NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.8696 8.2233 120.5426 53.8363 42.9491 176.9380 4 D 4.3006 8.0740 119.3478 55.8707 40.9786 175.9102 5 I 3.6055 8.3167 119.6534 63.0216 39.0795 175.4131 6 F 4.9452 7.3630 117.9873 55.9081 40.2602 175.5779 7 E 4.0521 9.0460 124.7693 59.2653 29.5250 178.0905 8 R 4.2901 7.6064 113.5025 54.9270 31.4061 174.4335 9 G 3.8188 8.2014 102.6354 43.7025 0.0000 172.7930 10 S 3.4906 8.7842 114.1733 57.1794 63.4206 173.8075 11 K 3.2471 8.2301 128.8782 55.7020 32.5436 176.5753 12 G 3.2650 7.7867 115.8743 46.0934 0.0000 173.4141 13 S 4.2488 8.9264 119.9687 57.8761 63.0487 175.0672 14 S 4.4698 8.3540 120.6627 60.2116 62.7900 175.3113 15 D 4.0688 7.7613 121.0897 56.3214 40.5866 176.8615 16 F 3.9548 7.5007 115.3383 56.3034 41.6756 175.2447 17 F 5.3320 7.5588 116.2602 55.8173 43.3979 173.7387 18 T 4.3177 9.3323 119.0125 63.3359 70.3468 176.3543 19 G 3.9696 8.5864 114.7676 44.7365 0.0000 171.0523 20 N 4.4835 8.3944 116.4102 51.7992 40.3645 174.6869 21 V 4.6787 7.0736 122.7032 60.7522 35.6327 173.6755 22 W 4.9050 8.9096 126.0608 54.6831 32.9074 174.3250 23 V 4.7427 8.7983 124.1639 61.2622 33.7136 174.1507 24 K 4.8551 8.7824 128.9208 55.6307 35.3218 176.5861 *26 L 4.1979 8.6468 119.6660 55.0965 43.6171 177.1907 27 V 4.3136 8.0554 118.8317 61.3198 33.3577 175.6106 28 T 4.1128 8.7265 117.5427 61.4830 69.9373 173.9833 29 D 4.5012 8.3872 123.4175 55.2638 39.5563 175.3555 30 E 4.0016 8.5553 115.1065 58.7342 29.8113 179.7244 31 N 4.7983 8.3282 113.7378 52.2647 38.8681 175.4468 32 G 4.1144 8.4575 105.5023 46.3665 0.0000 175.5202 33 V 3.4816 7.4378 119.8237 64.6122 31.4429 176.8380 34 F 4.7058 8.6545 116.2341 56.1474 40.8858 174.8579 35 N 4.3315 8.3136 117.7602 54.0048 37.8692 172.9618 36 T 5.2471 8.1033 109.7924 62.0178 72.7665 173.2658 37 Q 5.0321 9.0214 124.3026 54.2308 32.6228 174.7632 38 V 4.6907 8.8699 121.1323 61.4191 35.2948 173.8165 39 Y 5.3720 8.0110 124.2855 55.6259 42.2418 172.9822 40 D 5.3597 9.4519 120.0603 52.5179 44.3166 174.7122 41 V 4.9386 9.0869 125.6262 60.9405 35.3353 174.1916 42 V 4.9438 8.5188 126.7867 60.0062 34.1082 174.2291 43 F 5.0536 9.4186 124.7598 55.6337 40.8510 175.7282 44 E 4.6614 9.1443 123.6327 55.1180 30.9677 174.8212 45 P 4.7250 0.0000 0.0000 64.6814 31.7093 177.4626 46 G 4.0164 9.2611 110.7404 44.7070 0.0000 173.5285 47 A 4.7050 8.0993 122.5815 51.8143 20.2729 176.6355 48 R 5.0556 8.7220 115.6607 55.3465 33.1884 174.4959 49 T 4.6800 8.9645 111.0784 61.8986 69.7356 173.7481 50 H 4.6258 8.9587 120.7302 55.2226 29.9946 175.4318 51 W 4.8505 9.1014 120.3924 57.9185 30.0155 175.4354 52 H 5.0875 9.0625 118.3128 55.2839 31.8923 172.3594 53 S 5.0563 8.5052 112.2930 57.1390 67.0427 172.4434 54 H 5.0354 8.5461 117.1347 53.3867 30.8850 173.5231 55 P 4.8678 0.0000 0.0000 64.5383 31.3504 177.3647 56 G 4.1472 7.6275 103.6359 44.3726 0.0000 173.8687 57 G 3.9695 9.4582 106.0588 45.1320 0.0000 171.5726 58 Q 4.9551 8.5601 117.7274 54.7750 33.1560 173.0871 59 I 4.9478 8.7745 125.3268 59.4929 40.6066 174.3281 60 L 5.0943 8.6377 126.8823 53.0087 44.5080 175.7318 61 I 4.8454 8.6668 123.4808 59.4357 40.4265 174.7451 62 V 4.3877 8.8172 129.2517 62.7848 31.9180 176.4031 63 T 4.4989 8.8339 117.8394 62.3148 70.8353 174.4768 64 R 4.4047 8.0644 120.6730 56.5632 33.0991 175.4597 65 G 3.9412 9.5537 110.8040 44.2580 0.0000 171.4160 66 K 4.8704 8.7387 120.4271 55.1586 36.0526 177.2471 67 G 4.4445 8.7991 112.9580 45.6484 0.0000 170.9817 68 F 5.2760 9.2446 117.0728 55.7995 43.7174 173.6151 69 Y 4.8311 8.8283 122.9148 55.7500 42.0325 174.0145 70 Q 4.1900 7.4338 126.5577 54.3315 32.8117 173.5042 71 E 4.8576 8.3185 125.3034 54.8354 31.7755 175.8390 72 R 3.9365 8.6981 123.6094 57.9508 30.3946 177.2079 73 G 3.9461 8.9550 112.1277 45.6666 0.0000 172.9673 74 K 4.7151 