34.1879 174.9891 93 V 4.3886 9.0313 124.8575 61.1315 33.2267 175.6685 94 I 4.6127 8.7309 121.4554 60.8103 38.5972 175.6451 95 G 2.8514 7.9234 109.3430 44.4963 0.0000 173.0274 96 G 4.2400 8.1421 105.1287 43.8573 0.0000 173.5307 97 G 4.0907 8.9157 106.3338 48.5890 0.0000 175.7025 98 R 4.1209 7.9884 120.4677 58.7630 30.0881 179.2624 99 V 3.7689 7.7348 117.5574 66.2377 31.5776 177.5802 100 Y 4.4328 8.2570 117.0612 61.0018 37.4220 178.0503 101 E 4.0112 8.2905 119.1624 59.6573 29.6466 179.1744 102 Q 4.0618 8.1414 117.0403 58.3356 29.0955 177.8077 103 F 4.4067 8.2573 116.8534 57.6752 39.3959 177.4961 104 L 4.1041 8.0884 121.5823 57.9958 41.6370 177.0750 105 P 4.3362 0.0000 0.0000 65.4934 31.0541 177.3137 106 K 4.3709 7.8267 115.1202 55.3899 32.8887 176.6630 107 A 4.6105 7.8863 123.5803 52.2647 19.2679 177.0451 108 Q 4.6317 9.1003 121.4941 56.2802 31.8271 174.9912 109 K 5.4950 8.1699 118.4961 55.0169 36.4262 174.5658 110 L 5.3087 8.7441 123.8517 53.1409 45.7801 175.0518 111 Y 5.1808 9.2791 121.5384 56.4525 40.4360 174.7335 112 L 5.2050 9.6728 124.6342 53.0546 46.1419 176.0235 113 T 4.7727 8.5801 118.7755 62.2464 71.0611 172.9870 114 H 5.0438 8.9180 125.4535 54.6318 30.5659 174.4347 115 I 4.5373 8.8812 125.4142 59.1591 39.3991 175.9754 116 D 5.0253 8.5211 128.3979 53.2180 38.5720 175.3625 117 A 4.7770 7.5755 121.0790 50.0968 23.3478 175.7887 118 E 4.5339 8.9887 122.1501 55.0375 30.2752 175.9358 119 V 4.4746 8.1808 123.1301 60.8088 34.5258 174.3238 120 E 4.4334 8.7258 125.7427 55.4241 30.3211 175.9861 121 G 4.1908 8.1199 110.7985 44.8296 0.0000 172.8840 122 D 4.5048 8.6688 119.8618 57.3583 41.6016 177.7782 123 T 4.4307 7.5962 115.2062 63.7878 69.8785 173.3124 124 H 5.4768 8.5759 119.8054 53.8251 33.0244 173.1018 125 F 4.4713 9.4565 123.9481 57.3896 39.9358 173.5344 126 P 4.2513 0.0000 0.0000 62.5709 31.7144 175.7168 127 D 4.4785 8.7031 121.5713 54.4102 41.5039 174.9205 128 Y 4.8558 8.3211 124.6345 55.1621 40.2374 175.4604 129 E 4.3528 8.8685 124.1518 54.0465 28.6162 174.4155 130 P 4.5690 0.0000 0.0000 64.7232 31.9407 177.3741 131 D 4.8629 8.8191 116.5359 53.3857 40.4285 181.0700 132 D 4.9665 7.9901 117.0391 54.8011 43.0036 175.7497 133 W 5.3392 8.1016 117.7931 54.7145 33.0918 174.0292 134 E 4.6855 9.4046 125.6443 54.4112 31.1074 174.7535 135 S 4.8458 8.8930 122.6231 58.5121 62.7532 173.5798 136 V 4.4601 8.8305 126.2726 62.7859 33.0585 175.0552 137 F 4.8606 7.9492 120.1437 58.0920 42.8129 172.5398 138 S 4.8284 7.5678 119.9432 56.9338 65.6151 172.7816 139 E 4.3434 9.0831 128.4451 54.8897 32.6596 173.5336 140 F 4.7742 8.6964 129.4562 57.3843 41.3049 174.4480 141 H 4.4008 7.0653 120.8499 53.7496 32.6242 172.9891 142 D 4.8635 8.5638 121.4704 52.8258 41.8954 175.9294 143 A 4.4577 8.5647 122.1603 52.2663 19.7226 176.4749 144 D 4.4738 8.7028 116.7218 52.7895 41.8548 175.8031 145 A 4.0999 8.6712 120.8234 54.6764 18.4948 178.3433 146 Q 4.4156 8.7758 113.8951 55.8884 30.6845 175.4142 147 N 5.0856 7.8967 115.8096 51.0576 39.6511 175.7684 148 S 4.0985 9.0409 120.0021 61.2809 63.3760 173.5266 149 H 5.0019 7.7242 115.9877 53.9498 33.7768 172.6466 150 S 4.5296 8.5906 115.2784 58.8648 64.0475 173.3568 151 Y 4.8588 7.2640 120.2943 55.6962 41.8772 173.2723 152 C 4.7392 8.7352 120.8878 57.5504 34.8044 173.0155 153 F 4.7592 8.2435 125.5253 57.2985 40.0818 174.4198 154 E 5.3601 9.3713 122.9093 55.0105 33.6000 173.6276 155 I 5.0908 9.1419 126.9201 59.5438 40.6446 174.4917 156 L 5.4261 8.9350 125.9374 52.9914 45.6616 175.1965 157 E 5.3497 9.0526 121.6736 54.3952 32.6789 175.3212 158 R 3.6246 8.6767 125.6759 55.8443 30.6612 176.4373 159 R 4.2099 8.1846 122.6706 56.2209 29.2694 176.0332 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 1 M 8.16 4.57 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 2 I 8.24 4.81 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 1.08 0.00 0.00 3 S 10.13 5.49 0.00 3.85 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.83 5.42 0.00 1.76 1.72 1.13 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.45 5.25 1.78 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.25 1.06 0.00 0.00 6 A 8.87 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.74 5.03 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 8 L 8.95 4.98 0.00 1.53 1.59 0.74 0.30 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 9 A 8.59 4.79 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 0.00 0.00 10 V 8.09 3.75 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 1.01 0.00 0.00 0.98 0.00 0.00 11 D 9.20 4.49 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.05 4.04 0.00 2.27 2.27 0.00 3.18 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 13 V 7.46 4.