NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4980 8.1693 120.6409 54.9987 43.3737 175.5123 8 H 4.9209 8.3314 115.0252 53.4398 32.2173 170.5080 9 K 4.5337 9.4722 121.4217 55.4950 33.7956 176.9160 10 E 4.8388 9.2556 124.6298 53.7429 32.3481 173.9781 11 P 4.9399 0.0000 0.0000 62.9243 32.1514 175.3556 12 A 5.0096 8.7158 124.0438 51.0179 22.8396 175.3178 13 T 4.7119 8.6575 108.6405 59.4333 72.2942 173.3099 14 L 4.3008 8.5518 125.3603 55.8780 42.4410 175.7792 15 I 4.3423 8.6448 126.8273 62.3872 38.5874 175.8893 16 K 4.6038 7.5778 120.7663 54.9977 35.4907 174.3976 17 A 4.3932 8.7319 129.9368 52.4929 18.9246 175.9343 18 I 4.3617 8.1296 120.4772 62.0603 39.5244 176.1007 19 D 4.6901 7.5426 117.9469 52.9007 41.5960 175.3569 20 G 3.9398 9.3437 106.2994 48.2308 0.0000 173.7821 21 D 5.0803 8.4215 116.8319 52.7772 41.3634 175.5464 22 T 5.3478 8.0625 114.8220 62.5249 73.1209 173.2854 23 V 4.7351 8.8514 124.4787 60.2254 35.5445 173.1918 24 K 5.0498 9.3995 125.0670 55.0793 33.8183 175.0363 25 L 5.2841 9.2356 127.1753 53.0877 46.0919 175.0347 26 M 4.9410 9.3880 122.4563 54.9310 34.0313 174.3195 27 Y 4.9895 8.9379 127.1911 56.0341 42.2327 175.2849 28 K 3.6380 9.3512 127.1228 57.5479 29.7378 176.0435 29 G 3.9510 8.4493 102.6451 45.9853 0.0000 173.8283 30 Q 4.6593 7.7017 117.8013 52.7413 31.9568 173.1445 31 P 4.8807 0.0000 0.0000 63.1412 32.1632 175.6056 32 M 4.7829 9.3748 124.0544 54.3318 36.1085 173.9600 33 T 4.6950 8.5803 122.7032 63.4570 70.4109 173.3426 34 F 4.9585 9.5336 124.4310 55.5785 42.2017 174.1161 35 R 5.0119 8.8775 124.0762 54.2915 31.9785 175.2732 36 L 4.3606 8.8314 127.6628 54.6979 42.5176 177.2288 37 L 3.9417 8.5400 124.4518 55.7603 42.7763 178.1069 38 L 4.1753 9.0238 120.4015 55.5616 39.1898 173.9503 39 V 5.1175 7.4003 109.6241 59.8090 36.2157 174.9010 40 D 4.9551 9.0391 121.8496 53.0690 44.0404 174.6382 41 T 4.7883 8.8645 117.0374 59.7081 70.5623 172.6143 42 P 4.4214 0.0000 0.0000 62.8786 32.1553 175.8087 43 E 3.8531 9.2202 124.0781 57.0839 30.2381 177.4683 *50 F 4.4656 8.6327 126.0071 58.2095 41.0307 175.4080 51 N 4.6347 8.2590 114.3958 53.0434 37.5803 174.0799 52 E 4.5801 7.9879 119.4907 53.9278 32.1877 175.1889 53 K 3.7277 8.1440 121.4325 58.2653 32.5657 176.7846 54 Y 4.1049 7.6376 121.2788 59.2630 36.2587 171.4503 55 G 3.4971 8.1372 107.6189 47.4033 0.0000 174.1598 56 P 4.1668 0.0000 0.0000 65.0541 31.1783 178.6229 57 E 3.9947 8.0694 116.7529 59.2455 29.5040 179.0284 58 A 3.9978 8.4218 121.1952 55.2885 18.2521 179.7118 59 S 4.2291 8.5099 113.7602 61.9566 63.0050 176.9144 60 A 4.1627 8.4099 123.5105 55.0717 18.1126 179.4993 61 F 4.1299 8.4546 119.1438 61.8787 39.4332 177.6104 62 T 3.9936 8.2796 115.4575 66.3535 68.1600 176.5936 63 K 3.8896 8.2957 121.7044 59.4664 32.3551 178.7032 64 K 3.8577 8.1167 119.8086 59.6554 31.6049 178.4308 65 M 3.8702 7.9129 118.3964 58.7692 31.9544 178.6218 66 V 3.4599 7.8559 111.5544 64.0796 31.8685 178.1001 67 E 4.1540 8.3548 117.6415 58.3158 29.4720 177.8132 68 N 4.7194 7.6833 113.5398 51.9788 39.4153 174.9334 69 A 4.7882 6.8277 124.1381 51.1194 19.0810 178.1264 70 K 4.1373 9.0158 122.9436 58.4822 32.7210 177.5033 71 K 4.6228 8.8422 120.2285 54.5729 35.6042 175.1524 72 I 5.0621 8.4421 127.3697 59.6198 40.1109 174.2981 73 E 5.2235 9.0171 125.1907 54.5209 33.5701 174.8167 74 V 4.3907 8.9296 123.2281 61.0426 34.1432 174.1143 75 E 5.0751 8.8265 128.1193 53.1482 31.9632 174.8991 76 F 4.6395 8.6937 125.7042 57.6345 40.1150 175.5740 77 D 4.9533 8.5186 120.7580 53.4171 43.1925 175.8169 78 K 4.4195 8.8980 