NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2710 8.1593 117.3738 63.5141 69.7138 174.2228 2 S 4.3733 8.4087 121.9956 56.1082 66.1929 173.3429 3 K 4.0220 8.5551 122.1675 59.4641 32.3488 179.3426 4 K 3.8046 8.0950 119.4228 59.7380 31.8348 178.3546 5 K 4.0072 7.8284 117.7474 58.8933 32.0909 177.7899 6 R 4.3824 7.5171 115.9618 56.5195 30.6160 177.8216 7 Q 4.1126 8.0554 119.9958 57.2576 28.4574 176.2824 8 R 4.0133 7.5109 119.1399 58.2410 30.1836 176.6301 9 G 4.0735 9.0803 111.7452 45.3048 0.0000 174.0371 10 S 4.1989 7.9116 113.1655 58.4639 63.5608 174.3552 11 R 4.1510 7.9801 124.8608 57.3810 29.1902 176.6558 12 T 4.2796 7.6237 105.0074 61.4388 69.6132 174.2636 13 H 4.7102 8.3454 118.0613 55.9030 27.2763 175.8818 14 G 3.9540 8.4045 105.7189 45.7171 0.0000 175.7094 15 G 3.8486 8.2233 108.0167 45.9033 0.0000 175.7044 16 G 3.9655 7.3746 106.3052 44.9750 0.0000 174.6441 17 S 4.2163 8.5433 118.0567 58.5152 62.7317 174.5757 18 H 4.4705 8.7779 120.5914 57.0203 28.4484 175.8999 19 K 4.0740 7.6850 119.1377 56.9432 31.6521 177.4557 20 N 4.3530 7.3335 117.5485 55.5392 39.1765 176.9163 21 R 4.4798 7.4823 121.6606 56.6660 28.9706 177.5759 22 R 4.5851 7.3824 122.4077 56.3110 30.9572 180.5426 23 G 4.0689 8.5233 119.8395 45.2305 0.0000 172.9667 24 A 4.2917 8.6511 121.5561 54.1825 18.4817 179.9709 25 G 3.6011 8.0284 104.5095 47.8781 0.0000 175.1969 26 H 4.4309 7.9965 119.3692 58.1316 29.9562 176.4252 27 R 4.4606 7.8369 117.2034 55.1311 30.7958 176.2036 28 G 3.7561 7.9151 106.9709 47.0463 0.0000 172.9979 29 G 3.8512 8.0493 105.2667 43.9782 0.0000 174.1682 30 R 4.4141 8.5828 117.6607 55.8616 32.2381 176.7360 31 G 3.7830 8.1939 110.4034 47.5216 0.0000 173.8760 32 D 4.6756 8.6854 124.7161 53.8816 40.5927 175.4799 33 A 3.8759 7.4914 122.4592 54.1445 18.7767 178.6181 34 G 3.7852 8.9947 109.2275 46.0082 0.0000 175.3934 35 R 3.9824 7.6517 116.9633 57.6245 29.2954 177.3484 36 D 4.8645 7.8750 116.1457 52.6682 42.0168 175.0622 37 K 4.5565 8.7987 117.1013 57.6856 32.1897 177.4680 38 H 4.5766 9.7917 124.2782 58.3005 28.5483 176.3294 39 E 4.7350 7.6516 120.3776 55.6208 29.8941 177.9555 40 F 5.0634 8.1322 115.3900 59.1814 38.4804 175.0643 41 H 3.7639 6.0648 115.7414 57.3839 28.7155 174.5230 42 N 4.2413 8.7357 119.6223 54.6743 36.1114 173.5252 43 H 4.9338 7.5534 112.5965 53.5893 31.2362 174.5950 44 E 4.1563 8.6438 123.0053 55.3133 29.9847 175.3431 45 P 4.3996 0.0000 0.0000 62.7296 31.7715 176.2249 46 L 4.0400 8.1920 119.9600 55.3706 42.1447 175.9782 47 G 4.2636 8.0578 106.4092 43.4102 0.0000 173.0080 48 K 4.5991 8.0938 119.3634 54.6959 34.0625 176.5821 49 S 4.3941 8.2267 116.0346 57.8087 65.3144 175.2573 50 G 4.0452 9.1328 118.1046 45.2512 0.0000 171.4976 51 F 5.0020 8.3487 112.9409 55.5179 41.0433 173.2919 52 K 4.3140 8.3388 119.1116 54.4859 35.1693 176.3361 53 R 4.5938 8.0502 120.9661 53.7718 31.7904 174.7581 54 P 4.3023 0.0000 0.0000 63.1228 31.9578 177.0603 55 Q 4.2595 9.2916 121.2420 58.2400 28.7202 178.7094 56 K 4.2748 8.0005 113.3857 57.7145 32.9240 177.1674 57 V 4.2559 7.9831 118.7898 62.7015 31.7589 174.5310 58 Q 4.6154 7.8327 118.3198 54.4194 30.2014 174.6977 59 E 4.4373 8.5910 122.2484 55.1118 31.2544 175.4110 60 E 4.5130 8.3925 121.7248 54.3329 32.3464 174.2208 61 A 4.1088 8.3353 128.8477 51.0562 19.9706 176.2245 62 A 4.3976 8.7380 124.5197 51.0781 20.0121 176.8971 63 T 5.3646 8.0983 112.3532 60.3629 71.6421 174.0737 64 I 4.3515 7.6853 119.9781 60.3863 41.5619 173.3262 65 D 5.1853 8.6347 128.8229 53.4895 42.2939 177.7087 66 V 3.6407 8.3478 116.1456 64.7560 31.5084 178.7955 67 R 3.8876 7.8135 117.9898 59.6799 29.5573 178.1406 68 E 3.9140 7.9351 117.7229 59.2603 29.9694 178.6095 69 I 3.7770 7.6151 119.3228 64.5359 37.1351 177.6384 70 D 4.2532 8.4188 117.9602 57.5732 41.0753 178.0742 71 E 4.1723 8.1484 117.8372 58.0300 29.7034 177.2893 72 N 4.9500 7.7285 116.1515 52.9295 39.4793 177.2652 73 V 3.2176 7.7950 113.6369 64.6190 31.6715 177.9780 74 T 3.9757 7.5402 108.0857 64.5357 68.7820 175.5373 75 L 4.0530 7.7192 120.9320 57.1995 42.4782 177.6088 76 L 4.3317 7.5046 120.5436 53.8647 40.4590 