NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1421 8.2644 123.5834 51.3180 19.9750 175.9103 3 D 4.1812 8.3869 118.7281 54.1135 41.0142 175.6696 4 K 3.9410 9.5339 128.3035 58.9247 33.0932 177.1589 5 E 4.4154 8.6018 117.0000 55.7332 29.8433 176.1794 6 L 3.7797 8.0339 122.1905 55.6440 42.5798 176.0107 7 K 4.6382 8.5375 127.1506 55.8397 33.3539 175.1525 8 F 5.3814 9.4633 126.7525 55.8858 41.9536 174.6781 9 L 5.1184 9.0821 123.8568 53.4985 44.6429 175.2466 10 V 4.6203 8.9796 127.9343 61.5257 33.3304 174.6141 11 V 4.7842 8.7503 129.5733 61.6693 33.4522 173.8357 12 D 4.8133 8.5627 125.4501 53.3027 44.5113 176.5874 13 K 4.0199 8.9477 126.0774 58.5356 32.5657 176.6387 14 F 4.7332 8.5190 118.8138 55.6738 39.6667 175.9840 15 S 4.3018 8.8720 121.2396 61.7602 63.0810 176.9713 16 T 4.0168 7.9972 113.9531 64.4793 67.8355 175.8163 *18 R 4.2880 8.0451 123.2003 56.3847 32.3212 177.9236 19 R 3.8993 8.4725 117.8676 59.4415 30.0438 178.5302 20 I 3.7038 7.9591 119.6928 64.4923 37.1348 178.5861 21 V 3.6265 7.8278 118.3956 66.0133 31.4295 177.7162 22 R 3.8480 8.4627 118.8752 59.4727 29.8380 177.9594 23 N 4.2974 8.5937 117.1796 56.7714 38.9669 176.9034 24 L 4.0129 8.0559 120.3829 57.6464 41.6322 179.4447 25 L 3.9219 8.0456 119.1231 57.6111 41.4325 179.3881 26 K 4.1354 8.1072 120.9161 59.0346 31.8864 178.5009 27 E 3.9492 8.0482 117.8873 59.4155 29.5287 178.6992 28 L 4.3122 7.6428 115.9222 55.1825 41.9482 177.7731 29 G 3.6287 8.1055 107.9717 44.9409 0.0000 173.2818 30 F 4.7378 8.4381 119.8748 55.9558 39.3663 175.6993 31 N 4.8125 8.7230 123.5867 53.5957 40.4955 174.6683 32 N 4.8047 8.0101 117.7534 52.7429 37.8433 172.6136 33 V 5.1286 7.9611 120.9722 60.5959 35.0107 173.7969 34 E 5.0279 9.5080 125.5860 54.6866 33.5667 174.5768 35 E 5.4099 8.8190 119.4380 54.8379 33.3426 175.2739 36 A 4.8174 8.9237 122.6340 50.5899 22.4735 177.0818 37 E 4.2424 9.1630 117.3838 57.2092 30.8122 175.9322 38 D 4.6389 7.5119 118.2453 51.2369 43.2521 175.9744 39 G 3.5544 8.5056 105.4892 47.7684 0.0000 175.9626 40 V 3.5308 7.7101 119.8671 66.0622 31.7609 177.6794 41 D 4.2956 8.7448 118.7900 57.1824 40.5807 178.5651 42 A 3.8451 8.0371 121.2141 55.1911 18.3722 179.2539 43 L 3.8104 8.1157 118.9088 58.2831 41.8589 178.6240 44 N 4.2441 8.1264 116.0454 56.7679 39.3120 176.7030 45 K 4.1684 8.0318 119.6354 59.3751 32.1715 179.2720 46 L 3.8889 8.0393 119.6783 58.0069 41.3688 179.5374 47 Q 4.0311 8.2932 117.9365 58.8048 29.0017 177.7487 48 A 4.1686 7.6735 120.7515 52.6212 18.6002 178.3531 49 G 3.9441 7.2070 102.6491 46.0720 0.0000 173.0658 50 G 3.9094 8.6131 106.8739 45.6081 0.0000 174.3879 51 Y 4.2654 7.8352 116.4218 58.1386 38.3363 175.6955 52 G 4.1176 8.7717 108.9062 45.8564 0.0000 172.5904 53 F 4.6126 7.6602 120.9443 57.0158 43.0090 172.5925 54 V 4.9947 8.3376 125.1177 61.1675 34.8620 174.0611 55 I 5.1535 9.0438 128.2361 59.7486 39.7714 174.5293 56 S 5.1110 9.1253 121.6077 56.4220 65.7855 172.9660 57 D 5.1775 8.5282 124.5859 53.4276 41.9431 175.6476 58 W 4.4921 8.8539 129.9629 59.1168 31.4783 175.3042 59 N 4.7185 7.9587 116.5624 51.6982 39.2722 173.0479 *61 P 4.0727 0.0000 0.0000 63.7798 32.3661 176.9209 62 N 4.3505 8.5811 115.7109 54.5237 37.6395 174.5430 *64 D 4.3811 7.6550 116.9346 52.6294 41.7221 176.3167 65 G 3.4994 8.5761 106.3931 47.7616 0.0000 175.7447 66 L 3.7711 6.8413 121.9794 57.8021 42.0811 178.5360 67 E 3.8220 8.3131 119.3241 58.9631 29.4769 178.3719 68 L 3.8553 7.8925 120.4694 58.0359 42.0466 178.7048 69 L 3.9112 8.0941 120.3561 58.2728 41.9525 179.1160 70 K 3.9717 8.2985 118.6542 59.7252 31.7145 179.5626 71 T 3.8658 8.0318 115.5304 66.5676 68.6891 176.5292 72 I 3.8324 7.9175 121.8231 64.5759 36.9901 178.8185 73 R 4.1778 8.1856 117.1179 58.3393 29.9223 177.9285 74 A 4.4240 7.4305 118.5844 51.2726 19.8876 176.8116 75 D 4.4122 7.3790 117.8864 53.6642 41.8251 176.8250 76 G 3.6427 8.7640 114.3884 47.7861 0.0000 173.9848 77 A 4.5503 8.3530 121.9084 52.1212 19.2351 177.3487 *79 S 4.5358 8.0557 114.4864 58.9720 64.6897 174.4276 80 A 4.4558 7.7727 120.2467 51.0443 19.3889 176.2799 81 L 3.8206 7.8195 118.3174 55.0515 42.5753 175.0326 82 P 4.1932 0.0000 0.0000 62.5429 32.7832 175.6151 83 V 4.3696 8.7921 123.2706 61.5911 34.5341 173.8466 84 L 4.4063 8.7548 133.6154 53.4739 45.6979 