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.01 0.00 0.00 14 I 8.19 5.11 2.11 0.00 0.00 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 1.31 1.01 1.26 0.00 0.00 15 G 8.83 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 16 M 8.76 4.54 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 17 E 7.85 4.56 0.00 1.83 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 2.17 2.34 0.00 18 N 7.90 4.52 0.00 2.69 2.66 0.00 0.00 6.85 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 19 A 8.10 4.04 1.11 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 0.00 0.00 20 M 7.82 3.76 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 21 P 0.00 4.47 0.00 2.16 2.01 0.00 3.28 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 22 W 6.86 4.97 0.00 3.28 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 23 N 9.37 4.89 0.00 2.82 2.75 0.00 0.00 7.39 6.74 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 24 L 8.16 5.03 0.00 1.49 1.06 0.12 0.90 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 25 P 0.00 4.26 0.00 2.16 2.11 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 26 A 8.19 4.07 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 27 D 7.86 4.54 0.00 2.47 2.64 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 28 L 7.87 4.12 0.00 1.90 1.75 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.23 4.12 1.48 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 0.00 0.00 30 W 8.13 3.93 0.00 2.95 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 31 F 8.57 3.86 0.00 3.31 3.27 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 32 K 8.59 3.77 0.00 1.99 1.92 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.45 7.81 33 R 7.77 3.73 0.00 1.72 1.90 0.00 3.15 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 0.00 34 N 7.35 4.14 0.00 1.95 1.78 0.00 0.00 6.83 7.58 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 35 T 6.79 4.09 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 0.37 0.00 0.00 36 L 7.37 3.83 0.00 1.69 1.50 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.90 4.55 0.00 2.79 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 38 K 7.50 4.81 0.00 1.62 1.55 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.40 7.81 39 P 0.00 4.78 0.00 2.12 2.10 0.00 3.49 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 1.99 2.06 0.00 40 V 8.86 4.83 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 0.65 0.00 0.00 0.98 0.00 0.00 41 I 8.62 4.89 1.49 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.76 0.00 0.00 42 M 9.00 5.12 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 43 G 8.61 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 44 R 8.62 4.25 0.00 2.10 1.98 0.00 3.59 0.00 0.00 3.80 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.96 0.00 45 H 8.19 4.32 0.00 3.32 3.36 0.00 5.87 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 46 T 7.95 3.90 4.29 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 1.23 0.00 0.00 47 W 8.19 4.38 0.00 3.31 3.34 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 48 E 8.00 3.68 0.00 2.09 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 2.72 2.55 0.00 49 S 7.79 4.20 0.00 3.96 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 50 I 7.75 3.76 1.74 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 1.37 0.58 0.88 0.00 0.00 51 G 7.89 3.63 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 0.00 0.00 0.00 52 R 6.63 4.20 0.00 1.89 1.83 0.00 3.04 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.30 0.00 53 P 0.00 4.70 0.00 2.14 2.15 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 54 L 9.32 4.24 0.00 1.64 1.68 1.13 1.11 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 55 P 0.00 4.34 0.00 2.18 1.96 0.00 3.70 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 56 G 9.05 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 0.00 0.00 0.00 57 R 7.24 4.92 0.00 1.80 1.76 0.00 3.09 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 58 K 8.34 4.21 0.00 1.75 1.63 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.35 7.81 59 N 8.66 4.99 0.00 2.59 2.58 0.00 0.00 6.91 7.41 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 60 I 8.57 4.68 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.83 0.00 0.00 61 I 8.60 4.48 0.78 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.62 0.00 0.00 62 L 8.75 4.91 0.00 1.75 1.61 1.14 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.75 4.61 0.00 4.01 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 64 S 8.94 4.22 0.00 3.89 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 65 Q 7.94 4.25 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.44 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 *66 P 0.00 4.73 0.00 2.08 1.82 0.00 3.75 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 1.88 1.57 0.00 67 G 7.69 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 6.96 3.81 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 69 D 8.30 5.18 0.00 3.07 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 70 D 8.61 4.71 0.00 2.92 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.37 0.00 0.00 79 D 8.00 4.36 0.00 2.73 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 80 E 8.84 3.98 0.00 2.11 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 2.35 2.35 0.00 81 A 8.00 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.30 3.85 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.98 0.00 0.00 83 A 8.07 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.86 3.