NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9067 8.2127 109.7303 45.4477 0.0000 176.2562 5 Q 3.7908 9.1504 128.7817 56.6682 29.3575 174.1561 6 S 3.9650 8.0893 115.4359 61.4745 63.5553 175.8539 7 R 3.8132 7.8385 122.6352 58.7398 29.9740 177.6553 8 E 4.2526 8.0043 116.3037 57.6744 29.5644 178.7576 9 R 3.5881 7.7519 119.7530 58.5565 30.2375 177.7297 10 L 3.8331 7.5436 120.1643 58.2701 42.0814 179.1001 11 V 3.5836 8.1614 118.3471 65.7725 31.2645 177.6327 12 K 3.8479 7.6155 118.8248 59.6697 32.0615 178.7935 13 W 4.5466 8.2311 118.9168 59.4258 28.9893 178.6473 14 L 4.1074 8.6352 119.6761 58.0088 40.9500 179.5623 15 Q 4.0832 8.3794 117.9730 58.8717 28.3942 178.3277 16 D 4.3856 7.7930 118.9089 57.5098 41.0280 178.4832 17 A 4.0039 7.6756 119.4364 55.3326 18.2265 178.4460 18 Y 4.1896 8.2731 117.8035 60.7137 38.8199 177.4887 19 A 4.1210 7.9638 120.8150 52.8186 19.5057 179.0292 *21 E 4.3596 8.2403 122.7169 57.8714 32.1017 178.8314 22 K 3.9215 7.5237 117.9143 59.0898 31.8197 178.9802 23 E 3.8791 8.0564 118.8008 58.8906 29.6073 178.4152 24 A 3.7260 7.8474 119.5769 55.1242 18.6913 178.6937 25 E 4.0081 7.9754 116.4111 58.9411 30.9000 178.4659 26 T 4.0884 7.5050 116.8462 62.2404 65.4950 174.9491 *29 A 4.3063 7.7869 123.2705 51.2881 20.7140 177.2565 30 A 4.5826 7.3771 117.9892 51.6035 19.4896 178.6121 *32 A 4.1696 8.0449 124.5732 53.8118 20.5632 180.2647 33 S 4.2485 7.5629 110.5203 61.1172 62.9211 175.4445 34 R 4.3057 7.8056 116.7638 56.3178 30.5291 176.1341 35 I 4.2440 7.2815 119.1495 60.7304 37.4166 175.3153 36 E 4.5131 8.8283 124.2770 56.6474 31.4722 176.4704 37 H 4.8024 8.0718 112.2785 55.4951 30.1374 173.9986 38 Y 4.8443 7.3643 117.5959 54.2726 38.7007 173.4269 39 P 4.2748 0.0000 0.0000 65.4922 31.6485 177.4461 40 E 4.0334 8.3367 117.5106 59.7118 29.8544 177.7025 41 L 3.9820 8.5458 119.1560 58.7405 41.9460 178.4304 42 K 3.7862 8.6940 118.7492 59.8375 32.1711 178.7222 43 R 3.8320 8.2682 118.9822 59.5385 29.9325 178.4218 44 R 3.4563 7.8065 118.4182 59.3627 29.8783 178.4272 45 I 3.5814 7.3982 119.5291 64.3533 36.5249 178.0899 46 E 3.8827 8.0381 119.3166 59.6826 29.3898 179.3256 47 Q 3.9589 7.7161 119.3820 59.2448 28.9683 177.4941 48 H 4.7148 7.9539 119.9121 57.5785 29.8200 177.2773 49 V 3.5283 7.8977 120.6747 65.8205 31.1517 177.8087 50 E 4.2347 7.7492 118.7405 58.5320 28.9730 178.7091 51 E 3.9408 8.0274 118.5537 59.7835 29.4733 179.5717 52 T 3.9419 8.0712 115.7709 66.9364 68.1843 176.3453 53 Q 3.9099 7.7082 119.6197 59.5689 28.6963 179.6340 54 Q 4.1735 7.8979 117.9837 58.7897 28.7489 177.8632 55 Q 4.0145 8.2815 120.4775 58.6410 28.4485 178.4609 56 S 4.2171 7.9857 114.2491 61.8197 63.0305 176.3615 57 A 3.9548 7.9560 124.3993 54.7713 17.8734 179.9078 58 G 3.5745 7.9190 104.2357 47.7417 0.0000 176.1973 59 V 3.7306 8.3284 121.1023 65.9514 31.5881 177.9774 60 Q 3.9779 9.4610 120.3459 59.1712 28.9264 178.1672 61 R 4.2565 7.9720 118.7581 59.5991 29.5442 178.7393 62 C 4.2659 7.9255 116.3732 62.4082 27.9131 175.9711 63 L 4.1019 7.7800 120.0894 57.4653 41.1926 178.8617 64 E 4.0844 8.7385 119.1538 59.0508 29.1468 178.9590 65 L 3.9560 7.8038 119.9808 57.9962 41.9492 177.6228 66 L 4.3852 7.6975 115.4951 54.3461 41.5825 177.9205 67 N 4.5324 7.9218 114.2445 53.1617 37.1976 174.9853 68 G 3.6753 7.3821 107.0736 45.0762 0.0000 174.1408 69 S 4.2799 8.3543 117.9168 57.6812 64.1217 173.5009 70 I 3.9404 7.6794 121.3161 58.9924 37.4890 173.7963 71 P 4.1474 0.0000 0.0000 62.1189 32.1342 175.7284 72 T 4.3788 8.2716 111.4737 59.7435 69.9992 174.5665 73 A 4.0769 8.6647 128.9874 52.6321 18.8948 176.4337 74 K 4.6435 8.4256 120.4524 54.4054 34.6753 176.6167 75 G 3.8011 8.2890 110.9601 44.9983 0.0000 173.2979 *93 T 4.1625 8.0207 109.9233 61.5378 69.8425 174.0592 94 D 4.4638 8.4562 121.6194 54.9207 41.5616 177.9989 95 E 4.0261 8.1758 117.8230 59.6511 29.3647 179.2199 96 V 3.6926 7.6489 119.9052 64.6947 31.4828 178.0692 97 T 3.6328 7.4723 