NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3099 8.2649 123.5856 51.7757 20.7647 177.0509 3 E 4.0803 8.1166 116.1153 54.7035 30.3524 173.9686 4 P 4.2643 0.0000 0.0000 63.3505 33.4601 175.6320 5 K 4.9622 8.4983 122.7562 55.7021 34.4158 175.5489 6 F 5.1125 8.7234 119.4737 56.2025 43.4329 174.2790 7 T 4.8693 9.0462 117.5514 61.9295 73.0818 172.7825 8 S 5.2206 8.7885 119.7764 56.4836 65.9393 172.6549 9 F 5.1450 9.2743 124.7548 56.2193 41.6659 174.1413 10 T 5.0919 8.8548 121.1454 62.2971 70.7807 173.6888 11 T 4.7967 9.2443 124.4393 62.1999 70.4683 173.6562 12 A 4.1395 8.7061 129.1398 49.8035 21.3157 174.3718 13 D 5.1277 8.3172 123.1953 52.5298 43.5405 175.0939 14 F 5.0128 8.9725 124.5197 55.6120 41.3918 176.1111 15 I 3.9541 8.6497 122.2494 64.2136 37.2135 175.4854 16 N 4.0199 7.4814 114.8290 51.2049 39.8958 173.6987 17 D 4.0452 7.2989 117.2786 57.0979 41.7371 177.3061 18 V 3.6637 7.7259 118.5005 66.1900 31.8750 178.0779 19 D 4.5680 8.7397 117.3245 55.0019 40.1885 178.0166 *21 E 4.2262 8.2688 121.3008 56.3971 31.7413 177.9036 22 L 3.9033 8.0149 120.0057 58.1350 41.9887 178.7162 23 F 4.1324 7.8876 119.8422 61.4608 39.3574 176.9715 24 I 3.6475 7.7844 118.6553 64.6671 36.9715 177.9676 25 D 4.3673 8.5411 119.7253 57.3487 40.7068 178.8698 26 A 3.9943 8.0006 121.2834 54.9721 18.1586 179.7280 27 V 3.5234 7.4277 115.8544 66.2523 31.9696 177.8672 28 E 4.1733 8.3105 118.1402 59.3876 29.1372 179.1647 29 K 3.9643 8.0695 118.6509 59.3659 32.5620 177.9261 30 T 4.4047 7.9608 107.2469 62.0117 69.1372 176.3252 31 A 2.5800 7.6660 124.7596 54.5853 18.0714 177.7868 32 P 3.9681 0.0000 0.0000 65.3923 31.5184 178.5401 33 V 3.8513 7.6559 117.2148 65.4318 31.5466 178.1709 34 W 4.6060 7.8292 116.0479 58.7617 28.3126 178.0667 35 V 3.5145 6.9312 118.9594 65.5039 31.1827 177.4532 36 K 4.0207 7.7979 118.8729 59.5554 32.1157 178.6294 37 E 3.6387 7.7869 114.3035 57.5271 29.0152 178.7148 *39 K 4.6648 8.2466 120.8291 56.5560 34.0552 178.2962 40 S 4.1759 8.0488 112.4328 60.6116 63.2196 175.1365 41 R 4.3534 7.8666 118.2973 55.9115 30.2579 177.2734 42 G 4.1516 8.0992 106.1018 46.4658 0.0000 173.1384 43 L 4.5338 8.0145 122.2621 55.0061 42.5624 177.3965 44 L 4.1924 9.1787 127.3556 57.3715 42.3166 177.3945 45 K 4.6499 7.6730 117.6866 55.1349 35.6202 174.0054 46 F 5.6393 9.1247 127.6959 55.7764 42.1943 174.5601 47 S 4.1104 6.8803 118.4354 57.1683 66.1089 171.9681 *49 N 4.5246 8.6776 115.2962 53.6760 40.0792 173.5275 50 R 4.7171 8.6460 124.6004 55.3998 31.2599 175.7709 51 V 3.9423 8.6424 127.8863 62.4738 31.5916 175.6452 52 W 4.7855 8.5851 123.6005 56.2422 29.7326 175.7373 53 N 4.8565 7.5351 115.4230 52.5518 36.7980 174.9144 54 K 4.3837 7.9224 116.0902 56.5323 33.1825 177.7492 55 G 3.7306 8.0772 108.0173 45.0230 0.0000 174.0064 56 E 4.1050 8.3135 115.2745 55.4763 28.0431 175.2498 57 V 4.0405 6.7898 112.2764 59.3185 35.5343 176.5334 58 F 4.8591 8.0786 118.7246 55.5270 40.5138 173.0662 59 R 5.2412 8.2396 121.8174 54.6408 33.8342 173.5750 60 V 4.9844 8.9198 118.5110 59.8287 35.8275 175.0692 61 V 5.2522 8.5004 123.0550 60.6055 34.7771 174.4511 *63 T 4.1686 8.1729 115.5963 63.6485 70.1646 172.9764 64 Y 4.8247 8.7166 122.9184 56.3056 41.5629 174.1286 65 E 4.5168 8.7630 124.7302 54.6893 31.8233 174.8951 66 Y 5.2165 8.5040 122.3712 56.0060 40.6827 176.9032 67 K 4.1651 8.9029 124.7592 59.6331 33.1728 176.0186 68 D 5.3418 7.7704 116.2961 52.4000 41.9551 175.8939 69 R 3.4083 8.7891 117.8648 59.3785 29.7935 178.0655 70 A 3.9479 7.9665 120.1132 55.3025 18.4050 179.6267 71 S 4.6696 8.6528 115.2462 61.0930 62.8260 176.6113 72 F 3.2453 8.0225 123.2562 61.1822 39.2099 176.8673 73 E 3.6504 8.0737 117.8314 59.3891 29.2878 179.3363 74 A 3.9855 8.0547 