NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1330 8.1633 120.7298 55.2651 33.9757 173.9343 2 R 4.8929 8.6861 119.1893 52.4510 34.5605 169.5829 3 V 5.5265 8.5153 122.6308 59.8112 35.3519 173.8800 4 V 4.2447 8.7426 126.0759 62.5733 32.8965 174.4636 5 I 5.1332 9.2319 128.5308 59.7154 40.7566 174.6242 6 Q 5.0137 8.7988 123.9433 54.0139 32.7675 174.5615 7 R 4.5151 8.7002 125.3685 56.5218 31.4826 175.6892 8 V 5.0729 9.0814 118.3690 59.9182 35.8802 176.1278 9 K 4.6743 8.5609 121.1307 55.2891 33.4653 176.4899 10 G 4.1328 7.4366 108.9988 46.3801 0.0000 171.6401 11 A 5.2960 7.9028 121.0573 50.4552 23.3126 175.7537 12 I 4.4121 8.9760 122.0456 59.4342 40.3468 173.9997 13 L 4.6393 8.2843 129.8133 54.1978 43.2783 175.6409 14 S 5.1843 8.5334 120.6060 57.2877 68.1531 173.1765 15 V 4.6132 8.1615 112.5972 60.4003 36.1318 174.3599 16 R 5.0756 8.5015 119.0063 54.7620 31.1284 175.9897 *26 E 4.3523 8.7055 122.6879 55.8710 31.2984 175.6810 27 L 4.6820 7.6336 115.9239 53.5653 43.6551 175.5191 28 E 4.5998 9.1658 121.3358 54.3847 32.6492 174.7500 29 I 4.4918 8.8474 128.6573 61.1676 37.3632 175.9567 30 I 4.6269 8.6139 118.3196 60.4481 38.7980 175.0693 31 S 4.6448 7.5701 116.4762 57.5450 66.0953 172.3617 32 E 5.4399 8.5780 121.0846 56.4502 32.2321 174.8259 33 I 4.8100 8.0867 120.1979 58.0122 41.3246 175.2900 34 K 5.1237 8.7129 117.8214 53.1475 32.8100 174.6632 35 N 4.0396 9.0488 113.7598 51.3505 40.4336 173.4560 36 G 4.9447 7.3779 113.3502 46.0692 0.0000 171.5322 37 L 5.4285 8.5123 122.0266 52.9969 46.0988 175.5707 38 I 4.9002 8.4707 120.3084 59.6854 41.0183 173.6805 39 C 5.3069 8.6337 127.3087 58.1595 30.9857 173.2256 40 F 4.8650 9.4673 123.5894 56.0468 39.3918 174.1304 41 L 4.9780 9.0068 127.7167 53.6300 43.9058 175.2332 42 G 5.0588 9.2376 114.8746 45.7604 0.0000 172.4567 43 I 4.6069 8.5546 127.3277 61.0702 38.8671 174.4280 44 H 3.9937 9.8886 127.6036 54.7968 31.0675 176.1771 45 K 4.0089 7.3385 127.7923 59.2518 32.6958 177.4356 46 N 4.9490 7.8429 114.1304 52.3599 38.5557 175.1217 47 D 4.7922 7.9177 118.5626 53.4971 42.1112 177.2552 48 T 4.5848 8.5281 114.9555 60.1268 70.3373 175.6281 49 W 4.2173 9.1891 132.6635 61.0328 30.1964 178.1053 50 E 4.0625 7.9861 117.8715 59.3110 29.1054 178.7403 51 D 4.4403 8.8250 119.3521 57.3528 40.6981 178.5341 52 A 3.8700 7.8520 120.6602 55.0407 18.2890 179.3194 53 L 3.8867 7.3333 117.0588 57.2740 41.1478 178.6355 54 Y 4.0926 7.9342 119.7624 59.9748 38.6225 177.3951 55 I 3.7076 7.5457 120.6489 64.3367 37.3877 177.8873 56 I 3.1154 7.0157 119.0863 64.4548 36.8636 178.5314 57 R 3.7818 7.6239 118.7879 59.1444 29.8213 178.8568 58 K 3.8166 7.3882 117.5371 59.4866 31.8854 178.9784 59 C 4.1635 8.5112 116.1930 63.1631 26.9579 176.1196 60 L 4.3164 8.4419 120.0593 56.4938 41.0961 177.9581 61 N 4.4029 7.6977 112.9831 52.3762 40.5225 174.6376 62 L 4.1356 8.3791 121.0478 54.8406 42.4392 177.0775 63 R 4.9835 8.4892 123.4962 55.4406 28.5720 176.3549 64 L 4.9200 8.2132 117.6009 53.9004 42.5449 176.2839 65 W 4.6235 8.0214 119.8998 54.6467 31.2456 174.9314 66 N 4.7356 8.5061 120.5698 52.9627 38.6124 174.4130 67 N 4.6032 9.3575 119.7027 53.8714 42.5959 174.1047 68 D 4.1468 9.4024 125.8327 55.8527 37.9061 173.0530 69 N 4.4232 9.1522 108.5541 53.8381 35.6666 175.0687 70 K 4.6347 7.7700 115.0539 55.2151 36.6049 175.6071 71 T 4.4798 8.3340 112.7186 60.6240 71.0847 174.0368 72 W 4.1761 7.7267 121.2266 56.7971 26.0220 172.7312 73 D 4.6670 8.1595 115.9865 54.6951 44.3151 175.5145 74 K 4.7153 7.9790 118.4248 54.3756 33.8769 175.9987 75 N 6.0830 10.1318 122.1037 50.8759 39.1456 176.3234 76 V 3.3124 8.7228 118.0205 64.9307 30.9506 178.4832 77 K 3.3057 7.3287 117.0418 59.2176 31.7456 178.9883 78 D 4.4306 