NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.5603 8.0748 114.6373 62.0530 68.3974 173.8766 4 R 3.9928 8.5437 125.7394 57.0270 30.6120 175.3078 5 L 4.4966 8.3157 120.7819 53.9005 45.9918 175.6365 6 E 4.3187 8.6891 127.2857 55.3109 28.0660 177.0067 7 W 4.3669 8.2710 121.3351 59.0138 28.6129 178.2144 8 A 3.4313 6.5702 121.2490 54.7121 17.3672 179.6069 9 K 3.8280 7.5795 115.4651 59.2988 32.3286 179.0039 10 A 4.3822 7.6909 119.7201 53.8690 19.4896 177.8067 11 S 4.5459 8.5045 113.7167 54.7831 62.9113 172.2330 12 P 4.6392 0.0000 0.0000 64.3828 31.2410 177.6568 13 D 4.3761 8.1864 117.5415 57.1157 40.5837 178.3076 14 A 4.0984 7.7769 120.1383 55.4173 18.5555 178.7192 15 Y 4.3857 8.0429 116.6056 60.7618 39.2639 177.7012 16 A 4.0810 8.4123 121.6951 54.9974 17.9642 180.6054 17 A 4.1922 7.9080 117.5398 52.6294 18.3315 179.3984 *19 L 4.3921 8.0627 123.3036 56.3588 43.9413 179.8035 20 G 3.6699 7.7951 104.7923 47.3847 0.0000 175.8716 21 L 4.0364 7.6216 120.4200 58.0036 41.7355 179.3880 22 E 4.1534 8.3909 117.9836 59.2788 29.2211 179.4182 23 K 3.9601 8.3443 117.9799 59.4787 32.3236 178.9134 24 A 4.1733 8.1040 121.2668 55.0468 18.3356 179.6637 25 L 3.9795 8.3120 118.1881 58.6244 40.4007 178.9699 26 A 3.9965 8.3235 121.4642 55.1970 18.3285 179.0274 27 K 4.1784 7.6523 113.6702 56.4447 32.7210 177.4925 28 A 4.4767 6.6687 122.1436 51.1012 19.0074 178.1098 29 G 3.6911 8.9014 109.2795 48.0666 0.0000 174.7738 30 L 4.0333 7.6371 121.2776 54.9090 42.6775 177.0957 31 E 4.0783 8.7797 125.2874 56.1636 30.8291 177.7006 32 R 3.8448 8.7556 123.9741 59.4863 29.8456 176.8595 33 P 4.2684 0.0000 0.0000 65.3364 31.3013 178.3712 34 L 4.0142 7.8880 118.9220 58.1630 42.0356 178.9112 35 I 3.7678 7.5376 119.4427 64.4634 36.9879 178.2552 36 E 3.9610 8.3199 119.4353 59.2327 29.0854 179.5293 37 L 3.9810 7.7067 118.8752 57.7540 41.7676 179.3882 38 V 3.6930 7.8606 118.1753 66.4590 31.5093 177.7549 39 Y 3.8744 8.4775 116.5621 60.8165 37.7402 177.9740 40 L 3.9915 8.5595 121.5798 58.3893 42.2872 179.0372 41 R 4.1364 8.9512 119.7320 59.7817 29.8815 178.6180 42 T 3.8929 8.0519 115.6346 66.7220 68.4323 176.9479 43 S 4.1564 8.0451 116.6836 61.5028 62.7859 176.3529 44 Q 4.0201 8.1023 120.8403 59.2414 28.2954 178.8503 45 I 3.7183 7.5815 119.8017 64.6125 37.4173 177.5820 46 N 4.6892 8.3680 114.0558 52.6459 38.7824 175.3355 47 G 3.7286 7.8430 108.4958 46.7656 0.0000 173.9022 48 C 4.4767 8.0552 121.5732 57.3645 31.2803 173.8128 49 A 4.0476 8.5233 130.5525 54.9721 17.8361 177.7838 50 Y 4.1299 8.2272 116.9764 61.6813 38.8272 178.0634 51 C 4.2098 8.1826 115.8892 62.5312 28.6384 175.8806 52 V 3.8292 8.0730 120.1006 66.0013 31.0063 178.1156 53 N 4.0494 8.2490 113.1995 55.2665 38.6227 175.6960 *55 H 4.6423 8.1999 117.2609 55.3178 31.2171 175.5202 56 A 4.0072 8.1374 121.5502 55.1205 18.1312 179.3876 57 N 4.2352 7.8932 114.6847 56.6100 38.4583 177.1777 58 D 4.3097 8.0502 118.0132 57.5467 40.9977 178.4917 59 A 4.1534 7.9834 120.0874 54.9218 18.6339 179.7054 60 R 4.2922 8.0668 115.9588 58.3741 30.8684 177.5058 61 K 4.3635 7.7295 120.9441 53.8991 29.4489 175.5918 62 A 4.6287 7.8427 126.6572 51.6258 21.2178 176.8239 63 G 3.7658 8.2982 102.7856 44.9888 0.0000 172.4318 64 E 4.0920 9.1981 118.0571 57.0969 30.3090 173.1095 65 T 4.6557 7.9942 117.6053 59.5214 71.3718 174.4695 66 E 3.9672 8.8527 127.2623 59.7496 29.1811 179.4003 67 Q 3.8563 7.8240 119.0747 58.9439 28.6851 178.0491 68 R 3.9834 7.5411 118.5627 58.6791 30.0990 178.6998 69 L 4.2174 7.7469 118.4765 57.6401 41.7132 179.0660 70 Q 4.1996 8.1456 116.5565 58.4768 29.1270 177.3602 71 A 4.5429 7.8255 120.0264 52.8096 19.1404 178.6936 72 L 4.1666 7.8573 118.9025 58.3184 41.9961 178.4572 73 C 4.5958 8.2024 111.8230 59.9994 29.8561 174.0357 74 V 4.4815 7.8996 115.5348 60.4466 32.9351 177.4370 75 W 4.6646 8.3306 120.5798 59.9782 27.8853 178.1595 76 Q 3.1770 6.8492 116.5322 58.1766 27.9917 177.1534 