NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4775 8.3049 120.3329 55.0251 33.3895 176.2928 2 K 4.1473 8.8292 120.6064 55.7375 34.5751 177.0805 3 T 4.3723 8.0272 121.3508 63.5933 67.6352 174.5727 4 F 4.1618 9.0078 112.2897 56.7722 37.4989 173.8936 5 T 3.6665 7.4904 114.3334 59.3492 68.7810 173.8069 6 A 4.3007 7.2707 131.6657 52.2990 19.0244 177.4271 7 K 4.4019 8.2812 118.7610 54.7589 32.2049 175.8546 8 P 3.4976 0.0000 0.0000 62.9367 33.0516 175.5262 9 E 5.0074 8.6401 118.1726 57.2008 32.2510 177.3885 10 T 3.0431 7.3031 110.5625 63.6308 69.4505 172.9006 11 V 5.3204 7.2606 131.8148 62.4570 31.4867 170.5122 12 K 4.4400 7.2958 120.8496 55.2583 35.0679 175.0513 13 R 4.5022 7.7978 122.4461 55.7449 34.3045 172.3714 14 D 3.7314 7.4664 116.4571 54.8817 43.3534 176.7061 15 W 5.1297 9.1064 119.6268 58.7243 29.3034 173.9825 16 Y 4.4317 9.0799 119.4349 59.4549 38.8373 175.1902 17 V 4.9434 8.1377 118.4937 62.1547 34.8109 173.1914 18 V 4.5922 9.2296 127.4712 61.2915 34.4809 175.2417 19 D 4.2013 9.0200 127.6883 57.0772 39.5940 177.3996 20 A 4.2056 8.3707 126.8704 52.6897 16.8917 180.5193 21 T 3.9176 7.3216 103.8010 64.2971 70.1159 174.1427 22 G 3.7890 7.4390 111.7787 45.0821 0.0000 173.7405 23 K 4.2455 8.6299 126.7205 57.4610 30.5116 175.9384 24 T 4.2264 7.7670 113.3131 61.4958 70.8723 176.5930 25 L 3.2064 9.0068 117.0140 57.7566 40.3352 174.0255 26 G 4.0887 8.8926 113.0905 47.4437 0.0000 175.4639 27 R 4.1287 7.8498 118.5387 58.5345 30.4504 178.9765 28 L 3.7855 8.1171 118.4149 58.0014 42.6525 177.4249 29 A 4.1273 8.6288 122.3784 55.6600 17.9560 178.7487 30 T 3.6849 6.8915 102.6783 66.7841 68.3630 174.6548 31 E 4.1771 8.2167 118.2407 56.7527 29.9191 177.5531 32 L 4.3861 7.8193 120.0431 55.4906 42.6324 176.3559 33 A 4.5519 7.4395 119.5361 54.0078 21.5312 178.1348 34 R 3.7970 9.0492 117.2364 59.5485 30.1391 178.2270 35 R 4.0466 7.4225 114.2795 57.6662 30.1965 176.5384 36 L 5.1382 8.1090 116.4483 55.3373 41.9409 176.6846 37 R 4.1622 7.7782 115.8474 54.7897 32.3194 175.9219 38 G 4.7958 8.0395 125.9236 45.1925 0.0000 171.9717 39 K 3.9027 8.9144 132.1766 57.1684 30.8074 177.3741 40 H 3.8128 10.2770 114.6926 59.5242 30.4435 174.8184 41 K 4.1414 7.8811 114.3949 58.1296 29.3441 173.4833 42 A 4.5037 8.2380 129.6454 53.0568 20.8988 176.0997 43 E 4.4625 8.2826 116.1623 57.3818 31.9650 176.0686 44 Y 3.6957 8.2283 120.3249 56.7503 37.6464 173.3267 45 T 3.3519 9.1239 116.5416 61.3724 68.1578 168.1520 46 P 4.2527 0.0000 0.0000 63.1238 30.2269 174.3661 47 H 4.6335 7.9793 120.2812 55.2430 31.1954 175.1025 48 V 4.4984 7.8213 113.2240 59.2004 34.2147 176.4088 49 D 4.6892 8.2663 120.6531 54.5646 40.7257 174.1085 50 T 3.3041 8.7506 113.7429 64.1077 64.6353 172.5044 51 G 4.2479 8.3712 108.7531 45.2361 0.0000 168.9536 52 D 4.2878 8.3700 120.2222 53.9189 39.2728 172.2853 53 Y 4.4367 8.4524 121.1659 58.4136 38.8154 175.8676 54 I 4.8690 7.8857 120.0817 60.3268 42.2436 174.9418 55 I 4.9274 8.1124 123.7302 59.0324 40.6922 175.3482 56 V 5.1888 8.0074 126.0346 61.7248 32.6923 174.7221 57 L 4.7062 8.0341 122.9871 53.1986 45.1515 178.4549 58 N 4.2674 10.6059 111.8727 50.6421 39.4926 175.8317 59 A 4.2280 7.8964 123.4176 51.9033 18.1236 180.2133 60 D 4.7640 8.1950 115.7702 52.2511 38.3660 177.5192 61 K 4.2564 9.1758 120.5038 57.9357 34.6065 176.5355 62 V 4.3888 8.3573 117.0866 60.6282 33.7127 175.8062 63 A 3.5742 7.7773 127.0252 52.8571 19.6771 174.5013 64 V 3.1756 7.3581 124.1466 64.2094 33.4383 173.1921 65 T 3.6167 7.4093 115.1368 61.6685 73.2862 173.8564 66 G 3.6912 9.0910 111.8460 45.7669 0.0000 173.0299 67 N 4.4852 9.3965 125.7086 55.6952 40.6204 176.4688 68 K 4.1277 7.7086 117.6395 59.6539 32.4390 178.2118 69 R 3.9189 8.2750 118.5437 59.5379 29.9559 177.9362 70 T 4.2547 8.0440 112.9985 64.7934 69.2852 175.0090 71 D 4.7346 7.9036 118.5346 56.0957 42.7444 176.2411 72 K 4.1611 7.7603 119.3881 55.2314 33.1484 175.0803 73 V 5.5950 8.0375 125.1309 59.6074 34.4505 174.2733 74 Y 3.9912 7.9089 115.8568 58.5109 40.5539 173.1055 75 Y 3.8047 7.0031 119.7375 57.7343 36.4839 169.1336 76 H 