NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3614 8.1927 115.4171 57.8367 65.1815 173.1583 2 K 3.5920 8.0654 121.6839 57.4685 31.8245 174.5414 3 G 3.8986 9.1599 114.1546 45.7909 0.0000 172.6450 4 S 4.1941 8.1114 114.3646 58.5872 62.9733 174.0679 5 R 4.3458 8.4983 123.9922 56.1860 31.1256 175.3154 6 I 5.1146 7.6105 120.4688 59.5890 39.6652 175.0305 7 E 4.8311 9.1505 124.9496 54.7754 34.0798 174.4314 8 L 5.1516 8.6829 122.4736 53.6129 43.7545 175.9815 9 G 4.4914 9.2156 108.4776 44.3644 0.0000 171.7332 10 D 4.9368 8.7776 120.2147 54.1357 41.7837 176.1667 11 V 4.3690 8.2749 121.3825 61.9598 33.0419 175.1903 12 T 4.8003 9.0017 115.9201 59.3019 71.9750 172.9780 13 P 4.3394 0.0000 0.0000 65.5911 31.4602 177.7489 14 H 4.3733 8.0427 118.0586 58.0942 30.1474 175.3927 15 N 4.9473 8.1333 113.9456 51.9541 37.9740 175.8844 16 I 3.7534 7.7857 120.5672 64.4340 37.9542 177.8346 17 K 3.9318 7.9685 119.0816 59.0884 31.8883 178.9042 18 Q 3.9126 7.8356 119.6200 58.9584 28.9195 177.8639 19 L 3.9681 7.9027 120.8796 58.1703 42.1660 178.7115 20 K 3.7459 7.8639 119.4097 59.3597 31.5147 178.5441 21 R 4.0301 7.9872 118.9400 59.5217 29.9804 178.5134 22 L 3.9957 8.0255 118.5393 57.9941 41.6990 179.1412 23 N 4.7534 8.6365 116.7405 56.6463 38.2569 177.4243 24 Q 4.0946 8.0897 118.6041 59.0651 28.8918 178.7758 25 V 3.7352 7.3218 117.2481 65.7573 31.6514 177.7133 26 I 3.7035 7.6244 118.4782 61.8881 37.3254 176.1852 27 F 4.9739 7.6610 118.0197 55.0490 40.9578 174.3810 28 P 4.5249 0.0000 0.0000 63.3191 31.7128 176.2144 29 V 4.3707 7.1298 112.0118 59.7653 34.2590 175.0987 30 S 4.6420 8.0855 118.1482 57.1751 64.5584 173.2912 31 Y 4.4095 8.1701 121.1322 55.9853 40.0595 175.6825 32 N 4.8891 8.4716 121.1243 51.8675 39.1761 175.6667 33 D 4.7080 8.7495 117.5734 57.4040 40.6134 178.8872 34 K 3.9620 8.2519 119.8588 59.3111 32.2564 178.1564 35 F 3.9406 8.6416 120.9668 61.8454 39.0117 176.8908 36 Y 4.1637 7.5339 113.5806 60.5268 37.6564 177.6838 37 K 4.1072 8.3848 120.8999 59.7430 32.2461 178.5399 38 D 4.2832 8.2016 119.1987 57.3182 40.1546 178.7802 39 V 3.3575 7.3994 118.5668 66.0377 31.2272 177.7904 40 L 4.1885 7.5480 116.3738 56.3619 41.5511 177.9302 41 E 4.5576 8.0572 117.2778 56.2489 30.5814 177.0226 42 V 4.1656 7.4887 112.0019 59.4157 32.2242 176.9732 43 G 3.7515 8.4729 110.0288 46.8780 0.0000 176.2776 44 E 4.2860 8.9332 123.8432 57.4916 29.4025 177.0320 45 L 4.2621 8.0004 118.8062 55.3692 41.9899 175.9439 46 A 5.2972 7.7193 120.3689 50.1623 21.8852 175.8361 47 K 4.7808 9.1384 120.1114 55.0233 37.3315 175.2775 48 L 4.9336 8.9436 122.5104 53.3355 44.1711 175.2905 49 A 5.0796 8.6089 124.0297 50.3838 21.7986 175.1287 50 Y 5.0660 9.1743 119.7043 56.0135 41.5694 174.5200 51 F 5.0624 9.1374 126.0704 56.6915 41.8908 175.1245 52 N 4.0016 9.3472 125.5797 54.5458 36.5731 174.6127 53 D 4.4716 8.2610 111.9848 54.9346 38.7329 173.8019 54 I 4.4119 7.8240 120.9380 59.1083 38.8734 174.9659 55 A 4.1072 8.6934 128.2812 52.5238 18.2652 177.1586 56 V 4.2549 8.3473 114.9483 60.9183 34.4917 175.3515 57 G 4.3158 7.4854 106.6541 46.2362 0.0000 171.8007 58 A 5.1474 8.4042 119.6929 51.0186 23.2458 175.9313 59 V 4.9473 8.6710 118.5807 60.2484 34.9289 174.3738 60 C 5.0928 9.2057 121.7426 58.3112 31.3397 173.1011 61 C 5.1325 8.7455 120.5564 58.0727 32.1810 173.1346 62 R 4.7264 8.8337 115.4072 54.8445 32.9789 174.2245 63 V 4.5367 8.3966 120.3981 62.5965 32.7099 174.4996 64 D 4.9467 9.5844 127.5716 52.9248 44.0689 174.2760 65 H 5.7458 9.3078 123.3539 53.3377 29.2857 173.5169 66 S 4.6382 7.8246 116.6385 56.9136 66.2591 174.1076 67 Q 3.5951 9.2095 116.3098 56.8990 25.9445 173.4507 68 N 4.2437 