117.6375 57.1528 33.2334 178.3291 79 G 4.1979 7.9781 110.9261 44.7440 0.0000 173.7623 80 Q 4.0996 8.5564 122.0144 56.3387 29.4960 176.7923 81 R 4.3752 8.4586 119.3373 57.2620 31.0234 176.3144 82 T 4.9898 7.4533 106.4477 59.5595 71.8609 173.3555 83 D 4.6596 8.6402 123.9753 51.7278 41.4788 177.0208 84 K 3.8862 8.1276 117.0155 59.1454 32.5552 177.0050 85 Y 4.3802 7.7280 115.8885 57.6771 38.1461 176.2175 86 G 3.9003 8.1019 108.3611 45.2792 0.0000 173.9170 87 R 4.2496 8.2692 119.4278 55.1319 31.6153 176.5111 88 G 3.6173 8.2813 110.6298 46.2287 0.0000 172.3748 89 L 5.3942 9.0373 123.6432 52.9477 43.4169 175.6944 90 A 4.4989 8.3432 124.5278 50.7992 23.5537 174.0455 91 Y 4.7418 8.6669 117.4599 57.3050 39.7873 175.1000 92 I 4.8185 8.6679 124.4128 59.6895 40.2936 174.0737 93 Y 5.1011 9.0230 124.2015 56.0570 41.1223 174.7013 94 A 4.8409 9.0147 125.2972 50.1258 21.9410 176.1337 95 D 4.4512 10.1542 125.2339 56.0308 39.1251 176.0467 96 G 4.0463 8.5079 105.0656 45.2559 0.0000 173.5338 97 K 4.5182 7.9155 120.2914 54.7206 33.8167 175.2859 98 M 4.0305 8.4739 123.5489 54.7990 33.0481 176.8752 99 V 3.6259 8.7684 127.2375 66.0918 31.6962 177.4830 100 N 4.3025 8.1186 115.7658 56.5774 38.3745 176.7780 101 E 3.9214 8.0971 119.6287 59.1012 29.8485 178.4074 102 A 4.0843 8.1781 120.8419 55.1531 18.4263 179.4186 103 L 3.4324 8.1677 117.5443 57.9000 41.6737 178.9855 104 D 4.5405 7.7806 117.4678 57.8106 40.9212 178.6956 105 R 4.0853 8.1920 117.4126 58.7705 30.1032 177.3542 106 Q 4.3970 7.5226 115.3108 54.5188 29.2734 175.5217 107 G 3.9905 8.1913 108.8167 46.9417 0.0000 174.9271 108 L 4.5221 7.8935 117.9636 54.1423 43.1915 176.1727 109 A 5.0308 7.6491 119.4006 50.1939 22.6210 175.3724 110 K 4.9169 8.5778 118.0372 54.5656 36.0749 175.8740 111 V 4.2920 8.9194 122.2415 63.7539 32.0165 174.9401 112 A 4.2494 9.1904 126.8292 51.1550 23.2000 175.1324 113 Y 3.0811 7.5218 114.1568 58.8149 35.4584 173.0980 114 V 3.8967 7.2427 118.3214 62.4008 31.7980 174.1758 115 Y 4.9560 8.1366 124.7820 55.6677 40.8311 177.1169 116 K 4.0151 9.0221 123.8618 59.5873 32.6101 178.4881 117 G 3.8320 8.3277 106.5259 48.0496 0.0000 173.2434 118 N 5.3178 8.1718 115.2047 52.0554 38.9539 173.9612 119 N 5.2392 7.7761 110.7619 52.7981 39.0605 177.2048 120 T 3.8515 8.9222 118.3980 67.7303 68.7393 174.9952 121 H 4.8498 8.0216 116.1968 55.7790 29.1670 176.7548 122 E 3.9747 8.4298 122.7368 59.7303 29.3083 178.8274 123 Q 3.9743 8.0494 117.4438 58.7984 28.8460 178.2963 124 L 3.9241 7.9232 120.8028 58.3750 42.0534 178.9999 125 L 4.0658 8.0296 118.7686 57.7669 41.5226 179.6936 126 R 3.8864 8.3746 118.5232 58.8451 29.8168 178.7580 127 K 3.7880 8.3091 119.5316 59.5626 32.1907 178.4459 128 A 3.9605 7.9515 120.7419 55.2736 18.2546 179.1563 129 E 3.8890 8.4613 117.7197 59.4590 29.6161 178.8820 130 A 3.8016 8.0471 120.7291 55.0590 18.3447 179.7592 131 Q 3.8237 7.8599 116.3810 58.9869 28.8592 178.4828 132 A 4.0111 7.9559 121.8065 55.0221 18.3926 179.5637 133 K 3.3443 7.9627 118.3868 59.3778 31.9600 178.8014 134 K 3.8240 7.8544 118.7582 59.3221 32.1629 177.6343 135 E 4.2544 7.9629 115.6190 55.2419 30.3286 176.0844 136 K 4.0571 7.7242 117.7722 57.2707 30.5225 175.5268 137 L 4.3075 8.1612 118.1564 55.4128 44.5714 178.0431 138 N 3.4177 9.3688 119.8733 54.0229 37.7556 176.4112 139 I 3.1423 5.4200 125.3492 64.5057 37.7326 176.7892 140 W 4.8029 7.6897 118.1227 56.5607 28.9786 176.5574 141 S 4.4495 7.7606 121.1251 59.0022 62.1460 174.0998 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 7 L 8.17 4.50 0.00 1.83 1.80 