NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8523 8.5245 118.1309 53.2316 39.8476 174.4048 3 L 4.2251 7.6591 119.2873 54.8659 42.6444 177.2037 4 P 4.5200 0.0000 0.0000 62.8880 32.7095 176.5314 5 T 4.2421 8.7159 113.0202 60.7410 71.0471 175.6956 6 A 4.0126 8.5114 122.6421 55.7975 18.2540 179.9605 7 Q 3.9351 8.0114 115.7039 59.1302 28.7650 178.7757 8 E 3.9349 7.8906 119.6427 58.9566 29.3602 179.5089 9 V 3.1069 7.8278 118.7773 65.9651 31.6161 177.9936 10 Q 4.0825 8.1656 117.9359 58.9513 28.4882 179.3340 11 G 3.5298 7.9555 106.5343 47.8098 0.0000 175.7780 12 L 3.9359 8.0830 122.2316 57.7645 41.5447 179.6296 13 M 4.2457 8.4897 118.8087 58.1446 31.9557 178.7106 14 A 4.0382 8.2340 121.2529 54.8927 18.4685 179.6281 15 R 3.7772 8.2065 117.4348 59.7237 30.2102 177.8420 16 Y 3.9932 8.0924 119.2834 61.0423 38.6183 178.4266 17 I 3.5271 7.7033 119.9554 64.2804 37.1856 178.2402 18 E 3.9153 8.0433 119.2714 59.4624 29.2427 179.4835 19 L 3.9082 7.9424 119.0471 57.6556 41.4018 179.7518 20 V 3.3620 7.1924 117.2981 65.9376 31.5016 177.2875 21 D 4.4132 8.1220 117.1615 57.1956 41.1206 178.0880 22 V 3.9461 7.6668 111.6758 61.5427 31.7943 176.9526 23 G 3.6983 7.9921 106.2659 46.4742 0.0000 174.1945 24 D 4.5537 7.7472 120.3682 52.6037 40.6103 176.0365 25 I 3.6301 7.9653 127.7466 64.0778 37.4028 177.7516 26 E 3.9596 8.1521 118.7071 59.4354 29.1422 179.1747 27 A 4.0068 8.3500 119.8788 55.0099 18.6673 179.5249 28 I 3.6886 7.6527 118.3266 64.6237 37.1999 178.7221 29 V 3.8263 8.0837 119.3697 66.3798 31.0601 178.0193 30 Q 4.1738 7.9810 116.5921 58.8845 28.7370 178.2675 31 M 4.2535 8.2955 119.6929 56.9048 31.9164 176.1025 32 Y 4.6731 7.3809 116.0564 57.1016 39.3901 174.8943 33 A 4.6443 8.5479 124.9683 50.8917 20.4219 178.4103 34 D 4.4256 8.8129 119.7468 57.2495 40.8986 177.7567 35 D 4.7410 7.9608 114.9045 52.7842 40.0737 176.1208 36 A 5.2278 8.1530 122.5157 52.5158 19.7907 177.1735 37 T 4.9865 8.4921 108.9031 59.8113 72.7457 172.7647 38 V 4.7580 8.7101 123.4955 61.2287 34.7631 174.0527 39 E 4.7448 9.1727 127.0998 54.6859 32.0047 174.5723 40 D 4.9895 8.1897 124.7299 52.1822 43.6802 172.8764 41 P 4.5550 0.0000 0.0000 61.8428 32.8870 175.7399 42 F 4.0994 8.5006 124.6875 59.5574 39.5812 174.8723 43 G 3.5660 7.5605 115.0495 45.5629 0.0000 173.9627 44 Q 4.3117 7.2411 118.3409 53.2629 30.1438 173.7899 45 P 4.1813 0.0000 0.0000 62.7144 31.5257 174.3383 46 P 4.5037 0.0000 0.0000 62.8738 32.1971 175.5315 47 I 4.4900 8.7698 125.2796 59.9251 39.0044 174.5403 48 H 5.2987 8.0155 121.1880 53.2080 32.2004 173.1743 49 G 4.0828 8.8089 106.7423 47.5643 0.0000 174.4285 50 R 3.8887 8.8691 123.5610 59.4833 30.0827 178.5265 51 E 3.9500 8.2185 118.3152 59.5187 29.4377 178.8181 52 Q 3.9738 7.9508 117.3479 59.1418 28.9719 178.6565 53 I 3.6935 8.1526 121.0199 64.2010 37.0788 178.4301 54 A 4.1747 8.7780 121.9173 55.1590 18.3499 179.5799 55 A 4.0179 8.3763 119.5221 55.0140 17.9592 179.6337 56 F 4.0654 8.3681 119.4289 61.8717 39.4995 177.0744 57 Y 3.9728 8.0476 115.7604 60.4666 37.5819 178.1736 58 R 3.9875 7.9293 120.2469 59.2846 29.9989 178.0935 59 Q 4.0840 7.9337 118.0528 58.0785 29.0807 177.6008 60 G 3.6417 7.2184 104.7585 46.6632 0.0000 175.1426 61 L 4.6273 8.1117 119.5645 54.5691 43.5205 178.1495 62 G 3.7999 7.8254 110.7330 45.0736 0.0000 173.9920 *65 K 4.1479 7.8132 116.7475 55.1727 34.1339 175.2368 66 V 4.0139 7.7440 117.8643 63.9145 32.0334 175.2367 67 R 5.0093 9.0080 125.8038 54.6430 33.8628 174.5358 68 A 5.3998 9.2872 122.8416 51.0532 22.6428 175.5109 69 C 4.8848 8.9839 115.2218 56.3457 33.6939 173.4502 70 L 4.8168 8.6742 120.9515 55.0458 41.8554 177.0450 71 T 4.4914 8.3789 112.2853 60.6105 69.1538 173.8510 72 G 4.0025 7.3151 109.2620 44.6819 0.0000 171.6841 73 P 4.4527 0.0000 0.0000 62.1210 32.0402 176.2569 74 V 3.9217 8.1495 119.8772 63.0993 32.5352 175.4516 75 R 4.5681 9.4176 127.0996 54.8574 31.3863 175.1280 76 A 5.2551 8.5775 125.7754 50.1854 21.9576 175.1641 77 S 4.6800 8.5960 114.5137 56.9678 65.9306 173.7085 78 H 4.8188 8.7419 114.7477 55.8131 28.6964 175.3818 79 N 4.9313 7.7297 117.3858 52.5518 37.6227 175.1745 80 G 3.9966 8.4205 103.7263 47.7087 0.0000 173.1977 81 C 5.4796 7.8107 115.7760 57.9482 32.2406 173.0725 82 G 4.6358 8.9151 106.5650 45.4528 0.0000 171.6794 83 A 5.4935 9.2821 121.8936 50.3962 22.8924 175.2248 