77 E 4.5515 7.5342 115.6767 56.3634 29.9220 175.7971 78 T 4.4195 7.6266 108.4105 59.3787 71.1084 171.8985 79 P 4.6382 0.0000 0.0000 63.1416 31.4619 176.1846 80 Y 4.5002 7.0998 115.3469 59.1471 38.2625 175.4876 81 F 5.0896 7.9329 118.0670 55.2651 42.0780 175.8338 82 T 4.2386 9.6774 115.6374 60.8228 70.6838 173.8880 83 P 4.2252 0.0000 0.0000 65.8919 31.2148 178.6950 84 R 3.5667 7.8806 116.6316 59.6555 29.9820 178.2653 85 E 4.0305 8.1939 118.1150 59.4409 29.3753 179.6986 86 R 3.4803 8.0852 118.0501 58.9247 30.2651 178.8745 87 A 4.0483 8.2057 120.5655 55.1701 18.3655 179.5913 88 A 3.9541 7.9477 119.0843 55.0342 18.4120 179.9379 89 L 3.6232 7.5656 117.5316 57.4226 41.4443 179.4281 90 A 4.3415 7.8894 120.8158 54.9846 18.3493 179.2156 91 W 4.2826 8.1452 126.5351 61.1727 30.6793 177.9514 92 T 3.8246 8.3932 115.8390 66.8300 67.8973 176.1781 93 E 4.0011 8.6324 120.4466 59.6732 29.3531 179.5738 94 Q 3.9368 7.8234 116.3666 59.0693 28.8876 178.6721 95 L 3.8991 7.6912 118.4453 57.1706 41.6241 178.9466 96 A 4.1103 7.9865 120.6078 54.2612 18.5683 178.9150 97 R 4.5454 7.5089 115.6671 55.6324 31.8555 178.4743 98 L 3.8241 7.9972 123.4561 58.2574 42.1716 178.5694 99 S 4.3137 7.9514 110.6791 59.9069 63.0844 174.3707 100 Q 4.3234 9.2640 119.5623 55.6337 29.3014 176.3202 101 G 3.7547 6.4427 103.4065 44.5678 0.0000 172.4874 102 A 4.2620 7.8511 122.7240 51.3645 19.3123 177.4831 103 L 4.1531 8.1640 120.5049 53.4331 42.5992 175.6600 104 P 4.0030 0.0000 0.0000 63.5053 31.7356 177.1829 105 H 4.3828 8.0056 119.7704 58.5614 29.0921 177.7196 106 G 3.7732 8.0594 105.6706 46.8572 0.0000 175.3805 107 L 4.0754 7.8556 123.1678 58.1918 42.1968 178.6484 108 L 3.7402 8.1333 119.6878 58.2139 41.8692 178.2209 109 D 4.3894 8.1387 116.9589 57.5662 41.1128 178.1400 110 E 4.1427 8.3879 118.9897 59.6812 29.5673 179.1625 111 L 4.0640 8.0880 120.0916 58.4849 41.8037 179.0468 112 R 4.2579 7.7934 116.0615 58.3415 30.0300 178.2228 113 E 4.0674 8.0596 117.9904 58.3928 29.5268 177.0405 114 H 4.5755 8.0407 114.0304 55.5855 30.9738 174.3101 115 F 5.0054 7.9105 116.3284 55.0017 42.1603 175.1123 116 D 4.7494 9.2035 124.2995 52.7434 41.8446 177.4246 117 D 4.3455 8.4974 119.0712 57.1023 40.6569 178.9907 118 K 3.9230 8.0328 119.8304 59.6804 32.3469 178.5794 119 E 4.1549 9.0888 119.1728 59.3203 29.3264 179.5013 120 I 3.2431 7.8422 119.6549 64.1701 37.1074 178.1315 121 A 4.0147 8.0004 121.5284 55.4007 17.7873 179.5803 122 E 3.9205 8.3308 117.0051 59.3195 29.5162 179.2326 123 L 3.9766 8.2477 120.7854 58.5924 42.1315 179.2301 124 T 4.1008 8.5667 115.9099 66.4747 68.3807 176.2535 125 L 3.9411 8.3708 122.4420 58.1316 42.0273 178.8096 126 A 4.1881 8.3184 120.7461 55.3308 18.4198 179.4086 127 V 3.5032 8.2426 117.0002 66.5891 31.5300 178.4212 128 S 4.0728 8.6330 114.6143 61.3859 62.6562 176.6328 129 A 3.9098 8.4689 123.8186 55.3186 18.2172 179.6010 130 I 3.6012 7.7109 117.2878 64.0994 37.7245 177.7235 131 N 4.2868 8.1740 117.2771 56.0811 38.1644 177.2359 132 A 3.8970 7.9860 122.0467 55.0050 18.5258 179.5558 133 W 4.5315 8.5476 117.7781 60.3541 29.1817 178.4865 134 N 4.5716 8.8140 116.6469 56.4127 37.8306 177.7013 135 R 3.8399 7.7941 119.6430 59.1290 29.8925 179.1456 136 F 3.8625 7.7406 116.5636 60.2991 38.9593 177.3753 137 G 4.1454 8.4959 104.4977 48.2640 0.0000 175.4958 138 V 3.9660 8.3251 120.2554 65.1532 31.6735 179.3560 139 G 3.7769 7.9267 102.2368 44.0267 0.0000 173.0455 *141 G 3.5931 7.7078 109.2755 45.0275 0.0000 172.9773 *143 Q 4.1728 8.4115 123.1649 55.1243 30.0709 173.5197 144 P 4.6352 0.0000 0.0000 63.1861 31.6789 175.9578 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 3 T 8.07 4.56 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 1.19 0.00 0.00 4 R 8.54 3.99 0.00 1.96 1.99 0.00 3.27 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 5 L 8.32 4.50 0.00 1.61 1.60 1.07 0.94 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 