8.7549 118.4795 56.6593 40.8924 178.1834 79 L 4.3205 6.4955 116.7250 53.1261 42.7773 176.0145 80 N 5.0734 8.3499 114.9138 54.7625 36.2710 173.8983 81 Y 4.7197 7.7098 114.8157 57.4264 39.5137 175.5199 82 E 4.6246 8.3830 121.1993 56.0609 32.2176 175.8205 83 L 4.7992 8.6367 119.9160 53.6928 46.0813 175.6932 84 L 4.7390 8.9237 128.0557 53.9990 43.3634 175.0984 85 I 4.8159 8.7312 128.3177 59.6335 39.8135 175.2380 86 V 4.6708 8.2870 125.1042 59.7941 35.0355 174.2150 87 S 4.1489 8.1177 122.9282 58.2618 63.0107 172.8957 88 Q 4.4932 10.0909 129.6998 54.5283 30.6599 175.3621 89 F 4.7742 8.4853 122.6091 58.2327 39.2007 178.2155 90 T 3.9444 6.9015 111.1868 63.8829 68.5518 175.8502 91 L 3.7670 8.0077 121.2910 57.1167 41.6799 177.3649 92 F 4.8048 8.4999 117.0057 57.0605 39.6037 176.4312 93 G 3.9665 9.0021 107.1637 46.5774 0.0000 173.3427 94 N 5.0611 8.2323 118.9425 51.6223 41.9552 174.6195 95 T 4.7819 8.4133 114.6347 61.2925 69.6655 175.0677 96 K 4.0133 8.6125 123.7927 59.1210 32.1960 177.4079 97 K 4.1971 7.9848 119.4853 55.6765 33.0780 177.1830 98 G 3.7670 8.4084 114.8234 46.6191 0.0000 172.1216 99 N 4.6321 8.5356 113.5916 52.6453 38.9362 174.9980 100 K 4.3577 7.5873 119.9956 53.5458 32.7616 173.6738 101 P 4.7008 0.0000 0.0000 61.9738 31.4808 175.9133 102 D 4.4673 7.9651 119.5092 52.8566 42.0657 175.5738 103 F 5.7029 8.3537 125.3440 58.1784 39.1112 177.0506 104 H 4.6298 8.2261 115.9162 56.6409 28.4020 175.5218 105 L 4.6338 7.9206 121.0840 54.5882 43.4421 175.6940 106 A 4.0577 7.8503 119.2409 51.2024 19.8064 177.3142 107 K 3.9476 8.2012 122.8003 56.6287 33.1933 176.2047 108 E 4.3937 8.5169 121.1758 54.5888 30.7495 175.1373 109 P 4.3751 0.0000 0.0000 66.4487 31.3473 178.5930 110 N 4.4755 7.9999 114.0459 56.3139 38.4752 176.6084 111 E 4.3350 8.0644 115.6635 57.1126 30.0556 177.4952 112 A 4.6159 7.9619 121.7991 53.8514 19.9652 178.7522 113 L 3.4497 8.9296 119.2345 58.4746 42.0370 179.2722 114 I 3.7138 7.7993 118.2219 63.8191 37.8904 177.6921 115 F 4.1642 8.3239 121.4390 61.3240 39.2472 175.9280 116 Y 4.5643 9.1055 119.9955 61.2893 38.6444 177.7923 117 N 4.2575 8.6861 117.2481 56.5675 38.6088 177.4385 118 K 4.0625 8.0897 119.5315 59.7197 32.2547 179.3997 119 I 3.6557 7.8629 119.9400 64.0457 37.0303 178.4415 120 I 3.9294 8.0781 121.3107 64.3571 36.7796 178.2512 121 D 4.3393 8.2789 119.7059 57.3687 40.6607 178.0206 122 E 3.9876 7.9960 119.9916 59.7481 29.2913 178.5319 123 F 4.1326 7.7362 115.4462 60.8452 39.1983 177.2646 124 K 4.0501 8.4609 117.5768 59.9117 31.8189 179.1000 125 K 3.9398 8.6395 118.4464 59.5244 32.1750 177.9625 126 Q 4.4130 8.1995 115.8781 57.5883 29.2719 175.0945 127 Y 4.8462 8.0385 120.2295 56.1248 42.2280 173.3499 128 N 4.4957 7.6733 113.4304 52.8888 42.2510 174.6325 129 D 4.3272 8.4887 125.5933 57.8270 41.1853 178.5777 130 D 4.3903 8.3511 117.1545 56.5976 41.0836 177.4566 131 K 4.2285 7.5620 117.8411 56.0485 32.0598 175.6822 132 I 5.0015 7.4521 119.6617 59.6402 40.3480 174.8924 133 K 4.7736 8.8526 126.4740 54.5157 35.6505 175.2511 134 I 5.2980 7.6353 114.9331 57.6575 41.1336 176.0928 135 G 4.0995 8.8371 110.0689 45.3962 0.0000 177.4053 136 K 4.5759 8.6819 123.0791 53.8355 32.5414 171.8047 137 F 3.7990 8.3755 121.7863 58.9139 39.7194 175.8378 138 G 4.2031 9.1392 116.9197 45.2393 0.0000 172.3374 139 N 5.0126 7.7986 116.8927 50.9026 40.6297 174.1030 140 Y 4.0964 8.7559 122.8019 58.9116 39.0354 175.2693 141 M 4.6038 7.7223 125.0723 53.6998 35.9504 175.7765 142 N 4.6367 8.7337 117.9414 52.6166 40.7714 171.2648 143 I 4.6366 7.9101 123.5910 59.3040 38.8128 174.7253 144 D 4.6163 8.9445 128.7431 53.8405 42.0805 175.8598 145 V 4.4558 8.2901 122.9468 61.3075 33.9845 176.1075 146 T 4.3707 8.6494 