113.3052 64.6006 67.2669 175.6509 98 K 4.2715 7.8313 118.9811 57.9157 32.2848 179.4003 99 G 3.5990 7.6710 106.9217 47.5746 0.0000 176.1509 100 V 4.0397 7.8551 120.4542 65.2466 31.4805 178.5107 101 G 3.6162 7.6418 104.8528 47.8420 0.0000 176.0314 102 I 3.8798 7.8704 122.6379 63.9290 37.2058 178.5395 103 S 4.1942 8.6527 116.6059 61.9894 62.5777 176.2914 104 Y 4.1748 8.0172 121.9292 60.6212 38.4908 177.6805 105 A 3.9747 8.2127 121.7640 55.1152 18.5152 179.4209 106 F 3.9720 8.7115 119.6282 61.4103 39.6033 177.1949 107 E 4.2894 8.3459 117.4493 59.0066 29.1775 178.5324 108 H 4.2438 7.6323 116.3407 57.3997 29.1334 177.0419 109 L 3.7425 7.8600 122.7563 58.1868 41.7113 178.9200 110 E 3.7179 8.1813 118.4648 60.0297 29.4270 178.6848 111 I 3.5859 7.5710 118.0670 64.7179 37.1248 177.6660 112 A 3.9065 8.2709 120.6533 55.7809 18.4026 179.9469 113 S 3.7421 7.7878 113.0997 61.9876 62.8269 176.7136 114 Y 4.1716 8.1668 119.6745 60.7721 37.2344 178.3734 115 R 3.9307 8.4934 119.4511 59.4261 30.4154 178.8808 116 A 4.1704 7.9612 119.5390 54.2739 18.1830 179.6820 117 L 4.1933 7.8989 118.3198 57.9239 41.8089 179.4626 118 V 3.6285 8.1112 118.2309 65.8959 31.3117 178.2068 119 V 3.7343 7.5452 116.5252 65.6318 31.6846 177.8515 120 A 4.1226 8.3046 119.7320 54.4098 18.1936 179.5517 121 A 4.0926 8.4167 120.1810 55.1959 18.7309 179.7448 122 R 3.8472 7.9685 116.5573 59.6894 30.0193 179.0493 123 S 4.0667 7.9803 111.5092 61.3208 62.3560 174.9739 124 A 4.1693 7.5455 119.1642 51.8372 18.5370 177.4324 125 G 3.9491 8.3951 103.8259 46.7347 0.0000 175.5368 126 E 4.4280 7.8333 121.8735 54.9623 27.9759 176.2442 127 Q 4.1173 8.1365 122.9005 58.3054 29.3039 177.6315 128 E 3.9695 8.1154 119.6647 59.2523 29.6249 179.0336 129 V 3.5992 7.8561 117.6096 66.1202 31.5770 177.6738 130 A 4.0643 7.9328 119.9937 55.1370 18.1504 179.5181 131 Q 3.8387 8.0150 117.7874 59.3806 29.1601 177.9542 132 I 3.6569 7.5575 120.7378 65.1665 37.2536 178.0775 133 C 4.1757 8.2062 116.9337 62.7897 28.0188 176.0585 134 E 4.0734 8.1882 120.2206 58.9650 28.7884 179.0251 135 D 4.3192 7.9834 119.2915 57.1879 41.1566 178.6687 136 I 3.4849 7.7003 120.4205 64.0714 36.9503 178.0515 137 L 3.8239 7.6267 121.0629 58.3760 41.8741 178.9632 138 Q 3.9546 7.9338 119.0344 59.2218 28.6815 178.2469 139 Q 4.0359 7.5496 118.5040 58.7200 28.7680 178.1107 140 E 4.1092 7.7120 118.5835 59.2627 29.7236 179.0510 141 I 3.8306 7.8181 119.8673 64.3218 37.3159 178.0179 142 E 3.9726 8.3064 117.3118 57.8542 29.5352 177.9004 *144 A 4.4221 7.8514 121.4611 52.4137 20.2679 179.3163 145 E 4.1326 8.5616 115.6241 59.3064 29.4178 179.3901 146 W 4.0761 8.2999 128.2208 60.4923 30.8048 178.1273 147 L 4.3284 8.2462 118.5302 57.8332 41.1269 178.7363 148 I 3.7301 7.5972 116.0271 62.5584 37.9842 177.3281 149 E 4.0834 7.4757 118.1626 59.7757 29.9215 178.0388 150 H 4.0926 7.5510 113.9040 56.8091 28.5964 177.3072 151 Q 3.8405 7.6607 122.4206 59.2398 28.9738 177.4750 152 E 3.8496 8.1665 119.4588 59.4746 29.4487 178.6241 153 A 4.0291 7.8481 120.0173 55.1940 18.6209 179.4753 154 I 3.7160 7.5288 118.4360 64.3658 37.0779 178.8456 155 V 3.5674 7.8758 119.0340 65.9610 31.3542 178.1241 156 V 3.5996 7.8833 117.6104 66.1848 31.4630 177.6427 157 A 4.0534 8.4614 120.7820 55.2098 18.0713 179.3490 158 F 4.1054 8.3144 118.7851 61.4349 39.5126 177.2887 159 L 4.0032 8.2262 118.4847 58.0897 41.3101 179.3198 160 E 3.9567 8.2912 117.4303 59.4289 29.4961 179.3543 161 R 3.9132 8.0065 118.6487 59.2231 29.9550 178.1080 162 E 3.7748 7.9087 118.4632 58.7234 29.6154 177.5744 163 Q 4.4622 7.4472 114.3840 55.6919 29.1443 175.2491 164 L 4.0600 7.3658 126.3685 56.1978 41.9894 176.5339 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 4 G 8.21 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 0.00 0.00 0.00 5 Q 9.15 3.79 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 6 S 8.09 3.96 0.00 4.04 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 7 R 7.84 