NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.3483 8.2993 122.1420 54.2038 33.7407 175.7848 9 E 4.0428 8.1905 118.3057 56.2310 30.7535 175.6927 10 G 4.0671 8.1508 108.3000 43.7231 0.0000 175.6723 11 S 4.2743 8.5361 114.0078 61.3489 62.9554 176.3628 12 L 4.2289 8.6441 122.8848 57.6489 41.3039 179.1578 13 L 4.1251 8.3183 120.4019 57.9233 42.0480 178.7981 14 R 3.9765 8.2116 118.8094 59.4519 29.7803 178.6219 15 W 4.1731 8.1987 117.3671 59.7304 29.0900 177.4903 16 Y 4.4818 8.4184 118.9627 60.9715 38.4721 177.6926 17 D 4.5208 8.6166 120.0137 57.3181 40.9142 179.7273 18 V 3.8562 7.5965 115.0131 63.8253 30.9604 177.2550 *20 E 4.2311 8.1611 118.1823 55.9182 31.4688 177.8321 21 A 4.1935 8.3095 120.5992 55.5462 18.2465 179.6197 22 E 3.7994 8.3309 116.9023 59.1811 29.5923 179.2283 23 R 3.2800 7.6332 117.6082 59.8207 29.7034 178.2022 24 Y 4.0243 7.3845 114.1223 60.7406 37.9619 177.5962 25 E 4.0521 7.9199 119.3973 59.8039 29.4836 179.1536 26 Y 4.1510 7.9608 116.6270 61.1426 37.5855 178.6493 27 T 4.1033 7.6040 116.1579 65.1529 68.8374 175.5700 28 V 3.4808 6.7322 120.3777 64.2454 32.1653 176.5958 29 G 4.0891 8.8021 112.1146 44.6919 0.0000 172.3026 30 P 4.3139 0.0000 0.0000 65.5807 31.1186 178.6148 31 A 4.2248 8.2049 120.4547 54.9363 18.4596 179.3437 32 G 4.1680 8.3826 107.6675 48.1238 0.0000 176.0921 33 E 4.1324 8.1643 120.6164 60.9159 29.6716 180.9688 34 Q 4.0022 8.0636 119.3557 58.5667 28.6764 178.6349 35 F 4.0173 8.4823 121.9065 61.5948 39.3212 177.3183 36 F 3.8028 8.3331 117.1909 60.2578 38.8213 177.5057 37 N 4.4228 8.6186 116.7974 56.1799 38.2411 177.4997 38 G 3.5982 8.1562 107.2927 47.8548 0.0000 175.6133 39 L 3.9995 7.5032 121.4822 57.4780 41.3841 179.8166 40 K 4.1038 7.7067 117.2947 58.5856 31.8843 178.2813 41 Q 4.3645 7.0347 115.4198 54.4810 29.4322 175.0096 42 N 3.1400 7.5549 115.4575 54.0272 36.5703 174.1557 43 K 4.6248 7.6973 114.7318 54.5781 36.3634 176.6656 44 I 4.3666 8.2497 122.9869 59.9544 38.8991 174.4846 45 I 4.8125 8.4716 128.4648 59.5797 39.6073 175.4767 46 G 4.3320 9.1711 114.5872 44.4106 0.0000 171.5995 47 S 5.3951 8.8733 113.3160 56.2115 66.6679 173.2159 48 K 5.0214 8.6538 122.3273 54.5323 34.4311 175.3478 49 C 4.3184 9.0216 129.2358 59.7011 31.9208 174.7629 50 S 4.2019 8.8322 122.2240 60.6539 63.0507 175.3511 51 K 4.1478 8.0651 120.9920 58.0784 32.5458 176.7630 52 C 4.5780 7.9005 110.6763 56.9120 30.8331 175.3215 53 G 3.9019 8.3809 108.3795 45.5304 0.0000 174.2116 54 R 3.8384 7.2775 118.9437 56.3915 31.3495 175.5638 55 I 4.7768 7.9603 123.3076 59.5866 39.8315 174.3690 56 F 5.4271 9.3525 126.0884 55.5785 41.9264 174.9803 57 V 4.7096 8.6806 121.7400 59.0602 34.3387 173.5943 58 P 3.8656 0.0000 0.0000 61.7820 31.8489 175.8194 59 A 4.5256 7.7190 122.9378 53.1271 18.7530 177.2910 60 R 4.8769 9.0010 116.9657 54.6718 32.9208 175.3127 61 S 4.7390 8.7893 113.1422 58.8240 64.9333 172.6939 62 Y 5.1644 7.5824 121.7113 56.2135 42.7744 172.9723 63 C 4.2273 8.2487 126.8368 57.5206 32.6404 173.9873 64 E 3.8848 8.4571 127.5929 58.4123 29.8919 177.5612 65 H 4.0888 7.8648 115.2031 58.9101 28.8108 176.0547 66 C 4.1381 7.5170 113.5297 58.9306 29.0526 173.2456 67 F 4.1691 6.9624 116.6217 57.5794 36.5032 175.1999 68 V 4.7099 6.5109 111.1060 59.1852 36.5042 176.0060 69 K 4.6419 8.9116 124.4660 56.9733 32.9722 175.7914 70 I 4.4718 8.5924 127.5239 59.8381 38.2595 175.4612 71 E 4.3681 8.8741 124.7433 56.0318 31.8434 175.4552 72 N 4.7387 7.6584 116.8352 51.8330 40.4198 173.6267 73 Y 5.2066 8.4495 120.8479 56.4782 40.6773 175.5628 74 V 4.5790 8.8574 115.1422 59.5395 36.3979 174.2261 75 E 4.5822 8.7775 125.4129 55.8643 30.2136 175.9196 76 I 4.0145 8.4868 128.8011 60.3019 38.6412 175.6620 77 N 4.4326 8.6657 124.5661 53.2382 38.5022 175.5755 78 K 4.3251 8.6469 126.7577 59.8672 33.0034 178.6873 79 D 4.6100 8.3125 118.0329 56.0533 40.6837 176.5102 80 E 4.5779 8.2013 117.7628 55.7681 29.9924 175.8254 81 A 3.8380 7.8990 122.5591 52.2642 19.4006 176.8436 82 Y 5.1699 