NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.7196 8.3033 117.8272 54.6691 30.7366 173.1704 1C H 3.7062 8.6177 115.1084 56.4569 26.2749 172.5305 1D H 4.1421 9.0357 114.1565 57.1777 26.9670 174.1473 1E H 5.0555 7.9226 113.6315 53.8432 32.8578 173.5302 1F H 4.5700 8.9120 117.1130 56.0809 28.8577 174.4790 1G F 4.7595 8.4786 120.1499 57.8187 40.0547 174.5928 2 N 4.5788 8.5419 117.2461 52.4500 38.8541 174.5068 3 L 4.8074 8.1343 123.2943 52.1870 44.0738 174.4459 4 P 4.5578 0.0000 0.0000 60.7030 32.7626 173.8873 5 P 4.1585 0.0000 0.0000 62.4371 31.1867 176.7666 6 G 3.6846 8.2405 112.4376 46.5005 0.0000 172.9637 7 N 4.6941 7.1925 115.1205 52.6521 40.3343 174.5002 8 Y 4.8307 7.4141 111.8400 57.8901 38.3100 177.9825 9 K 4.1269 7.5158 120.1763 57.2062 32.7276 177.7266 10 K 4.6010 7.4159 119.2408 53.6202 34.9348 174.3831 11 P 4.6018 0.0000 0.0000 63.2717 32.2526 175.3732 12 K 4.9214 9.2098 120.2132 54.7777 37.0959 174.5026 13 L 4.9794 8.9311 120.3376 53.3186 44.8062 176.5403 14 L 4.8003 8.7709 124.5747 53.9961 42.4169 174.3706 15 Y 5.0549 8.9236 126.1675 55.7486 40.2323 174.2168 16 C 4.0267 7.7629 126.5726 58.0535 32.7556 173.5305 17 S 3.9456 7.5914 119.8107 61.5233 63.0430 176.6733 18 N 4.1429 7.9561 116.8694 56.0927 38.4300 176.2377 16 G 3.4367 7.7729 116.7726 44.9535 0.0000 173.8305 17 H 4.2056 7.7014 122.3107 58.2233 28.2430 176.1733 18 F 4.0229 7.8561 118.4694 60.6927 39.1300 176.8378 23 L 4.4438 8.7577 126.7221 55.7550 42.7409 176.1944 24 R 4.8046 9.6637 126.2685 54.6551 33.3342 173.7627 25 I 4.3385 8.0685 127.7248 59.4962 38.5512 175.8690 26 L 4.2183 8.6524 127.8307 53.3950 42.4945 176.9490 27 P 4.2723 0.0000 0.0000 65.8767 31.2455 178.1411 28 D 4.4107 7.9589 115.4176 54.9040 39.4706 176.7401 29 G 4.0818 8.2410 109.3142 45.7506 0.0000 172.6386 30 T 4.5271 8.0078 116.2700 61.3628 70.0629 173.9750 31 V 4.5975 8.0773 126.5753 61.6283 33.1548 174.7362 32 D 4.4666 7.8151 123.6330 53.5026 43.9756 174.7767 33 G 5.1186 8.6478 104.6713 45.2988 0.0000 172.6651 34 T 4.8877 8.4128 114.9992 60.3223 69.8367 174.2387 35 R 4.0003 8.9960 127.0778 57.8110 30.6581 176.0201 36 D 4.6204 8.1919 119.2272 53.1320 40.6065 176.7449 37 R 3.7021 8.7232 127.9569 58.3245 30.3179 176.8915 38 S 4.5352 7.7974 111.1639 58.2263 63.2682 173.9104 39 D 4.4627 7.5663 120.5882 55.0620 41.3573 175.7895 40 Q 4.5046 8.5506 122.4044 56.1780 28.9944 175.5203 41 H 4.9608 8.6976 116.1303 55.8490 29.7563 174.5995 42 I 4.5598 7.8662 110.3482 60.6330 38.3623 175.6861 43 Q 4.2726 7.8120 120.7121 55.5049 27.9881 175.0695 44 L 4.7054 8.6360 124.3373 53.3537 44.4477 175.3345 45 Q 4.8518 8.7229 122.3701 54.4006 31.7259 174.0324 46 L 5.3709 8.7171 126.2906 53.2413 44.1114 176.0642 47 S 4.5939 8.7207 116.3292 56.4302 66.2833 173.0466 48 A 4.2785 7.9857 127.7866 51.4358 18.6825 176.6703 49 E 4.1687 8.7648 125.1914 58.8589 30.2988 176.3379 50 S 4.4487 7.4056 112.0937 57.0616 66.7181 173.6060 51 V 3.8754 8.3507 121.5996 67.2416 31.0660 174.6023 52 G 4.1405 9.1874 116.5798 45.1204 0.0000 171.7901 53 E 5.0866 8.3382 119.5261 55.0528 31.4221 176.0930 54 V 4.9579 8.9356 116.6080 59.9651 36.8790 173.9359 55 Y 5.2464 8.9678 119.4719 56.5487 41.4503 175.4854 56 I 4.6112 8.5326 121.5031 59.8923 40.6959 174.4208 57 K 4.9037 8.7960 127.1587 54.4532 35.5150 177.0957 58 S 4.7458 8.4740 118.4407 57.0610 65.0062 175.2333 59 T 3.6248 8.4323 110.0617 65.0654 68.3641 175.2993 *61 T 4.3327 7.8720 110.5228 61.1044 70.3264 174.3071 62 G 3.8139 6.4069 116.5040 44.9596 0.0000 172.3922 63 Q 4.5793 7.6560 120.4166 55.2520 30.6209 174.4798 64 Y 4.6575 9.5865 121.8844 56.1766 39.8304 175.0460 65 L 4.4862 8.8784 127.2821 55.4189 43.4384 175.6591 66 A 5.5479 8.8424 126.4441 49.6293 23.5490 174.2940 67 M 5.4086 8.4565 117.9647 54.0475 35.0137 174.9360 68 D 4.9158 9.3193 126.6100 52.6371 40.7473 177.0713 69 T 4.3639 8.5599 107.5423 63.3813 68.4407 174.2774 70 D 4.6957 8.5461 121.2844 54.2183 42.2594 177.1638 71 G 3.5658 