120.6453 55.3497 18.3900 179.4719 75 N 4.5409 8.2637 114.8827 56.2532 38.6252 177.8412 76 I 3.6599 7.9051 121.4486 64.1095 37.0309 178.3479 77 A 3.9008 7.8669 121.4412 55.1764 17.7390 178.8375 78 Y 3.9804 8.0496 118.0699 60.9722 38.7478 178.5230 79 L 4.0099 8.3609 120.0266 57.7570 41.7053 179.2872 80 E 3.8709 8.1631 118.4056 59.7406 29.2509 179.3388 81 D 4.2204 7.8952 117.3773 57.3461 40.8653 178.4609 82 T 3.6726 7.1725 115.1088 64.6660 68.8221 174.9189 83 F 4.4128 7.8648 116.9814 58.8556 41.0991 177.6396 84 G 3.6901 8.1542 107.4465 47.7259 0.0000 174.0301 85 K 4.3418 7.9938 116.6351 55.8946 33.0685 175.9221 86 N 4.6733 8.1566 119.7523 51.8251 39.7145 173.6818 87 P 4.3118 0.0000 0.0000 65.5938 31.2782 178.6938 88 V 3.5819 7.8325 117.2884 65.8102 32.0107 177.1036 89 F 4.3887 8.5731 120.4020 61.5751 38.9937 177.0295 90 L 3.8037 8.2556 118.4862 57.8478 41.1349 179.3937 91 Q 3.9330 7.7963 118.4360 58.8788 29.0242 177.5332 92 L 4.1490 7.5084 120.5284 57.1332 42.2085 177.8747 93 V 4.5422 6.9914 110.8322 61.1305 32.2948 177.5487 94 T 3.8231 8.2094 117.6312 64.9905 67.1695 174.7444 95 T 4.2666 7.7728 108.1452 61.6063 69.5955 174.4712 96 A 4.2243 7.7824 124.5002 51.7192 19.7338 176.9909 97 K 4.5770 8.4735 119.0480 54.5805 35.0096 175.3376 98 F 5.3102 9.0782 123.7993 55.7729 41.4865 175.0871 99 T 4.7903 9.0562 113.3062 60.1831 71.8675 172.8487 100 T 5.2448 8.7256 120.8884 61.9080 71.9022 173.3412 101 S 4.8356 9.2450 122.4154 57.0965 65.0527 173.2330 102 R 5.1209 8.7976 124.5120 55.1940 31.3968 175.9009 103 C 5.1084 9.3047 120.7277 57.8760 32.9411 172.7174 104 L 4.1342 8.5064 123.7916 53.8265 42.8656 176.1584 105 V 3.7523 8.0124 127.1407 63.0010 31.2785 176.0367 106 V 3.7694 8.4975 127.8947 63.8845 32.0703 175.4483 *108 E 4.1957 7.7943 116.1619 56.8690 30.5338 176.0592 109 V 4.0137 8.0356 112.7800 61.9567 32.7311 174.7581 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 A 8.26 4.31 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 3 E 8.12 4.08 0.00 2.11 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 2.35 2.39 0.00 4 P 0.00 4.26 0.00 2.09 1.86 0.00 3.67 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 5 K 8.50 4.96 0.00 1.64 1.82 0.00 1.61 0.00 0.00 1.89 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.67 1.47 7.81 6 F 8.72 5.11 0.00 2.80 2.39 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 7 T 9.05 4.87 4.03 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 0.00 0.00 0.49 0.00 0.00 8 S 8.79 5.22 0.00 4.16 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 9 F 9.27 5.15 0.00 3.05 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 10 T 8.85 5.09 4.63 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 1.52 0.00 0.00 11 T 9.24 4.80 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 1.14 0.00 0.00 12 A 8.71 4.14 0.28 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 13 D 8.32 5.13 0.00 2.56 2.28 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 14 F 8.97 5.01 0.00 3.17 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 15 I 8.65 3.95 1.91 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 1.50 0.76 0.94 0.00 0.00 16 N 7.48 4.02 0.00 2.41 2.61 0.00 0.00 5.96 8.06 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 17 D 7.30 4.05 0.00 2.20 2.52 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 18 V 7.73 3.66 2.12 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 0.90 0.00 0.00 0.87 0.00 0.00 19 D 8.74 4.57 0.00 2.77 2.83 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 *21 E 8.27 4.23 0.00 2.01 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 2.42 2.23 0.00 22 L 8.01 3.90 0.00 1.84 1.83 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.89 