174.6290 *86 V 4.1583 8.1565 117.9069 63.7899 32.6160 175.1494 87 T 4.8079 8.2234 121.1722 61.2065 70.8426 174.1280 88 A 4.2751 8.7769 126.8923 54.1420 18.8808 178.0331 89 E 4.1011 8.1641 117.2269 56.8824 29.9696 176.7870 90 A 4.5572 8.3458 125.2786 51.2387 21.1529 176.4044 91 K 4.0548 8.6110 119.3570 56.5621 33.5335 177.5804 92 K 3.5840 8.6441 125.0634 59.7882 31.8969 178.0228 93 E 3.8605 8.1212 118.5890 59.7160 29.4032 178.5780 94 N 4.3157 7.9100 115.6507 56.1544 38.5003 177.3409 95 I 2.6812 7.1252 121.2662 63.9668 36.9958 178.3783 96 I 3.5677 7.6475 120.3131 64.3355 36.9141 178.0526 97 A 4.0029 8.2595 121.4381 55.5120 18.1735 179.6044 98 A 4.2244 8.4398 119.0675 55.1678 18.6062 179.7261 99 A 3.9425 8.2376 119.6894 55.3145 18.2709 179.5433 100 Q 3.9107 8.5581 116.9146 59.3729 29.3185 178.1119 101 A 4.2846 8.1672 119.2018 53.0154 18.4586 177.9912 102 G 3.9798 7.8185 105.2977 44.7719 0.0000 174.0039 103 A 4.1450 8.1306 122.6949 52.6028 18.7327 178.8110 104 S 4.3000 8.9405 118.1067 60.0577 63.3231 174.1701 105 G 4.1232 7.5454 105.4250 46.1189 0.0000 172.5460 106 W 5.1015 8.6672 129.0873 56.0679 33.8923 173.6489 107 V 4.5012 8.1884 126.5640 61.0252 33.9449 174.1292 108 V 4.7250 8.6505 128.1682 62.4121 32.3063 175.3880 109 K 4.6999 8.8915 128.4743 55.0990 32.9909 175.1782 110 P 4.3016 0.0000 0.0000 62.1683 32.3097 175.4894 111 F 5.0533 7.3610 115.4050 54.8968 40.9121 175.5856 112 T 4.3489 8.3301 112.1718 61.0506 71.2472 175.5767 113 A 4.1304 8.6128 123.7486 55.4267 18.3633 179.8925 114 A 3.9718 8.0528 118.6866 55.6031 18.4835 179.7391 115 T 3.7808 8.0745 114.0839 66.6822 68.5133 176.4361 116 L 3.6477 7.6871 121.6195 58.2764 42.0961 178.7296 117 E 3.8704 8.1389 118.3457 59.4772 29.2958 179.1582 118 E 3.9097 8.3936 119.3353 59.2007 29.6494 179.0140 119 K 3.9204 8.0814 118.5608 59.2727 32.0746 179.0814 120 L 3.5881 7.9751 119.5418 57.9145 41.3213 179.1154 121 N 4.0599 7.6128 114.9056 56.3360 38.7617 177.2088 122 K 4.0475 8.0779 119.8147 59.6417 31.9951 179.1030 123 I 3.7287 7.5986 118.6526 64.8191 37.2248 178.0098 124 F 4.7331 7.7024 116.8307 61.7462 38.7677 176.7523 125 E 4.1052 8.5177 120.6882 59.1115 29.2367 177.7386 *126 K 4.1220 7.7227 126.3609 55.0154 32.5627 177.8668 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 A 8.26 4.14 0.82 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 0.00 0.00 3 D 8.39 4.18 0.00 2.80 2.60 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 4 K 9.53 3.94 0.00 1.74 1.74 0.00 1.54 0.00 0.00 1.12 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.29 7.81 5 E 8.60 4.42 0.00 2.11 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 2.30 2.29 0.00 6 L 8.03 3.78 0.00 1.72 1.65 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.54 4.64 0.00 1.74 1.55 0.00 1.48 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.55 7.81 8 F 9.46 5.38 0.00 3.07 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 9 L 9.08 5.12 0.00 1.33 1.38 0.77 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.98 4.62 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 1.01 0.00 0.00 1.01 0.00 0.00 11 V 8.75 4.78 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 0.89 0.00 0.00 0.94 0.00 0.00 12 D 8.56 4.81 0.00 2.88 2.50 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 13 K 8.95 4.02 0.00 1.56 1.60 0.00 1.54 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.95 7.81 14 F 8.52 4.73 0.00 3.19 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 15 S 8.87 4.30 0.00 4.04 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 0.00 16 T 8.00 4.02 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 1.18 0.00 0.00 *18 R 8.05 4.29 0.00 2.09 2.06 0.00 3.30 0.00 0.00 3.61 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 19 R 8.47 3.90 0.00 2.05 2.10 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 20 I 7.96 3.70 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 1.00 0.00 0.00 21 V 7.83 3.63 2.13 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 1.00 0.00 0.00 1.04 0.00 0.00 22 R 8.46 3.85 0.00 1.95 2.09 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 23 N 8.59 4.30 0.00 2.95 2.94 0.00 0.00 7.26 6.24 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 24 L 8.06 4.01 0.00 1.75 1.71 1.09 0.47 