NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3106 8.1593 115.2498 62.4482 68.3659 173.3504 3 T 4.1568 8.4102 116.2343 60.4290 69.2593 173.8467 4 F 4.1433 8.3240 125.8454 59.3042 40.6232 175.7259 5 T 4.0794 7.3119 116.5204 59.0126 71.4300 173.3103 6 L 3.9019 7.8037 126.6077 54.3406 42.9927 176.5773 7 D 4.3451 9.2638 125.9189 54.3619 42.6390 177.0134 8 E 3.9081 8.8623 124.9655 60.0607 29.2902 179.7975 9 R 3.9176 8.7016 119.0933 58.8565 30.1272 178.9936 10 L 4.0052 7.9424 118.5049 57.3641 41.4217 178.8979 11 E 3.8559 8.0693 118.7928 59.2461 29.6971 178.6362 12 R 4.0036 7.9692 117.5140 59.6043 30.3521 177.8355 13 D 4.5932 8.4185 116.8281 54.7222 41.3945 176.4760 14 G 4.2039 7.3674 106.1448 44.2258 0.0000 172.7690 15 I 4.5787 8.6344 124.3312 58.3537 39.0965 173.5631 16 P 4.7247 0.0000 0.0000 62.9056 31.4260 176.3079 17 I 4.3248 9.6340 114.3362 59.3667 39.1183 175.2440 18 G 4.1289 6.9156 109.1238 45.6015 0.0000 171.3298 19 T 4.8685 7.6733 114.8339 61.8021 73.0069 174.7934 20 L 4.6729 8.4067 126.3864 55.1507 40.9081 178.1015 21 G 3.7695 8.8979 112.4082 49.1669 0.0000 174.2418 22 L 4.0936 9.1118 123.4137 57.1592 43.1639 175.7411 23 C 5.0019 8.4269 116.6156 58.4421 30.5741 174.3786 24 Q 4.4111 8.4184 123.0190 55.6080 31.5904 175.0481 *26 R 4.3610 8.4385 118.0937 57.0422 31.8868 174.9790 27 L 4.7588 8.7012 126.3331 54.3036 44.4801 176.9696 *29 N 4.8418 8.2762 107.8029 52.8576 39.2947 174.8378 30 D 4.6093 7.7434 118.8886 53.2455 42.8614 175.1329 31 R 2.9164 8.5732 127.9014 57.2976 30.3286 177.6178 32 R 3.5859 7.9116 115.9582 58.6991 30.0434 176.8651 33 W 5.1040 7.5393 115.1179 53.9147 33.0380 173.0353 34 P 4.8004 0.0000 0.0000 62.7464 31.8638 175.3496 35 W 5.5565 9.2601 134.8724 55.9625 33.3363 174.0521 36 L 5.3530 9.6175 127.8435 53.0224 44.5407 175.5925 37 I 5.2395 8.8400 114.6094 59.2608 40.5283 174.5955 38 L 4.8471 8.9406 125.0285 53.1089 44.1174 175.4364 39 V 4.5368 8.8565 124.8340 60.3275 33.4794 173.0196 40 P 4.4751 0.0000 0.0000 62.1250 31.7865 177.9111 41 Q 2.5200 7.7600 125.4881 53.9536 27.2376 175.6906 42 R 4.5740 6.7823 115.6882 53.6868 34.3123 175.8562 43 A 4.1800 8.7399 125.2890 53.6669 19.1835 176.9934 44 D 4.3959 8.6291 121.1956 55.5390 38.6563 174.0612 45 I 4.3642 7.5537 118.5805 59.6924 39.2955 176.0764 46 K 4.6026 8.9407 125.1790 56.8298 33.7165 175.9924 47 E 4.4296 7.5976 117.6154 53.9449 31.6917 177.1144 48 V 3.5391 8.1929 121.7731 64.9376 31.2317 177.8188 49 F 4.5996 7.4348 111.9442 57.4523 38.0837 175.6875 50 E 4.2080 7.5353 120.9635 58.0762 29.7434 177.1966 51 L 4.1777 7.4184 118.5778 54.2664 42.3453 177.6514 52 T 4.0930 8.2039 111.5245 61.2586 70.7040 173.4936 53 P 4.2424 0.0000 0.0000 65.8554 31.1383 178.8960 54 L 3.9899 7.8479 116.2656 58.0680 41.6772 178.8752 55 D 4.4895 7.8546 117.4655 57.2946 40.9643 178.5625 56 Q 4.2068 8.3983 118.7832 58.7784 28.7208 179.6000 57 A 3.8873 7.8472 119.0063 52.5596 18.1858 178.9223 *59 L 4.2172 7.8791 124.2350 57.0365 44.1070 179.1248 60 T 3.9080 8.0085 115.1804 66.5341 68.2280 176.3311 61 F 4.1399 8.3842 122.5086 61.5067 39.3397 177.0927 62 E 3.8834 8.3039 117.6062 59.6370 29.2946 179.2257 63 T 3.8707 8.3313 116.2135 66.8577 68.4475 176.4791 64 N 4.3199 8.3865 118.5066 55.8168 38.4861 177.1874 65 L 3.7145 7.8544 122.2106 58.2261 42.0142 179.3695 66 V 3.5197 8.0441 118.1264 65.7764 31.4737 177.8199 67 A 4.0105 8.2867 120.5936 55.1434 18.3886 179.5033 68 A 4.0500 8.3177 119.7001 55.2131 18.3725 180.1700 69 G 3.5251 8.3028 104.4958 47.4317 0.0000 175.6846 70 L 3.9942 8.7955 124.1868 57.6453 42.1023 178.8667 71 K 3.9367 8.1753 119.5381 59.5654 31.9162 178.8299 72 K 3.9486 7.7492 116.6734 