127.5137 61.8992 66.8019 172.8506 147 N 4.5225 8.2509 119.6435 54.2598 39.6072 174.5413 148 D 4.4186 10.5123 124.5116 53.2276 40.8247 174.8010 149 G 4.0567 8.4992 118.4209 44.7987 0.0000 171.0060 150 P 4.4308 0.0000 0.0000 61.4127 33.3903 176.2776 151 V 4.2889 7.9288 117.6991 62.6303 33.2372 172.3107 152 T 5.7094 8.3156 123.7399 60.9665 70.5882 173.9380 153 I 4.6092 8.3930 126.3662 59.5694 40.5344 173.6981 154 Y 5.2585 8.6155 126.2446 55.9828 41.3001 174.7395 155 I 4.5425 7.4584 125.3412 59.5025 42.0180 173.9171 156 D 4.9268 8.3721 124.8232 52.4753 43.3134 175.8860 157 T 3.6707 9.2821 118.5705 65.0379 68.7925 176.0807 158 H 4.3243 7.8784 117.1955 57.5283 28.6402 175.4921 159 D 4.7575 8.0283 119.0083 54.2462 40.9079 176.2280 160 I 4.3964 7.2454 119.2396 60.4769 41.0821 175.0822 161 N 4.3402 7.9271 119.4659 53.0121 37.8871 174.3329 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 M 8.16 5.13 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.69 4.89 0.00 1.50 1.52 0.00 2.57 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.00 3 V 8.52 5.53 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 0.70 0.00 0.00 1.04 0.00 0.00 4 V 8.74 4.24 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 0.99 0.00 0.00 1.01 0.00 0.00 5 I 9.23 5.13 1.91 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 1.31 0.76 0.98 0.00 0.00 6 Q 8.80 5.01 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 7 R 8.70 4.52 0.00 1.72 1.71 0.00 2.21 0.00 0.00 2.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.04 0.00 8 V 9.08 5.07 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 0.99 0.00 0.00 1.06 0.00 0.00 9 K 8.56 4.67 0.00 1.73 1.84 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.29 7.81 10 G 7.44 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 11 A 7.90 5.30 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 12 I 8.98 4.41 1.87 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 1.11 0.57 0.91 0.00 0.00 13 L 8.28 4.64 0.00 1.68 1.49 0.86 0.68 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 14 S 8.53 5.18 0.00 3.72 3.70 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 15 V 8.16 4.61 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 0.77 0.00 0.00 0.94 0.00 0.00 16 R 8.50 5.08 0.00 1.89 1.91 0.00 3.45 0.00 0.00 2.99 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 *26 E 8.71 4.35 0.00 2.04 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 0.00 2.32 2.36 0.00 27 L 7.63 4.68 0.00 1.70 1.60 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.17 4.60 0.00 1.95 1.76 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 2.20 2.28 0.00 29 I 8.85 4.49 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.23 0.90 0.00 0.00 30 I 8.61 4.63 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.96 0.00 0.00 31 S 7.57 4.64 0.00 3.86 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 32 E 8.58 5.44 0.00 1.94 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 2.10 2.21 0.00 33 I 8.09 4.81 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.81 0.95 0.00 0.00 34 K 8.71 5.12 0.00 1.61 1.64 0.00 1.63 0.00 0.00 1.51 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.42 7.81 35 N 9.05 4.04 0.00 1.44 1.99 0.00 0.00 6.91 7.91 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 36 G 7.38 4.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.51 5.43 0.00 1.71 1.67 1.15 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.47 4.90 1.92 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.25 1.18 0.00 0.00 39 C 8.63 5.31 0.00 2.97 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 40 F 9.47 4.87 0.00 2.94 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 41 L 9.01 4.98 0.00 1.89 1.66 1.