3.81 0.00 1.86 1.92 0.00 3.14 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 8 E 8.00 4.25 0.00 2.26 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 2.28 2.30 0.00 9 R 7.75 3.59 0.00 1.58 1.65 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.57 0.00 10 L 7.54 3.83 0.00 1.90 1.78 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.16 3.58 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 0.91 0.00 0.00 1.01 0.00 0.00 12 K 7.62 3.85 0.00 1.95 1.66 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.58 7.81 13 W 8.23 4.55 0.00 3.43 3.04 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 14 L 8.64 4.11 0.00 1.92 1.79 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.38 4.08 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 16 D 7.79 4.39 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 17 A 7.68 4.00 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 18 Y 8.27 4.19 0.00 3.25 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 19 A 7.96 4.12 1.48 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 0.00 0.00 *21 E 8.24 4.36 0.00 2.07 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 2.65 2.39 0.00 22 K 7.52 3.92 0.00 1.86 1.78 0.00 1.54 0.00 0.00 1.39 0.00 0.00 2.21 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.30 1.39 7.81 23 E 8.06 3.88 0.00 1.99 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 1.96 2.20 0.00 24 A 7.85 3.73 1.46 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 0.00 0.00 0.00 25 E 7.98 4.01 0.00 1.94 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 0.00 2.27 2.30 0.00 26 T 7.50 4.09 4.17 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 1.16 0.00 0.00 *29 A 7.79 4.31 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 30 A 7.38 4.58 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 *32 A 8.04 4.17 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 33 S 7.56 4.25 0.00 3.84 3.94 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 34 R 7.81 4.31 0.00 1.81 1.99 0.00 3.20 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 35 I 7.28 4.24 1.93 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 1.43 0.54 1.10 0.00 0.00 36 E 8.83 4.51 0.00 1.44 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 2.16 2.39 0.00 37 H 8.07 4.80 0.00 2.36 2.70 0.00 5.66 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 38 Y 7.36 4.84 0.00 3.05 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 39 P 0.00 4.27 0.00 2.22 2.16 0.00 3.67 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 2.15 2.18 0.00 40 E 8.34 4.03 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.82 0.00 41 L 8.55 3.98 0.00 2.10 1.86 0.80 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.69 3.79 0.00 1.91 1.86 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.47 7.81 43 R 8.27 3.83 0.00 2.17 2.04 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 44 R 7.81 3.46 0.00 0.67 0.87 0.00 2.85 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 45 I 7.40 3.58 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.86 0.00 0.00 46 E 8.04 3.88 0.00 2.13 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 2.30 2.29 0.00 47 Q 7.72 3.96 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 48 H 7.95 4.71 0.00 3.20 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.90 3.53 2.19 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 0.93 0.00 0.00 0.94 0.00 0.00 50 E 7.75 4.23 0.00 2.17 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 2.29 2.32 0.00 51 E 8.03 3.94 0.00 2.21 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 2.34 2.36 0.00 52 T 8.07 3.94 4.33 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 1.25 0.00 0.00 53 Q 7.71 3.91 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 54 Q 7.90 4.17 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 55 Q 8.28 4.01 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 56 S 7.99 