NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.6190 8.3144 120.1408 56.9991 34.4138 174.7000 3 K 4.4148 8.3618 123.0274 54.6526 35.8171 173.7455 4 I 4.3239 9.3586 129.9058 61.5773 38.3825 174.7948 5 I 4.4492 8.5385 127.9334 59.8831 38.4157 174.8934 6 E 4.9783 8.6917 127.0639 54.7659 32.4779 174.6444 7 T 4.6726 9.4045 120.0898 60.9165 70.6293 173.6997 8 Q 4.2110 8.6439 125.7589 57.5784 29.1185 176.8946 9 R 4.2698 7.9596 115.9072 56.2697 30.5145 175.7786 10 A 4.9999 7.4348 119.8064 49.1072 22.2311 174.1896 11 P 4.4113 0.0000 0.0000 62.1738 31.9854 177.2140 12 G 3.7387 8.4051 109.6578 45.0089 0.0000 173.3074 13 A 3.7666 8.2520 123.4037 52.2591 18.5678 177.7782 14 I 4.1916 8.7070 115.6604 60.6958 38.1667 175.2402 15 G 4.1514 6.6503 108.9014 44.3562 0.0000 172.5064 16 P 4.5372 0.0000 0.0000 61.7280 28.9095 174.4956 17 Y 4.8583 6.9927 122.2201 56.9046 41.1715 175.1349 18 V 4.5370 8.0892 113.1852 59.4733 34.4691 176.3303 19 Q 4.3531 8.7705 120.7971 59.1999 29.6600 176.5709 20 G 4.5812 7.8334 103.4496 45.2976 0.0000 171.9932 21 V 5.0347 9.0289 119.6435 60.9354 35.3518 173.5671 22 D 5.2216 9.5198 127.3150 52.7300 42.9338 176.1339 23 L 4.5225 9.2380 126.0686 54.6582 42.0077 177.3523 24 G 4.4370 8.9099 116.5150 45.3671 0.0000 175.2836 25 S 4.4926 7.8216 114.2394 59.4526 64.9589 172.8730 26 M 5.1730 7.8731 119.3648 53.8467 35.9614 173.4633 27 V 4.9611 8.9496 125.1502 61.1656 34.6535 173.9702 28 F 5.3016 9.2604 126.4720 56.0025 41.3434 174.9184 29 T 5.0405 8.5417 113.5458 60.0275 70.8179 174.7318 30 S 4.3262 8.8242 119.7157 58.1409 63.9135 174.4482 31 G 3.8674 8.3387 109.1732 46.2750 0.0000 172.8555 32 Q 4.7979 9.3678 125.3392 54.4497 30.4515 175.1912 33 I 4.7047 8.2916 117.8313 57.7734 40.1548 174.4336 34 P 4.6469 0.0000 0.0000 62.1495 30.8304 174.5202 35 V 4.7050 7.2533 124.9235 62.0511 31.1089 174.9258 *37 P 4.4238 0.0000 0.0000 62.1871 32.9160 177.5033 38 Q 4.3352 8.0947 116.7368 56.8796 29.3394 176.2169 39 T 4.3770 7.7244 105.2256 60.1647 70.6383 175.0588 40 G 3.8865 8.3723 108.6244 45.8420 0.0000 172.6971 41 E 4.6886 7.9260 118.9219 54.2989 32.0885 174.8665 42 I 4.7911 8.1751 120.4463 57.8393 39.1628 174.3167 43 P 4.3978 0.0000 0.0000 62.4137 31.9508 176.5151 44 A 4.0826 8.5157 123.8351 54.9706 18.8559 178.3946 45 D 4.5972 7.9219 115.4082 53.7155 43.1087 177.5391 46 V 3.6376 8.4036 126.4330 64.9280 31.4355 178.6869 47 Q 3.9889 8.6477 119.0623 58.9938 28.5459 178.3942 48 D 4.3838 8.1782 119.3848 57.3875 40.8431 178.6802 49 Q 3.9631 8.3653 118.4882 58.8211 28.7717 178.6302 50 A 3.9698 8.3683 122.1488 55.2989 18.3763 179.6707 51 R 3.7312 8.0060 117.1371 59.4297 30.0444 178.5180 52 L 4.0691 8.1128 120.2569 58.1649 42.0551 179.0018 53 S 4.0838 8.3454 115.5296 61.6502 62.7621 176.7433 54 L 3.5558 7.5933 121.4463 57.6288 41.0627 179.4405 55 E 4.1101 8.2452 118.8013 59.3735 29.1700 179.2013 56 N 4.3168 8.4079 116.9396 56.1193 38.6037 177.5173 57 V 3.6045 7.8529 119.6961 65.8960 31.6603 177.6408 58 K 3.8313 8.4131 119.4973 59.7725 31.9845 178.1660 59 A 4.0459 8.2347 120.8686 55.4599 18.1139 179.7726 60 I 3.7400 7.5478 118.0982 64.4447 37.2328 178.8427 61 V 3.6082 7.9456 119.1905 65.9910 31.2876 178.2839 62 V 4.0930 8.6464 119.5744 65.4676 31.1499 177.8976 63 A 4.0505 8.0471 119.3806 54.6321 18.2839 178.5865 64 A 4.2893 7.5327 117.3517 52.4496 18.7634 178.2885 65 G 3.7969 8.2375 105.9678 45.4321 0.0000 173.4306 66 L 4.6901 7.7092 120.7532 52.7704 44.1016 174.9951 67 S 5.0293 8.9721 113.4234 56.1365 66.2335 175.0549 68 V 3.4744 8.4004 119.8871 66.1308 30.9888 177.9215 69 G 3.8226 7.5091 106.4304 47.4364 0.0000 173.6048 70 D 4.6326 8.1940 119.5297 54.6074 41.5340 176.3456 71 I 4.3143 7.7837 121.9629 61.1920 37.6204 175.6122 72 I 4.5218 8.8605 117.8959 60.5878 39.9800 175.1110 73 K 5.1440 7.6480 123.5984 55.3405 35.7697 174.3745 74 M 5.4041 9.2362 125.5704 53.8951 36.8221 174.2411 75 T 4.7830 8.5539 117.5983 61.7047 72.0834 173.3305 76 V 4.3998 8.5907 126.8671 61.2032 33.4597 173.9339 77 F 5.2801 8.8326 128.1142 56.5133 40.4283 175.3806 78 I 5.3172 8.9766 116.6018 59.5975 41.1327 175.7691 79 T 4.5763 8.6929 111.5969 62.0418 70.6121 174.0664 80 D 4.7527 7.8105 122.6808 52.1444 42.6579 175.2730 81 L 4.1861 9.4050 128.8937 57.0869 41.3082 179.0129 82 N 4.4609 8.4737 116.1786 55.7771 38.6612 176.0109 83 D 4.6271 8.4441 119.5884 54.9086 41.0465 177.8764 84 F 4.2158 