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.24 5.06 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 0.00 0.00 0.00 43 I 8.55 4.61 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.63 0.00 0.00 44 H 9.89 3.99 0.00 3.10 3.51 0.00 5.62 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 45 K 7.34 4.01 0.00 1.64 1.53 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.34 7.81 46 N 7.84 4.95 0.00 2.81 2.80 0.00 0.00 6.89 8.06 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 47 D 7.92 4.79 0.00 2.50 2.34 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 48 T 8.53 4.58 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 1.27 0.00 0.00 49 W 9.19 4.22 0.00 3.56 3.25 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 0.00 50 E 7.99 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 2.45 2.55 0.00 51 D 8.83 4.44 0.00 2.82 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 52 A 7.85 3.87 0.51 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 0.00 0.00 0.00 53 L 7.33 3.89 0.00 1.60 1.68 1.13 0.77 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 54 Y 7.93 4.09 0.00 3.04 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.55 3.71 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.75 1.01 0.00 0.00 56 I 7.02 3.12 1.44 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.24 0.15 0.00 0.00 57 R 7.62 3.78 0.00 1.79 1.76 0.00 3.04 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 58 K 7.39 3.82 0.00 1.81 1.70 0.00 1.52 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.04 1.15 7.81 59 C 8.51 4.16 0.00 3.26 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 60 L 8.44 4.32 0.00 1.89 1.70 1.11 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.70 4.40 0.00 2.80 2.77 0.00 0.00 7.02 7.87 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 62 L 8.38 4.14 0.00 1.75 1.61 0.89 0.74 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 63 R 8.49 4.98 0.00 2.00 2.14 0.00 3.14 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 64 L 8.21 4.92 0.00 0.75 1.44 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.02 4.62 0.00 3.63 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.51 4.74 0.00 2.64 2.66 0.00 0.00 6.79 8.00 0.00 0.00 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 N 9.36 4.60 0.00 2.74 2.61 0.00 0.00 7.06 8.23 0.00 0.00 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 D 9.40 4.15 0.00 2.87 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 69 N 9.15 4.42 0.00 2.90 3.00 0.00 0.00 6.97 7.61 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 70 K 7.77 4.63 0.00 1.93 1.65 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 71 T 8.33 4.48 3.79 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 1.10 0.00 0.00 72 W 7.73 4.18 0.00 3.47 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 73 D 8.16 4.67 0.00 2.60 2.62 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 74 K 7.98 4.72 0.00 1.81 1.61 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.45 7.81 75 N 10.13 6.08 0.00 3.03 3.13 0.00 0.00 6.58 7.55 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 76 V 8.72 3.31 2.46 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 0.96 0.00 0.00 1.11 0.00 0.00 77 K 7.33 3.31 0.00 1.71 1.53 0.00 1.35 0.00 0.00 1.37 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 1.21 7.81 78 D 8.75 4.43 0.00 2.54 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 79 L 6.50 4.32 0.00 0.27 0.54 -0.53 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.35 5.07 0.00 2.94 3.05 0.00 0.00 6.96 7.85 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 81 Y 7.71 4.72 0.00 2.62 