7.8063 117.9706 53.2810 35.1428 174.3708 75 P 4.3558 0.0000 0.0000 62.4034 31.8618 176.5687 76 A 4.2580 8.4576 123.7100 52.1876 19.4064 176.4994 77 R 4.5654 9.0849 121.2373 54.6283 32.2994 175.3757 78 I 3.8711 8.2699 127.1345 60.7782 38.2592 175.0672 79 L 5.0200 8.8552 127.0461 52.8386 44.7061 175.7054 80 K 5.1992 9.0570 121.1386 53.3398 37.0022 175.2972 81 K 4.0296 8.6458 120.6529 58.5974 32.0840 176.4468 82 G 4.0084 9.0562 115.2001 45.1384 0.0000 173.4776 83 D 4.5239 7.9255 120.2847 54.2014 42.1365 175.4985 84 V 4.6560 8.2353 121.8490 61.0723 33.9663 174.5340 85 V 4.0565 8.6550 128.5342 61.1210 33.4813 174.0961 86 E 4.5078 8.5996 128.1472 55.3119 30.5847 175.9382 87 I 4.2931 8.5935 127.6047 58.8361 38.8235 174.1042 88 P 4.7252 0.0000 0.0000 61.2041 32.8700 174.4621 89 P 4.4950 0.0000 0.0000 64.7965 31.8183 176.6960 90 N 4.3354 9.4107 119.1088 53.3468 37.1767 173.9725 91 V 4.0800 7.5887 119.7102 62.7639 32.2758 175.6114 92 V 4.4012 8.5259 128.5384 62.9063 32.9511 174.3409 93 H 5.7397 9.3374 122.7146 54.6650 32.5804 171.8757 94 W 5.6704 8.5433 115.3314 55.2218 31.9319 173.5418 95 H 5.1747 9.1469 115.0257 54.1179 32.2572 172.6299 96 G 3.6576 7.9107 104.5432 46.1377 0.0000 171.9949 97 A 5.0981 8.7940 122.4112 51.0037 19.6206 177.7428 98 A 4.7314 8.8560 122.3057 51.5256 19.0641 177.4825 99 P 4.5921 0.0000 0.0000 64.9679 31.5251 177.4109 100 D 4.9620 7.8901 115.5825 52.2105 40.0584 174.3183 101 E 4.9143 7.8735 118.0503 55.5913 32.9966 174.4466 102 E 4.5677 8.8952 124.1028 56.3211 31.7379 174.9103 103 L 5.2557 9.0013 122.6028 53.3584 45.2266 175.1456 104 V 5.2392 9.0036 126.1393 61.4839 34.5257 173.8485 105 H 5.3717 9.1521 121.7049 54.4577 32.4296 172.4438 106 I 4.5539 8.8757 121.3751 60.7730 38.7124 175.1446 107 G 4.2367 8.9953 113.1581 44.2686 0.0000 171.7644 108 I 4.6440 8.6481 124.8727 59.2905 40.3024 174.8841 109 S 4.8313 9.0209 125.0682 58.0058 64.1361 173.9334 110 T 4.6161 8.5287 115.1878 60.0897 71.4769 174.3890 111 Q 3.6584 8.4435 119.3646 56.9950 26.4578 175.6709 112 V 3.6778 8.0707 118.7014 66.2096 32.2273 177.2923 113 H 4.1331 8.7824 119.0517 58.6654 29.7101 176.0658 114 L 4.1231 7.8233 118.1826 55.8561 41.6343 176.0399 115 G 4.2874 7.4373 104.1972 42.0906 0.0000 171.6122 116 P 4.5326 0.0000 0.0000 61.4452 32.3946 175.8270 117 A 3.9746 8.2575 120.3997 52.1012 19.2409 176.5392 118 E 4.4684 8.9952 122.4601 54.4182 31.4601 174.6412 119 W 5.0577 8.8586 127.2358 55.4581 30.4241 175.9535 120 L 5.0556 8.9904 126.5934 54.2564 44.5918 176.3246 121 G 4.0954 8.8253 110.8102 46.7284 0.0000 173.2559 122 S 4.5962 8.3301 114.8854 57.6622 64.3198 173.9914 123 V 3.9428 7.8476 121.2428 62.1817 31.8201 176.7264 124 T 4.2140 8.8131 120.9085 61.8779 70.8430 175.7696 125 E 4.0589 8.7431 121.2314 61.6345 29.5426 180.5890 126 E 4.1812 8.0510 118.1738 59.4448 29.7451 179.0211 127 E 4.0503 8.3898 118.7983 59.5495 29.3990 178.8840 128 Y 3.8023 8.3791 119.9510 60.4428 38.8036 177.7767 129 R 3.7825 8.2859 122.1552 60.0982 30.0155 179.2816 130 K 3.9240 7.8846 121.7281 59.7526 31.7276 180.4259 131 A 4.3510 8.0461 121.1309 54.3459 18.5840 178.2831 132 T 3.5151 7.2007 106.4471 61.9639 70.7081 174.4502 133 E 4.0532 8.2955 123.4081 57.2343 29.8920 176.7973 134 G 3.8879 9.0044 115.4929 46.4748 0.0000 174.1878 135 K 4.2786 8.0588 126.3952 54.4446 32.0196 180.5745 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 D 8.22 4.87 0.00 2.85 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 4 D 8.07 4.30 0.00 2.72 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 5 I 8.32 3.61 1.55 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.36 -0.34 0.00 0.00 6 F 7.36 4.95 0.00 3.32 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 7 E 9.05 4.05 0.00 1.90 1.91 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 