NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2060 8.3144 121.7892 55.8053 33.0618 175.0632 2 E 3.8822 8.7137 128.2473 54.3598 30.1829 175.5487 3 T 4.2416 8.7448 118.6933 61.0830 72.1854 174.9273 4 A 3.9759 8.5255 123.7221 55.3450 18.4627 179.8131 5 A 3.9704 8.0934 118.5090 55.5208 18.3920 179.6294 6 A 4.0144 8.2743 119.2538 54.9483 18.3282 179.8055 7 K 3.9846 8.3769 118.4553 59.6461 32.2813 178.6152 8 F 4.1123 8.6611 121.3549 61.6302 39.3183 176.9270 9 E 3.9802 8.4124 118.0162 59.4400 29.0075 179.4127 10 R 3.8627 8.0685 118.1603 59.3209 30.2324 178.1093 11 Q 4.0479 8.0012 116.8652 57.5236 28.9943 176.2949 12 H 4.6402 7.9134 114.0648 55.1498 30.7549 173.3328 13 M 4.4137 7.5316 119.8846 53.9521 33.6104 176.6641 14 D 4.7024 8.2174 124.1994 52.2752 41.6526 175.1409 15 S 4.2002 7.9705 115.0369 60.6526 63.6205 176.0972 16 G 3.9294 8.9018 112.0128 45.9757 0.0000 173.1037 17 N 4.8835 7.7500 116.9654 52.9607 39.0421 174.7312 18 S 4.1883 8.1303 112.6468 58.0324 63.2272 173.4009 19 P 4.3802 0.0000 0.0000 63.1590 31.5205 176.4219 20 S 3.9887 7.2882 114.4061 59.6052 62.6587 173.6310 21 S 4.6393 8.6254 120.3711 58.2926 62.5326 173.9374 22 S 5.0898 7.7158 115.6883 56.2565 60.4094 171.7078 23 S 4.7640 7.8726 116.4187 57.5631 69.8652 175.1302 24 N 4.8122 8.0201 115.7417 53.4415 39.3324 175.1606 25 Y 3.9765 8.0035 121.0503 61.9375 38.7732 177.2970 26 C 4.0434 8.2741 116.4149 60.2202 40.2302 175.8047 27 N 4.3922 8.2449 115.8499 56.5906 38.2075 176.7363 28 Q 4.0108 7.7831 119.3802 59.5105 29.2513 177.9435 29 M 3.8540 7.3432 118.3353 57.8246 33.3578 178.0238 30 M 4.3144 8.1573 119.8340 55.5930 27.7342 177.3981 *33 R 4.2262 7.3663 114.1957 55.1627 32.5018 175.7459 34 N 4.2571 8.1235 113.2495 54.8576 35.9540 174.5935 35 L 4.6546 8.3362 115.8678 54.8660 41.9946 177.8427 36 T 5.4632 7.5680 105.3523 60.2245 69.9127 175.0217 37 K 4.2569 8.4810 122.9070 59.7542 32.2718 177.7083 38 D 4.6664 7.9272 116.0723 55.1633 42.4060 176.1944 39 R 3.6571 7.1304 113.1022 54.8754 31.8427 174.4577 40 C 4.7884 8.5676 116.7033 55.7090 40.2595 173.9681 41 K 4.1493 8.4932 126.9872 56.0047 32.6335 174.7780 42 P 4.5952 0.0000 0.0000 65.3961 32.2908 176.4464 43 V 5.0135 7.5389 116.2479 61.6437 34.9217 173.6871 44 N 4.7035 8.9185 123.1393 52.8047 42.7279 173.0227 45 T 4.7448 7.7293 120.7753 61.5641 71.5080 173.2825 46 F 4.6633 8.9214 124.0372 55.5838 42.0616 174.5167 47 V 4.5046 8.4308 122.1972 61.4628 33.2603 174.7454 48 H 4.9386 8.8193 123.6178 55.8208 29.4282 174.8574 49 E 4.4572 7.9893 119.2057 54.8208 31.2029 176.4052 50 S 4.4106 8.1835 114.5983 58.2177 65.0928 174.8822 51 L 3.9762 8.4665 123.9360 58.1599 41.9657 179.0217 52 A 3.9753 7.9942 120.4260 55.4233 18.1422 179.2229 53 D 4.3686 8.0324 116.2785 57.1727 41.2444 178.9592 54 V 3.7436 7.8136 119.0247 66.1168 31.4693 178.1248 55 Q 3.9830 8.8193 117.9642 58.9100 28.4664 178.7217 56 A 3.9846 8.0220 121.4514 54.8554 18.2706 179.5698 57 V 3.4907 7.6348 116.5196 66.3421 31.2155 177.1395 58 C 3.9851 7.6993 114.7400 58.4142 39.9908 174.7785 59 S 4.4816 8.1254 115.8535 57.5924 63.3493 174.0221 60 Q 4.6299 8.3522 121.4191 55.7916 29.9664 178.7951 61 K 4.2971 8.2044 135.0000 56.2060 32.7018 174.1505 62 N 4.4719 8.8137 127.4833 53.7658 39.3949 174.3141 63 V 4.5972 8.2036 118.1149 59.1853 36.3291 175.0959 64 A 4.0275 8.4033 125.2060 52.2468 19.0591 178.6699 65 C 4.6589 8.6653 119.7651 56.3230 41.1012 175.0894 66 K 3.7698 9.6502 122.8525 59.8054 31.6790 177.9510 67 N 4.5914 8.1063 112.8507 52.7011 37.3204 176.0170 68 G 3.9324 8.5877 107.9353 45.7950 0.0000 174.3988 69 Q 4.1799 8.8549 119.5291 56.3445 29.2122 176.6570 70 T 4.4811 8.3154 108.5572 61.7023 69.4013 174.4036 71 N 5.0584 7.7738 119.6645 53.5606 38.3698 174.7252 72 C 5.4559 7.8374 115.8425 56.6994 44.3464 172.8591 73 Y 5.1439 8.9917 119.2801 56.2625 42.3859 173.8996 74 Q 5.0859 9.0686 124.2953 54.0036 31.6363 174.9283 75 S 4.5142 8.5288 121.6324 58.5684 63.2860 174.2238 76 Y 4.3352 8.8264 121.4305 60.8876 37.9031 176.9259 77 S 4.7985 7.8507 113.8918 57.1620 64.6178 173.8201 78 T 4.1918 8.0753 112.5894 62.0238 69.8634 173.4253 79 M 5.0214 9.0301 121.2829 53.3356 36.8599 174.7550 80 S 4.7799 9.6324 117.3214 58.3284 63.6782 173.1460 81 I 5.1413 8.9772 119.9237 59.7480 