8.6500 108.3678 44.8400 0.0000 173.0349 72 L 4.7781 7.8832 119.2539 53.1827 43.3979 175.2531 73 L 5.4555 8.2699 121.6118 54.2188 43.1761 175.3628 74 Y 4.8992 8.8503 119.9075 55.8869 42.1398 173.5178 75 G 4.2210 8.4480 108.1631 45.1897 0.0000 173.2720 76 S 5.2054 9.0145 120.4404 56.5902 65.0039 174.6208 77 Q 4.0645 8.9379 122.4694 56.8718 29.3997 175.7339 78 T 4.4951 7.3769 108.5467 58.7897 71.3594 171.9022 79 P 3.9668 0.0000 0.0000 62.3945 32.6816 175.5807 80 N 4.7455 8.0499 117.3764 52.3518 39.1755 174.2230 81 E 3.8957 8.9405 115.8548 60.2057 29.8213 177.6123 82 E 4.2411 8.9470 116.4286 56.9504 29.4500 177.3209 83 C 4.9351 7.6334 114.9623 58.8657 29.1983 173.3317 84 L 4.5246 7.2920 121.0583 53.2266 43.0462 175.5648 85 F 5.1336 8.8348 121.7250 55.6082 43.4226 174.1344 86 L 4.9254 9.0218 121.9812 53.4856 43.1807 175.3221 87 E 4.3647 9.2704 126.8338 55.2487 30.2133 175.5634 88 R 4.8074 8.4131 125.0613 54.2572 35.0270 174.3577 89 L 4.8049 8.4687 122.9385 54.8778 43.5407 175.6622 90 E 4.6023 8.9343 123.9964 55.5492 33.3909 175.1675 91 E 3.7579 9.5576 123.9077 57.0810 27.0694 174.3384 92 N 4.3333 8.5755 112.6470 54.3304 36.2098 173.6939 93 H 4.6808 8.3510 116.5385 57.8482 33.7498 173.4977 94 Y 4.5738 7.7189 115.8625 57.6251 39.8486 173.4471 95 N 5.5258 9.0640 118.2525 52.0126 41.2761 174.5196 96 T 5.0855 8.7587 112.2761 60.1331 73.0272 172.1313 97 Y 5.1251 8.7406 120.2717 56.3931 41.0357 174.4878 98 I 4.8136 8.4299 124.7666 59.0695 40.9451 175.0609 99 S 4.1659 8.5756 121.3001 58.3937 62.6110 174.8251 100 K 3.8676 8.1407 129.4455 59.4082 31.9031 178.2455 101 K 3.9702 7.9820 119.8096 58.6487 32.5300 176.6504 102 H 4.8625 7.8542 115.0190 54.1430 29.7063 175.9069 103 A 3.9335 7.5365 125.0354 55.4138 18.2008 180.3943 104 E 4.2079 8.1121 111.3484 57.7189 29.6778 177.7438 105 K 4.3354 7.5600 117.8204 55.4018 33.5782 175.5060 106 N 3.6496 7.6294 115.3443 53.9543 36.2397 175.3634 107 W 4.9942 7.4265 117.6355 55.5902 30.9381 177.7831 108 F 5.2542 8.7864 124.1130 56.1138 40.3630 175.9010 109 V 4.0954 8.5692 120.6316 62.6669 32.5403 175.1987 110 G 4.9421 8.5912 112.9805 44.9553 0.0000 171.3196 111 L 5.1822 8.2389 120.2874 52.4833 44.9688 177.0309 112 K 4.2473 9.1974 122.9932 55.4758 32.9475 178.4734 113 K 3.9581 8.4282 119.9010 59.3740 32.0236 177.8192 114 N 4.6410 8.0922 114.4684 52.6628 37.5010 175.9395 115 G 3.8066 8.1281 107.0837 45.7191 0.0000 173.2604 116 S 4.9766 7.4022 113.4706 56.1409 65.4692 173.5392 117 C 4.4823 8.7179 122.2108 60.1114 32.1820 172.4040 118 K 4.5831 8.3941 124.1050 54.1273 34.1096 176.2095 119 R 3.9696 8.6942 126.4675 56.3373 30.9429 177.2071 120 G 3.5285 8.5176 112.9950 48.2881 0.0000 173.9238 121 P 4.1741 0.0000 0.0000 64.1232 31.3291 177.2357 122 R 4.4377 8.0352 116.1873 55.8391 30.4936 175.8594 123 T 4.7748 7.5858 109.3666 60.0893 70.3278 173.4328 124 H 5.1674 8.5282 118.7630 53.9924 31.9209 172.2780 125 Y 4.0126 8.5148 117.7625 59.7722 38.0244 176.9207 126 G 4.0975 9.0512 111.2911 45.6117 0.0000 173.9288 127 Q 4.3471 7.1073 116.6904 54.9286 29.8925 175.9725 128 K 3.9590 8.1363 117.4395 57.3390 32.9739 179.1186 129 A 3.7602 7.7142 122.1270 54.0858 18.4447 178.4769 130 I 4.5138 7.2104 106.1461 59.9097 38.1851 175.1752 131 L 4.3551 6.8878 122.2560 53.8568 42.0594 175.9552 132 F 5.0758 9.2396 122.7489 55.5741 43.1584 174.9360 133 L 5.1650 9.0082 119.5179 52.6365 45.3019 174.6126 134 P 4.8159 0.0000 0.0000 62.4024 31.1362 175.7799 135 L 4.6250 8.9973 126.6846 53.3226 43.7156 174.6904 136 P 4.7286 0.0000 0.0000 62.1766 32.3854 177.0989 137 V 3.7426 8.2230 115.0070 61.8017 31.5233 176.2457 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 1B H 8.30 4.72 0.00 3.13 3.38 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.62 3.71 0.00 3.40 3.41 0.00 6.05 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 1D H 9.04 4.14 0.00 3.25 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.92 5.06 0.00 3.10 