NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4138 8.1814 115.2903 57.8623 64.3879 175.2390 3 G 3.6792 8.0531 105.8212 47.0787 0.0000 174.0402 4 I 3.8556 7.5674 122.1275 64.1686 37.8694 176.2933 5 K 4.4105 7.8714 117.8280 58.3199 32.8948 178.5970 6 S 4.2291 7.5615 113.1330 60.9687 62.9041 176.0494 7 L 3.9899 7.6801 124.6378 58.0378 42.0162 178.5474 8 E 4.0111 8.1395 118.0779 59.2481 29.1735 179.2062 9 L 4.0306 7.6473 118.2456 57.6325 41.8659 178.9040 10 L 4.0965 7.6182 120.4827 58.1692 42.1610 179.0654 11 L 3.8446 8.2104 119.1679 57.7343 41.5859 179.4373 12 Q 4.6710 8.4652 119.0364 57.6153 28.3845 177.6755 13 S 4.6413 7.3519 113.4261 57.7079 63.9216 173.7266 14 M 4.4215 7.2597 123.1997 55.8350 33.1221 175.8945 15 S 4.5661 9.3010 120.7606 56.0724 65.2555 171.0604 16 P 4.8153 0.0000 0.0000 62.6873 32.6486 176.0555 17 E 4.4964 8.7718 120.9136 54.3539 33.0874 174.5749 18 L 4.4752 8.5821 127.8084 55.3944 42.6767 176.5263 19 M 4.5941 8.9684 126.5061 53.7740 33.9849 175.7963 20 A 4.2229 8.4141 122.8962 52.4006 19.5290 178.0746 21 G 3.8040 8.7814 105.9317 45.7886 0.0000 172.7100 22 D 5.0607 8.1109 120.8314 52.8946 43.1133 175.1390 23 Y 5.3279 9.2080 120.0834 56.4458 42.1506 175.0603 24 V 5.1563 8.8469 113.7215 59.9306 36.5476 174.4485 25 F 4.8237 9.1925 122.6345 56.7085 39.9432 175.2307 26 C 5.0560 9.2056 121.0158 58.0606 32.2896 172.7228 27 T 4.9811 8.4454 114.9368 60.5271 69.5363 173.3119 28 V 4.5471 8.8607 121.2050 59.5465 36.2445 174.1231 29 N 5.1198 9.5981 119.0681 51.4930 40.3326 175.0863 30 G 4.1184 8.4138 112.3025 44.9439 0.0000 171.0089 31 A 4.2339 7.8388 121.9365 51.4391 19.2185 178.3344 32 L 4.1078 8.7598 122.7854 58.5249 41.7596 179.7928 33 S 4.1901 8.1019 112.7726 61.5212 62.8640 175.7387 34 D 4.3760 7.9698 120.8543 55.8610 40.2328 176.4318 35 Y 4.7621 7.6198 116.2446 57.5035 39.2634 177.5075 36 L 4.0961 8.0199 123.3968 57.7943 41.8809 179.5203 37 S 4.2761 7.9681 111.7831 60.6490 63.1714 175.2538 38 L 4.0440 7.6180 119.7700 55.6201 42.0566 176.5219 39 E 3.8118 7.8885 117.7745 56.6700 27.1359 173.0333 40 P 4.4977 0.0000 0.0000 62.4290 32.7768 177.3627 41 I 4.0071 8.2892 121.4589 63.7659 38.5493 175.5310 42 A 4.7950 7.6366 121.5893 50.9781 22.7700 175.1853 43 T 5.0523 8.2174 115.0525 62.1668 72.9342 173.4503 44 F 4.4654 9.0397 127.4951 56.6397 43.2178 173.3366 45 R 4.4245 8.0146 127.0823 55.5415 29.8560 175.3697 46 E 4.7602 8.7682 126.6999 54.2282 30.9387 176.2712 47 P 4.3350 0.0000 0.0000 65.8914 31.2265 177.4090 48 E 4.0661 8.1719 116.7207 57.3114 29.8796 175.9623 49 G 4.3465 7.3392 105.4420 42.3967 0.0000 172.0576 50 L 4.3809 8.0531 123.0528 55.3042 43.1479 176.0026 51 T 4.6922 9.5332 124.7252 63.2512 69.9014 173.5631 52 L 5.0012 8.7161 126.6350 52.8201 44.7383 175.5544 53 V 4.3641 8.3677 124.4395 61.0035 33.0412 174.3936 54 L 5.2271 8.5362 127.4916 53.6663 44.8448 175.6963 55 E 4.1127 8.9164 118.9094 56.5149 30.1113 178.2876 56 A 4.0304 8.7468 125.9400 55.2687 18.2863 179.0292 57 E 3.8161 8.2323 117.2888 59.8825 29.5734 179.0720 58 K 3.9310 8.0315 117.2383 59.3453 32.1871 178.9538 59 A 4.0055 7.9844 121.1588 55.3596 18.3684 179.6427 60 Q 4.1941 8.0043 115.1708 59.0313 28.6931 178.3807 61 Q 4.0520 8.0757 119.3691 57.9920 28.7611 177.3394 62 A 4.5945 7.9046 119.2258 50.4076 19.9910 176.6915 63 G 3.9705 7.7201 105.8628 46.5783 0.0000 174.1273 64 L 4.3930 8.1368 117.8257 53.0439 43.0483 177.3048 65 E 4.2345 8.7726 123.0187 56.7092 30.1981 176.7092 66 S 4.9658 8.0613 119.7238 57.8202 62.2402 176.1563 67 S 4.5442 8.4863 114.4813 56.7258 65.1313 172.8787 68 A 4.0900 8.4307 122.5406 52.4014 18.7207 177.2351 69 L 4.4973 8.1235 119.4821 54.8751 42.9736 176.3803 70 F 5.4935 9.7886 121.2602 56.0139 42.8651 174.5144 71 S 5.3152 9.5741 117.1522 56.9912 66.3300 172.7089 72 L 4.3866 8.4504 123.4996 53.3397 44.2694 174.8331 73 I 4.8584 8.4541 127.5085 59.7831 39.8829 174.8857 74 T 4.4767 8.4853 124.6418 62.7708 69.9753 173.4976 75 L 4.7996 8.3878 128.7394 53.4081 43.7096 175.5000 76 T 4.6922 8.4132 116.3679 59.9127 71.7885 173.5217 77 V 4.7675 8.1567 115.5467 59.5153 35.0676 175.4881 78 H 4.9759 8.5660 119.5829 53.2549 28.0321 174.3065 79 S 4.1247 7.7051 110.5780 57.4457 64.3889 173.4005 *82 E 4.0621 8.5574 125.4202 56.3589 30.3658 174.7614 83 A 4.5516 8.0275 121.6710 51.6232 22.2456 175.2972 84 V 4.2169 8.1082 111.0978 61.0043 33.3106 176.1037 85 G 3.8396 8.9015 110.0826 45.4839 0.0000 175.5560 86 L 3.8509 