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 25 L 8.05 3.92 0.00 1.74 1.57 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.11 4.14 0.00 1.91 2.02 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.34 7.81 27 E 8.05 3.95 0.00 2.28 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 2.51 2.51 0.00 28 L 7.64 4.31 0.00 2.03 1.89 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.11 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.44 4.74 0.00 3.02 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 31 N 8.72 4.81 0.00 2.65 2.83 0.00 0.00 7.19 7.79 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 32 N 8.01 4.80 0.00 2.98 3.02 0.00 0.00 6.60 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 33 V 7.96 5.13 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 0.97 0.00 0.00 0.97 0.00 0.00 34 E 9.51 5.03 0.00 2.26 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 2.32 2.40 0.00 35 E 8.82 5.41 0.00 1.84 1.84 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 2.24 2.32 0.00 36 A 8.92 4.82 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 37 E 9.16 4.24 0.00 2.03 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 0.00 2.27 2.20 0.00 38 D 7.51 4.64 0.00 3.03 2.73 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 39 G 8.51 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.71 3.53 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 1.12 0.00 0.00 0.89 0.00 0.00 41 D 8.74 4.30 0.00 2.74 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 42 A 8.04 3.85 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 43 L 8.12 3.81 0.00 1.86 1.75 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.13 4.24 0.00 2.89 2.93 0.00 0.00 7.30 7.08 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 45 K 8.03 4.17 0.00 1.82 1.75 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.47 7.81 46 L 8.04 3.89 0.00 1.70 1.66 0.80 0.28 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 47 Q 8.29 4.03 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 48 A 7.67 4.17 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 49 G 7.21 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 0.00 0.00 0.00 50 G 8.61 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 51 Y 7.84 4.27 0.00 3.02 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 52 G 8.77 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 53 F 7.66 4.61 0.00 2.48 1.80 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 54 V 8.34 4.99 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 0.86 0.00 0.00 0.87 0.00 0.00 55 I 9.04 5.15 1.99 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 1.42 0.98 0.97 0.00 0.00 56 S 9.13 5.11 0.00 3.77 3.65 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 57 D 8.53 5.18 0.00 2.94 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.85 4.49 0.00 3.14 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 59 N 7.96 4.72 0.00 2.89 2.78 0.00 0.00 6.87 8.02 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 *61 P 0.00 4.07 0.00 2.15 2.05 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 62 N 8.58 4.35 0.00 2.87 3.01 0.00 0.00 6.93 8.06 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 *64 D 7.65 4.38 0.00 2.85 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 65 G 8.58 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 0.00 0.00 0.00 66 L 6.84 3.77 0.00 0.79 1.21 1.12 0.93 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 67 E 8.31 3.82 0.00 1.98 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 2.26 0.00 68 L 7.89 3.86 0.00 1.78 1.75 0.91 0.35 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 69 L 8.09 3.91 0.00 1.88 1.91 0.95 1.24 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 K 8.30 3.97 0.00 1.80 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.68 7.81 71 T 8.03 3.87 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 1.18 0.00 0.00 72 I 7.92 3.83 2.04 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 1.48 0.91 0.87 0.00 0.00 73 R 8.19 4.18 0.00 1.76 2.00 0.00 3.31 0.00 0.00 3.