6 E 8.69 4.32 0.00 2.04 1.78 0.00 0.00 0.00 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 2.27 0.00 7 W 8.27 4.37 0.00 3.80 3.48 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 A 6.57 3.43 0.22 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 9 K 7.58 3.83 0.00 1.83 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.31 7.81 10 A 7.69 4.38 1.44 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 11 S 8.50 4.55 0.00 3.90 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 12 P 0.00 4.64 0.00 2.23 2.11 0.00 3.96 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 13 D 8.19 4.38 0.00 2.75 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 14 A 7.78 4.10 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.04 4.39 0.00 2.63 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 16 A 8.41 4.08 1.41 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 0.00 0.00 0.00 0.00 0.00 17 A 7.91 4.19 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 *19 L 8.06 4.39 0.00 1.79 1.68 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.80 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 21 L 7.62 4.04 0.00 1.83 1.82 0.80 0.84 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 22 E 8.39 4.15 0.00 2.28 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 0.00 3.00 2.64 0.00 23 K 8.34 3.96 0.00 1.86 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.73 7.81 24 A 8.10 4.17 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 25 L 8.31 3.98 0.00 1.97 1.99 1.10 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.32 4.00 1.39 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 0.00 0.00 27 K 7.65 4.18 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.63 7.81 28 A 6.67 4.48 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 29 G 8.90 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 30 L 7.64 4.03 0.00 1.79 1.62 1.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.78 4.08 0.00 2.13 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 2.42 2.45 0.00 32 R 8.76 3.84 0.00 1.89 1.92 0.00 3.16 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 33 P 0.00 4.27 0.00 2.22 2.10 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 34 L 7.89 4.01 0.00 1.82 1.90 1.08 1.16 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 35 I 7.54 3.77 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.69 0.64 0.00 0.00 36 E 8.32 3.96 0.00 2.12 2.02 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 2.49 2.47 0.00 37 L 7.71 3.98 0.00 1.86 1.65 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.86 3.69 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 1.11 0.00 0.00 1.00 0.00 0.00 39 Y 8.48 3.87 0.00 3.16 2.77 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 40 L 8.56 3.99 0.00 1.88 1.89 0.98 1.11 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 41 R 8.95 4.14 0.00 1.86 1.93 0.00 3.51 0.00 0.00 3.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 42 T 8.05 3.89 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 1.15 0.00 0.00 43 S 8.05 4.16 0.00 3.95 4.12 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 44 Q 8.10 4.02 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 45 I 7.58 3.72 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.63 0.91 0.00 0.00 46 N 8.37 4.69 0.00 2.77 2.86 0.00 0.00 7.09 8.51 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 47 G 7.84 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 48 C 8.06 4.48 0.00 3.06 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 49 A 8.52 4.05 1.39 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 0.00 0.00 50 Y 8.23 4.13 0.00 2.99 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 51 C 8.18 4.21 0.00 3.23 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 52 V 8.07 3.83 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 1.02 0.00 0.00 1.01 