59.5721 32.0863 178.9615 73 A 4.2164 8.2629 120.1894 54.3599 18.3876 178.6627 74 T 4.6326 7.8977 105.3121 60.3092 70.1661 174.5005 75 G 3.9271 8.2139 109.3723 46.3486 0.0000 173.9620 76 A 4.1962 8.0474 121.2437 51.8280 19.1368 178.5949 77 E 4.2455 8.6786 121.0580 59.0041 30.4369 177.3467 78 K 4.6949 8.5586 119.2681 55.1131 36.2400 174.8454 79 I 4.8820 8.4031 126.8746 60.0188 39.0233 174.5574 80 N 5.0540 9.2620 124.1423 51.5253 41.0743 173.7677 81 I 5.1158 8.5137 123.4763 59.5444 40.5255 175.2536 82 G 4.0964 9.4023 112.8062 44.6480 0.0000 171.3026 83 A 4.3959 8.6986 126.5713 50.7275 19.7113 174.8383 84 L 4.0573 8.5777 119.3324 52.3786 44.0378 177.2365 85 G 4.2216 7.8912 108.0714 46.9273 0.0000 174.3575 86 N 4.5016 8.2559 119.1770 55.2341 39.1491 176.8268 87 I 3.9862 7.8174 117.6480 62.9109 38.2514 175.8327 88 V 4.2731 7.4758 121.8387 60.9817 32.4862 176.5285 89 R 4.0937 8.5630 127.3822 58.8503 30.3630 177.0505 90 Q 4.2801 8.1315 118.2422 56.2637 29.2334 175.7893 91 L 4.2458 8.6574 128.5838 55.7967 42.4610 175.8253 92 H 5.1371 8.6271 120.4689 54.3510 31.7546 172.6569 93 V 4.5052 8.7610 121.3443 61.5569 33.7815 174.2065 94 H 5.3010 9.7620 126.2831 55.5786 30.4292 174.6275 95 V 4.9354 9.5797 122.6713 61.3609 34.6479 174.1499 96 I 5.1593 8.8177 128.4183 59.3964 40.9629 174.4970 97 A 4.7226 9.1624 129.7287 51.5565 19.2481 176.8990 98 R 5.2412 9.4804 121.9950 54.7568 34.3861 175.0281 99 R 4.5884 9.2303 116.1954 54.4705 33.1294 174.0767 100 E 2.0000 7.4332 122.0512 57.4961 29.7827 177.4355 101 G 3.8981 8.3231 113.9066 45.3027 0.0000 173.3133 102 D 4.5751 7.7696 119.2695 51.8490 40.2887 173.9420 103 P 4.3822 0.0000 0.0000 63.9830 31.7598 175.9733 104 N 3.6719 8.8067 118.5736 53.4805 37.4979 173.1810 105 W 4.2673 8.2125 126.4238 57.4792 30.9595 173.8917 106 P 2.9700 0.0000 0.0000 61.9715 31.1319 175.9472 107 G 3.6677 7.4902 109.3597 44.1793 0.0000 171.6085 108 P 4.0503 0.0000 0.0000 62.0866 32.2880 177.0647 109 V 2.6485 6.5412 112.7598 63.1259 31.5098 176.7758 110 W 4.4743 6.9357 120.1983 57.6352 29.1609 176.6623 111 G 4.0061 9.2611 111.1627 45.5347 0.0000 172.7672 112 F 4.5096 8.3778 122.9316 57.7005 40.0204 176.3465 113 G 3.4351 8.1632 118.8674 45.3134 0.0000 171.5748 114 K 4.5418 8.2332 119.1667 53.9684 34.7223 175.9505 115 A 4.5044 8.5681 125.7379 52.0331 19.0740 176.7369 116 E 4.5534 8.7873 120.9028 53.6723 31.6636 174.0631 117 P 4.9971 0.0000 0.0000 62.2582 32.3429 176.6102 118 W 4.2951 9.5483 123.7655 55.9212 29.7357 174.9727 119 P 4.4742 0.0000 0.0000 62.3805 31.9508 176.8243 120 E 3.8721 9.0017 122.0558 59.7308 29.6073 178.9641 121 E 3.9196 8.1658 118.6487 59.2107 29.6226 178.2997 122 E 4.1014 8.2077 119.1680 59.6012 29.8762 178.3542 123 H 3.8187 8.5764 115.2993 58.3972 28.6511 177.7596 124 R 3.8680 7.7128 120.7598 59.4499 30.0371 179.1230 125 T 3.8915 8.0000 115.3689 66.6668 68.4918 176.6207 126 F 4.3135 8.6866 122.7859 61.0295 39.1313 176.9354 127 A 3.6833 8.0692 119.8466 55.0237 18.2528 179.0105 128 A 4.0098 7.4996 117.5642 55.4405 18.5240 179.5149 129 R 3.9804 7.5364 115.5151 59.4056 30.3547 179.0126 130 I 3.5188 7.1358 115.4389 62.4383 36.5052 177.4450 *132 E 4.2267 8.0569 121.3548 56.2198 31.0384 176.4716 133 N 4.7032 7.9696 113.6840 53.1058 39.2888 175.2591 134 L 4.1409 7.6649 123.5719 54.9702 41.7886 176.6496 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 T 8.16 4.31 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 1.31 0.00 0.00 3 T 8.41 4.16 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 4 F 8.32 4.14 0.00 2.95 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 5 T 7.31 4.08 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 