8.3845 110.8915 54.4849 36.6083 174.0024 69 Q 4.7088 8.0538 114.7364 53.8903 32.6202 174.2520 70 K 4.7964 9.0772 121.4752 55.1670 33.8092 175.4449 71 R 5.3752 9.3572 126.1598 54.4282 34.9213 174.0268 72 L 5.0221 8.9218 124.1120 53.9356 43.8518 174.3520 73 Y 4.6732 8.9616 128.7917 56.2084 40.2180 175.0219 74 I 4.2115 7.5799 127.9032 60.4716 39.0188 175.4010 *76 T 3.6339 8.1635 112.9690 61.5717 70.2731 172.8405 77 L 4.9451 8.1264 126.1939 54.6710 44.9770 174.4692 78 G 4.1024 8.7044 112.7037 46.1946 0.0000 171.0802 79 C 5.2581 8.2783 114.0642 55.7921 33.4577 173.8739 80 L 3.9771 8.7559 119.6304 54.6150 42.1516 178.2719 81 A 3.9126 8.9066 126.3939 54.9552 18.1995 177.8619 82 P 4.2175 0.0000 0.0000 64.6883 31.3983 176.3346 83 Y 4.2950 7.6721 115.8211 57.6868 38.1900 176.0423 84 R 4.0973 7.4798 118.9642 56.6403 30.7517 175.8868 85 R 3.8905 8.4049 115.3914 57.9541 27.3791 177.0318 86 L 4.6055 8.3105 113.9504 54.3975 43.1634 177.5908 87 G 4.0803 8.3260 107.4354 45.4925 0.0000 175.7425 88 I 3.7079 7.7646 120.9867 64.2876 37.4858 177.4610 89 G 3.6951 8.2217 107.6490 49.0158 0.0000 174.4740 90 T 4.1952 8.3810 117.0568 66.4125 68.9086 176.6644 91 K 4.2337 8.0477 118.7286 57.1811 31.7444 177.8771 *93 L 4.2375 8.0045 121.0440 54.6939 43.7041 178.5372 94 N 4.3803 8.4193 116.2418 56.3902 38.4335 176.8461 95 H 4.1309 8.1520 119.3030 59.4791 29.9847 177.8409 96 V 3.5891 7.7337 113.6673 64.3109 31.3985 178.4065 97 L 3.9849 8.2399 119.0868 57.8916 41.4511 179.3720 98 N 4.3530 8.4365 116.5824 56.1079 38.4149 177.5190 99 I 3.6900 7.5708 121.0351 64.5944 37.1926 178.2584 100 C 4.0664 7.8727 117.4609 62.7271 27.6959 175.7698 101 E 3.9851 8.1988 119.9742 59.3827 29.3213 178.8132 102 K 4.1699 8.0176 117.3507 59.0599 32.1289 178.7601 103 D 4.5038 8.1067 118.1673 56.6348 41.4296 177.7159 104 G 3.9999 8.6394 105.2935 45.9188 0.0000 173.7393 105 T 4.3531 7.7985 108.0108 61.1835 69.5545 174.8480 106 F 4.5322 8.0075 121.7955 57.6210 40.0562 175.1507 107 D 4.7317 9.3492 126.0614 57.2592 41.9728 175.8485 108 N 5.1795 7.8744 113.1962 52.1581 40.8303 173.0630 109 I 5.2791 8.5205 119.4358 59.6132 41.4890 173.5574 110 Y 5.6226 9.0058 125.3979 56.4788 42.0096 172.9388 111 L 4.4515 8.7790 119.3519 55.4568 44.4094 173.2632 112 H 5.2678 8.5100 115.9522 54.0779 31.0242 174.7515 113 V 4.4898 8.5917 121.7447 60.7457 34.6308 174.4621 114 Q 4.8434 9.1872 129.2603 56.5750 29.3459 177.5784 115 I 3.6362 8.4978 119.9600 63.6091 37.6629 177.2585 116 S 4.3264 7.9767 113.8764 59.6847 63.8007 174.4641 117 N 4.6945 8.2340 122.6887 52.3547 37.2440 174.8166 118 E 4.0870 8.2451 122.6606 58.9862 30.0435 178.6622 119 S 4.1677 8.0765 113.7249 61.2953 63.1669 176.2909 120 A 4.1553 8.3256 124.2492 54.8560 18.1047 179.7074 121 I 3.8151 7.9073 118.3589 64.7292 37.3763 178.2173 122 D 4.4353 8.3503 119.7942 57.3848 40.4466 178.7626 123 F 4.1930 8.1524 119.6389 61.7656 39.7879 176.5630 124 Y 3.7436 8.2122 116.3540 60.9263 37.6468 178.5973 125 R 4.5729 8.3920 120.4378 58.5169 29.8704 178.9094 126 K 3.9286 7.8503 118.6359 58.9415 32.1357 177.7689 127 F 4.5609 7.9669 115.6797 56.9784 39.0354 176.4587 128 G 4.0003 7.9759 106.5745 45.5050 0.0000 174.2185 129 F 4.5309 8.4245 118.1692 57.2034 39.8557 174.0076 130 E 4.9231 8.8999 123.0265 54.3823 33.2319 175.5029 131 I 4.4670 8.5314 124.3254 61.6926 36.9754 175.6720 132 I 4.3246 8.5317 121.4170 61.2425 38.8798 175.2392 133 E 4.7672 7.7047 121.6338 55.7313 33.0414 173.8610 134 T 4.9791 8.5286 120.6203 61.7649 71.2378 173.6707 135 K 4.4184 9.2047 127.5965 55.1502 32.9898 176.8005 136 K 4.5280 8.7471 124.9923 56.5621 33.7271 176.7780 137 N 4.3767 8.9780 