4.4645 9.0866 121.0920 57.5490 29.8696 172.0269 77 H 3.9431 8.2814 125.9297 55.8716 30.4057 174.1391 78 T 4.1831 8.2807 116.0803 61.3041 69.5632 177.0155 79 G 4.0319 7.7778 108.0617 46.5769 0.0000 174.1747 80 H 4.3809 8.3582 117.9546 60.7430 29.8739 179.4986 81 I 2.6182 8.9736 117.1196 60.4088 40.1035 174.4660 82 G 4.1355 10.4517 103.9775 45.3828 0.0000 172.8173 83 G 3.9633 7.5432 109.5457 45.9982 0.0000 175.2172 84 I 4.3875 7.3216 135.0000 60.8634 35.9631 175.4799 85 K 4.2834 9.1231 135.0000 57.5319 32.4485 175.9112 86 Q 4.6877 8.3477 123.2843 53.4613 29.7937 173.5335 87 A 4.2325 8.4146 123.6708 52.4071 19.8439 177.0395 88 T 4.5252 7.7267 108.8881 60.7290 72.0808 173.6464 89 F 4.7850 9.2976 123.6482 56.9613 40.1294 176.3080 90 E 3.8758 8.9312 122.7633 59.6553 29.6316 178.0262 91 E 3.9914 8.3373 119.5109 60.0521 29.4225 178.8380 92 M 4.0334 7.9291 116.0894 58.1442 32.8430 177.0799 93 I 3.8930 7.9125 116.2989 61.2053 38.7811 175.7650 94 A 4.5525 7.4423 121.8438 51.9340 16.0547 177.4749 95 R 4.4555 7.5311 120.3235 55.2278 33.2738 174.6344 96 R 4.6732 7.5080 116.6539 55.0415 29.9712 174.0190 97 P 5.0291 0.0000 0.0000 63.5377 30.7379 178.0823 98 E 4.0247 8.3352 119.3488 59.5546 29.3169 178.5133 99 R 3.6109 8.0601 118.5423 59.4428 30.4535 176.1965 100 V 3.8265 7.3194 117.7309 63.2122 31.7859 174.5601 101 I 3.5838 8.3798 124.0582 62.7717 34.1928 175.8778 102 E 4.1152 7.8063 118.3487 59.3780 29.2110 179.8466 103 I 3.9119 8.1810 119.8966 64.0780 37.2485 177.7064 104 A 4.4072 7.7937 116.9065 52.7322 18.1613 177.6338 105 V 4.1416 8.0237 120.2316 64.7362 33.5228 177.5439 106 K 3.8088 7.4903 119.0034 58.0594 31.8634 176.9127 107 G 3.8942 7.7585 104.9303 46.6214 0.0000 173.8762 108 M 4.4896 8.2412 119.7712 54.7437 32.0616 175.6839 109 L 4.6506 7.6577 118.2214 54.5041 43.6153 176.7163 110 P 3.7974 0.0000 0.0000 65.0353 31.9176 173.7078 111 K 3.7729 8.2602 121.7324 56.7783 32.6588 176.3649 112 G 3.8295 8.4457 107.5830 43.8187 0.0000 170.4796 113 P 4.4719 0.0000 0.0000 63.0045 32.1177 176.0144 114 L 3.6280 8.8237 121.8856 56.0309 41.4453 175.1639 115 G 3.9749 9.0409 111.2925 47.8339 0.0000 174.5887 116 R 3.8453 8.4826 120.8286 58.0042 28.7831 177.9164 117 A 4.5071 9.0459 114.7870 52.8918 18.6179 178.9338 118 M 4.4629 8.3958 119.0238 57.0242 33.1090 176.2597 119 F 4.8270 7.8819 111.6886 57.9133 40.2738 177.2159 120 R 3.1647 7.6247 120.8216 58.2823 30.2385 177.2438 121 K 4.0426 7.3644 116.3163 57.0167 31.6103 178.1946 122 L 4.2191 7.4939 117.8440 55.1611 43.6905 173.7543 123 K 3.7620 7.5518 122.9322 55.8217 31.4811 174.7411 124 V 4.0850 6.4498 118.5941 59.2174 34.5658 174.3060 125 Y 3.7528 7.3219 118.0132 57.5190 38.0324 169.9768 126 A 5.0010 8.2610 121.2858 51.6741 20.4832 177.3610 127 G 4.0130 8.4040 103.2105 49.9188 0.0000 173.0800 128 N 3.5635 8.8490 113.6091 53.8813 40.1383 177.0578 129 E 3.7088 7.0191 121.8597 57.7408 25.5839 175.5246 130 H 4.6506 7.5689 115.0467 55.3461 32.7663 173.0859 131 N 4.1993 8.7849 119.0427 54.3917 36.2376 175.2548 132 H 3.7249 8.3162 113.7808 57.2739 29.4504 176.8221 133 A 3.9005 8.9881 122.0942 54.7282 19.5091 180.2406 134 A 3.8187 7.1921 116.6712 52.5412 18.6531 177.0585 135 Q 4.6682 8.4189 119.7948 59.7066 29.2500 178.1657 136 Q 3.7300 8.6952 118.4348 59.0580 29.8988 177.8890 137 P 4.2483 0.0000 0.0000 65.3050 31.7298 176.4640 138 Q 4.3531 9.0279 118.4808 54.5984 30.3213 174.8284 139 V 4.1754 7.7606 115.6580 61.2148 32.6013 176.3658 140 L 4.2129 8.0371 120.8748 56.2450 43.3760 176.3204 *141 D 4.4530 8.1513 121.3646 53.1536 40.4476 178.7960 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 8.30 4.48 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 2 K 8.83 4.15 0.00 1.83 1.76 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.43 7.81 3 T 8.03 4.37 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 1.27 0.00 0.00 4 F 9.01 4.16 0.00 3.41 3.18 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 5 T 7.49 3.67 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 1.09 0.00 0.00 6 A 7.27 4.30 