8.2829 122.6040 61.4784 39.4025 176.8181 85 A 3.8424 8.0632 119.6983 55.3076 18.3676 179.6532 86 T 3.7945 7.7785 113.7137 66.8354 68.6001 176.7150 87 I 3.7097 7.9829 122.0574 64.6786 37.1570 178.2026 88 N 4.0309 8.2428 117.4844 56.1054 38.2648 177.0822 89 E 3.9284 8.1561 120.7391 59.2815 29.7398 179.1112 90 V 3.6623 7.7368 117.9592 66.0405 31.6794 177.4546 91 Y 4.0973 8.4239 119.7025 60.4909 38.6090 177.6675 92 K 3.9869 8.7421 121.0384 59.6949 32.2799 178.4161 93 Q 4.0308 8.3130 119.7590 59.1513 28.7003 177.8975 94 F 4.0153 8.4524 121.6260 61.5491 39.4107 177.2280 95 F 3.7477 8.3849 117.0182 60.4474 38.7740 177.4697 96 D 4.4744 8.8099 119.0504 57.5537 40.4201 178.7033 97 E 3.9668 8.4243 118.4058 58.9331 29.4097 178.1151 98 H 4.5510 7.1796 113.1512 54.2043 29.2838 174.6647 99 Q 3.3588 7.8006 118.2945 56.9076 26.8566 173.3409 100 A 4.7717 7.7379 118.8315 50.1734 21.1891 177.9013 101 T 3.7133 8.2854 118.8378 63.4729 69.1448 174.0639 102 Y 3.9771 7.4996 123.2329 57.4359 38.4087 174.3714 103 P 4.6648 0.0000 0.0000 62.0916 32.2683 175.9797 104 T 4.2174 8.5683 111.2189 62.3471 69.9687 173.4744 105 R 5.4477 8.0626 120.9313 55.7382 33.3555 174.0204 106 S 4.8552 8.5458 119.4348 56.8790 67.0746 172.5427 107 C 5.5836 8.3267 121.9137 57.1143 34.2219 173.4084 108 V 4.5228 8.2036 117.7725 59.7383 36.3099 173.9913 109 Q 4.8155 8.6289 124.7943 55.3536 29.5852 175.7481 110 V 4.1907 8.5736 121.0173 60.1585 33.1913 176.6097 111 A 4.1363 8.5725 123.7608 55.1453 18.5137 177.8665 112 R 4.6281 7.3631 111.9477 55.3309 33.1345 173.5689 113 L 4.8585 8.0363 121.5797 51.6912 45.5158 174.2914 114 P 4.3754 0.0000 0.0000 64.5919 31.6242 176.8860 115 K 3.9524 9.3784 119.1693 56.9244 29.6391 174.9590 116 D 4.4336 8.2244 115.6357 55.3421 38.7248 174.6386 117 V 3.9363 7.3515 111.6055 61.5112 32.2921 176.4208 118 K 4.5184 9.6029 119.9454 56.8268 33.1255 176.6512 119 L 5.1387 7.6075 118.0902 54.7129 43.3549 174.4013 120 E 4.9664 9.5237 120.8790 54.7909 33.5815 173.9943 121 I 5.0400 8.9331 126.9713 59.4977 40.8708 174.2892 122 E 5.1212 9.0564 124.4938 54.6244 32.6804 174.7752 123 A 5.2773 8.7311 121.5777 50.3885 23.4186 174.8852 124 I 4.6662 8.7818 120.1427 59.3093 40.4322 174.8067 125 A 5.2197 8.8915 128.2093 50.1498 22.3381 175.2498 126 V 4.5742 8.4686 112.6096 59.9446 34.4688 175.7061 127 R 4.2457 8.8782 124.3641 57.7990 30.1802 176.6078 128 S 4.1763 7.5879 118.6624 58.9964 63.9112 174.2460 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.31 4.62 0.00 1.80 1.91 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.46 7.81 3 K 8.36 4.41 0.00 1.83 1.79 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.50 7.81 4 I 9.36 4.32 1.89 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 1.37 0.67 0.94 0.00 0.00 5 I 8.54 4.45 1.92 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 1.15 0.58 1.00 0.00 0.00 6 E 8.69 4.98 0.00 1.93 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 2.18 2.28 0.00 7 T 9.40 4.67 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 1.26 0.00 0.00 8 Q 8.64 4.21 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 9 R 7.96 4.27 0.00 1.83 1.98 0.00 3.10 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 10 A 7.43 5.00 1.27 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 0.00 0.00 11 P 0.00 4.41 0.00 2.10 2.03 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.31 0.00 12 G 8.41 3.74 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 0.00 0.00 0.00 13 A 8.25 3.77 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 14 I 8.71 4.19 1.92 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 1.50 0.88 0.97 0.00 0.00 15 G 6.65 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 16 P 0.00 4.54 0.00 2.21 2.09 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 17 Y 6.99 4.86 0.00 2.99 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 18 V 8.09 4.54 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 0.79 0.00 0.00 1.00 0.00 0.00 19 Q 8.77 4.35 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 20 G 7.83 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.03 5.03 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 1.03 0.00 0.00 0.97 0.00 0.00 22 D 9.52 5.22 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.24 4.52 0.00 1.79 1.75 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.91 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 