NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2483 8.2601 123.5807 52.4664 18.3923 175.9570 2 A 4.0720 7.9977 124.2416 52.3414 19.7190 172.5125 3 V 4.0068 8.6441 117.2495 63.6947 32.8291 173.3332 4 E 4.4505 9.7048 126.6575 56.5353 32.5696 175.5708 5 Y 5.2470 7.9337 115.6815 55.9113 42.1907 174.6143 6 L 5.0248 8.8662 125.1957 53.6588 43.9833 175.0090 7 V 4.7063 9.1808 127.9339 61.6970 33.1024 175.2253 8 D 4.6183 8.0602 127.2678 51.9515 42.2170 176.7915 9 A 3.9094 8.3608 119.2147 55.6735 18.4318 179.7877 10 S 3.9617 7.9899 111.9932 61.5238 62.8664 176.5308 11 A 3.8736 8.3939 124.2859 54.7901 18.1206 178.9946 12 L 3.6269 8.2152 119.2880 58.7506 41.9230 178.7988 13 Y 3.7670 8.3066 115.9512 60.9410 37.7377 177.9976 14 A 4.1498 7.9568 121.0375 55.5800 18.5014 179.3596 15 L 3.9770 8.3775 117.0198 58.0784 41.5675 179.5600 16 A 4.4318 8.0792 117.4300 53.6032 18.5053 177.3250 17 A 4.8057 7.7431 119.0373 52.1179 19.9905 176.7811 18 H 5.0630 9.3581 113.7844 57.6491 31.2728 175.1022 19 Y 3.5062 8.7211 123.4255 60.6680 38.9515 178.4428 20 D 3.9769 8.1435 118.5827 56.1906 39.5285 177.9596 21 K 4.3284 7.8263 117.1287 57.3090 32.1217 177.3032 22 W 5.2126 6.9991 112.0734 55.9098 31.1011 176.7543 23 I 2.2944 6.4928 120.0211 63.3178 37.2087 177.4427 24 K 3.9000 7.6200 119.7328 58.5322 32.2836 176.6976 25 H 5.0185 9.0392 115.4305 54.5845 29.5653 175.9293 26 R 3.7534 7.8128 119.3961 59.3652 29.0900 178.5264 27 E 4.0739 8.2166 115.8432 58.1946 29.8307 178.4635 28 K 4.5410 8.7455 118.9656 56.9224 32.8590 176.1536 29 L 5.1809 7.6754 119.4139 53.6078 43.4413 175.7838 30 A 5.4156 9.2575 123.8324 50.5871 23.6282 174.4021 31 I 5.0484 8.9481 112.0405 59.8905 42.1473 173.9268 32 L 4.8981 8.7040 121.7148 53.1724 44.2430 178.1247 33 H 4.2327 8.7922 117.1941 58.9599 29.1892 177.7493 34 L 4.1646 8.3404 120.5603 58.8049 41.6169 178.8327 35 T 3.9911 7.8329 114.8919 66.9002 68.3132 176.1302 36 I 3.5995 7.6500 121.0305 64.7872 37.0691 178.0413 37 Y 3.9665 7.6679 116.4914 61.1186 37.8286 178.2451 38 E 3.8829 8.6021 119.5504 59.5330 29.5916 179.4421 39 A 4.2271 8.5350 121.2390 54.8500 18.4000 179.9729 40 G 3.5580 8.3231 104.6140 48.1386 0.0000 175.4891 41 N 4.4495 9.0161 120.7449 56.0450 38.7664 176.7737 42 A 3.9301 8.0777 122.2843 55.1450 18.5313 179.1676 43 L 4.1623 8.1109 120.1554 57.4854 42.1442 178.8277 44 W 4.2373 8.5331 128.2054 60.6367 30.6062 177.9566 45 K 3.2948 8.0812 118.1952 59.4007 31.2295 179.0762 46 E 3.9231 7.7080 117.3448 59.2458 29.6233 179.0949 47 A 4.1618 7.8452 120.7865 55.2850 18.2833 179.7819 48 R 3.6423 7.6206 115.5971 58.8168 30.0638 177.9142 49 L 4.6904 7.6616 117.1653 53.8561 43.3209 174.3703 50 G 3.7673 8.1210 115.0691 45.5632 0.0000 174.2737 51 R 4.4766 8.0761 125.9918 55.5049 30.5611 177.6922 52 V 3.1219 6.6636 120.3420 63.8213 34.7866 176.7049 53 D 4.6378 7.5183 119.8264 52.2489 36.5620 177.3665 54 W 4.2372 7.6578 119.3874 60.6898 28.7944 177.1985 55 A 3.3150 6.4839 121.0798 54.1857 17.5644 178.8026 56 A 3.7564 7.5357 116.5682 55.0187 18.5082 179.5290 57 A 3.7741 7.9037 119.1188 55.4103 18.4982 180.0613 58 S 4.1381 8.6351 113.0046 61.6834 63.0388 176.9789 59 R 3.9852 7.9945 121.7804 59.3768 29.7180 178.6481 60 H 4.2716 8.2800 116.2462 58.6535 28.4494 177.6100 61 L 3.9202 8.0168 121.7123 57.7023 41.9319 178.6604 62 K 4.0832 7.7548 118.9303 59.4502 32.2767 178.5871 63 K 4.1814 7.6766 116.8069 59.4944 31.7756 179.7600 64 V 3.7640 7.8023 117.7426 64.1573 32.1208 177.3437 *66 S 4.5604 8.0186 110.9357 57.3761 64.5487 174.2344 67 S 4.5498 8.0908 113.6778 58.9585 63.5586 173.8358 68 F 4.6585 8.2405 120.5539 56.0786 40.0055 175.7879 69 K 4.2875 8.6789 124.8589 56.4483 33.6749 175.6255 70 V 4.8048 8.1649 