8.2010 122.5173 58.5129 42.1576 178.8577 87 T 2.7409 7.6987 114.8509 66.1125 68.3413 176.2547 88 A 3.8016 7.7587 121.9313 55.0042 18.4053 179.3649 89 A 3.9650 7.8476 119.2759 55.4239 18.5596 179.9808 90 F 4.4481 7.8760 112.9629 59.9548 37.9034 177.5908 91 A 4.1041 7.4512 121.4862 55.1288 18.0998 179.7545 92 T 3.8136 8.1029 114.4998 66.6104 68.2768 176.6951 93 K 4.1297 8.3117 121.5247 59.7308 32.1870 178.8361 94 L 4.1305 8.1904 118.9847 57.6985 41.5679 179.2418 95 A 4.0318 8.4379 121.1246 55.3150 18.1147 179.5239 96 E 4.0445 8.3595 115.8534 58.9587 29.4548 178.2198 97 H 4.8041 7.4481 114.5957 54.4311 29.2589 174.7927 98 G 3.9591 8.0861 108.1883 46.8839 0.0000 174.0640 99 I 4.5003 7.9257 120.3464 58.8992 39.2462 175.9406 100 S 4.4682 8.7059 119.9755 57.4315 64.1843 173.0921 101 A 4.7276 8.5514 124.8504 50.5322 20.8253 175.7699 102 N 4.8166 9.0692 121.8073 51.8909 39.7053 174.1949 103 V 4.7742 8.2747 123.5957 60.5947 33.5609 175.6439 104 I 4.5855 9.0671 125.0149 59.2185 39.8632 174.7192 105 A 4.3883 8.8883 130.2971 51.9221 18.7889 177.4230 106 G 4.0585 8.7771 113.1700 44.2244 0.0000 172.9921 107 Y 3.9301 8.6311 119.3807 60.7907 38.8189 176.7878 108 Y 4.3350 7.9350 115.0752 59.9427 38.7642 175.4464 109 H 5.0376 7.7077 114.4440 53.5720 32.9737 171.9930 110 D 4.7810 8.4112 121.4830 54.6594 42.2528 174.9459 111 H 5.0939 9.0387 119.8829 54.0118 32.0938 172.6342 112 I 4.8371 8.8051 124.6089 59.5796 39.7476 174.5811 113 F 5.2471 9.3788 126.7006 56.2943 40.5280 175.4746 114 V 5.2018 8.6489 117.1439 59.0441 35.4651 175.2951 115 Q 4.0194 8.9761 120.7447 56.6733 29.3584 178.3219 116 K 4.1458 9.0540 124.5491 58.9250 32.4166 178.8349 117 E 4.0537 8.1935 114.8658 58.4137 29.6632 177.4439 118 K 4.4837 7.9300 117.4855 56.0022 33.0937 177.7471 119 A 4.0475 7.9764 123.4344 55.2324 18.1806 180.1613 120 Q 3.9097 7.9961 117.6516 59.3679 29.2798 177.9948 121 Q 3.9928 8.1313 118.4373 58.9737 28.6816 178.7139 122 A 3.9928 8.1463 121.7547 54.8567 18.4591 179.3929 123 L 3.8731 7.8809 118.8909 58.5019 41.9668 179.3111 124 Q 3.9726 7.8503 116.4444 58.8176 28.6337 178.2649 125 A 4.1925 7.8982 121.7970 55.2740 17.9346 179.7497 126 L 4.3792 8.3392 117.6505 57.4909 41.5373 179.2474 127 G 3.8438 8.0784 103.7946 46.2340 0.0000 174.9550 128 E 4.1205 7.7058 120.1136 58.7655 29.6163 178.1480 129 F 4.3082 7.9475 117.5480 60.3464 39.3003 176.1459 130 A 5.1593 7.7773 122.1371 51.3336 18.3851 177.1069 131 Q 4.1279 7.8327 124.7541 57.4694 29.8963 175.2430 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 S 8.18 4.41 0.00 3.87 3.92 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 3 G 8.05 3.68 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 0.00 0.00 0.00 4 I 7.57 3.86 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.52 0.97 0.00 0.00 5 K 7.87 4.41 0.00 2.03 2.06 0.00 1.40 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.55 7.81 6 S 7.56 4.23 0.00 4.07 4.37 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 7 L 7.68 3.99 0.00 1.75 1.85 0.95 0.89 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 8 E 8.14 4.01 0.00 2.19 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 2.42 0.00 9 L 7.65 4.03 0.00 1.89 1.74 0.94 0.78 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 10 L 7.62 4.10 0.00 1.79 1.83 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.21 3.84 0.00 1.77 1.62 1.00 0.71 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 12 Q 8.47 4.67 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 13 S 7.35 4.64 0.00 4.14 3.98 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 14 M 7.26 4.42 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 15 S 9.30 4.57 0.00 3.87 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 16 P 0.00 4.82 0.00 2.08 1.99 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 17 E 8.77 4.50 0.00 1.85 1.83 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 2.18 2.30 0.00 18 L 8.58 4.48 0.00 1.63 1.58 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.97 4.59 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.72 0.00 20 A 8.41 4.22 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 21 G 8.78 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 22 D 8.11 5.06 0.00 2.53 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 23 Y 9.21 5.33 0.00 3.28 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 24 V 8.85 5.16 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 