84 M 5.2074 9.3565 118.4028 53.2208 35.3818 172.0251 85 P 5.4751 0.0000 0.0000 61.8726 34.0104 174.1569 86 F 5.3997 8.9881 116.6699 56.2434 42.1804 172.4672 87 R 4.9460 9.0641 119.2671 54.4484 33.1807 174.0294 88 V 4.9115 8.8721 125.8005 61.2156 34.2834 173.8002 89 E 5.0738 9.2648 128.2175 55.3103 31.5178 175.0665 90 M 5.0036 8.5036 121.6881 54.4869 34.7394 173.2686 91 V 4.8560 8.4313 117.1313 61.2824 34.5386 175.4742 92 W 5.0118 8.9939 135.0000 56.8292 33.6200 174.2769 93 N 3.4340 8.8456 121.6779 54.1674 36.5456 173.8345 94 G 3.7975 8.5902 101.4664 45.5690 0.0000 173.7094 95 Q 4.5264 7.9097 119.0227 52.8449 32.3765 171.9496 96 P 5.0101 0.0000 0.0000 63.3672 32.1216 174.9804 97 C 5.1451 9.2747 117.2997 56.7600 34.1426 172.2724 98 A 5.1595 9.4273 120.2295 49.9893 22.2976 174.8792 99 L 5.0143 8.7348 122.8481 53.3042 45.2583 174.8718 100 D 5.0344 8.7937 126.9173 53.3931 41.8880 176.1506 101 V 4.6958 8.4307 122.5867 61.1522 36.0464 173.9924 102 I 5.1585 8.3914 124.4403 59.6920 40.6460 174.3431 103 L 5.2862 9.3929 127.8628 53.2393 44.0441 175.7077 104 V 4.8565 8.9590 123.5067 61.4428 34.2107 174.2183 105 M 5.2157 9.1606 126.6721 53.4227 36.6525 174.1690 106 R 4.8265 8.4899 121.7718 54.7140 32.6820 174.8649 107 F 5.0814 9.3385 125.8074 56.4115 41.4254 175.1170 108 D 5.0272 9.0498 121.1665 51.9040 42.1070 176.7993 109 E 4.1107 8.9154 116.6527 58.6472 29.3197 177.3342 110 H 4.7158 9.3336 116.0008 55.0811 29.5277 175.1045 111 G 3.9212 8.4657 107.7052 45.8771 0.0000 173.6700 112 R 4.8757 7.9252 117.6195 53.7198 32.7431 175.4015 113 I 3.5472 8.4586 122.5833 61.9131 37.4104 176.5231 114 Q 4.2875 9.4258 129.7517 58.0599 30.5435 175.6014 115 T 5.1305 7.5282 107.7165 60.1005 72.7024 172.4033 116 M 5.0697 9.0392 123.7253 53.9365 35.5750 173.9095 117 Q 4.9961 9.4655 124.8596 54.2362 32.6611 174.1749 118 A 5.3036 8.9453 127.2500 50.6297 21.1405 174.8819 119 Y 4.7797 9.1394 121.6021 56.8185 39.4732 175.3495 120 W 4.6516 8.2312 121.1916 57.1022 30.3458 173.4553 121 S 4.3682 8.6193 114.5643 57.2637 65.7213 174.4784 122 E 3.9743 8.9426 118.5708 59.9018 29.1496 180.1732 123 V 3.6908 7.4258 110.6923 63.9496 31.7806 176.5720 124 N 4.7553 8.5738 116.8237 52.9303 38.5299 173.5396 125 L 5.0899 7.6220 121.3207 53.3677 44.0863 175.9977 126 S 4.6722 9.2022 120.4093 56.9028 66.0241 173.9252 127 V 4.3012 8.4692 127.5904 60.4591 34.3279 176.8973 *128 R 4.1274 8.3261 117.8750 56.7477 29.9981 171.2230 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 N 8.52 4.85 0.00 2.75 2.94 0.00 0.00 6.75 6.97 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 3 L 7.66 4.23 0.00 1.74 1.56 0.92 0.65 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 4 P 0.00 4.52 0.00 1.88 1.84 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 5 T 8.72 4.24 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 6 A 8.51 4.01 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 7 Q 8.01 3.94 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 7.89 3.93 0.00 2.04 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 2.27 2.26 0.00 9 V 7.83 3.11 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 1.18 0.00 0.00 0.89 0.00 0.00 10 Q 8.17 4.08 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 11 G 7.96 3.53 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 0.00 12 L 8.08 3.94 0.00 1.19 1.45 0.20 0.77 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 13 M 8.49 4.25 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.80 0.00 14 A 8.23 4.04 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 15 R 8.21 3.78 0.00 1.93 2.22 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 16 Y 8.09 3.99 0.00 3.06 3.15 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 17 I 7.70 3.53 1.99 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.75 0.85 0.00 0.00 18 E 8.04 3.92 0.00 2.18 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 2.31 2.58 0.00 19 L 7.94 3.91 0.00 1.58 1.54 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.19 3.36 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 0.77 0.00 0.00 0.31 0.00 0.00 21 D 8.12 4.41 0.00 2.87 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 22 V 7.67 3.95 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 0.81 0.00 0.00 0.97 0.00 0.00 23 G 7.99 