0.00 0.00 53 N 8.25 4.05 0.00 2.88 2.83 0.00 0.00 7.27 7.59 0.00 0.00 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 H 8.20 4.64 0.00 3.33 3.44 0.00 5.68 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 56 A 8.14 4.01 1.39 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 0.00 0.00 57 N 7.89 4.24 0.00 2.70 2.83 0.00 0.00 7.05 9.28 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 58 D 8.05 4.31 0.00 2.59 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 59 A 7.98 4.15 1.39 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 0.00 0.00 60 R 8.07 4.29 0.00 2.05 2.19 0.00 3.04 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 61 K 7.73 4.36 0.00 1.74 1.98 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.37 7.81 62 A 7.84 4.63 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 63 G 8.30 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 64 E 9.20 4.09 0.00 2.18 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 0.00 2.26 2.33 0.00 65 T 7.99 4.66 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 1.10 0.00 0.00 66 E 8.85 3.97 0.00 1.97 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 2.38 2.31 0.00 67 Q 7.82 3.86 0.00 1.89 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 68 R 7.54 3.98 0.00 1.77 1.93 0.00 3.04 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.24 0.00 69 L 7.75 4.22 0.00 1.82 1.78 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.15 4.20 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 71 A 7.83 4.54 1.77 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 72 L 7.86 4.17 0.00 2.19 1.83 0.69 0.96 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 73 C 8.20 4.60 0.00 3.23 3.24 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 74 V 7.90 4.48 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 0.91 0.00 0.00 1.07 0.00 0.00 75 W 8.33 4.66 0.00 3.01 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 76 Q 6.85 3.18 0.00 1.46 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.59 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 77 E 7.53 4.55 0.00 1.81 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 2.29 0.00 78 T 7.63 4.42 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 1.36 0.00 0.00 79 P 0.00 4.64 0.00 2.11 2.06 0.00 2.33 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 80 Y 7.10 4.50 0.00 2.44 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 81 F 7.93 5.09 0.00 3.14 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 82 T 9.68 4.24 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 1.27 0.00 0.00 83 P 0.00 4.23 0.00 2.17 2.18 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 84 R 7.88 3.57 0.00 1.68 1.83 0.00 2.90 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.00 85 E 8.19 4.03 0.00 2.33 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 2.41 2.42 0.00 86 R 8.09 3.48 0.00 2.09 2.20 0.00 3.32 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 87 A 8.21 4.05 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.95 3.95 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 89 L 7.57 3.62 0.00 0.27 0.13 -0.20 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.89 4.34 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 0.00 0.00 0.00 0.00 0.00 91 W 8.15 4.28 0.00 3.49 3.26 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 92 T 8.39 3.82 4.36 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 1.19 0.00 0.00 93 E 8.63 4.00 0.00 2.23 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 0.00 2.75 2.98 0.00 94 Q 7.82 3.94 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 95 L 7.69 3.90 0.00 1.30 1.46 0.08 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.99 4.11 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 97 R 7.51 4.55 0.00 1.80 1.89 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 98 L 8.00 3.82 0.00 1.81 1.60 