118.5927 54.4428 37.0021 175.8512 138 Y 4.0158 7.6034 120.0152 60.6409 39.1265 175.7202 139 Y 4.4453 7.8097 116.1160 57.0231 39.1115 175.7132 140 K 4.2727 8.7165 124.1895 58.2020 33.0169 178.4920 141 R 4.5990 7.9699 113.7134 55.1234 31.9357 178.7254 142 I 4.5380 7.6143 108.2286 59.7414 39.8117 174.6228 143 E 4.8338 8.1902 120.3133 53.5183 32.4626 174.4955 144 P 4.4007 0.0000 0.0000 62.7943 32.0886 176.4497 145 A 4.4414 8.5944 121.6425 54.4577 19.6604 177.1295 146 D 5.2170 8.2476 115.3694 53.8796 42.9159 175.4382 147 A 5.1891 8.8393 122.6859 50.4608 22.6467 175.2777 148 H 4.8874 9.2516 119.2478 55.6376 30.6036 174.6803 149 V 4.4806 8.7862 122.7605 61.8160 33.0398 174.4190 150 L 5.2537 8.7999 128.5435 53.2485 43.9956 175.4480 151 Q 5.1488 9.4105 124.3573 54.2606 33.0127 173.2316 152 K 4.5016 8.7020 127.3590 54.4186 34.4408 174.6666 153 N 4.7868 8.6555 125.0786 52.9116 39.5805 175.1263 154 L 4.3847 8.4499 122.4562 54.8328 41.7817 176.3899 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 S 8.19 4.36 0.00 4.04 4.22 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 2 K 8.07 3.59 0.00 1.82 1.82 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.50 7.81 3 G 9.16 3.90 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 0.00 0.00 0.00 4 S 8.11 4.19 0.00 3.90 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 5 R 8.50 4.35 0.00 1.41 1.59 0.00 3.11 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 6 I 7.61 5.11 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 1.03 0.00 0.00 7 E 9.15 4.83 0.00 1.93 1.79 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 2.22 2.27 0.00 8 L 8.68 5.15 0.00 1.51 1.55 0.88 0.81 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 9 G 9.22 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.78 4.94 0.00 2.61 2.65 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 11 V 8.27 4.37 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 0.88 0.00 0.00 0.95 0.00 0.00 12 T 9.00 4.80 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 1.25 0.00 0.00 13 P 0.00 4.34 0.00 2.09 2.19 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 14 H 8.04 4.37 0.00 3.03 3.37 0.00 5.89 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 15 N 8.13 4.95 0.00 3.03 3.02 0.00 0.00 6.53 6.76 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 16 I 7.79 3.75 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.23 0.96 0.00 0.00 17 K 7.97 3.93 0.00 1.79 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.46 7.81 18 Q 7.84 3.91 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 19 L 7.90 3.97 0.00 1.85 1.92 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.86 3.75 0.00 1.08 1.65 0.00 1.12 0.00 0.00 1.30 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.05 7.81 21 R 7.99 4.03 0.00 1.98 2.08 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 22 L 8.03 4.00 0.00 1.93 1.70 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.64 4.75 0.00 3.13 3.22 0.00 0.00 7.09 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 24 Q 8.09 4.09 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.99 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 25 V 7.32 3.74 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 0.78 0.00 0.00 0.95 0.00 0.00 26 I 7.62 3.70 1.33 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 -0.04 0.00 0.00 27 F 7.66 4.97 0.00 3.35 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 28 P 0.00 4.52 0.00 2.06 2.09 0.00 3.91 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 29 V 7.13 4.37 1.79 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 0.78 0.00 0.00 0.71 0.00 0.00 