2.21 2.30 0.00 8 R 7.61 4.29 0.00 1.18 1.60 0.00 2.93 0.00 0.00 2.97 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.16 0.00 9 G 8.20 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 0.00 0.00 0.00 10 S 8.78 3.49 0.00 3.75 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 11 K 8.23 3.25 0.00 1.47 1.36 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.21 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.81 0.21 7.81 12 G 7.79 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 0.00 0.00 0.00 13 S 8.93 4.25 0.00 3.81 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 14 S 8.35 4.47 0.00 3.91 3.89 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 15 D 7.76 4.07 0.00 1.58 1.54 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 0.00 16 F 7.50 3.95 0.00 1.51 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 17 F 7.56 5.33 0.00 2.76 2.78 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 18 T 9.33 4.32 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 1.07 0.00 0.00 19 G 8.59 3.97 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 0.00 20 N 8.39 4.48 0.00 2.75 2.81 0.00 0.00 6.23 7.68 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 21 V 7.07 4.68 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.67 0.00 0.00 22 W 8.91 4.91 0.00 3.24 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 23 V 8.80 4.74 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 1.07 0.00 0.00 0.65 0.00 0.00 24 K 8.78 4.86 0.00 1.85 1.73 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.25 7.81 *26 L 8.65 4.20 0.00 1.75 1.75 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.06 4.31 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 1.04 0.00 0.00 0.77 0.00 0.00 28 T 8.73 4.11 4.30 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 1.28 0.00 0.00 29 D 8.39 4.50 0.00 3.23 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 30 E 8.56 4.00 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 2.24 1.93 0.00 31 N 8.33 4.80 0.00 2.75 2.83 0.00 0.00 7.07 7.96 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 32 G 8.46 4.11 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 0.00 33 V 7.44 3.48 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 -0.15 0.00 0.00 0.80 0.00 0.00 34 F 8.65 4.71 0.00 3.08 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 35 N 8.31 4.33 0.00 3.00 2.85 0.00 0.00 6.79 6.50 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 36 T 8.10 5.25 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 1.25 0.00 0.00 37 Q 9.02 5.03 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 38 V 8.87 4.69 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 0.91 0.00 0.00 0.81 0.00 0.00 39 Y 8.01 5.37 0.00 3.08 3.06 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 0.00 0.00 0.00 0.00 40 D 9.45 5.36 0.00 2.77 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 41 V 9.09 4.94 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 0.36 0.00 0.00 1.12 0.00 0.00 42 V 8.52 4.94 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 0.84 0.00 0.00 1.07 0.00 0.00 43 F 9.42 5.05 0.00 3.14 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 44 E 9.14 4.66 0.00 2.12 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 2.77 2.69 0.00 45 P 0.00 4.72 0.00 2.12 2.27 0.00 3.81 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 2.20 0.00 46 G 9.26 4.02 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 0.00 0.00 0.00 47 A 8.10 4.71 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.72 5.06 0.00 2.21 2.02 0.00 2.21 0.00 0.00 2.