41.9041 174.0749 82 T 5.0805 8.7463 118.5383 62.1189 72.1628 172.8279 83 D 5.2009 9.1716 127.0103 53.1180 43.3573 174.8522 84 C 5.5634 9.3100 120.4448 55.3103 38.9096 173.2542 85 R 5.4071 8.7489 121.7057 53.9763 33.8334 174.8875 86 E 4.1888 8.7472 122.7576 57.0900 30.2538 177.4231 87 T 4.2498 8.7317 114.9358 60.6394 70.7558 175.8445 88 G 3.5391 8.6944 109.9887 48.2190 0.0000 174.6076 89 S 4.4900 7.4554 111.0124 57.9651 63.5181 174.1194 90 S 4.1330 7.5421 117.8811 58.1525 62.7527 173.2142 91 K 4.4270 8.7021 128.4867 55.1953 34.3091 174.3027 92 Y 4.2812 8.7734 127.6910 58.0329 38.9192 174.0215 93 P 3.6735 0.0000 0.0000 62.6009 32.0042 176.7139 94 N 4.6386 7.8712 119.9029 52.2487 36.9816 173.7747 95 C 4.6671 8.1459 117.1372 56.2605 38.2971 173.2101 96 A 4.9282 7.6102 122.7041 50.8887 22.2170 174.7384 97 Y 5.2137 9.6125 119.3404 56.0600 42.3063 174.8005 98 K 4.5798 9.4059 124.2089 55.4402 34.2572 175.1818 99 T 4.9939 8.5630 124.0007 62.9774 70.0413 174.4853 100 T 4.5388 8.9255 122.3504 61.9865 72.0072 173.5392 101 Q 4.8024 8.7590 125.2735 55.8890 30.1658 175.0260 102 A 4.4291 8.3344 121.5631 51.7252 23.6909 175.0301 103 N 5.3273 8.7771 116.0414 51.7871 40.9726 174.4531 104 K 4.6718 8.8789 122.3005 55.0043 37.0950 175.1835 105 H 4.8112 8.6818 118.9398 55.6349 30.0590 175.2461 106 I 4.0002 8.4020 124.1590 60.4910 39.5133 174.8840 107 I 4.9134 7.9710 124.4294 59.7249 40.3734 175.1473 108 V 4.6791 8.6336 119.5689 59.2911 35.9730 174.3917 109 A 5.0186 8.7613 125.1319 51.0075 20.6192 175.6971 110 C 5.3418 8.5958 119.5741 55.2813 39.6061 173.1510 111 E 4.6548 8.9175 118.3484 56.7532 33.3996 175.8867 112 G 4.0670 9.4618 108.4604 44.8218 0.0000 171.5922 113 N 4.9730 8.2834 116.4891 50.8181 40.7322 172.5088 114 P 4.2857 0.0000 0.0000 63.2254 31.6630 175.7886 115 Y 5.2312 8.3172 121.1638 57.0284 38.4808 174.5910 116 V 4.5428 8.2615 119.5131 58.2751 36.4437 173.5581 117 P 4.6663 0.0000 0.0000 63.1803 31.1264 176.8203 118 V 4.4601 9.0971 116.2560 61.2781 34.0856 175.3584 119 H 4.8408 7.9129 119.7699 54.6578 33.5269 171.8892 120 F 4.4107 8.6011 128.0896 57.2282 39.0578 174.5457 121 D 4.4847 8.4706 127.4881 56.4843 41.8807 175.5814 122 A 4.6184 6.6929 117.8592 51.7934 22.4691 174.8407 123 S 4.9248 8.3982 112.3856 57.3256 66.1380 174.8030 124 V 3.8191 9.6180 115.0673 60.5616 29.8168 175.5615 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 K 8.31 4.21 0.00 1.72 1.81 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 2 E 8.71 3.88 0.00 2.05 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 2.31 2.37 0.00 3 T 8.74 4.24 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 4 A 8.53 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.09 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 6 A 8.27 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 7 K 8.38 3.98 0.00 1.95 2.06 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 8 F 8.66 4.11 0.00 3.13 3.27 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 9 E 8.41 3.98 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.74 0.00 10 R 8.07 3.86 0.00 1.77 2.06 0.00 3.23 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 11 Q 8.00 4.05 0.00 1.51 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.47 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 12 H 7.91 4.64 0.00 2.03 2.92 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.53 4.41 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 14 D 8.22 4.70 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.97 4.20 0.00 3.90 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 16 G 8.90 3.93 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 0.00 0.00 0.00 17 N 7.75 4.88 0.00 2.68 3.13 0.00 0.00 7.12 7.52 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 18 S 8.13 4.19 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.38 0.00 2.17 2.15 0.00 3.78 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 1.97 1.93 0.00 20 S 7.29 3.99 0.00 3.85 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 21 S 8.63 4.64 0.00 3.91 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 22 S 7.72 5.09 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.87 4.76 0.00 3.85 3.82 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 