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 24 D 7.75 4.55 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.63 1.88 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 1.67 0.69 0.98 0.00 0.00 26 E 8.15 3.96 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 2.40 2.33 0.00 27 A 8.35 4.01 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 28 I 7.65 3.69 1.66 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.58 0.24 0.00 0.00 29 V 8.08 3.83 2.27 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 1.12 0.00 0.00 1.05 0.00 0.00 30 Q 7.98 4.17 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 31 M 8.30 4.25 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.61 0.00 32 Y 7.38 4.67 0.00 3.22 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 33 A 8.55 4.64 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 34 D 8.81 4.43 0.00 2.71 2.79 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 35 D 7.96 4.74 0.00 2.79 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 36 A 8.15 5.23 1.66 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 0.00 0.00 37 T 8.49 4.99 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 1.21 0.00 0.00 38 V 8.71 4.76 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.66 0.00 0.00 39 E 9.17 4.74 0.00 1.99 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 0.00 2.13 2.19 0.00 40 D 8.19 4.99 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 41 P 0.00 4.55 0.00 1.24 0.49 0.00 3.70 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 1.65 1.13 0.00 42 F 8.50 4.10 0.00 2.25 2.30 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 43 G 7.56 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 44 Q 7.24 4.31 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 45 P 0.00 4.18 0.00 2.11 2.01 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 46 P 0.00 4.50 0.00 1.92 1.98 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 47 I 8.77 4.49 1.55 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 0.75 0.00 0.00 48 H 8.02 5.30 0.00 3.08 3.17 0.00 5.11 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.81 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 50 R 8.87 3.89 0.00 1.88 2.04 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 51 E 8.22 3.95 0.00 2.04 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 2.39 2.43 0.00 52 Q 7.95 3.97 0.00 2.44 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 53 I 8.15 3.69 1.90 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.13 0.65 0.00 0.00 54 A 8.78 4.17 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 55 A 8.38 4.02 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 56 F 8.37 4.07 0.00 3.00 3.05 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 57 Y 8.05 3.97 0.00 3.17 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 58 R 7.93 3.99 0.00 2.08 2.07 0.00 3.11 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 59 Q 7.93 4.08 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 60 G 7.22 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.63 0.00 1.71 1.72 0.94 0.87 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 62 G 7.83 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 *65 K 7.81 4.15 0.00 1.75 1.87 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 66 V 7.74 4.01 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 0.89 0.00 0.00 0.96 0.00 0.00 67 R 9.01 5.01 0.00 1.74 1.78 0.00 3.34 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 68 A 9.29 5.40 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 69 C 8.98 4.88 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.67 4.82 0.00 1.60 1.84 0.95 0.95 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 71 T 8.38 4.49 4.27 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 1.28 0.00 0.00 72 G 7.32 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 73 P 0.00 4.45 0.00 2.20 2.08 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.15 3.92 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 0.86 0.00 0.00 0.96 0.00 0.00 75 R 9.42 4.57 0.00 1.94 1.84 0.00 3.29 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 76 A 8.58 5.26 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 77 S 8.60 4.68 0.00 3.83 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 78 H 8.74 4.82 