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.38 4.62 0.00 1.93 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 2.28 2.24 0.00 83 L 8.64 4.80 0.00 1.54 1.32 1.16 0.40 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 84 L 8.92 4.74 0.00 1.72 1.51 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.73 4.82 1.78 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.54 1.10 0.00 0.00 86 V 8.29 4.67 1.51 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 0.93 0.00 0.00 0.68 0.00 0.00 87 S 8.12 4.15 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 88 Q 10.09 4.49 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.44 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 89 F 8.49 4.77 0.00 3.30 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 90 T 6.90 3.94 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 0.24 0.00 0.00 91 L 8.01 3.77 0.00 1.66 1.68 1.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.50 4.80 0.00 3.27 3.19 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 93 G 9.00 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 94 N 8.23 5.06 0.00 2.59 2.61 0.00 0.00 7.01 7.10 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 95 T 8.41 4.78 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 1.15 0.00 0.00 96 K 8.61 4.01 0.00 1.75 1.89 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.35 7.81 97 K 7.98 4.20 0.00 1.65 1.66 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.45 7.81 98 G 8.41 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 99 N 8.54 4.63 0.00 2.70 2.83 0.00 0.00 6.54 7.61 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 0.00 100 K 7.59 4.36 0.00 1.67 1.69 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.45 7.81 101 P 0.00 4.70 0.00 1.51 1.69 0.00 3.74 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 102 D 7.97 4.47 0.00 2.47 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 0.00 0.00 0.00 0.00 103 F 8.35 5.70 0.00 3.33 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 0.00 104 H 8.23 4.63 0.00 3.18 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.92 4.63 0.00 1.74 1.67 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.85 4.06 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 0.00 107 K 8.20 3.95 0.00 1.59 1.65 0.00 1.40 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.29 7.81 108 E 8.52 4.39 0.00 2.13 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 2.41 2.30 0.00 109 P 0.00 4.38 0.00 2.15 2.23 0.00 3.55 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 2.06 2.11 0.00 110 N 8.00 4.48 0.00 2.70 2.82 0.00 0.00 7.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.06 4.34 0.00 1.95 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 2.31 2.36 0.00 112 A 7.96 4.62 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 0.00 113 L 8.93 3.45 0.00 0.52 1.52 0.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.80 3.71 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.12 1.02 0.00 0.00 115 F 8.32 4.16 0.00 3.52 3.40 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 0.00 116 Y 9.11 4.56 0.00 3.55 3.46 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 0.00 117 N 8.69 4.26 0.00 2.80 2.87 0.00 0.00 7.14 8.25 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 0.00 118 K 8.09 4.06 0.00 2.10 2.43 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.56 7.81 119 I 7.86 3.66 2.10 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.98 0.86 0.00 0.00 120 I 8.08 3.93 1.89 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.23 0.83 0.00 0.00 121 D 8.28 4.34 0.00 3.02 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 0.00 122 E 8.00 3.99 0.00 2.26 1.87 