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 7 K 8.28 4.40 0.00 1.76 2.00 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.37 7.81 8 P 0.00 3.50 0.00 2.24 1.91 0.00 3.66 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 1.95 2.09 0.00 9 E 8.64 5.01 0.00 2.02 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 2.02 2.20 0.00 10 T 7.30 3.04 4.08 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 0.87 0.00 0.00 11 V 7.26 5.32 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 0.69 0.00 0.00 0.88 0.00 0.00 12 K 7.30 4.44 0.00 1.87 1.51 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.18 1.31 7.81 13 R 7.80 4.50 0.00 1.42 1.28 0.00 3.05 0.00 0.00 2.96 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 14 D 7.47 3.73 0.00 2.72 2.87 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 15 W 9.11 5.13 0.00 3.64 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 9.08 4.43 0.00 3.03 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 17 V 8.14 4.94 2.24 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 0.76 0.00 0.00 1.11 0.00 0.00 18 V 9.23 4.59 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.03 0.00 0.00 19 D 9.02 4.20 0.00 2.82 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 20 A 8.37 4.21 1.53 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 0.00 0.00 21 T 7.32 3.92 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 1.33 0.00 0.00 22 G 7.44 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 0.00 0.00 0.00 0.00 23 K 8.63 4.25 0.00 1.86 1.95 0.00 1.45 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.51 7.81 24 T 7.77 4.23 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 25 L 9.01 3.21 0.00 1.86 1.89 1.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.89 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.85 4.13 0.00 2.10 2.03 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 28 L 8.12 3.79 0.00 1.62 1.72 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.63 4.13 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 30 T 6.89 3.68 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 1.26 0.00 0.00 31 E 8.22 4.18 0.00 2.09 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 2.41 2.43 0.00 32 L 7.82 4.39 0.00 1.88 1.79 0.95 0.86 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 33 A 7.44 4.55 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 34 R 9.05 3.80 0.00 1.81 1.92 0.00 3.31 0.00 0.00 3.04 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 35 R 7.42 4.05 0.00 1.96 1.95 0.00 3.31 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.00 36 L 8.11 5.14 0.00 1.83 1.69 0.99 0.98 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 37 R 7.78 4.16 0.00 1.81 1.78 0.00 3.32 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.45 0.00 38 G 8.04 4.80 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 39 K 8.91 3.90 0.00 1.71 1.53 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.51 7.81 40 H 10.28 3.81 0.00 3.15 3.40 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.88 4.14 0.00 1.83 2.37 0.00 1.81 0.00 0.00 1.47 0.00 0.00 2.60 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.48 7.81 42 A 8.24 4.50 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 43 E 8.28 4.46 0.00 2.02 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 2.06 2.11 0.00 44 Y 8.23 3.70 0.00 2.94 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 45 T 9.12 3.35 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 1.28 0.00 0.00 46 P 0.00 4.25 0.00 2.06 1.97 0.00 3.77 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 1.99 0.00 47 H 7.98 4.63 0.00 3.17 3.42 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.82 4.50 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 0.60 0.00 0.00 1.03 0.00 0.00 49 D 8.27 4.69 0.00 2.86 2.80 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 50 T 8.75 3.30 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 1.27 0.00 0.00 51 G 8.37 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 0.00 0.00 0.00 0.00 52 D 8.37 4.29 0.00 2.83 