177.9783 77 A 4.0501 7.6402 120.9866 54.6499 19.1470 178.7564 78 A 4.3114 7.9722 116.3653 53.0451 18.5706 176.6738 79 D 5.0468 7.3108 115.7105 52.0380 44.5466 175.3256 80 D 4.3340 8.1865 119.6429 54.8135 41.2747 177.1083 81 V 4.5374 8.0876 123.8718 60.9956 31.2477 175.3464 82 A 4.3204 7.5891 125.4983 50.8144 20.4057 177.4147 83 E 3.7609 8.7597 113.2849 59.2144 29.7709 176.8972 *89 F 4.5249 7.7144 117.8184 57.4313 41.0528 173.7493 90 R 5.1676 8.6942 121.3566 54.6318 32.3458 175.1634 91 V 4.4493 8.7001 126.0177 59.8891 34.8808 174.5722 92 D 4.5066 8.8022 124.9876 52.9696 40.7286 176.2833 93 V 3.6200 8.6167 128.6131 66.0879 31.6868 178.4523 94 R 3.9148 8.0582 117.4066 59.1851 29.9137 177.0291 95 D 4.5947 8.1210 115.0917 54.9819 41.4247 177.1117 96 V 3.9924 7.8516 119.0394 64.3726 32.4133 176.5352 97 V 3.6248 7.5624 118.4735 62.7871 31.6941 175.4766 98 E 4.1700 8.5674 126.5047 56.9848 30.0916 175.5712 99 E 3.7144 8.5149 116.4693 57.7216 26.7641 175.7024 100 A 4.2887 8.0026 121.2922 53.6058 19.5510 179.4515 101 D 4.4467 7.8533 116.6075 57.4614 41.2222 177.6667 102 D 4.6019 7.9730 114.9360 53.8646 39.5597 175.7161 103 A 4.5478 7.2410 123.0237 51.0977 20.3195 177.4136 104 D 4.6834 8.8518 121.6653 57.3720 42.0926 175.5816 105 Y 4.7014 7.2757 113.9235 56.4656 40.9889 172.8331 106 V 4.7079 8.9984 120.6988 61.0689 33.9993 174.3008 107 K 4.7000 8.8703 128.5581 54.5730 35.8974 174.6518 108 V 4.5320 8.4615 127.7205 61.6646 32.9732 174.9092 109 L 4.7877 9.3829 129.1645 53.0370 44.1426 176.7678 110 G 4.1016 8.3445 106.3745 46.0706 0.0000 173.8133 111 A 4.4656 7.7932 123.0881 51.6642 20.2226 177.2596 112 G 4.0611 8.7411 108.9565 44.2234 0.0000 172.4028 113 Q 4.6191 8.3212 116.6113 54.0057 31.5638 175.6540 114 V 4.3563 8.0836 118.5172 61.7558 32.5638 174.7022 115 R 4.5774 9.0912 126.0034 56.0792 30.0643 176.1114 116 H 4.9305 7.8807 113.9618 54.0783 32.8809 172.5602 117 E 4.6407 8.8056 119.4225 55.6887 30.2824 175.5138 118 L 5.1297 8.5857 124.2529 53.0681 45.8185 175.9996 119 T 5.4199 8.7800 118.9172 61.1887 70.7571 172.6525 120 L 5.2392 8.3533 126.6086 53.2726 44.4012 175.7971 121 I 5.6072 8.7618 123.2069 59.0134 39.9177 174.5901 122 A 4.8716 8.6394 127.2980 50.7755 22.1483 176.0507 123 D 4.5286 8.6129 118.3796 56.9111 42.0977 176.3657 124 D 4.6563 7.2758 115.7026 53.3527 44.5215 174.1051 125 F 5.4441 8.7006 121.4649 55.7693 43.2528 174.5549 126 S 4.5587 8.7196 116.1722 57.5753 64.5826 174.7031 127 E 4.0239 9.1440 121.6359 59.8292 29.2419 179.5673 128 G 3.5730 8.1152 104.8120 47.5554 0.0000 175.4285 129 A 4.0769 8.0106 123.1748 54.9105 18.3999 179.7673 130 R 3.7191 8.2831 117.2760 59.5725 30.1891 178.2191 131 E 3.9409 8.2960 118.4980 59.7125 29.3232 179.5386 132 K 3.9337 7.9164 116.7878 59.5156 32.4852 179.3877 133 V 3.7396 7.6557 117.7425 66.2099 31.5827 178.0301 134 E 4.6468 7.8025 119.8551 58.8103 29.0998 179.3378 135 G 3.8137 8.4947 104.3866 46.2292 0.0000 174.3571 136 A 4.7816 7.5060 122.1502 51.2910 20.3038 176.1681 137 G 3.7166 8.3444 106.7900 48.6365 0.0000 173.8047 138 G 4.5020 7.8119 106.4407 43.9936 0.0000 172.4198 139 S 5.0118 8.8045 112.5003 56.5482 66.9581 173.2461 140 V 4.4379 8.1888 120.5084 61.1298 33.6743 174.2536 141 E 4.6178 9.3508 128.2200 54.4779 31.5459 174.9290 142 L 4.9729 8.5399 127.5304 54.6833 42.7965 176.6460 143 T 4.1612 8.6495 122.9240 63.5048 69.3786 175.2785 144 D 4.3539 8.7675 122.8152 57.5675 41.5217 178.2846 145 L 4.0521 8.1510 120.7075 58.0525 42.1926 178.8121 146 G 3.8509 7.4589 105.2866 47.1330 0.0000 173.3717 147 E 4.3738 7.5919 120.8631 56.1238 28.4313 176.3878 148 E 4.4472 7.6391 118.0695 57.4475 32.0940 177.0190 149 R 4.1036 7.8705 117.9847 55.5716 28.4267 176.2088 150 Q 4.3064 8.0617 121.7735 56.7766 29.3204 173.2760 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 T 8.16 4.27 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 1.20 0.00 0.00 2 S 8.41 4.37 0.00 4.10 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 3 K 8.56 4.02 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.49 7.81 4 K 8.09 3.80 0.00 1.86 1.81 