124.4530 61.0369 33.2662 175.3507 71 L 4.4395 8.5947 128.3050 54.1790 42.6291 176.8542 72 E 4.3694 8.5599 119.6884 55.7983 30.2944 176.8407 73 D 4.5345 8.4309 120.7796 53.7743 41.4487 175.1187 74 P 4.6057 0.0000 0.0000 61.5511 32.2573 174.2120 75 P 4.4463 0.0000 0.0000 61.8926 31.8043 177.2800 76 L 4.0755 8.8879 125.7110 58.3633 41.4403 177.1511 77 D 4.1784 7.6474 114.5606 58.5417 41.9013 177.4928 78 E 3.9211 7.8487 117.1089 59.4163 29.9437 180.7656 79 V 3.1603 6.8361 118.2729 62.8837 31.2132 178.0119 *81 R 4.2345 8.1997 118.2774 55.7838 32.1161 178.1059 82 V 3.5850 7.7490 116.7023 65.9487 31.2893 177.8589 83 A 3.9619 8.2719 120.7380 55.2675 18.1162 179.5977 84 V 3.5626 7.7595 114.9161 66.2508 31.5819 177.7039 85 E 4.1884 8.1859 117.2571 58.9879 29.5747 178.4255 86 R 4.4733 8.3226 115.2683 55.0809 30.3791 176.5436 87 G 3.9295 7.9931 105.9847 46.6979 0.0000 173.8069 88 L 4.7377 7.4316 117.9622 52.6123 44.1724 177.3552 89 T 4.3092 8.0521 111.3435 61.1188 71.1568 175.4390 90 F 3.8671 8.5412 122.9200 61.4603 39.2192 176.8360 91 Y 4.3552 7.5994 115.8726 61.2985 37.9031 178.0555 92 D 4.5680 8.2992 119.4737 57.5137 40.9259 178.6835 93 A 4.0569 8.3714 121.4874 55.1514 18.1348 179.9721 94 S 3.8443 7.5783 113.5816 61.8064 62.8532 176.4090 95 Y 3.9067 7.5852 118.5021 60.9706 37.6393 178.0398 96 A 4.0334 8.0015 121.6481 55.6637 18.3808 178.9270 97 Y 3.8693 8.3046 117.8656 60.7525 38.9287 178.0270 98 V 3.4485 8.0960 118.8661 66.1728 31.5324 177.5302 99 A 3.9444 8.3911 120.4163 55.4113 18.0134 179.2574 100 E 3.8255 8.2501 115.8987 59.5412 30.0362 179.4700 101 S 4.0446 8.2084 113.1233 61.4683 62.1768 175.9649 102 S 4.3813 8.0768 114.1812 57.7698 62.4372 174.2177 103 G 3.9299 7.5781 108.7796 46.5939 0.0000 173.9901 104 L 4.4929 7.8840 118.2672 52.9734 44.3970 176.6579 105 V 4.1516 8.2191 120.9440 61.3124 32.9649 174.6217 106 L 4.6981 8.5414 131.3363 54.9655 43.5080 175.4706 107 V 4.6975 9.1700 127.6491 61.8498 32.6895 174.2953 108 T 4.8286 8.7968 122.4262 60.4723 70.9734 173.9230 109 Q 4.3406 8.6062 125.0590 55.9894 29.9988 175.5662 110 D 4.5084 8.2009 118.4131 54.2842 41.9725 176.4266 111 R 3.8920 8.6147 126.8736 59.3113 30.1990 178.3849 112 E 3.9181 8.6036 119.1793 59.4779 29.4654 178.8844 113 L 4.0157 8.0546 116.8912 57.6694 42.1199 178.9447 114 L 4.0917 8.1253 118.7590 57.8650 41.4145 179.1724 115 A 4.0424 7.7784 119.0267 55.2996 18.4201 179.0648 116 K 4.4852 7.8097 113.1140 55.6293 32.6512 176.7396 117 T 4.4735 7.4061 117.1194 60.9819 70.8053 173.2323 118 K 3.9281 8.8570 128.5872 57.9227 32.2333 176.4677 119 G 3.8558 8.9646 113.5089 46.0403 0.0000 172.8699 120 A 4.6046 7.6415 120.5383 51.7412 19.3578 177.4061 121 I 4.7759 8.6432 112.5088 59.5696 42.2535 174.0100 122 D 5.8431 8.3005 122.2488 51.5878 41.8676 177.5894 123 V 3.4509 8.6171 117.2321 66.1667 31.2781 177.2544 124 E 3.9097 8.2695 118.5295 59.7569 29.3394 178.8404 125 T 3.8198 8.8338 115.7804 66.6203 68.5104 176.3783 126 L 3.7730 7.7296 122.0477 58.1045 42.1283 179.0539 127 L 4.0424 8.3324 119.4020 57.7370 41.3434 179.7399 128 V 3.7684 7.8691 111.5302 63.6811 31.7397 178.7497 129 R 4.0880 7.8502 118.3229 59.2873 30.1310 178.6489 130 L 3.8407 8.2059 118.8895 57.8877 41.3479 179.4695 131 A 4.0761 7.7148 119.0598 54.9410 18.2777 178.5280 132 A 4.4516 7.7090 117.0853 52.4533 18.9857 177.5420 133 Q 4.0565 8.0403 125.7331 57.7735 30.0510 175.0552 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 1 A 8.26 4.25 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 2 A 8.00 4.07 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 3 V 8.64 4.01 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 0.92 0.00 0.00 0.96 0.00 0.00 4 E 9.70 4.45 0.00 