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 74 A 7.43 4.42 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 75 D 7.38 4.41 0.00 2.78 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 76 G 8.76 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 77 A 8.35 4.55 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 S 8.06 4.54 0.00 4.11 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 0.00 80 A 7.77 4.46 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 81 L 7.82 3.82 0.00 1.55 1.56 0.94 0.95 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 82 P 0.00 4.19 0.00 0.53 1.48 0.00 3.52 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 1.86 1.92 0.00 83 V 8.79 4.37 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 1.00 0.00 0.00 0.90 0.00 0.00 84 L 8.75 4.41 0.00 1.99 1.82 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 *86 V 8.16 4.16 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 0.98 0.00 0.00 0.75 0.00 0.00 87 T 8.22 4.81 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 88 A 8.78 4.28 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 89 E 8.16 4.10 0.00 2.10 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 2.01 2.30 0.00 90 A 8.35 4.56 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 91 K 8.61 4.05 0.00 1.92 1.69 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 92 K 8.64 3.58 0.00 1.70 1.75 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.45 7.81 93 E 8.12 3.86 0.00 2.04 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 2.42 2.43 0.00 94 N 7.91 4.32 0.00 2.53 2.23 0.00 0.00 7.06 7.22 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 95 I 7.13 2.68 1.60 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 1.10 0.46 0.46 0.00 0.00 96 I 7.65 3.57 2.06 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 1.48 1.05 0.89 0.00 0.00 97 A 8.26 4.00 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 98 A 8.44 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.24 3.94 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 0.00 100 Q 8.56 3.91 0.00 2.10 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 101 A 8.17 4.28 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 0.00 102 G 7.82 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 0.00 0.00 0.00 103 A 8.13 4.15 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 0.00 104 S 8.94 4.30 0.00 3.83 3.88 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 0.00 105 G 7.55 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 0.00 106 W 8.67 5.10 0.00 3.39 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 0.00 107 V 8.19 4.50 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 0.75 0.00 0.00 0.82 0.00 0.00 108 V 8.65 4.72 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 0.95 0.00 0.00 1.18 0.00 0.00 109 K 8.89 4.70 0.00 1.71 1.69 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.46 7.81 110 P 0.00 4.30 0.00 2.06 1.90 0.00 3.71 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 1.95 1.89 0.00 111 F 7.36 5.05 0.00 3.10 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 0.00 112 T 8.33 4.35 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 113 A 8.61 4.13 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 0.00 114 A 8.05 3.97 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 0.00 115 T 8.07 3.78 4.48 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 1.23 0.00 0.00 116 L 7.69 3.65 0.00 1.01 1.49 0.42 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.14 3.87 0.00 2.11 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 2.32 2.49 0.00 118 E 8.39 3.91 0.00 2.15 1.91 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 2.30 2.37 0.00 119 K 8.08 3.92 0.00 1.91 1.79 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.51 7.81 120 L 7.98 3.59 0.00 1.65 1.12 0.67 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.61 4.06 0.00 2.78 2.92 0.00 0.00 7.18 6.93 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 0.00 122 K 8.08 4.05 0.00 1.99 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 123 I 7.60 3.73 2.13 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 1.71 0.61 1.04 0.00 0.00 124 F 7.70 4.73 0.00 3.24 3.12 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 0.00 125 E 8.52 4.11 0.00 2.23 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 2.41 2.51 0.00 *126 K 7.72 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.