4.13 0.00 3.22 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 24 I 7.78 3.65 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.69 0.96 0.00 0.00 25 D 8.54 4.37 0.00 2.67 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 26 A 8.00 3.99 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 27 V 7.43 3.52 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 1.00 0.00 0.00 0.04 0.00 0.00 28 E 8.31 4.17 0.00 2.23 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 2.42 2.55 0.00 29 K 8.07 3.96 0.00 1.89 2.06 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.54 7.81 30 T 7.96 4.40 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 1.39 0.00 0.00 31 A 7.67 2.58 0.97 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 32 P 0.00 3.97 0.00 1.96 2.07 0.00 3.70 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 33 V 7.66 3.85 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 1.17 0.00 0.00 0.96 0.00 0.00 34 W 7.83 4.61 0.00 3.94 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 35 V 6.93 3.51 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 0.62 0.00 0.00 -0.66 0.00 0.00 36 K 7.80 4.02 0.00 1.88 1.89 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 37 E 7.79 3.64 0.00 1.68 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 2.47 2.56 0.00 *39 K 8.25 4.66 0.00 1.79 1.90 0.00 1.96 0.00 0.00 2.04 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.42 7.81 40 S 8.05 4.18 0.00 3.97 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 41 R 7.87 4.35 0.00 2.17 1.99 0.00 2.97 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 42 G 8.10 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 0.00 0.00 0.00 43 L 8.01 4.53 0.00 2.01 1.79 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.18 4.19 0.00 1.61 1.70 0.93 0.88 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 45 K 7.67 4.65 0.00 1.78 1.55 0.00 1.64 0.00 0.00 1.89 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.44 7.81 46 F 9.12 5.64 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 47 S 6.88 4.11 0.00 3.70 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 N 8.68 4.52 0.00 2.70 2.86 0.00 0.00 6.48 7.66 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 50 R 8.65 4.72 0.00 1.89 1.93 0.00 3.56 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 51 V 8.64 3.94 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 0.67 0.00 0.00 0.88 0.00 0.00 52 W 8.59 4.79 0.00 3.43 3.12 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 53 N 7.54 4.86 0.00 2.48 1.69 0.00 0.00 5.88 7.13 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 54 K 7.92 4.38 0.00 1.62 1.72 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.16 1.22 7.81 55 G 8.08 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 56 E 8.31 4.10 0.00 1.90 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 2.27 2.26 0.00 57 V 6.79 4.04 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 0.67 0.00 0.00 0.86 0.00 0.00 58 F 8.08 4.86 0.00 3.27 3.03 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 0.00 0.00 0.00 59 R 8.24 5.24 0.00 1.97 1.68 0.00 3.05 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 60 V 8.92 4.98 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 0.77 0.00 0.00 1.14 0.00 0.00 61 V 8.50 5.25 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 1.12 0.00 0.00 0.91 0.00 0.00 *63 T 8.17 4.17 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 0.98 0.00 0.00 64 Y 8.72 4.82 0.00 2.66 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.76 4.52 0.00 1.77 1.73 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 2.07 2.08 0.00 66 Y 8.50 5.22 0.00 2.93 2.84 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 67 K 8.90 4.17 0.00 2.00 1.95 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.44 7.81 68 D 7.77 5.34 0.00 3.01 2.85 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 69 R 8.79 3.41 0.00 1.92 1.96 0.00 2.52 0.00 0.00 2.