8.1781 119.1290 55.0175 42.5055 174.4898 83 V 3.8490 8.6802 121.4255 62.9247 31.9280 175.9949 84 D 4.7834 8.8363 129.1608 56.5244 42.1108 176.2035 85 S 4.7852 7.6729 110.0558 58.3396 65.6654 174.6608 86 Y 5.0534 7.2231 116.9544 56.9127 40.9276 172.3033 87 T 4.7007 8.5722 114.4297 60.2150 71.4374 171.9890 88 I 4.7187 8.1255 122.7497 58.9395 41.4358 174.1580 89 I 4.4024 8.2766 129.3542 59.9707 39.2183 175.8167 90 Y 4.3267 8.7700 124.6700 59.1001 39.4644 175.3339 91 N 5.4476 8.0330 115.4829 50.9687 42.6626 173.7913 92 D 5.0438 8.8250 121.0386 52.7077 40.7068 176.7523 93 D 4.5059 8.5211 117.6254 56.3129 40.8344 177.1234 94 E 4.3107 8.3618 117.3082 56.1489 29.9104 176.7478 95 G 4.0032 8.2710 108.0039 44.9630 0.0000 173.7087 96 N 4.4902 8.5151 118.6786 52.3654 39.1358 174.6135 97 K 4.8906 8.4117 123.8859 55.8791 32.9241 176.0681 98 L 4.2915 8.6120 126.8994 53.8037 42.5824 176.4759 99 A 4.0964 8.8836 127.0912 54.8843 18.2806 177.5844 100 Q 4.5672 7.7159 114.3971 53.1997 30.6365 173.9055 101 P 4.3357 0.0000 0.0000 62.9209 32.3706 175.8730 102 V 4.2257 7.9671 121.9245 61.7970 33.3886 174.1448 103 Y 4.9827 8.7324 125.1651 56.3431 40.8982 174.6461 104 I 4.5284 8.3055 124.0551 59.6405 38.9989 174.5842 105 A 5.1656 8.7992 129.1885 49.8108 22.6877 174.5101 106 L 4.5904 8.6338 123.2707 54.2078 43.4549 175.3473 107 I 4.5245 8.5691 128.3360 59.7625 39.3639 175.3173 108 R 4.6794 7.8545 124.6580 54.1042 34.9534 174.0595 109 F 5.1612 8.2812 116.7843 54.9379 43.1390 173.3715 110 P 4.4996 0.0000 0.0000 64.5523 31.5273 176.0644 111 N 4.3844 9.1270 118.3237 53.7089 35.9109 173.6079 112 I 4.5529 7.4529 118.3938 59.3009 39.7225 175.5674 113 E 4.1474 8.7928 125.2565 57.1804 30.5750 178.1057 114 G 4.1062 8.6118 108.7526 46.7272 0.0000 171.5046 115 G 4.0342 6.6146 107.2216 46.5957 0.0000 171.6675 116 L 4.9122 8.0856 119.4440 52.5675 45.0497 176.1727 117 L 4.5925 8.6663 126.5723 55.0214 42.5616 175.5046 118 C 4.7175 8.7921 123.5236 57.8175 33.0650 172.9518 119 Y 4.9324 8.2508 118.4108 57.8600 38.9683 174.7444 120 A 5.2402 9.1404 124.6290 50.3464 22.8434 174.7700 121 E 4.8326 9.0996 118.7844 55.5106 34.3473 174.1036 122 G 4.0176 8.7455 105.1232 44.7908 0.0000 174.6407 123 N 4.5686 7.9483 114.9306 52.1061 37.4423 175.8702 124 V 3.3042 6.6827 118.2100 62.4086 32.8485 174.8970 125 K 4.8182 8.1149 123.9669 54.6526 35.5112 175.5654 126 V 3.9698 8.4021 119.9746 63.2825 31.6614 176.7207 127 G 3.9458 9.3000 112.5279 45.0458 0.0000 173.6473 128 A 4.2065 7.7825 124.3792 52.1004 19.5942 177.9299 129 K 4.5457 8.6804 124.4153 55.3548 32.5414 175.6674 130 A 4.8320 8.7454 126.6882 49.1959 21.4209 175.5100 131 K 4.4654 8.8099 123.8580 54.5026 34.5444 175.2787 132 I 4.0697 8.3119 128.6591 61.4128 36.8798 175.6820 133 L 4.3540 8.7395 128.3356 56.3339 42.8055 177.5726 134 S 4.6534 7.5367 112.5513 56.6488 65.6605 174.4534 135 F 4.6580 9.1409 124.0825 57.2471 39.4667 175.8185 136 Q 4.3165 7.8452 123.7287 55.4947 29.5303 174.7721 137 W 4.6034 8.7643 133.9377 56.0011 31.7850 174.2514 138 P 3.0647 0.0000 0.0000 61.5677 31.7132 176.3378 139 L 4.4547 7.4367 121.2914 54.5710 43.1268 175.9688 140 R 5.2253 8.3182 120.1570 54.6390 33.2147 175.5035 141 V 4.9968 8.8909 116.2997 59.3047 36.2636 174.5745 142 K 5.0067 8.9496 120.9760 55.0983 36.4326 175.1159 143 V 4.4842 8.2046 121.3364 60.9602 33.9646 175.4548 144 D 4.4756 8.6330 126.6837 54.6841 40.7404 176.1997 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 8 K 8.30 4.35 0.00 1.79 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 9 E 8.19 4.04 0.00 2.18 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 2.28 2.39 0.00 10 G 8.15 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 11 S 8.54 4.27 0.00 4.30 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 0.00 12 L 8.64 4.23 0.00 2.05 1.85 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.32 4.13 0.00 1.85 1.73 1.07 0.98 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 14 R 8.21 3.98 0.00 1.95 1.95 0.00 2.78 0.00 0.00 2.