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.53 7.81 5 K 7.83 4.01 0.00 1.79 2.00 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.52 4.38 0.00 1.95 1.92 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 7 Q 8.06 4.11 0.00 1.94 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.96 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 8 R 7.51 4.01 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 9 G 9.08 4.07 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 0.00 0.00 0.00 10 S 7.91 4.20 0.00 3.99 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 11 R 7.98 4.15 0.00 1.97 2.09 0.00 3.21 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 1.51 1.60 0.00 12 T 7.62 4.28 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 1.31 0.00 0.00 13 H 8.35 4.71 0.00 3.21 3.40 0.00 5.69 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 14 G 8.40 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.22 3.85 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 0.00 0.00 0.00 16 G 7.37 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 17 S 8.54 4.22 0.00 3.87 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 18 H 8.78 4.47 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.68 4.07 0.00 1.72 1.80 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.31 7.81 20 N 7.33 4.35 0.00 2.84 2.54 0.00 0.00 6.95 7.06 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 21 R 7.48 4.48 0.00 1.79 1.92 0.00 3.18 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 22 R 7.38 4.59 0.00 1.75 0.95 0.00 3.21 0.00 0.00 3.20 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 23 G 8.52 4.07 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 0.00 0.00 0.00 24 A 8.65 4.29 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 25 G 8.03 3.60 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 0.00 0.00 0.00 26 H 8.00 4.43 0.00 3.11 3.47 0.00 5.93 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.84 4.46 0.00 2.11 1.94 0.00 3.33 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 28 G 7.92 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.05 3.85 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 0.00 0.00 0.00 30 R 8.58 4.41 0.00 1.89 1.85 0.00 3.29 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 31 G 8.19 3.78 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 0.00 0.00 0.00 32 D 8.69 4.68 0.00 2.74 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 33 A 7.49 3.88 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 34 G 8.99 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 35 R 7.65 3.98 0.00 1.53 2.04 0.00 2.73 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 36 D 7.88 4.86 0.00 2.72 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 37 K 8.80 4.56 0.00 1.77 1.57 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.52 7.81 38 H 9.79 4.58 0.00 3.32 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.65 4.74 0.00 2.03 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 2.27 2.16 0.00 40 F 8.13 5.06 0.00 3.21 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 41 H 6.06 3.76 0.00 2.90 3.05 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.74 4.24 0.00 2.80 2.85 0.00 0.00 6.89 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 43 H 7.55 4.93 0.00 3.42 3.22 0.00 5.85 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 44 E 8.64 4.16 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.40 0.00 2.19 2.09 0.00 3.79 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 2.01 2.02 0.00 46 L 8.19 4.04 0.00 1.66 1.65 0.91 0.93 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 47 G 8.06 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 0.00 0.00 0.00 0.00 48 K 8.09 4.60 0.00 1.76 1.75 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 S 8.23 4.39 0.00 3.78 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 50 G 9.13 4.05 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 0.00 0.00 0.00 51 F 8.35 5.00 0.00 3.13 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 52 K 8.34 4.31 0.00 1.69 1.63 