0.95 0.00 0.00 1.08 0.00 0.00 25 F 9.19 4.82 0.00 2.87 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 26 C 9.21 5.06 0.00 2.74 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 27 T 8.45 4.98 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 1.22 0.00 0.00 28 V 8.86 4.55 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 0.56 0.00 0.00 0.19 0.00 0.00 29 N 9.60 5.12 0.00 2.62 2.77 0.00 0.00 6.78 7.65 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 30 G 8.41 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 0.00 0.00 0.00 31 A 7.84 4.23 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 32 L 8.76 4.11 0.00 1.79 1.72 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.10 4.19 0.00 4.04 3.99 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 0.00 0.00 0.00 0.00 34 D 7.97 4.38 0.00 2.39 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 0.00 0.00 0.00 0.00 35 Y 7.62 4.76 0.00 3.02 2.89 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 36 L 8.02 4.10 0.00 1.81 1.73 0.93 0.90 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 37 S 7.97 4.28 0.00 3.98 3.99 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 0.00 0.00 0.00 0.00 38 L 7.62 4.04 0.00 1.96 1.83 1.15 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.89 3.81 0.00 2.12 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 0.00 2.28 2.42 0.00 40 P 0.00 4.50 0.00 2.33 2.03 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 41 I 8.29 4.01 1.97 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 1.11 0.83 0.74 0.00 0.00 42 A 7.64 4.79 1.06 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 43 T 8.22 5.05 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 1.17 0.00 0.00 44 F 9.04 4.47 0.00 3.15 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 45 R 8.01 4.42 0.00 1.71 1.61 0.00 3.32 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 46 E 8.77 4.76 0.00 2.28 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 0.00 2.48 2.46 0.00 47 P 0.00 4.34 0.00 2.20 2.23 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 48 E 8.17 4.07 0.00 1.98 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 0.00 2.32 2.38 0.00 49 G 7.34 4.35 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 0.00 50 L 8.05 4.38 0.00 1.73 1.43 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 51 T 9.53 4.69 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 52 L 8.72 5.00 0.00 1.44 1.44 0.54 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.37 4.36 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 -0.37 0.00 0.00 54 L 8.54 5.23 0.00 1.77 1.70 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.92 4.11 0.00 2.01 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 1.97 2.33 0.00 56 A 8.75 4.03 1.32 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 57 E 8.23 3.82 0.00 2.05 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 2.37 2.48 0.00 58 K 8.03 3.93 0.00 2.06 1.88 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.59 7.81 59 A 7.98 4.01 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 60 Q 8.00 4.19 0.00 2.36 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.77 0.00 61 Q 8.08 4.05 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 62 A 7.90 4.59 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 63 G 7.72 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 64 L 8.14 4.39 0.00 1.63 1.62 0.94 0.88 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 65 E 8.77 4.23 0.00 1.98 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 2.33 2.31 0.00 66 S 8.06 4.97 0.00 4.04 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 0.00 67 S 8.49 4.54 0.00 4.17 4.16 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 68 A 8.43 4.09 0.98 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 0.00 0.00 69 L 8.12 4.50 0.00 1.56 1.61 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.79 5.49 0.00 3.29 3.30 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 71 S 9.57 5.32 0.00 3.80 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 72 L 8.45 4.39 0.00 1.52 1.40 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.45 4.86 1.75 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 1.18 0.64 0.80 0.00 0.00 74 T 8.49 4.48 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 1.06 0.00 0.00 75 L 8.39 4.80 0.00 1.17 1.25 0.45 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.41 4.69 