30 S 8.09 4.64 0.00 3.76 3.75 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 31 Y 8.17 4.41 0.00 2.54 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 0.00 0.00 0.00 32 N 8.47 4.89 0.00 3.03 3.02 0.00 0.00 6.24 8.07 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 33 D 8.75 4.71 0.00 2.80 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 34 K 8.25 3.96 0.00 1.88 2.05 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.54 7.81 35 F 8.64 3.94 0.00 3.14 2.95 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 36 Y 7.53 4.16 0.00 3.28 3.10 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 37 K 8.38 4.11 0.00 1.88 1.99 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.51 7.81 38 D 8.20 4.28 0.00 2.66 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 39 V 7.40 3.36 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 0.37 0.00 0.00 40 L 7.55 4.19 0.00 1.82 1.72 0.96 0.83 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 41 E 8.06 4.56 0.00 1.96 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 2.41 2.45 0.00 42 V 7.49 4.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.89 0.00 0.00 43 G 8.47 3.75 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 0.00 0.00 0.00 44 E 8.93 4.29 0.00 2.00 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 2.35 2.31 0.00 45 L 8.00 4.26 0.00 1.88 1.66 0.96 0.68 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 46 A 7.72 5.30 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.14 4.78 0.00 1.57 1.60 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.27 7.81 48 L 8.94 4.93 0.00 1.49 1.00 0.95 0.90 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 49 A 8.61 5.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 9.17 5.07 0.00 2.95 2.81 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 51 F 9.14 5.06 0.00 3.00 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 52 N 9.35 4.00 0.00 2.66 2.73 0.00 0.00 7.14 7.94 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 53 D 8.26 4.47 0.00 2.80 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 54 I 7.82 4.41 1.96 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 1.29 1.02 0.89 0.00 0.00 55 A 8.69 4.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.35 4.25 1.65 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 -0.06 0.00 0.00 0.67 0.00 0.00 57 G 7.49 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 0.00 0.00 0.00 0.00 58 A 8.40 5.15 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 59 V 8.67 4.95 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 0.76 0.00 0.00 0.92 0.00 0.00 60 C 9.21 5.09 0.00 2.71 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 61 C 8.75 5.13 0.00 2.75 2.81 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 62 R 8.83 4.73 0.00 1.83 1.93 0.00 2.82 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 63 V 8.40 4.54 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 0.82 0.00 0.00 1.13 0.00 0.00 64 D 9.58 4.95 0.00 2.87 2.68 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 0.00 0.00 0.00 0.00 65 H 9.31 5.75 0.00 3.06 3.23 0.00 5.75 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 66 S 7.82 4.64 0.00 3.90 3.90 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 67 Q 9.21 3.60 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 68 N 8.38 4.24 0.00 2.83 2.87 0.00 0.00 6.90 7.69 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 69 Q 8.05 4.71 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 70 K 9.08 4.80 0.00 1.72 1.52 0.00 1.33 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.87 1.06 7.81 71 R 9.36 5.38 0.00 2.00 