24 N 8.02 4.81 0.00 2.87 2.77 0.00 0.00 6.79 7.56 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 25 Y 8.00 3.98 0.00 3.16 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 26 C 8.27 4.04 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.24 4.39 0.00 2.83 2.98 0.00 0.00 6.83 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 28 Q 7.78 4.01 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 29 M 7.34 3.85 0.00 0.68 1.09 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.50 0.00 30 M 8.16 4.31 0.00 1.70 1.84 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.36 0.00 *33 R 7.37 4.23 0.00 2.03 2.09 0.00 3.55 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 34 N 8.12 4.26 0.00 2.89 2.94 0.00 0.00 6.96 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 35 L 8.34 4.65 0.00 1.77 1.65 0.84 0.53 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 36 T 7.57 5.46 4.42 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 1.42 0.00 0.00 37 K 8.48 4.26 0.00 1.82 1.97 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.75 7.81 38 D 7.93 4.67 0.00 2.59 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 39 R 7.13 3.66 0.00 1.74 1.72 0.00 2.90 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 40 C 8.57 4.79 0.00 3.07 3.11 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 0.00 0.00 0.00 41 K 8.49 4.15 0.00 1.85 1.78 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.43 7.81 42 P 0.00 4.60 0.00 2.15 2.11 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 43 V 7.54 5.01 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 0.80 0.00 0.00 0.97 0.00 0.00 44 N 8.92 4.70 0.00 2.65 2.25 0.00 0.00 6.98 6.81 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 45 T 7.73 4.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 46 F 8.92 4.66 0.00 3.05 2.99 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 47 V 8.43 4.50 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 0.90 0.00 0.00 1.08 0.00 0.00 48 H 8.82 4.94 0.00 3.08 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.99 4.46 0.00 1.99 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 2.30 2.26 0.00 50 S 8.18 4.41 0.00 4.06 4.01 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 51 L 8.47 3.98 0.00 1.80 1.72 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.99 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.03 4.37 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.81 3.74 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 1.05 0.00 0.00 1.02 0.00 0.00 55 Q 8.82 3.98 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 56 A 8.02 3.98 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 57 V 7.63 3.49 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 1.07 0.00 0.00 0.94 0.00 0.00 58 C 7.70 3.99 0.00 2.90 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 59 S 8.13 4.48 0.00 3.98 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 60 Q 8.35 4.63 0.00 1.72 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 61 K 8.20 4.30 0.00 1.69 1.64 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 62 N 8.81 4.47 0.00 2.75 2.67 0.00 0.00 7.00 7.71 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 63 V 8.20 4.60 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 0.71 0.00 0.00 0.81 0.00 0.00 64 A 8.40 4.03 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 65 C 8.67 4.66 0.00 3.24 2.99 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 66 K 9.65 3.77 0.00 1.84 1.90 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.56 7.81 67 N 8.11 4.59 0.00 2.79 2.89 0.00 0.00 6.12 7.00 0.00 0.00 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 8.59 3.93 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 0.00 0.00 0.00 69 Q 8.85 4.18 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 70 T 8.32 4.48 4.20 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 1.18 0.00 0.00 71 N 7.77 5.06 0.00 3.10 3.18 0.00 0.00 6.06 7.68 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 72 C 7.84 5.46 0.00 2.91 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 73 Y 8.99 5.14 0.00 2.84 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 74 Q 9.07 5.09 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 75 S 8.53 4.51 0.00 3.