1.59 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 2.04 2.35 0.00 5 Y 7.93 5.25 0.00 2.94 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 6 L 8.87 5.02 0.00 1.85 1.64 1.11 0.84 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 7 V 9.18 4.71 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 0.68 0.00 0.00 1.01 0.00 0.00 8 D 8.06 4.62 0.00 1.58 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 0.00 0.00 0.00 9 A 8.36 3.91 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 10 S 7.99 3.96 0.00 3.99 4.04 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 11 A 8.39 3.87 1.37 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 0.00 0.00 0.00 12 L 8.22 3.63 0.00 1.70 1.84 0.75 -0.01 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 13 Y 8.31 3.77 0.00 3.18 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 14 A 7.96 4.15 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.38 3.98 0.00 1.69 1.22 0.62 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.08 4.43 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 17 A 7.74 4.81 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 18 H 9.36 5.06 0.00 3.57 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.72 3.51 0.00 3.05 2.91 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 20 D 8.14 3.98 0.00 2.77 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 21 K 7.83 4.33 0.00 2.07 1.98 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.49 1.39 7.81 22 W 7.00 5.21 0.00 3.53 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 23 I 6.49 2.29 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.79 0.37 0.00 0.00 24 K 7.62 3.90 0.00 1.54 1.51 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.32 7.81 25 H 9.04 5.02 0.00 3.29 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.81 3.75 0.00 2.11 2.30 0.00 2.76 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 27 E 8.22 4.07 0.00 2.15 2.26 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 2.39 2.30 0.00 28 K 8.75 4.54 0.00 2.12 2.11 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.72 1.43 7.81 29 L 7.68 5.18 0.00 1.49 1.54 0.99 0.21 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 30 A 9.26 5.42 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 31 I 8.95 5.05 1.91 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 1.50 0.93 0.86 0.00 0.00 32 L 8.70 4.90 0.00 1.53 1.54 -0.01 1.24 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 33 H 8.79 4.23 0.00 3.43 3.54 0.00 5.64 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 34 L 8.34 4.16 0.00 1.75 1.75 1.20 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.83 3.99 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 36 I 7.65 3.60 1.47 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 1.60 0.88 0.57 0.00 0.00 37 Y 7.67 3.97 0.00 3.22 3.01 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 38 E 8.60 3.88 0.00 2.04 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 2.19 2.25 0.00 39 A 8.53 4.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 3.56 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 0.00 41 N 9.02 4.45 0.00 2.85 3.00 0.00 0.00 7.17 6.40 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 42 A 8.08 3.93 1.19 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 0.00 0.00 0.00 43 L 8.11 4.16 0.00 2.14 1.99 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.53 4.24 0.00 3.42 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 0.00 45 K 8.08 3.29 0.00 2.03 1.72 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.30 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.55 7.81 46 E 7.71 3.92 0.00 2.08 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 