25 S 7.82 4.49 0.00 3.93 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 0.00 26 M 7.87 5.17 0.00 2.15 1.88 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.09 0.00 27 V 8.95 4.96 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 1.05 0.00 0.00 1.00 0.00 0.00 28 F 9.26 5.30 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.54 5.04 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 1.25 0.00 0.00 30 S 8.82 4.33 0.00 3.75 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 31 G 8.34 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 0.00 0.00 0.00 32 Q 9.37 4.80 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 33 I 8.29 4.70 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.93 0.00 0.00 34 P 0.00 4.65 0.00 2.25 2.47 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 35 V 7.25 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 0.89 0.00 0.00 0.95 0.00 0.00 *37 P 0.00 4.42 0.00 2.25 2.11 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.15 0.00 38 Q 8.09 4.34 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 39 T 7.72 4.38 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 40 G 8.37 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 41 E 7.93 4.69 0.00 2.05 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 2.23 2.24 0.00 42 I 8.18 4.79 1.88 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 1.24 1.58 0.95 0.00 0.00 43 P 0.00 4.40 0.00 2.18 2.06 0.00 3.97 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 1.99 1.96 0.00 44 A 8.52 4.08 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 45 D 7.92 4.60 0.00 2.73 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 46 V 8.40 3.64 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 0.97 0.00 0.00 0.95 0.00 0.00 47 Q 8.65 3.99 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 48 D 8.18 4.38 0.00 2.85 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 49 Q 8.37 3.96 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 50 A 8.37 3.97 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 51 R 8.01 3.73 0.00 1.96 1.93 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 52 L 8.11 4.07 0.00 1.87 1.80 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.35 4.08 0.00 3.98 3.88 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 54 L 7.59 3.56 0.00 1.03 0.13 0.55 0.42 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 55 E 8.25 4.11 0.00 2.11 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 2.44 2.53 0.00 56 N 8.41 4.32 0.00 2.87 3.07 0.00 0.00 6.61 8.38 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 57 V 7.85 3.60 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 1.01 0.00 0.00 0.95 0.00 0.00 58 K 8.41 3.83 0.00 2.12 2.09 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.47 7.81 59 A 8.23 4.05 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 60 I 7.55 3.74 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 1.45 0.94 1.01 0.00 0.00 61 V 7.95 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 62 V 8.65 4.09 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 1.38 0.00 0.00 0.95 0.00 0.00 63 A 8.05 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 64 A 7.53 4.29 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 65 G 8.24 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.71 4.69 0.00 1.87 1.77 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.97 5.03 0.00 3.87 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 68 V 8.40 3.47 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.40 0.00 0.00 69 G 7.51 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 70 D 8.19 4.63 0.00 2.85 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 71 I 7.78 4.31 2.23 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 1.09 0.00 0.00 72 I 8.86 4.52 1.85 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 1.07 0.83 0.95 0.00 0.00 73 K 7.65 5.14 0.00 1.83 1.58 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.36 7.81 74 M 9.24 5.40 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 75 T 8.55 4.78 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 0.35 0.00 0.00 76 V 8.59 4.40 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 0.99 0.00 0.00 0.95 0.00 0.00 77 F 8.83 5.28 0.00 3.05 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 78 I 8.98 5.32 