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.35 7.81 53 R 8.05 4.59 0.00 1.77 1.88 0.00 3.33 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.52 0.00 54 P 0.00 4.30 0.00 2.23 2.22 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 55 Q 9.29 4.26 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.06 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 56 K 8.00 4.27 0.00 1.87 1.93 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.43 7.81 57 V 7.98 4.26 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.83 4.62 0.00 2.30 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 59 E 8.59 4.44 0.00 2.06 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 2.47 2.33 0.00 60 E 8.39 4.51 0.00 1.95 1.73 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 2.16 2.22 0.00 61 A 8.34 4.11 0.30 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 62 A 8.74 4.40 1.14 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 63 T 8.10 5.36 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 1.11 0.00 0.00 64 I 7.69 4.35 1.83 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 1.33 1.21 0.92 0.00 0.00 65 D 8.63 5.19 0.00 2.74 2.77 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 66 V 8.35 3.64 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 0.87 0.00 0.00 0.99 0.00 0.00 67 R 7.81 3.89 0.00 1.90 2.03 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 7.94 3.91 0.00 2.01 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 2.29 2.32 0.00 69 I 7.62 3.78 1.98 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 1.51 0.89 0.89 0.00 0.00 70 D 8.42 4.25 0.00 2.65 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 71 E 8.15 4.17 0.00 2.01 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 2.33 2.52 0.00 72 N 7.73 4.95 0.00 2.66 2.70 0.00 0.00 6.84 6.99 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 73 V 7.80 3.22 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.37 0.00 0.00 74 T 7.54 3.98 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 1.24 0.00 0.00 75 L 7.72 4.05 0.00 1.74 1.74 0.95 0.94 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 76 L 7.50 4.33 0.00 1.80 1.60 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.64 4.05 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 78 A 7.97 4.31 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.31 5.05 0.00 2.75 2.58 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 80 D 8.19 4.33 0.00 3.13 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 81 V 8.09 4.54 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 1.11 0.00 0.00 82 A 7.59 4.32 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.76 3.76 0.00 2.04 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 0.00 2.25 2.33 0.00 *89 F 7.71 4.52 0.00 3.07 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 R 8.69 5.17 0.00 1.84 1.83 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 91 V 8.70 4.45 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 0.67 0.00 0.00 0.95 0.00 0.00 92 D 8.80 4.51 0.00 2.81 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 93 V 8.62 3.62 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 0.94 0.00 0.00 1.00 0.00 0.00 94 R 8.06 3.91 0.00 1.85 2.00 0.00 3.26 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 95 D 8.12 4.59 0.00 2.78 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 96 V 7.85 3.99 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 0.72 0.00 0.00 0.93 0.00 0.00 97 V 7.56 3.62 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 0.80 0.00 0.00 0.96 0.00 0.00 98 E 8.57 4.17 0.00 1.97 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 0.00 2.29 2.31 0.00 99 E 8.51 3.71 0.00 2.08 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 2.19 2.26 0.00 100 A 8.00 4.29 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 0.00 101 D 7.85 4.45 0.00 2.71 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 0.00 102 D 7.97 4.60 0.00 2.77 2.76 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 0.00 0.00 0.00 103 A 7.24 4.55 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 