0.00 3.18 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.73 4.93 0.00 2.79 2.88 0.00 0.00 6.87 8.30 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 80 G 8.42 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 81 C 7.81 5.48 0.00 2.87 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 82 G 8.92 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.28 5.49 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 84 M 9.36 5.21 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 85 P 0.00 5.48 0.00 2.18 2.24 0.00 3.91 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 86 F 8.99 5.40 0.00 3.26 3.17 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 87 R 9.06 4.95 0.00 1.88 1.79 0.00 3.04 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 88 V 8.87 4.91 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 1.08 0.00 0.00 1.08 0.00 0.00 89 E 9.26 5.07 0.00 1.92 1.85 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 2.25 2.24 0.00 90 M 8.50 5.00 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 91 V 8.43 4.86 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 0.85 0.00 0.00 0.94 0.00 0.00 92 W 8.99 5.01 0.00 3.31 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 93 N 8.85 3.43 0.00 1.44 1.85 0.00 0.00 7.14 7.98 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 94 G 8.59 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 95 Q 7.91 4.53 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 96 P 0.00 5.01 0.00 2.13 2.07 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 97 C 9.27 5.15 0.00 3.16 3.17 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 98 A 9.43 5.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.73 5.01 0.00 1.47 1.21 0.69 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.79 5.03 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.70 0.67 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 1.24 0.00 0.00 0.47 0.00 0.00 102 I 8.39 5.16 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 0.91 0.00 0.00 103 L 9.39 5.29 0.00 1.83 1.62 0.85 1.03 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 0.00 104 V 8.96 4.86 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 1.03 0.00 0.00 0.90 0.00 0.00 105 M 9.16 5.22 0.00 1.21 1.62 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 106 R 8.49 4.83 0.00 1.81 1.68 0.00 3.08 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 107 F 9.34 5.08 0.00 3.01 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 0.00 108 D 9.05 5.03 0.00 2.78 2.88 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 0.00 109 E 8.92 4.11 0.00 1.75 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 2.28 2.37 0.00 110 H 9.33 4.72 0.00 3.24 3.32 0.00 5.71 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 0.00 111 G 8.47 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 0.00 0.00 0.00 112 R 7.93 4.88 0.00 2.13 2.01 0.00 3.17 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 113 I 8.46 3.55 1.08 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.45 0.53 0.00 0.00 114 Q 9.43 4.29 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 115 T 7.53 5.13 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 116 M 9.04 5.07 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 117 Q 9.47 5.00 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 118 A 8.95 5.30 1.66 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 0.00 0.00 119 Y 9.14 4.78 0.00 3.01 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 0.00 120 W 8.23 4.65 0.00 3.37 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.62 4.37 0.00 3.93 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 0.00 122 E 8.94 3.97 0.00 2.07 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 2.36 2.38 0.00 123 V 7.43 3.69 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 0.67 0.00 0.00 0.96 0.00 0.00 124 N 8.57 4.76 0.00 3.06 2.99 0.00 0.00 6.35 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 0.00 125 L 7.62 5.09 0.00 1.52 1.61 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.20 4.67 0.00 3.83 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 0.00 127 V 8.47 4.30 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 0.83 0.00 0.00 1.10 0.00 0.00 *128 R 8.33 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.