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.99 4.21 0.00 3.08 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 86 G 8.26 3.72 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 0.00 0.00 0.00 87 D 8.45 4.71 0.00 2.67 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 88 V 7.64 4.60 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 0.72 0.00 0.00 0.96 0.00 0.00 89 P 0.00 4.40 0.00 2.02 2.10 0.00 3.62 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 2.00 2.05 0.00 90 E 7.81 4.96 0.00 1.91 1.72 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 2.17 2.38 0.00 91 I 8.98 4.50 1.86 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 1.21 0.57 0.82 0.00 0.00 92 M 8.75 4.85 0.00 1.73 1.91 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 93 V 9.03 4.39 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 0.66 0.00 0.00 0.30 0.00 0.00 94 I 8.73 4.61 2.15 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 1.04 0.00 0.00 95 G 7.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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5.21 0.00 1.29 1.15 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.58 4.77 4.17 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 0.96 0.00 0.00 114 H 8.92 5.04 0.00 3.01 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.88 4.54 1.28 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.81 0.32 0.00 0.00 116 D 8.52 5.03 0.00 2.59 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 0.00 117 A 7.58 4.78 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 0.00 118 E 8.99 4.53 0.00 2.01 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 2.31 2.33 0.00 119 V 8.18 4.47 2.16 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 0.81 0.00 0.00 1.06 0.00 0.00 120 E 8.73 4.43 0.00 2.00 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 2.29 2.31 0.00 121 G 8.12 4.19 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 0.00 122 D 8.67 4.50 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.60 4.43 4.29 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 1.31 0.00 0.00 124 H 8.58 5.48 0.00 3.07 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.46 4.47 0.00 2.97 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.25 0.00 1.91 1.90 0.00 2.20 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.90 0.00 127 D 8.70 4.48 0.00 2.66 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 0.00 128 Y 8.32 4.86 0.00 2.93 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 0.00 129 E 8.87 4.35 0.00 2.24 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 2.31 1.88 0.00 130 P 0.00 4.57 0.00 2.21 2.41 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.26 0.00 131 D 8.82 4.86 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 7.99 4.97 0.00 3.02 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.10 5.34 0.00 3.28 3.15 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 0.00 134 E 9.40 4.69 0.00 2.05 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 2.28 2.28 0.00 135 S 8.89 4.85 0.00 4.17 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 0.00 136 V 8.83 4.46 2.16 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 0.90 0.00 0.00 1.04 0.00 0.00 137 F 7.95 4.86 0.00 3.25 2.96 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 0.00 0.00 0.00 138 S 7.57 4.83 0.00 3.79 3.53 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 0.00 0.00 0.00 0.00 139 E 9.08 4.34 0.00 1.62 1.69 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 2.13 2.22 0.00 140 F 8.70 4.77 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.07 4.40 0.00 1.40 2.42 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.56 4.86 0.00 2.51 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 0.00 143 A 8.56 4.46 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 0.00 144 D 8.70 4.47 0.00 2.88 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 0.00 145 A 8.67 4.10 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 0.00 146 Q 8.78 4.42 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 147 N 7.90 5.09 0.00 3.05 2.75 0.00 0.00 6.62 7.45 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 0.00 148 S 9.04 4.10 0.00 3.96 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 7.72 5.00 0.00 3.04 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.59 4.53 0.00 3.80 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 0.00 151 Y 7.26 4.86 0.00 2.56 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 0.00 152 C 8.74 4.74 0.00 2.96 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 F 8.24 4.76 0.00 2.86 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 0.00 0.00 0.00 154 E 9.37 5.36 0.00 2.06 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 2.53 0.00 155 I 9.14 5.09 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.08 0.63 0.00 0.00 156 L 8.94 5.43 0.00 1.45 1.71 0.81 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 157 E 9.05 5.35 0.00 1.96 1.85 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 2.24 2.25 0.00 158 R 8.68 3.62 0.00 0.76 1.49 0.00 3.11 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.00 159 R 8.18 4.21 0.00 2.04 1.82 0.00 3.26 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 * Residues marked with a * may have inaccurate shift predictions.