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.95 4.31 0.00 3.98 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 0.00 100 Q 9.26 4.32 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 101 G 6.44 3.75 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 0.00 0.00 0.00 102 A 7.85 4.26 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 0.00 103 L 8.16 4.15 0.00 1.63 1.60 0.63 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.00 0.00 2.18 1.96 0.00 3.58 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 105 H 8.01 4.38 0.00 3.16 3.42 0.00 5.90 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 0.00 106 G 8.06 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 0.00 107 L 7.86 4.08 0.00 2.08 2.01 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.13 3.74 0.00 1.98 1.73 0.68 1.29 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 0.00 109 D 8.14 4.39 0.00 2.86 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 0.00 110 E 8.39 4.14 0.00 2.28 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 0.00 2.40 2.47 0.00 111 L 8.09 4.06 0.00 1.71 1.58 0.68 -0.76 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 0.00 112 R 7.79 4.26 0.00 2.01 1.96 0.00 3.19 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 113 E 8.06 4.07 0.00 1.67 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 2.38 2.53 0.00 114 H 8.04 4.58 0.00 2.77 2.82 0.00 5.64 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 0.00 115 F 7.91 5.01 0.00 2.92 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 0.00 116 D 9.20 4.75 0.00 2.93 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 0.00 117 D 8.50 4.35 0.00 2.78 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 0.00 118 K 8.03 3.92 0.00 1.83 1.94 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.54 7.81 119 E 9.09 4.15 0.00 2.38 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 2.44 2.48 0.00 120 I 7.84 3.24 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 0.52 0.00 0.00 121 A 8.00 4.01 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 0.00 122 E 8.33 3.92 0.00 2.16 2.02 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 2.34 2.45 0.00 123 L 8.25 3.98 0.00 1.46 1.65 0.91 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.57 4.10 4.51 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 1.33 0.00 0.00 125 L 8.37 3.94 0.00 1.85 1.94 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.32 4.19 1.56 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 0.00 0.00 127 V 8.24 3.50 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 0.91 0.00 0.00 1.05 0.00 0.00 128 S 8.63 4.07 0.00 4.05 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 0.00 129 A 8.47 3.91 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 0.00 0.00 130 I 7.71 3.60 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.69 0.00 0.00 131 N 8.17 4.29 0.00 2.96 2.78 0.00 0.00 6.86 7.02 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 0.00 132 A 7.99 3.90 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 0.00 133 W 8.55 4.53 0.00 3.50 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 0.00 134 N 8.81 4.57 0.00 2.72 2.91 0.00 0.00 7.06 7.25 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 0.00 135 R 7.79 3.84 0.00 1.78 1.71 0.00 3.16 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 136 F 7.74 3.86 0.00 2.97 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 0.00 137 G 8.50 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 0.00 138 V 8.33 3.97 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 0.85 0.00 0.00 1.06 0.00 0.00 139 G 7.93 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.41 4.17 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 144 P 0.00 4.64 0.00 2.22 2.09 0.00 3.87 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 2.02 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.