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 53 Y 8.45 4.44 0.00 2.83 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 54 I 7.89 4.87 1.88 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 1.19 0.55 0.97 0.00 0.00 55 I 8.11 4.93 2.05 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.83 1.14 0.00 0.00 56 V 8.01 5.19 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 0.98 0.00 0.00 0.96 0.00 0.00 57 L 8.03 4.71 0.00 1.72 1.66 1.09 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 58 N 10.61 4.27 0.00 3.11 3.10 0.00 0.00 6.69 7.27 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 59 A 7.90 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.20 4.76 0.00 2.74 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 61 K 9.18 4.26 0.00 1.74 1.94 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.54 7.81 62 V 8.36 4.39 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 0.77 0.00 0.00 0.99 0.00 0.00 63 A 7.78 3.57 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 64 V 7.36 3.18 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 0.80 0.00 0.00 1.19 0.00 0.00 65 T 7.41 3.62 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 1.22 0.00 0.00 66 G 9.09 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 9.40 4.49 0.00 2.75 2.84 0.00 0.00 6.87 6.70 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 68 K 7.71 4.13 0.00 1.98 1.88 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.59 7.81 69 R 8.27 3.92 0.00 1.86 1.98 0.00 3.18 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 70 T 8.04 4.25 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 1.28 0.00 0.00 71 D 7.90 4.73 0.00 2.66 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 72 K 7.76 4.16 0.00 1.86 1.88 0.00 1.46 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.67 1.32 7.81 73 V 8.04 5.60 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 0.64 0.00 0.00 -0.02 0.00 0.00 74 Y 7.91 3.99 0.00 2.62 2.87 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 75 Y 7.00 3.80 0.00 3.11 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 76 H 9.09 4.46 0.00 3.17 3.40 0.00 6.03 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.28 3.94 0.00 3.29 3.35 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.28 4.18 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 1.22 0.00 0.00 79 G 7.78 4.03 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 0.00 0.00 0.00 80 H 8.36 4.38 0.00 3.16 3.32 0.00 5.66 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.97 2.62 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 1.36 1.23 0.92 0.00 0.00 82 G 10.45 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 0.00 0.00 0.00 83 G 7.54 3.96 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 0.00 0.00 0.00 84 I 7.32 4.39 1.56 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 1.26 0.59 0.96 0.00 0.00 85 K 9.12 4.28 0.00 1.94 1.92 0.00 1.53 0.00 0.00 1.49 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 1.58 7.81 86 Q 8.35 4.69 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 87 A 8.41 4.23 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 88 T 7.73 4.53 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 1.28 0.00 0.00 89 F 9.30 4.78 0.00 3.15 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 90 E 8.93 3.88 0.00 2.11 2.28 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 2.48 2.56 0.00 91 E 8.34 3.99 0.00 2.22 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 2.18 2.29 0.00 92 M 7.93 4.03 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 93 I 7.91 3.89 1.70 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 1.23 1.03 0.61 0.00 0.00 94 A 7.44 4.55 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 95 R 7.53 4.46 0.00 1.69 1.86 0.00 3.16 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 96 R 7.51 4.67 0.00 1.81 1.73 0.00 3.22 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 97 P 0.00 5.03 0.00 2.06 2.05 0.00 3.78 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 98 E 8.34 4.02 