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 0.96 0.00 0.00 77 V 8.16 4.77 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 0.70 0.00 0.00 0.89 0.00 0.00 78 H 8.57 4.98 0.00 2.97 3.19 0.00 5.70 0.00 0.00 0.00 0.00 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.71 4.12 0.00 3.87 3.73 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 *82 E 8.56 4.06 0.00 2.12 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 2.16 2.24 0.00 83 A 8.03 4.55 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.11 4.22 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 0.72 0.00 0.00 0.91 0.00 0.00 85 G 8.90 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.20 3.85 0.00 1.75 1.67 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.70 2.74 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 0.90 0.00 0.00 88 A 7.76 3.80 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 89 A 7.85 3.97 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 90 F 7.88 4.45 0.00 3.26 3.21 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 0.00 0.00 0.00 0.00 91 A 7.45 4.10 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 92 T 8.10 3.81 4.43 0.00 0.00 0.00 0.00 0.00 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 93 K 8.31 4.13 0.00 2.12 2.28 0.00 1.12 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.59 7.81 94 L 8.19 4.13 0.00 2.03 1.94 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.44 4.03 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 96 E 8.36 4.04 0.00 2.16 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 2.34 2.43 0.00 97 H 7.45 4.80 0.00 3.19 3.33 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.09 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 99 I 7.93 4.50 2.06 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 1.40 0.85 0.99 0.00 0.00 100 S 8.71 4.47 0.00 4.02 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 0.00 101 A 8.55 4.73 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 0.00 102 N 9.07 4.82 0.00 2.65 2.51 0.00 0.00 6.27 7.34 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 0.00 103 V 8.27 4.77 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 0.89 0.00 0.00 1.07 0.00 0.00 104 I 9.07 4.59 2.12 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 1.25 1.09 1.01 0.00 0.00 105 A 8.89 4.39 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 0.00 106 G 8.78 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 0.00 107 Y 8.63 3.93 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 7.94 4.34 0.00 2.99 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 0.00 109 H 7.71 5.04 0.00 3.01 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.41 4.78 0.00 2.51 2.48 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 0.00 111 H 9.04 5.09 0.00 3.30 2.99 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.81 4.84 1.74 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 0.99 0.00 0.00 113 F 9.38 5.25 0.00 3.01 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 0.00 114 V 8.65 5.20 2.20 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 0.81 0.00 0.00 1.02 0.00 0.00 115 Q 8.98 4.02 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 116 K 9.05 4.15 0.00 1.84 1.78 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.39 7.81 117 E 8.19 4.05 0.00 2.10 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 0.00 2.24 2.33 0.00 118 K 7.93 4.48 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 A 7.98 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.91 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 121 Q 8.13 3.99 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 122 A 8.15 3.99 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 0.00 123 L 7.88 3.87 0.00 1.89 1.84 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.85 3.97 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 125 A 7.90 4.19 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.34 4.38 0.00 1.74 1.82 0.85 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.08 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.71 4.12 0.00 1.86 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 2.28 2.48 0.00 129 F 7.95 4.31 0.00 3.26 3.30 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 0.00 130 A 7.78 5.16 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 0.00 131 Q 7.83 4.13 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.