2.14 0.00 3.20 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 72 L 8.92 5.02 0.00 1.19 1.37 0.89 0.44 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 73 Y 8.96 4.67 0.00 2.79 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 74 I 7.58 4.21 1.55 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 1.21 0.58 0.80 0.00 0.00 *76 T 8.16 3.63 3.20 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 0.17 0.00 0.00 77 L 8.13 4.95 0.00 1.67 1.68 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.70 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 79 C 8.28 5.26 0.00 3.05 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 80 L 8.76 3.98 0.00 1.91 1.72 0.95 0.94 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 81 A 8.91 3.91 1.23 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 0.00 0.00 0.00 82 P 0.00 4.22 0.00 1.58 1.94 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 83 Y 7.67 4.29 0.00 2.95 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 84 R 7.48 4.10 0.00 1.86 1.76 0.00 3.22 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 85 R 8.40 3.89 0.00 1.92 2.00 0.00 3.32 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 86 L 8.31 4.61 0.00 1.68 1.72 0.62 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.33 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 0.00 0.00 0.00 0.00 88 I 7.76 3.71 1.84 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 1.44 0.65 0.88 0.00 0.00 89 G 8.22 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 0.00 0.00 0.00 90 T 8.38 4.20 4.60 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 1.49 0.00 0.00 91 K 8.05 4.23 0.00 2.03 1.99 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.47 7.81 *93 L 8.00 4.24 0.00 1.72 1.25 1.01 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.42 4.38 0.00 3.00 2.93 0.00 0.00 6.67 8.45 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 95 H 8.15 4.13 0.00 3.39 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.73 3.59 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 0.77 0.00 0.00 0.96 0.00 0.00 97 L 8.24 3.98 0.00 1.71 1.75 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.44 4.35 0.00 2.88 2.86 0.00 0.00 7.00 7.05 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 99 I 7.57 3.69 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 0.90 0.00 0.00 100 C 7.87 4.07 0.00 3.00 2.81 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 0.00 101 E 8.20 3.99 0.00 2.14 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 2.51 0.00 102 K 8.02 4.17 0.00 1.81 1.88 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.56 7.81 103 D 8.11 4.50 0.00 2.93 3.16 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 0.00 0.00 0.00 0.00 104 G 8.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 4.35 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 1.15 0.00 0.00 106 F 8.01 4.53 0.00 3.07 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 0.00 107 D 9.35 4.73 0.00 2.72 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 0.00 108 N 7.87 5.18 0.00 2.88 2.86 0.00 0.00 5.63 7.77 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 0.00 109 I 8.52 5.28 1.79 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 1.52 1.70 0.71 0.00 0.00 110 Y 9.01 5.62 0.00 3.29 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 0.00 111 L 8.78 4.45 0.00 1.44 1.37 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.51 5.27 0.00 2.84 2.68 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.59 4.49 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 1.11 0.00 0.00 0.91 0.00 0.00 114 Q 9.19 4.84 