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 99 R 8.06 3.61 0.00 1.89 1.85 0.00 3.13 0.00 0.00 3.28 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 100 V 7.32 3.83 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 0.81 0.00 0.00 1.05 0.00 0.00 101 I 8.38 3.58 1.90 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 1.45 0.73 0.94 0.00 0.00 102 E 7.81 4.12 0.00 2.14 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 0.00 2.72 2.42 0.00 103 I 8.18 3.91 1.98 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 1.56 0.64 1.05 0.00 0.00 104 A 7.79 4.41 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 0.00 105 V 8.02 4.14 2.22 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 0.97 0.00 0.00 1.01 0.00 0.00 106 K 7.49 3.81 0.00 0.79 1.46 0.00 1.33 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.03 1.14 7.81 107 G 7.76 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 0.00 108 M 8.24 4.49 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 109 L 7.66 4.65 0.00 1.80 1.69 0.92 0.75 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 0.00 110 P 0.00 3.80 0.00 2.10 2.16 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 111 K 8.26 3.77 0.00 1.83 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.62 7.81 112 G 8.45 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 0.00 0.00 0.00 113 P 0.00 4.47 0.00 2.07 2.09 0.00 3.85 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 2.04 2.10 0.00 114 L 8.82 3.63 0.00 1.78 1.54 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 115 G 9.04 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 0.00 116 R 8.48 3.85 0.00 2.13 1.71 0.00 3.19 0.00 0.00 3.21 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 117 A 9.05 4.51 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 0.00 118 M 8.40 4.46 0.00 1.97 2.29 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 119 F 7.88 4.83 0.00 3.18 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 0.00 120 R 7.62 3.16 0.00 1.61 1.78 0.00 2.88 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 121 K 7.36 4.04 0.00 1.88 1.47 0.00 1.39 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.10 7.81 122 L 7.49 4.22 0.00 1.70 1.51 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.55 3.76 0.00 1.95 1.61 0.00 1.34 0.00 0.00 1.50 0.00 0.00 2.69 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.30 7.81 124 V 6.45 4.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.90 0.00 0.00 125 Y 7.32 3.75 0.00 3.27 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 0.00 126 A 8.26 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.40 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 0.00 128 N 8.85 3.56 0.00 2.96 3.22 0.00 0.00 6.44 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 0.00 129 E 7.02 3.71 0.00 1.96 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 2.10 2.33 0.00 130 H 7.57 4.65 0.00 3.27 3.15 0.00 6.02 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.78 4.20 0.00 2.84 2.89 0.00 0.00 6.79 8.16 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 0.00 132 H 8.32 3.72 0.00 2.88 3.13 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.99 3.90 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 0.00 134 A 7.19 3.82 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.42 4.67 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.69 6.48 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 136 Q 8.70 3.73 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 6.40 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 137 P 0.00 4.25 0.00 2.52 2.09 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 138 Q 9.03 4.35 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 139 V 7.76 4.18 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 0.70 0.00 0.00 0.85 0.00 0.00 140 L 8.04 4.21 0.00 1.30 1.38 0.60 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 *141 D 8.15 4.45 0.00 2.48 2.47 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 * Residues marked with a * may have inaccurate shift predictions.