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.26 0.98 0.00 0.00 79 T 8.69 4.58 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 1.29 0.00 0.00 80 D 7.81 4.75 0.00 2.66 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 81 L 9.40 4.19 0.00 1.74 1.59 0.78 0.05 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 82 N 8.47 4.46 0.00 2.84 2.91 0.00 0.00 7.00 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.44 4.63 0.00 2.86 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 84 F 8.28 4.22 0.00 3.14 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 85 A 8.06 3.84 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 86 T 7.78 3.79 4.39 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 1.22 0.00 0.00 87 I 7.98 3.71 1.94 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 1.54 0.84 0.89 0.00 0.00 88 N 8.24 4.03 0.00 2.52 2.53 0.00 0.00 6.69 7.23 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 89 E 8.16 3.93 0.00 2.17 2.04 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 2.31 2.37 0.00 90 V 7.74 3.66 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 0.95 0.00 0.00 91 Y 8.42 4.10 0.00 3.13 3.02 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 92 K 8.74 3.99 0.00 1.77 1.99 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.71 1.41 7.81 93 Q 8.31 4.03 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 94 F 8.45 4.02 0.00 3.20 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 95 F 8.38 3.75 0.00 3.54 3.51 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 96 D 8.81 4.47 0.00 2.95 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 97 E 8.42 3.97 0.00 1.84 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.60 0.00 98 H 7.18 4.55 0.00 2.86 3.14 0.00 6.00 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.80 3.36 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 100 A 7.74 4.77 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 0.00 101 T 8.29 3.71 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 1.12 0.00 0.00 102 Y 7.50 3.98 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.66 0.00 1.91 1.94 0.00 3.09 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 104 T 8.57 4.22 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 1.20 0.00 0.00 105 R 8.06 5.45 0.00 1.74 1.68 0.00 2.51 0.00 0.00 3.44 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 106 S 8.55 4.86 0.00 3.65 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 0.00 107 C 8.33 5.58 0.00 2.92 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 0.00 108 V 8.20 4.52 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 0.65 0.00 0.00 1.08 0.00 0.00 109 Q 8.63 4.82 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 110 V 8.57 4.19 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 0.79 0.00 0.00 1.03 0.00 0.00 111 A 8.57 4.14 1.27 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 0.00 0.00 112 R 7.36 4.63 0.00 1.73 1.74 0.00 3.17 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 113 L 8.04 4.86 0.00 1.87 1.49 1.04 1.04 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 0.00 114 P 0.00 4.38 0.00 2.18 2.01 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 115 K 9.38 3.95 0.00 1.91 1.89 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.46 7.81 116 D 8.22 4.43 0.00 2.84 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 0.00 117 V 7.35 3.94 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 0.68 0.00 0.00 1.04 0.00 0.00 118 K 9.60 4.52 0.00 1.81 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.23 7.81 119 L 7.61 5.14 0.00 1.79 1.63 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.52 4.97 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 121 I 8.93 5.04 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.98 0.00 0.00 122 E 9.06 5.12 0.00 2.13 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 2.29 2.28 0.00 123 A 8.73 5.28 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 0.00 124 I 8.78 4.67 1.69 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 0.59 0.63 0.40 0.00 0.00 125 A 8.89 5.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.47 4.57 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.96 0.00 0.00 127 R 8.88 4.25 0.00 1.82 1.99 0.00 3.49 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 128 S 7.59 4.18 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.