0.00 2.60 2.61 0.00 47 A 7.85 4.16 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 48 R 7.62 3.64 0.00 1.19 1.58 0.00 3.11 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.75 0.00 49 L 7.66 4.69 0.00 1.53 1.61 0.84 0.70 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 50 G 8.12 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 51 R 8.08 4.48 0.00 1.96 1.83 0.00 3.44 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 V 6.66 3.12 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 0.83 0.00 0.00 0.94 0.00 0.00 53 D 7.52 4.64 0.00 2.79 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 54 W 7.66 4.24 0.00 3.64 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 0.00 55 A 6.48 3.32 0.32 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 0.00 0.00 0.00 56 A 7.54 3.76 1.15 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 57 A 7.90 3.77 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 58 S 8.64 4.14 0.00 4.16 4.52 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 59 R 7.99 3.99 0.00 2.09 2.03 0.00 3.10 0.00 0.00 3.15 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 60 H 8.28 4.27 0.00 3.23 3.25 0.00 5.64 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 61 L 8.02 3.92 0.00 1.80 1.81 0.99 0.79 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 62 K 7.75 4.08 0.00 1.97 2.06 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.51 7.81 63 K 7.68 4.18 0.00 1.89 1.84 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.63 7.81 64 V 7.80 3.76 2.38 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 1.47 0.00 0.00 1.01 0.00 0.00 *66 S 8.02 4.56 0.00 4.12 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 67 S 8.09 4.55 0.00 4.09 4.18 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 68 F 8.24 4.66 0.00 2.96 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 69 K 8.68 4.29 0.00 1.85 1.74 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.44 7.81 70 V 8.16 4.80 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 0.60 0.00 0.00 1.01 0.00 0.00 71 L 8.59 4.44 0.00 1.60 1.62 0.95 0.87 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 72 E 8.56 4.37 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 73 D 8.43 4.53 0.00 2.72 2.66 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 74 P 0.00 4.61 0.00 1.97 2.15 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 75 P 0.00 4.45 0.00 2.08 1.96 0.00 3.38 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 2.13 2.10 0.00 76 L 8.89 4.08 0.00 1.63 1.74 0.75 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.65 4.18 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.85 3.92 0.00 1.16 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 2.23 2.15 0.00 79 V 6.84 3.16 1.60 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 -0.12 0.00 0.00 0.57 0.00 0.00 *81 R 8.20 4.23 0.00 2.01 1.99 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 82 V 7.75 3.58 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 0.90 0.00 0.00 1.11 0.00 0.00 83 A 8.27 3.96 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 84 V 7.76 3.56 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 0.91 0.00 0.00 0.94 0.00 0.00 85 E 8.19 4.19 0.00 2.07 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 2.35 2.48 0.00 86 R 8.32 4.47 0.00 1.80 1.96 0.00 3.31 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 87 G 7.99 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 88 L 7.43 4.74 0.00 1.62 1.60 0.94 1.24 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 89 T 8.05 4.31 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 90 F 8.54 3.87 0.00 2.98 2.69 