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 0.00 49 T 8.96 4.68 4.53 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 1.59 0.00 0.00 50 H 8.96 4.63 0.00 3.38 3.72 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 9.10 4.85 0.00 3.47 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 52 H 9.06 5.09 0.00 2.36 2.81 0.00 5.22 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.51 5.06 0.00 3.79 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 54 H 8.55 5.04 0.00 3.08 3.23 0.00 5.63 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 55 P 0.00 4.87 0.00 2.13 2.14 0.00 3.84 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 56 G 7.63 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 57 G 9.46 3.97 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 0.00 58 Q 8.56 4.96 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 59 I 8.77 4.95 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.83 0.00 0.00 60 L 8.64 5.09 0.00 1.36 1.33 0.54 0.59 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 61 I 8.67 4.85 1.85 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 1.06 0.79 0.88 0.00 0.00 62 V 8.82 4.39 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 1.06 0.00 0.00 0.90 0.00 0.00 63 T 8.83 4.50 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 64 R 8.06 4.40 0.00 1.90 1.79 0.00 3.20 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 65 G 9.55 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 66 K 8.74 4.87 0.00 1.78 1.62 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.24 7.81 67 G 8.80 4.44 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 68 F 9.24 5.28 0.00 2.98 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 69 Y 8.83 4.83 0.00 2.83 2.60 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 70 Q 7.43 4.19 0.00 1.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 71 E 8.32 4.86 0.00 1.92 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 1.91 0.00 72 R 8.70 3.94 0.00 1.54 1.68 0.00 3.02 0.00 0.00 2.72 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 73 G 8.96 3.95 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 0.00 0.00 0.00 74 K 7.81 4.72 0.00 1.84 1.70 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.52 7.81 75 P 0.00 4.36 0.00 2.06 2.01 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 2.04 2.10 0.00 76 A 8.46 4.26 1.28 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 77 R 9.08 4.57 0.00 1.91 2.05 0.00 3.12 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 78 I 8.27 3.87 1.71 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.56 0.58 0.00 0.00 79 L 8.86 5.02 0.00 1.41 1.45 0.87 0.22 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 80 K 9.06 5.20 0.00 1.72 1.81 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.16 7.81 81 K 8.65 4.03 0.00 1.73 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.64 7.81 82 G 9.06 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 83 D 7.93 4.52 0.00 2.66 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 84 V 8.24 4.66 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 0.70 0.00 0.00 0.88 0.00 0.00 85 V 8.65 4.06 1.67 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 -0.08 0.00 0.00 0.64 0.00 0.00 86 E 8.60 4.51 0.00 1.81 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 2.18 2.25 0.00 87 I 8.59 4.29 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.41 0.79 0.00 0.00 88 P 0.00 4.73 0.00 2.09 1.97 0.00 3.67 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 89 P 0.00 4.50 0.00 2.04 2.29 0.00 3.78 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 2.05 2.16 0.00 90 N 9.41 4.34 0.00 2.90 2.97 0.00 0.00 6.26 7.34 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 91 V 7.59 4.08 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 0.77 0.00 0.00 0.99 0.00 0.00 92 V 8.53 4.40 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 1.11 0.00 0.00 0.94 0.00 0.00 93 H 9.34 5.74 0.00 3.10 3.38 