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 2.49 2.39 0.00 123 F 7.74 4.13 0.00 3.31 3.07 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 0.00 0.00 0.00 0.00 124 K 8.46 4.05 0.00 2.04 1.91 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.83 7.81 125 K 8.64 3.94 0.00 1.75 2.04 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.52 7.81 126 Q 8.20 4.41 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 127 Y 8.04 4.85 0.00 2.91 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 0.00 128 N 7.67 4.50 0.00 2.64 2.17 0.00 0.00 6.54 8.49 0.00 0.00 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 D 8.49 4.33 0.00 2.76 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 0.00 130 D 8.35 4.39 0.00 2.77 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 0.00 131 K 7.56 4.23 0.00 1.03 1.33 0.00 1.80 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.96 0.31 7.81 132 I 7.45 5.00 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.58 0.73 0.00 0.00 133 K 8.85 4.77 0.00 1.68 1.63 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.35 7.81 134 I 7.64 5.30 2.01 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 1.28 2.12 0.79 0.00 0.00 135 G 8.84 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 0.00 136 K 8.68 4.58 0.00 1.79 1.67 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.49 7.81 137 F 8.38 3.80 0.00 3.26 2.98 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 0.00 138 G 9.14 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 0.00 139 N 7.80 5.01 0.00 2.93 2.80 0.00 0.00 6.85 7.07 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 0.00 140 Y 8.76 4.10 0.00 2.92 2.97 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 0.00 141 M 7.72 4.60 0.00 1.74 1.76 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 142 N 8.73 4.64 0.00 2.66 2.57 0.00 0.00 7.57 7.42 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 0.00 143 I 7.91 4.64 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.90 0.00 0.00 144 D 8.94 4.62 0.00 2.60 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 0.00 145 V 8.29 4.46 2.14 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 0.89 0.00 0.00 1.06 0.00 0.00 146 T 8.65 4.37 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 1.23 0.00 0.00 147 N 8.25 4.52 0.00 2.62 2.81 0.00 0.00 6.99 8.06 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 0.00 148 D 10.51 4.42 0.00 2.68 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 0.00 149 G 8.50 4.06 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 0.00 0.00 0.00 150 P 0.00 4.43 0.00 2.20 2.11 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 151 V 7.93 4.29 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 1.13 0.00 0.00 0.98 0.00 0.00 152 T 8.32 5.71 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 153 I 8.39 4.61 1.87 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 1.15 0.57 0.90 0.00 0.00 154 Y 8.62 5.26 0.00 2.85 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 0.00 155 I 7.46 4.54 1.78 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 1.11 0.59 0.97 0.00 0.00 156 D 8.37 4.93 0.00 2.52 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 0.00 157 T 9.28 3.67 4.27 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 1.30 0.00 0.00 158 H 7.88 4.32 0.00 3.31 3.37 0.00 5.64 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 0.00 159 D 8.03 4.76 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.25 4.40 1.50 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.67 0.00 0.00 161 N 7.93 4.34 0.00 2.67 2.93 0.00 0.00 6.82 7.56 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 * Residues marked with a * may have inaccurate shift predictions.