1.04 0.91 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 8 H 8.33 4.92 0.00 3.25 3.34 0.00 5.44 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.47 4.53 0.00 1.56 1.66 0.00 1.37 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.22 7.81 10 E 9.26 4.84 0.00 2.05 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 2.37 2.27 0.00 11 P 0.00 4.94 0.00 1.96 1.99 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 12 A 8.72 5.01 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 13 T 8.66 4.71 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 14 L 8.55 4.30 0.00 1.66 1.61 0.89 1.06 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 15 I 8.64 4.34 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.94 0.00 0.00 16 K 7.58 4.60 0.00 1.81 1.60 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.44 7.81 17 A 8.73 4.39 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 18 I 8.13 4.36 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.90 0.00 0.00 19 D 7.54 4.69 0.00 2.91 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 20 G 9.34 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 21 D 8.42 5.08 0.00 2.77 2.86 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 22 T 8.06 5.35 4.45 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 1.22 0.00 0.00 23 V 8.85 4.74 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 0.75 0.00 0.00 1.01 0.00 0.00 24 K 9.40 5.05 0.00 1.83 1.83 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.62 7.81 25 L 9.24 5.28 0.00 1.79 1.62 0.41 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.39 4.94 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 27 Y 8.94 4.99 0.00 3.29 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 28 K 9.35 3.64 0.00 1.48 1.65 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.04 0.36 7.81 29 G 8.45 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 30 Q 7.70 4.66 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 31 P 0.00 4.88 0.00 1.97 2.04 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 32 M 9.37 4.78 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.77 0.00 33 T 8.58 4.69 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 1.21 0.00 0.00 34 F 9.53 4.96 0.00 2.95 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 35 R 8.88 5.01 0.00 1.86 1.75 0.00 3.35 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 36 L 8.83 4.36 0.00 1.67 1.62 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.54 3.94 0.00 0.83 1.28 0.32 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.02 4.18 0.00 2.07 1.95 1.20 1.22 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 39 V 7.40 5.12 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 0.82 0.00 0.00 1.07 0.00 0.00 40 D 9.04 4.96 0.00 2.95 2.54 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 41 T 8.86 4.79 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 1.30 0.00 0.00 42 P 0.00 4.42 0.00 2.03 2.08 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 43 E 9.22 3.85 0.00 2.23 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 0.00 2.34 2.38 0.00 *50 F 8.63 4.47 0.00 3.08 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 51 N 8.26 4.63 0.00 2.87 2.99 0.00 0.00 5.88 7.66 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 52 E 7.99 4.58 0.00 2.08 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 2.20 2.19 0.00 53 K 8.14 3.73 0.00 1.55 1.60 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.54 1.06 7.81 54 Y 7.64 4.10 0.00 3.16 