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 115 I 8.50 3.64 1.82 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 1.55 0.73 0.67 0.00 0.00 116 S 7.98 4.33 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.23 4.69 0.00 2.84 2.88 0.00 0.00 7.06 8.51 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 0.00 118 E 8.25 4.09 0.00 2.08 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 2.55 0.00 119 S 8.08 4.17 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.33 4.16 1.61 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 0.00 0.00 121 I 7.91 3.82 2.09 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 1.66 0.86 0.99 0.00 0.00 122 D 8.35 4.44 0.00 2.95 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 0.00 123 F 8.15 4.19 0.00 2.97 3.16 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 0.00 0.00 0.00 0.00 124 Y 8.21 3.74 0.00 3.00 2.57 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 0.00 125 R 8.39 4.57 0.00 1.99 2.05 0.00 3.19 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 126 K 7.85 3.93 0.00 1.87 1.82 0.00 1.71 0.00 0.00 1.43 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.05 1.33 7.81 127 F 7.97 4.56 0.00 3.28 3.23 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 0.00 128 G 7.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.42 4.53 0.00 3.18 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 0.00 130 E 8.90 4.92 0.00 1.88 1.82 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 2.24 2.27 0.00 131 I 8.53 4.47 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.83 0.00 0.00 132 I 8.53 4.32 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.92 0.00 0.00 133 E 7.70 4.77 0.00 2.02 1.77 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 2.26 2.31 0.00 134 T 8.53 4.98 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 135 K 9.20 4.42 0.00 1.62 1.80 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 136 K 8.75 4.53 0.00 1.74 1.75 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.49 7.81 137 N 8.98 4.38 0.00 2.86 2.88 0.00 0.00 6.91 6.74 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 0.00 138 Y 7.60 4.02 0.00 2.89 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 0.00 139 Y 7.81 4.45 0.00 3.06 2.83 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 0.00 140 K 8.72 4.27 0.00 1.71 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.30 7.81 141 R 7.97 4.60 0.00 1.77 1.77 0.00 3.24 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 142 I 7.61 4.54 1.74 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 0.82 0.00 0.00 143 E 8.19 4.83 0.00 1.92 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 2.18 2.19 0.00 144 P 0.00 4.40 0.00 2.23 2.08 0.00 3.75 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 2.02 1.99 0.00 145 A 8.59 4.44 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 0.00 146 D 8.25 5.22 0.00 2.66 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 0.00 147 A 8.84 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 H 9.25 4.89 0.00 3.11 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.79 4.48 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 1.11 0.00 0.00 1.03 0.00 0.00 150 L 8.80 5.25 0.00 1.57 1.70 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.41 5.15 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 152 K 8.70 4.50 0.00 0.79 0.74 0.00 1.57 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.08 1.14 7.81 153 N 8.66 4.79 0.00 2.58 2.70 0.00 0.00 6.94 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 0.00 154 L 8.45 4.38 0.00 1.71 1.55 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.