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.00 15 W 8.20 4.17 0.00 3.53 3.26 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 16 Y 8.42 4.48 0.00 3.15 3.38 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 17 D 8.62 4.52 0.00 2.93 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 18 V 7.60 3.86 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 1.13 0.00 0.00 0.75 0.00 0.00 *20 E 8.16 4.23 0.00 2.06 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 1.47 1.67 0.00 21 A 8.31 4.19 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 22 E 8.33 3.80 0.00 2.35 2.17 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 2.29 2.52 0.00 23 R 7.63 3.28 0.00 1.05 1.63 0.00 2.79 0.00 0.00 2.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.68 0.00 24 Y 7.38 4.02 0.00 3.00 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 25 E 7.92 4.05 0.00 1.77 1.75 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 2.25 2.42 0.00 26 Y 7.96 4.15 0.00 3.10 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 27 T 7.60 4.10 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 1.13 0.00 0.00 28 V 6.73 3.48 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 0.74 0.00 0.00 0.98 0.00 0.00 29 G 8.80 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.31 0.00 2.40 2.38 0.00 3.76 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 2.19 2.10 0.00 31 A 8.20 4.22 1.57 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 32 G 8.38 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 0.00 0.00 0.00 33 E 8.16 4.13 0.00 2.02 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 2.24 2.22 0.00 34 Q 8.06 4.00 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 35 F 8.48 4.02 0.00 2.95 3.03 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 0.00 36 F 8.33 3.80 0.00 3.16 3.08 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 37 N 8.62 4.42 0.00 2.75 2.82 0.00 0.00 6.83 8.88 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 38 G 8.16 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 39 L 7.50 4.00 0.00 1.79 1.95 0.83 0.79 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 40 K 7.71 4.10 0.00 1.83 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.70 7.81 41 Q 7.03 4.36 0.00 2.07 1.98 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 2.24 2.43 0.00 42 N 7.55 3.14 0.00 2.44 1.96 0.00 0.00 6.65 7.77 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 43 K 7.70 4.62 0.00 1.55 1.57 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.41 7.81 44 I 8.25 4.37 1.75 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.13 0.80 0.00 0.00 45 I 8.47 4.81 1.92 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 1.19 1.31 1.03 0.00 0.00 46 G 9.17 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 0.00 0.00 0.00 0.00 47 S 8.87 5.40 0.00 3.86 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 48 K 8.65 5.02 0.00 1.70 1.67 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.42 7.81 49 C 9.02 4.32 0.00 3.23 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 50 S 8.83 4.20 0.00 3.88 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 51 K 8.07 4.15 0.00 1.69 1.79 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.41 7.81 52 C 7.90 4.58 0.00 3.05 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 53 G 8.38 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 0.00 0.00 0.00 54 R 7.28 3.84 0.00 1.64 1.07 0.00 3.13 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 1.45 1.49 0.00 55 I 7.96 4.78 1.76 0.00 0.00 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 1.29 0.84 0.87 0.00 0.00 56 F 9.35 5.43 0.00 2.90 2.94 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 57 V 8.68 4.71 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 1.07 0.00 0.00 0.94 0.00 0.00 58 P 0.00 3.87 0.00 0.88 0.49 0.00 3.15 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.00 0.00 59 A 