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 55 G 8.14 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 56 P 0.00 4.17 0.00 1.99 1.90 0.00 3.29 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.03 0.00 57 E 8.07 3.99 0.00 2.34 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 0.00 2.53 2.49 0.00 58 A 8.42 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.23 0.00 4.25 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 60 A 8.41 4.16 1.47 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 0.00 0.00 61 F 8.45 4.13 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 62 T 8.28 3.99 4.34 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 1.26 0.00 0.00 63 K 8.30 3.89 0.00 1.94 2.04 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.46 7.81 64 K 8.12 3.86 0.00 2.06 1.63 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.41 7.81 65 M 7.91 3.87 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 66 V 7.86 3.46 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 0.78 0.00 0.00 1.03 0.00 0.00 67 E 8.35 4.15 0.00 1.96 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 2.34 2.59 0.00 68 N 7.68 4.72 0.00 2.75 2.82 0.00 0.00 6.97 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 69 A 6.83 4.79 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 70 K 9.02 4.14 0.00 1.90 1.88 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.42 7.81 71 K 8.84 4.62 0.00 1.76 1.59 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 72 I 8.44 5.06 2.03 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 1.33 0.87 0.89 0.00 0.00 73 E 9.02 5.22 0.00 1.90 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 2.18 2.20 0.00 74 V 8.93 4.39 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 0.02 0.00 0.00 -0.12 0.00 0.00 75 E 8.83 5.08 0.00 2.22 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 0.00 2.47 2.38 0.00 76 F 8.69 4.64 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 77 D 8.52 4.95 0.00 2.74 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 78 K 8.90 4.42 0.00 1.80 1.88 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.45 7.81 79 G 7.98 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 0.00 0.00 0.00 0.00 80 Q 8.56 4.10 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 81 R 8.46 4.38 0.00 1.66 1.49 0.00 2.51 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.00 82 T 7.45 4.99 4.16 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 1.13 0.00 0.00 83 D 8.64 4.66 0.00 2.79 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 84 K 8.13 3.89 0.00 1.54 1.69 0.00 1.04 0.00 0.00 1.37 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.76 0.21 7.81 85 Y 7.73 4.38 0.00 3.09 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 86 G 8.10 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 87 R 8.27 4.25 0.00 2.04 1.84 0.00 3.12 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 88 G 8.28 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 89 L 9.04 5.39 0.00 1.51 1.59 0.88 0.64 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 90 A 8.34 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.67 4.74 0.00 3.00 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 92 I 8.67 4.82 1.78 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 1.12 0.99 0.81 0.00 0.00 93 Y 9.02 5.10 0.00 2.81 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 94 A 9.01 4.84 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 95 D 10.15 4.45 0.00 2.80 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 96 G 