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.83 4.34 0.00 3.08 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 77 S 7.85 4.80 0.00 3.92 3.82 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 78 T 8.08 4.19 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 79 M 9.03 5.02 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 80 S 9.63 4.78 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.98 5.14 1.95 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 1.32 0.76 0.96 0.00 0.00 82 T 8.75 5.08 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 83 D 9.17 5.20 0.00 2.76 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 84 C 9.31 5.56 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.75 5.41 0.00 1.82 1.83 0.00 3.17 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 86 E 8.75 4.19 0.00 1.86 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 1.81 2.21 0.00 87 T 8.73 4.25 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 1.24 0.00 0.00 88 G 8.69 3.54 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 0.00 89 S 7.46 4.49 0.00 4.01 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 90 S 7.54 4.13 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.70 4.43 0.00 1.80 1.59 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.38 7.81 92 Y 8.77 4.28 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 3.67 0.00 1.71 0.69 0.00 3.60 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 94 N 7.87 4.64 0.00 2.74 2.75 0.00 0.00 7.03 8.11 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 95 C 8.15 4.67 0.00 3.07 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 96 A 7.61 4.93 1.11 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.61 5.21 0.00 2.92 2.84 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 98 K 9.41 4.58 0.00 1.83 1.73 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 99 T 8.56 4.99 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 1.34 0.00 0.00 100 T 8.93 4.54 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 101 Q 8.76 4.80 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 102 A 8.33 4.43 1.22 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 0.00 0.00 103 N 8.78 5.33 0.00 2.55 2.73 0.00 0.00 6.68 7.61 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 0.00 104 K 8.88 4.67 0.00 1.70 1.68 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 105 H 8.68 4.81 0.00 3.07 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.40 4.00 1.84 0.00 0.00 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 1.59 0.96 0.45 0.00 0.00 107 I 7.97 4.91 1.77 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 1.12 0.60 0.83 0.00 0.00 108 V 8.63 4.68 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 0.45 0.00 0.00 0.90 0.00 0.00 109 A 8.76 5.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.60 5.34 0.00 1.91 1.87 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 0.00 111 E 8.92 4.65 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 112 G 9.46 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.28 4.97 0.00 2.66 2.70 0.00 0.00 6.87 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 0.00 114 P 0.00 4.29 0.00 2.24 2.08 0.00 3.83 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 2.01 1.98 0.00 115 Y 8.32 5.23 0.00 2.79 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.26 4.54 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 0.72 0.00 0.00 0.98 0.00 0.00 117 P 0.00 4.67 0.00 1.90 1.93 0.00 3.57 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 1.99 2.03 0.00 118 V 9.10 4.46 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 0.68 0.00 0.00 0.94 0.00 0.00 119 H 7.91 4.84 0.00 3.19 3.07 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.60 4.41 0.00 3.00 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 0.00 121 D 8.47 4.48 0.00 2.60 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 0.00 122 A 6.69 4.62 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 0.00 123 S 8.40 4.92 0.00 3.94 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 9.62 3.82 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 0.74 0.00 0.00 1.09 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.