1.08 0.00 0.00 6 L 7.80 3.90 0.00 1.54 1.50 1.08 1.21 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 7 D 9.26 4.35 0.00 2.75 2.48 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 8 E 8.86 3.91 0.00 2.29 2.18 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 2.37 1.99 0.00 9 R 8.70 3.92 0.00 1.95 2.01 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 10 L 7.94 4.01 0.00 1.79 1.67 0.82 0.67 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 11 E 8.07 3.86 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 12 R 7.97 4.00 0.00 1.92 2.07 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 13 D 8.42 4.59 0.00 2.70 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 14 G 7.37 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.63 4.58 1.68 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.73 0.00 0.00 16 P 0.00 4.72 0.00 2.06 2.05 0.00 3.66 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 1.97 1.95 0.00 17 I 9.63 4.32 1.78 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 1.30 0.69 0.87 0.00 0.00 18 G 6.92 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.67 4.87 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 1.27 0.00 0.00 20 L 8.41 4.67 0.00 1.84 1.46 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.90 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 9.11 4.09 0.00 1.73 1.86 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.43 5.00 0.00 2.97 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 24 Q 8.42 4.41 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 *26 R 8.44 4.36 0.00 1.79 1.86 0.00 3.13 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 27 L 8.70 4.76 0.00 1.63 1.37 1.15 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *29 N 8.28 4.84 0.00 2.79 2.86 0.00 0.00 6.51 8.47 0.00 0.00 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 D 7.74 4.61 0.00 2.73 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 31 R 8.57 2.92 0.00 0.85 1.33 0.00 2.92 0.00 0.00 2.77 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 32 R 7.91 3.59 0.00 0.86 0.66 0.00 2.75 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.44 0.00 33 W 7.54 5.10 0.00 3.34 2.93 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 34 P 0.00 4.80 0.00 2.34 2.21 0.00 3.88 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 2.19 2.02 0.00 35 W 9.26 5.56 0.00 3.60 3.17 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 0.00 36 L 9.62 5.35 0.00 1.85 1.64 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.84 5.24 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 1.09 0.00 0.00 38 L 8.94 4.85 0.00 1.68 1.63 0.97 0.97 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 39 V 8.86 4.54 2.18 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 1.31 0.00 0.00 1.00 0.00 0.00 40 P 0.00 4.48 0.00 1.87 1.89 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 41 Q 7.76 2.52 0.00 1.79 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 1.87 2.20 0.00 42 R 6.78 4.57 0.00 1.68 1.76 0.00 3.35 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 43 A 8.74 4.18 1.30 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 0.00 0.00 44 D 8.63 4.40 0.00 2.82 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 45 I 7.55 4.36 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.06 0.86 0.00 0.00 46 K 8.94 4.60 0.00 1.66 1.88 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.46 7.81 47 E 7.60 4.43 0.00 1.16 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 2.03 1.74 0.00 48 V 8.19 3.54 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 0.87 0.00 0.00 0.94 0.00 0.00 