4.22 0.00 3.43 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 57 A 7.96 3.95 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 58 G 7.92 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 59 V 8.33 3.73 2.51 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 1.22 0.00 0.00 1.20 0.00 0.00 60 Q 9.46 3.98 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 61 R 7.97 4.26 0.00 2.11 2.00 0.00 3.19 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 62 C 7.93 4.27 0.00 3.23 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 63 L 7.78 4.10 0.00 1.70 1.83 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.74 4.08 0.00 1.95 1.98 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 2.30 2.39 0.00 65 L 7.80 3.96 0.00 1.64 1.92 0.92 0.85 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 66 L 7.70 4.39 0.00 1.76 1.63 0.96 0.71 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 67 N 7.92 4.53 0.00 2.92 2.99 0.00 0.00 6.86 7.53 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 68 G 7.38 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 69 S 8.35 4.28 0.00 3.94 3.86 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 0.00 0.00 0.00 70 I 7.68 3.94 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.12 0.23 0.00 0.00 71 P 0.00 4.15 0.00 2.24 2.09 0.00 3.16 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 72 T 8.27 4.38 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 73 A 8.66 4.08 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 74 K 8.43 4.64 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.41 7.81 75 G 8.29 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 *93 T 8.02 4.16 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 1.26 0.00 0.00 94 D 8.46 4.46 0.00 2.81 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 95 E 8.18 4.03 0.00 2.20 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 0.00 2.39 2.34 0.00 96 V 7.65 3.69 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 0.90 0.00 0.00 0.95 0.00 0.00 97 T 7.47 3.63 3.77 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 0.83 0.00 0.00 98 K 7.83 4.27 0.00 1.73 1.79 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.53 7.81 99 G 7.67 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 0.00 100 V 7.86 4.04 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 1.01 0.00 0.00 0.93 0.00 0.00 101 G 7.64 3.62 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 0.00 0.00 0.00 102 I 7.87 3.88 1.89 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 1.54 0.98 0.94 0.00 0.00 103 S 8.65 4.19 0.00 4.12 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.02 4.17 0.00 3.15 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 0.00 105 A 8.21 3.97 1.46 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 0.00 0.00 0.00 106 F 8.71 3.97 0.00 3.14 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 0.00 107 E 8.35 4.29 0.00 2.15 1.92 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 2.72 2.56 0.00 108 H 7.63 4.24 0.00 3.10 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.86 3.74 0.00 1.45 1.24 0.74 0.62 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 0.00 110 E 8.18 3.72 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 111 I 7.57 3.59 1.94 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.88 0.00 0.00 112 A 8.27 3.91 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 0.00 113 S 7.79 3.74 0.00 3.52 3.50 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 0.00 114 Y 8.17 4.17 0.00 3.05 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 0.00 115 R 8.49 3.93 0.00 1.95 1.98 0.00 3.11 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 1.66 1.82 0.00 116 A 7.96 4.17 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 0.00 117 L 7.90 4.19 0.00 2.03 1.88 0.97 0.68 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 0.00 118 V 8.11 3.63 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 