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.91 4.57 0.00 3.32 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.48 4.76 0.00 2.80 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.54 4.58 0.00 2.88 2.76 0.00 0.00 6.87 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 3 L 8.13 4.81 0.00 1.48 1.42 0.64 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.56 0.00 2.12 2.00 0.00 3.67 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 1.87 1.89 0.00 5 P 0.00 4.16 0.00 2.02 2.03 0.00 3.68 0.00 0.00 3.62 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 6 G 8.24 3.68 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 0.00 0.00 0.00 7 N 7.19 4.69 0.00 2.53 2.67 0.00 0.00 6.89 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.41 4.83 0.00 3.01 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 9 K 7.52 4.13 0.00 1.75 1.79 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.35 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.55 7.81 10 K 7.42 4.60 0.00 1.73 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 11 P 0.00 4.60 0.00 2.05 2.15 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 K 9.21 4.92 0.00 1.63 1.89 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.56 7.81 13 L 8.93 4.98 0.00 1.63 1.68 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.77 4.80 0.00 1.63 1.70 0.50 0.78 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 15 Y 8.92 5.05 0.00 3.28 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 16 C 7.76 4.03 0.00 2.62 2.35 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 17 S 7.59 3.95 0.00 3.57 3.62 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 18 N 7.96 4.14 0.00 2.59 2.81 0.00 0.00 7.01 7.69 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 16 G 7.77 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 0.00 0.00 0.00 17 H 7.70 4.21 0.00 2.97 2.91 0.00 7.18 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.86 4.02 0.00 2.90 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 23 L 8.76 4.44 0.00 1.74 1.62 0.90 0.69 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 24 R 9.66 4.80 0.00 1.92 1.85 0.00 3.18 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 25 I 8.07 4.34 1.86 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 1.20 0.73 0.91 0.00 0.00 26 L 8.65 4.22 0.00 1.85 1.60 0.90 0.67 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 27 P 0.00 4.27 0.00 2.04 2.14 0.00 3.59 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 28 D 7.96 4.41 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.24 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 0.00 0.00 0.00 30 T 8.01 4.53 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 31 V 8.08 4.60 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 0.83 0.00 0.00 0.95 0.00 0.00 32 D 7.82 4.47 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.65 5.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.41 4.89 4.33 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 1.42 0.00 0.00 35 R 9.00 4.00 0.00 1.85 1.95 0.00 3.19 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 36 D 8.19 4.62 0.00 2.83 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 37 R 8.72 3.70 0.00 1.97 1.98 0.00 3.00 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.41 0.00 38 S 7.80 4.54 0.00 3.95 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 39 D 7.57 4.46 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.55 4.50 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.30 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 41 H 8.70 4.96 0.00 3.30 3.41 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.87 4.56 1.82 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.52 1.04 0.00 0.00 43 Q 7.81 4.27 0.00 1.89 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 44 L 8.64 4.71 0.00 1.57 1.49 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.72 4.85 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 