49 F 7.43 4.60 0.00 3.14 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.54 4.21 0.00 1.99 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 2.28 1.90 0.00 51 L 7.42 4.18 0.00 1.77 1.59 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.20 4.09 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 53 P 0.00 4.24 0.00 2.18 2.16 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 54 L 7.85 3.99 0.00 1.60 1.72 0.91 1.01 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 55 D 7.85 4.49 0.00 2.81 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 56 Q 8.40 4.21 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 57 A 7.85 3.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *59 L 7.88 4.22 0.00 1.88 1.92 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.01 3.91 4.46 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 0.00 0.00 0.00 1.26 0.00 0.00 61 F 8.38 4.14 0.00 3.12 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 62 E 8.30 3.88 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 2.55 2.62 0.00 63 T 8.33 3.87 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 1.24 0.00 0.00 64 N 8.39 4.32 0.00 2.70 2.80 0.00 0.00 6.68 7.17 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 65 L 7.85 3.71 0.00 1.27 1.62 0.66 0.91 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 66 V 8.04 3.52 2.25 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 0.98 0.00 0.00 0.93 0.00 0.00 67 A 8.29 4.01 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 68 A 8.32 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.30 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 70 L 8.80 3.99 0.00 1.83 1.80 1.20 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.18 3.94 0.00 2.02 1.96 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.66 7.81 72 K 7.75 3.95 0.00 2.01 2.01 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.59 7.81 73 A 8.26 4.22 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 74 T 7.90 4.63 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 1.58 0.00 0.00 75 G 8.21 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 76 A 8.05 4.20 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 77 E 8.68 4.25 0.00 1.75 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 2.25 2.23 0.00 78 K 8.56 4.69 0.00 2.02 1.79 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.52 7.81 79 I 8.40 4.88 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 1.01 0.00 0.00 80 N 9.26 5.05 0.00 2.36 2.60 0.00 0.00 6.52 7.33 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 81 I 8.51 5.12 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 1.01 0.00 0.00 82 G 9.40 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 83 A 8.70 4.40 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.58 4.06 0.00 1.34 1.27 -0.49 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.89 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 86 N 8.26 4.50 0.00 2.71 2.87 0.00 0.00 7.11 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 87 I 7.82 3.99 1.94 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 1.34 0.55 0.96 0.00 0.00 88 V 7.48 4.27 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 0.99 0.00 0.00 0.94 0.00 0.00 89 R 8.56 4.09 0.00 1.88 1.96 0.00 3.36 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 90 Q 8.13 4.28 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 91 L 8.66 4.25 0.00 1.73 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.63 5.14 0.00 3.17 3.20 0.00 5.54 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 93 V 8.76 4.51 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 1.10 