1.08 0.00 0.00 1.08 0.00 0.00 119 V 7.55 3.73 2.33 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 1.03 0.00 0.00 1.00 0.00 0.00 120 A 8.30 4.12 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 4.09 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 0.00 122 R 7.97 3.85 0.00 1.98 2.02 0.00 3.18 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 123 S 7.98 4.07 0.00 3.85 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 0.00 124 A 7.55 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 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 0.00 126 E 7.83 4.43 0.00 2.01 1.92 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 2.26 2.47 0.00 127 Q 8.14 4.12 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 128 E 8.12 3.97 0.00 2.06 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 2.40 2.43 0.00 129 V 7.86 3.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.95 0.00 0.00 130 A 7.93 4.06 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 0.00 131 Q 8.02 3.84 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 132 I 7.56 3.66 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.71 0.93 0.00 0.00 133 C 8.21 4.18 0.00 3.21 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 0.00 134 E 8.19 4.07 0.00 2.15 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 2.34 2.48 0.00 135 D 7.98 4.32 0.00 2.83 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 0.00 136 I 7.70 3.48 1.15 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 -0.15 0.00 0.00 137 L 7.63 3.82 0.00 1.82 1.77 0.93 0.52 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 0.00 138 Q 7.93 3.95 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 139 Q 7.55 4.04 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 140 E 7.71 4.11 0.00 2.07 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 0.00 2.47 2.57 0.00 141 I 7.82 3.83 2.00 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 1.37 0.63 0.92 0.00 0.00 142 E 8.31 3.97 0.00 2.20 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 0.00 2.36 2.51 0.00 *144 A 7.85 4.42 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 0.00 145 E 8.56 4.13 0.00 2.40 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 2.41 2.49 0.00 146 W 8.30 4.08 0.00 3.59 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 0.00 147 L 8.25 4.33 0.00 2.01 1.87 1.13 0.80 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 0.00 148 I 7.60 3.73 1.65 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.34 1.01 0.00 0.00 149 E 7.48 4.08 0.00 1.80 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 2.25 2.46 0.00 150 H 7.55 4.09 0.00 2.68 2.96 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.66 3.84 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 152 E 8.17 3.85 0.00 2.00 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 2.35 2.36 0.00 153 A 7.85 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 0.00 154 I 7.53 3.72 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.16 0.26 0.00 0.00 155 V 7.88 3.57 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 1.01 0.00 0.00 0.86 0.00 0.00 156 V 7.88 3.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 157 A 8.46 4.05 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 0.00 158 F 8.31 4.11 0.00 3.45 3.39 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 0.00 159 L 8.23 4.00 0.00 1.97 1.75 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.29 3.96 0.00 1.90 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 2.35 2.48 0.00 161 R 8.01 3.91 0.00 1.93 1.91 0.00 2.94 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 162 E 7.91 3.77 0.00 1.34 1.81 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 2.23 2.21 0.00 163 Q 7.45 4.46 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.22 0.00 164 L 7.37 4.06 0.00 1.76 1.55 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.