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 W 8.54 5.67 0.00 3.32 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 95 H 9.15 5.17 0.00 3.32 3.51 0.00 5.56 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.91 3.66 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 0.00 97 A 8.79 5.10 1.62 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 0.00 0.00 98 A 8.86 4.73 1.64 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 99 P 0.00 4.59 0.00 2.15 2.30 0.00 3.81 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 2.05 1.99 0.00 100 D 7.89 4.96 0.00 2.77 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 0.00 101 E 7.87 4.91 0.00 2.09 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 2.32 2.33 0.00 102 E 8.90 4.57 0.00 2.37 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 2.43 2.40 0.00 103 L 9.00 5.26 0.00 2.09 1.77 0.99 0.78 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 0.00 104 V 9.00 5.24 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 1.13 0.00 0.00 1.00 0.00 0.00 105 H 9.15 5.37 0.00 3.39 3.45 0.00 5.50 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.88 4.55 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.84 0.00 0.00 107 G 9.00 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 0.00 0.00 0.00 0.00 108 I 8.65 4.64 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.66 0.84 0.00 0.00 109 S 9.02 4.83 0.00 3.96 3.89 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 0.00 110 T 8.53 4.62 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 1.20 0.00 0.00 111 Q 8.44 3.66 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 112 V 8.07 3.68 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 1.07 0.00 0.00 1.06 0.00 0.00 113 H 8.78 4.13 0.00 3.30 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.82 4.12 0.00 1.85 1.74 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.44 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 0.00 0.00 0.00 0.00 116 P 0.00 4.53 0.00 2.23 2.11 0.00 3.79 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 2.01 1.99 0.00 117 A 8.26 3.97 0.72 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 0.00 118 E 9.00 4.47 0.00 1.95 1.74 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 2.22 2.29 0.00 119 W 8.86 5.06 0.00 3.39 3.30 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 0.00 120 L 8.99 5.06 0.00 1.77 1.56 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.83 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 0.00 122 S 8.33 4.60 0.00 3.73 3.50 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 0.00 123 V 7.85 3.94 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 -0.08 0.00 0.00 -0.40 0.00 0.00 124 T 8.81 4.21 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 1.25 0.00 0.00 125 E 8.74 4.06 0.00 1.99 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 2.32 1.99 0.00 126 E 8.05 4.18 0.00 2.12 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 2.40 1.96 0.00 127 E 8.39 4.05 0.00 2.25 2.13 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 2.50 2.42 0.00 128 Y 8.38 3.80 0.00 2.62 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 0.00 129 R 8.29 3.78 0.00 2.05 1.90 0.00 3.30 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 1.65 1.63 0.00 130 K 7.88 3.92 0.00 1.91 1.72 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.33 7.81 131 A 8.05 4.35 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 0.00 132 T 7.20 3.52 3.41 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 -0.28 0.00 0.00 133 E 8.30 4.05 0.00 1.94 1.86 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 2.31 2.25 0.00 134 G 9.00 3.89 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 0.00 0.00 0.00 135 K 8.06 4.28 0.00 1.79 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.