0.00 0.00 0.94 0.00 0.00 94 H 9.76 5.30 0.00 3.59 3.64 0.00 5.61 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 95 V 9.58 4.94 2.21 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 1.14 0.00 0.00 1.02 0.00 0.00 96 I 8.82 5.16 1.51 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.30 0.56 0.00 0.00 97 A 9.16 4.72 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 98 R 9.48 5.24 0.00 2.02 2.22 0.00 3.26 0.00 0.00 2.79 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 99 R 9.23 4.59 0.00 1.75 1.88 0.00 2.75 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.38 0.00 100 E 7.43 2.00 0.00 1.16 1.46 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 0.00 2.02 1.86 0.00 101 G 8.32 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.77 4.58 0.00 2.97 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 0.00 103 P 0.00 4.38 0.00 1.82 2.11 0.00 3.33 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.88 0.00 104 N 8.81 3.67 0.00 1.44 2.26 0.00 0.00 6.83 7.95 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 0.00 105 W 8.21 4.27 0.00 3.69 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 2.97 0.00 1.46 0.90 0.00 3.61 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 1.61 1.66 0.00 107 G 7.49 3.67 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 0.00 0.00 0.00 108 P 0.00 4.05 0.00 2.25 2.14 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 109 V 6.54 2.65 0.67 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 -1.38 0.00 0.00 -1.65 0.00 0.00 110 W 6.94 4.47 0.00 3.45 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 0.00 111 G 9.26 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.38 4.51 0.00 3.08 3.36 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 0.00 113 G 8.16 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 0.00 114 K 8.23 4.54 0.00 1.66 1.68 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.36 7.81 115 A 8.57 4.50 1.34 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 0.00 0.00 116 E 8.79 4.55 0.00 1.74 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 2.11 2.30 0.00 117 P 0.00 5.00 0.00 1.98 2.04 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 118 W 9.55 4.30 0.00 3.15 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 0.00 119 P 0.00 4.47 0.00 2.26 2.02 0.00 3.84 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 2.13 2.09 0.00 120 E 9.00 3.87 0.00 2.06 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 2.32 2.40 0.00 121 E 8.17 3.92 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.94 0.00 122 E 8.21 4.10 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 123 H 8.58 3.82 0.00 2.88 3.34 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.71 3.87 0.00 2.02 1.99 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 125 T 8.00 3.89 4.50 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 0.00 0.00 0.00 1.29 0.00 0.00 126 F 8.69 4.31 0.00 3.17 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 0.00 127 A 8.07 3.68 1.26 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 0.00 0.00 0.00 128 A 7.50 4.01 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 0.00 129 R 7.54 3.98 0.00 1.86 1.98 0.00 3.34 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 130 I 7.14 3.52 1.70 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.36 0.79 0.00 0.00 *132 E 8.06 4.23 0.00 2.14 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 2.20 2.31 0.00 133 N 7.97 4.70 0.00 2.93 2.90 0.00 0.00 7.01 6.34 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 0.00 134 L 7.66 4.14 0.00 1.60 1.53 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.