0.00 104 D 8.85 4.68 0.00 2.89 2.93 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 0.00 105 Y 7.28 4.70 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.00 4.71 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 0.83 0.00 0.00 0.90 0.00 0.00 107 K 8.87 4.70 0.00 1.84 1.48 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.37 7.81 108 V 8.46 4.53 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 1.07 0.00 0.00 0.80 0.00 0.00 109 L 9.38 4.79 0.00 1.74 1.57 0.90 -0.16 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 0.00 110 G 8.34 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 0.00 111 A 7.79 4.47 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 0.00 112 G 8.74 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 0.00 113 Q 8.32 4.62 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 114 V 8.08 4.36 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 1.01 0.00 0.00 0.96 0.00 0.00 115 R 9.09 4.58 0.00 1.89 1.89 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 116 H 7.88 4.93 0.00 3.21 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.81 4.64 0.00 2.15 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 2.29 2.36 0.00 118 L 8.59 5.13 0.00 1.64 1.63 0.98 0.75 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 0.00 119 T 8.78 5.42 4.28 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 1.23 0.00 0.00 120 L 8.35 5.24 0.00 1.80 1.86 1.05 0.83 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 0.00 121 I 8.76 5.61 2.07 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 1.19 0.81 1.07 0.00 0.00 122 A 8.64 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.61 4.53 0.00 2.90 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 0.00 124 D 7.28 4.66 0.00 2.78 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 0.00 125 F 8.70 5.44 0.00 2.89 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 S 8.72 4.56 0.00 3.98 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 0.00 127 E 9.14 4.02 0.00 2.08 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 2.51 2.41 0.00 128 G 8.12 3.57 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 0.00 129 A 8.01 4.08 1.58 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 0.00 130 R 8.28 3.72 0.00 1.86 2.10 0.00 3.10 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 131 E 8.30 3.94 0.00 2.21 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 2.34 2.57 0.00 132 K 7.92 3.93 0.00 1.76 1.90 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.66 7.81 133 V 7.66 3.74 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 1.05 0.00 0.00 1.05 0.00 0.00 134 E 7.80 4.65 0.00 2.03 1.96 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 2.41 2.22 0.00 135 G 8.49 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.51 4.78 1.44 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 0.00 137 G 8.34 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.81 4.50 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 0.00 0.00 0.00 139 S 8.80 5.01 0.00 3.81 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 0.00 140 V 8.19 4.44 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.20 0.00 0.00 141 E 9.35 4.62 0.00 2.06 1.89 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 2.23 2.21 0.00 142 L 8.54 4.97 0.00 1.72 1.63 1.27 1.14 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 0.00 143 T 8.65 4.16 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 1.25 0.00 0.00 144 D 8.77 4.35 0.00 2.67 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 0.00 145 L 8.15 4.05 0.00 1.68 1.79 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.46 3.85 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 0.00 0.00 0.00 147 E 7.59 4.37 0.00 2.13 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 2.35 2.53 0.00 148 E 7.64 4.45 0.00 1.84 1.90 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 2.15 2.46 0.00 149 R 7.87 4.10 0.00 1.80 1.93 0.00 3.34 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 150 Q 8.06 4.31 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.