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 70 A 7.97 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.65 4.67 0.00 4.16 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 72 F 8.02 3.25 0.00 2.91 2.70 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 73 E 8.07 3.65 0.00 2.04 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 2.33 2.33 0.00 74 A 8.05 3.99 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 75 N 8.26 4.54 0.00 2.72 3.10 0.00 0.00 7.05 6.77 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 76 I 7.91 3.66 1.65 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.77 0.00 0.00 77 A 7.87 3.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.05 3.98 0.00 3.12 3.20 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 79 L 8.36 4.01 0.00 1.88 1.68 0.69 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.16 3.87 0.00 2.09 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 2.27 2.42 0.00 81 D 7.90 4.22 0.00 2.43 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 0.00 0.00 0.00 0.00 82 T 7.17 3.67 2.90 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 -0.15 0.00 0.00 83 F 7.86 4.41 0.00 2.68 1.57 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 84 G 8.15 3.69 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 0.00 0.00 0.00 85 K 7.99 4.34 0.00 1.75 1.78 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.37 7.81 86 N 8.16 4.67 0.00 2.76 2.90 0.00 0.00 6.92 7.15 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 87 P 0.00 4.31 0.00 2.32 2.30 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 88 V 7.83 3.58 2.28 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 0.91 0.00 0.00 0.96 0.00 0.00 89 F 8.57 4.39 0.00 3.33 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 90 L 8.26 3.80 0.00 1.90 1.69 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.80 3.93 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 92 L 7.51 4.15 0.00 1.67 1.65 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 93 V 6.99 4.54 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 0.85 0.00 0.00 0.51 0.00 0.00 94 T 8.21 3.82 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 1.22 0.00 0.00 95 T 7.77 4.27 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 96 A 7.78 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.47 4.58 0.00 1.60 1.63 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.25 7.81 98 F 9.08 5.31 0.00 2.75 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 99 T 9.06 4.79 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 1.22 0.00 0.00 100 T 8.73 5.24 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 1.42 0.00 0.00 101 S 9.25 4.84 0.00 3.99 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 0.00 102 R 8.80 5.12 0.00 1.87 2.25 0.00 3.14 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 103 C 9.30 5.11 0.00 3.10 2.90 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 0.00 104 L 8.51 4.13 0.00 1.55 1.53 0.48 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.01 3.75 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 0.73 0.00 0.00 0.85 0.00 0.00 106 V 8.50 3.77 2.07 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 0.88 0.00 0.00 0.92 0.00 0.00 *108 E 7.79 4.20 0.00 2.14 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 2.16 2.34 0.00 109 V 8.04 4.01 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 0.67 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.