7.72 4.53 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 60 R 9.00 4.88 0.00 1.68 1.81 0.00 2.21 0.00 0.00 2.96 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.21 0.00 61 S 8.79 4.74 0.00 4.00 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 0.00 62 Y 7.58 5.16 0.00 2.93 2.70 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 63 C 8.25 4.23 0.00 2.86 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 64 E 8.46 3.88 0.00 1.96 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 2.33 2.35 0.00 65 H 7.86 4.09 0.00 3.08 3.23 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 7.52 4.14 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 67 F 6.96 4.17 0.00 3.29 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 68 V 6.51 4.71 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 0.71 0.00 0.00 0.84 0.00 0.00 69 K 8.91 4.64 0.00 1.87 1.76 0.00 2.08 0.00 0.00 1.79 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.49 7.81 70 I 8.59 4.47 1.98 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 1.20 0.66 0.85 0.00 0.00 71 E 8.87 4.37 0.00 1.85 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 2.17 2.21 0.00 72 N 7.66 4.74 0.00 2.73 2.66 0.00 0.00 7.02 7.48 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 73 Y 8.45 5.21 0.00 2.91 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 74 V 8.86 4.58 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 0.73 0.00 0.00 0.94 0.00 0.00 75 E 8.78 4.58 0.00 1.96 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 2.30 0.00 76 I 8.49 4.01 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.56 0.06 0.00 0.00 77 N 8.67 4.43 0.00 2.74 2.79 0.00 0.00 6.92 6.26 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 78 K 8.65 4.33 0.00 2.16 2.24 0.00 1.86 0.00 0.00 2.01 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.56 7.81 79 D 8.31 4.61 0.00 2.93 2.81 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 80 E 8.20 4.58 0.00 2.30 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 2.33 2.31 0.00 81 A 7.90 3.84 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.18 5.17 0.00 2.98 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 83 V 8.68 3.85 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 0.93 0.00 0.00 0.75 0.00 0.00 84 D 8.84 4.78 0.00 2.46 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 0.00 85 S 7.67 4.79 0.00 3.83 3.87 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 86 Y 7.22 5.05 0.00 3.11 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 87 T 8.57 4.70 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 1.07 0.00 0.00 88 I 8.13 4.72 1.69 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 -0.19 0.63 0.00 0.00 89 I 8.28 4.40 1.87 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 1.29 0.99 0.97 0.00 0.00 90 Y 8.77 4.33 0.00 2.89 2.94 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 91 N 8.03 5.45 0.00 2.74 2.75 0.00 0.00 6.93 8.08 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 92 D 8.82 5.04 0.00 2.86 2.83 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 93 D 8.52 4.51 0.00 2.69 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 94 E 8.36 4.31 0.00 2.05 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 2.25 2.36 0.00 95 G 8.27 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 96 N 8.52 4.49 0.00 3.08 2.76 0.00 0.00 6.60 7.20 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 97 K 8.41 4.89 0.00 1.73 1.73 0.00 1.59 0.00 0.00 2.22 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.46 7.81 98 L 8.61 4.29 0.00 1.72 1.72 0.91 1.00 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 99 A 8.88 4.10 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 0.00 100 Q 7.72 4.57 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 101 P 0.00 4.34 0.00 1.35 1.47 0.00 3.68 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 1.95 2.07 0.00 102 V 7.97 4.23 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 