46 L 8.72 5.37 0.00 1.75 1.80 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.72 4.59 0.00 3.91 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 48 A 7.99 4.28 0.61 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 0.00 0.00 49 E 8.76 4.17 0.00 1.68 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 2.21 2.29 0.00 50 S 7.41 4.45 0.00 3.89 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 51 V 8.35 3.88 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.03 0.00 0.00 52 G 9.19 4.14 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 0.00 0.00 0.00 53 E 8.34 5.09 0.00 1.89 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 54 V 8.94 4.96 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 0.88 0.00 0.00 1.26 0.00 0.00 55 Y 8.97 5.25 0.00 3.08 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 56 I 8.53 4.61 1.75 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.71 0.00 0.00 57 K 8.80 4.90 0.00 1.45 1.32 0.00 1.01 0.00 0.00 1.36 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.96 7.81 58 S 8.47 4.75 0.00 3.96 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 59 T 8.43 3.62 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 1.17 0.00 0.00 *61 T 7.87 4.33 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 1.22 0.00 0.00 62 G 6.41 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 63 Q 7.66 4.58 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 64 Y 9.59 4.66 0.00 2.76 2.92 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 65 L 8.88 4.49 0.00 1.70 1.63 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.84 5.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.46 5.41 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.76 0.00 68 D 9.32 4.92 0.00 3.01 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 69 T 8.56 4.36 4.37 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 1.32 0.00 0.00 70 D 8.55 4.70 0.00 2.82 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 71 G 8.65 3.57 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 0.00 0.00 0.00 72 L 7.88 4.78 0.00 1.89 1.61 0.90 0.58 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 73 L 8.27 5.46 0.00 1.58 1.63 0.91 0.91 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 74 Y 8.85 4.90 0.00 3.03 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 75 G 8.45 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 0.00 0.00 0.00 0.00 76 S 9.01 5.21 0.00 3.76 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 77 Q 8.94 4.06 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 78 T 7.38 4.50 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 1.20 0.00 0.00 79 P 0.00 3.97 0.00 1.66 0.49 0.00 3.43 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.36 0.00 80 N 8.05 4.75 0.00 2.90 2.91 0.00 0.00 6.26 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 81 E 8.94 3.90 0.00 1.94 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 2.29 2.32 0.00 82 E 8.95 4.24 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 83 C 7.63 4.94 0.00 3.34 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 84 L 7.29 4.52 0.00 1.34 1.32 0.82 0.15 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 85 F 8.83 5.13 0.00 3.09 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 86 L 9.02 4.93 0.00 1.55 1.58 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.27 4.36 0.00 2.02 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 2.15 1.89 0.00 88 R 8.41 4.81 0.00 1.76 1.77 0.00 3.11 0.00 0.00 2.86 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 89 L 8.47 4.80 0.00 1.64 1.66 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.93 4.60 0.00 2.24 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 2.31 2.46 0.00 91 E 9.56 3.76 0.00 2.35 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 0.00 2.32 2.47 0.00 92 N 8.58 4.33 0.00 2.85 2.92 0.00 0.00 6.76 8.16 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 