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 91 Y 7.60 4.36 0.00 3.18 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 92 D 8.30 4.57 0.00 2.82 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 93 A 8.37 4.06 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 94 S 7.58 3.84 0.00 3.85 3.65 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 0.00 0.00 0.00 0.00 95 Y 7.59 3.91 0.00 3.40 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 96 A 8.00 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.30 3.87 0.00 3.07 3.08 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 98 V 8.10 3.45 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 0.92 0.00 0.00 1.02 0.00 0.00 99 A 8.39 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.25 3.83 0.00 2.09 1.94 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 2.32 2.31 0.00 101 S 8.21 4.04 0.00 2.90 3.31 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 0.00 102 S 8.08 4.38 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.58 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 0.00 104 L 7.88 4.49 0.00 1.50 1.59 0.93 0.82 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 0.00 105 V 8.22 4.15 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 1.20 0.00 0.00 0.84 0.00 0.00 106 L 8.54 4.70 0.00 1.82 1.57 0.99 0.89 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 0.00 107 V 9.17 4.70 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 0.77 0.00 0.00 0.93 0.00 0.00 108 T 8.80 4.83 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 1.18 0.00 0.00 109 Q 8.61 4.34 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 110 D 8.20 4.51 0.00 2.69 2.50 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 0.00 111 R 8.61 3.89 0.00 1.85 1.97 0.00 3.35 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 112 E 8.60 3.92 0.00 2.10 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 2.32 2.41 0.00 113 L 8.05 4.02 0.00 1.64 1.71 0.90 1.06 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 0.00 114 L 8.13 4.09 0.00 1.91 1.73 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.78 4.04 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 0.00 116 K 7.81 4.49 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 117 T 7.41 4.47 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 1.24 0.00 0.00 118 K 8.86 3.93 0.00 1.85 1.74 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.40 7.81 119 G 8.96 3.86 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 0.00 0.00 0.00 120 A 7.64 4.60 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 0.00 121 I 8.64 4.78 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 1.01 0.00 0.00 122 D 8.30 5.84 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.62 3.45 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 0.94 0.00 0.00 0.95 0.00 0.00 124 E 8.27 3.91 0.00 2.06 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 2.37 2.41 0.00 125 T 8.83 3.82 4.38 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 1.23 0.00 0.00 126 L 7.73 3.77 0.00 1.52 1.66 -0.37 0.35 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 0.00 127 L 8.33 4.04 0.00 1.79 1.67 0.81 0.99 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 0.00 128 V 7.87 3.77 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 0.82 0.00 0.00 1.00 0.00 0.00 129 R 7.85 4.09 0.00 2.04 2.02 0.00 3.31 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 130 L 8.21 3.84 0.00 1.64 1.65 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.71 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.71 4.45 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 0.00 133 Q 8.04 4.06 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.