1.03 0.00 0.00 0.84 0.00 0.00 103 Y 8.73 4.98 0.00 2.97 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 0.00 104 I 8.31 4.53 1.00 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 0.63 -0.36 -0.21 0.00 0.00 105 A 8.80 5.17 1.08 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 0.00 106 L 8.63 4.59 0.00 1.74 1.51 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.57 4.52 1.72 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.67 0.47 0.00 0.00 108 R 7.85 4.68 0.00 0.67 1.54 0.00 3.12 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.29 0.00 109 F 8.28 5.16 0.00 3.00 2.94 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 0.00 110 P 0.00 4.50 0.00 2.10 2.04 0.00 4.04 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 111 N 9.13 4.38 0.00 2.90 2.95 0.00 0.00 6.90 7.45 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 0.00 112 I 7.45 4.55 2.17 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 1.26 0.61 0.99 0.00 0.00 113 E 8.79 4.15 0.00 1.74 1.88 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 2.20 1.89 0.00 114 G 8.61 4.11 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 0.00 115 G 6.61 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 0.00 0.00 0.00 0.00 116 L 8.09 4.91 0.00 1.51 1.48 1.17 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.67 4.59 0.00 1.69 1.59 0.88 1.19 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 0.00 118 C 8.79 4.72 0.00 2.65 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 0.00 119 Y 8.25 4.93 0.00 2.89 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 0.00 120 A 9.14 5.24 0.99 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 0.00 0.00 121 E 9.10 4.83 0.00 1.88 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 2.29 2.26 0.00 122 G 8.75 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 0.00 0.00 0.00 123 N 7.95 4.57 0.00 2.67 2.74 0.00 0.00 6.85 7.80 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 0.00 124 V 6.68 3.30 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 -0.42 0.00 0.00 -0.06 0.00 0.00 125 K 8.11 4.82 0.00 1.98 1.85 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.37 7.81 126 V 8.40 3.97 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 0.77 0.00 0.00 1.09 0.00 0.00 127 G 9.30 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 0.00 128 A 7.78 4.21 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 0.00 129 K 8.68 4.55 0.00 1.55 1.62 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.02 7.81 130 A 8.75 4.83 1.05 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 0.00 0.00 131 K 8.81 4.47 0.00 1.87 1.62 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.26 7.81 132 I 8.31 4.07 1.55 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 1.13 0.55 -0.22 0.00 0.00 133 L 8.74 4.35 0.00 1.55 1.68 0.88 0.67 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 0.00 134 S 7.54 4.65 0.00 3.84 3.61 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 0.00 135 F 9.14 4.66 0.00 3.04 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 0.00 136 Q 7.85 4.32 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 137 W 8.76 4.60 0.00 3.78 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 0.00 138 P 0.00 3.06 0.00 1.64 1.28 0.00 3.99 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 139 L 7.44 4.45 0.00 1.38 1.38 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.32 5.23 0.00 1.64 1.77 0.00 3.01 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 141 V 8.89 5.00 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 0.74 0.00 0.00 0.83 0.00 0.00 142 K 8.95 5.01 0.00 1.77 1.80 0.00 1.34 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.28 7.81 143 V 8.20 4.48 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 0.89 0.00 0.00 0.71 0.00 0.00 144 D 8.63 4.48 0.00 2.67 2.53 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 * Residues marked with a * may have inaccurate shift predictions.