93 H 8.35 4.68 0.00 2.84 2.91 0.00 5.94 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 94 Y 7.72 4.57 0.00 3.02 2.95 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 0.00 0.00 0.00 95 N 9.06 5.53 0.00 3.03 2.63 0.00 0.00 6.91 6.36 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 96 T 8.76 5.09 4.40 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 1.35 0.00 0.00 97 Y 8.74 5.13 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.43 4.81 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.81 0.64 0.00 0.00 99 S 8.58 4.17 0.00 4.06 3.87 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 0.00 100 K 8.14 3.87 0.00 1.58 1.66 0.00 1.76 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.13 7.81 101 K 7.98 3.97 0.00 1.58 1.53 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.32 7.81 102 H 7.85 4.86 0.00 2.99 2.29 0.00 5.70 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 0.00 103 A 7.54 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 0.00 104 E 8.11 4.21 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 105 K 7.56 4.34 0.00 1.10 1.42 0.00 1.38 0.00 0.00 1.49 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.12 7.81 106 N 7.63 3.65 0.00 2.95 2.71 0.00 0.00 6.85 7.04 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 0.00 107 W 7.43 4.99 0.00 3.29 3.04 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 0.00 108 F 8.79 5.25 0.00 2.90 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 0.00 109 V 8.57 4.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.75 0.00 0.00 110 G 8.59 4.94 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 0.00 111 L 8.24 5.18 0.00 1.39 1.43 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.20 4.25 0.00 1.89 1.67 0.00 1.64 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.35 7.81 113 K 8.43 3.96 0.00 1.70 1.86 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.46 7.81 114 N 8.09 4.64 0.00 2.80 2.89 0.00 0.00 6.10 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.13 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 0.00 116 S 7.40 4.98 0.00 3.93 3.96 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 0.00 117 C 8.72 4.48 0.00 3.01 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 0.00 118 K 8.39 4.58 0.00 1.73 1.71 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.32 7.81 119 R 8.69 3.97 0.00 1.78 1.62 0.00 3.15 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 120 G 8.52 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 0.00 0.00 0.00 121 P 0.00 4.17 0.00 1.83 2.07 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.89 0.00 122 R 8.04 4.44 0.00 1.81 1.90 0.00 3.27 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 123 T 7.59 4.77 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 124 H 8.53 5.17 0.00 3.44 3.55 0.00 5.28 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.51 4.01 0.00 3.10 2.88 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 0.00 126 G 9.05 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 0.00 0.00 0.00 127 Q 7.11 4.35 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 128 K 8.14 3.96 0.00 1.63 1.59 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.31 7.81 129 A 7.71 3.76 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.21 4.51 1.64 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.68 0.00 0.00 131 L 6.89 4.36 0.00 0.80 0.65 0.39 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.24 5.08 0.00 3.22 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 0.00 133 L 9.01 5.17 0.00 2.04 1.77 1.11 1.25 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 0.00 134 P 0.00 4.82 0.00 2.14 2.23 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 135 L 9.00 4.62 0.00 1.73 1.67 1.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.73 0.00 1.93 1.97 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 137 V 8.22 3.74 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.