8.51 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 0.00 0.00 0.00 97 K 7.92 4.52 0.00 1.98 1.75 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.38 7.81 98 M 8.47 4.03 0.00 1.86 1.48 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.35 0.00 99 V 8.77 3.63 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 1.13 0.00 0.00 0.94 0.00 0.00 100 N 8.12 4.30 0.00 2.91 2.95 0.00 0.00 6.75 7.66 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 0.00 101 E 8.10 3.92 0.00 1.98 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 2.38 2.36 0.00 102 A 8.18 4.08 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 0.00 103 L 8.17 3.43 0.00 1.85 1.65 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 104 D 7.78 4.54 0.00 2.95 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 0.00 105 R 8.19 4.09 0.00 1.88 2.10 0.00 3.35 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.52 4.40 0.00 1.62 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 107 G 8.19 3.99 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 0.00 108 L 7.89 4.52 0.00 1.33 1.49 0.49 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.65 5.03 1.16 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 0.00 0.00 110 K 8.58 4.92 0.00 2.17 1.89 0.00 1.30 0.00 0.00 1.61 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.37 7.81 111 V 8.92 4.29 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 0.76 0.00 0.00 1.03 0.00 0.00 112 A 9.19 4.25 1.16 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 0.00 0.00 113 Y 7.52 3.08 0.00 3.20 3.22 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 0.00 114 V 7.24 3.90 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 0.90 0.00 0.00 0.94 0.00 0.00 115 Y 8.14 4.96 0.00 3.07 2.78 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 0.00 116 K 9.02 4.02 0.00 1.79 1.91 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 117 G 8.33 3.83 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 0.00 0.00 0.00 118 N 8.17 5.32 0.00 2.80 2.81 0.00 0.00 6.80 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 0.00 119 N 7.78 5.24 0.00 3.00 3.21 0.00 0.00 6.09 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 0.00 120 T 8.92 3.85 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 1.01 0.00 0.00 121 H 8.02 4.85 0.00 2.89 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.43 3.97 0.00 2.18 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 2.33 2.39 0.00 123 Q 8.05 3.97 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 124 L 7.92 3.92 0.00 1.75 1.84 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.03 4.07 0.00 1.80 1.91 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.37 3.89 0.00 1.96 1.95 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 127 K 8.31 3.79 0.00 1.97 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 128 A 7.95 3.96 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 0.00 129 E 8.46 3.89 0.00 2.38 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 0.00 2.09 2.57 0.00 130 A 8.05 3.80 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 0.00 131 Q 7.86 3.82 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 132 A 7.96 4.01 1.58 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 0.00 0.00 133 K 7.96 3.34 0.00 1.32 1.47 0.00 1.18 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.86 0.21 7.81 134 K 7.85 3.82 0.00 1.84 1.94 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 135 E 7.96 4.25 0.00 2.00 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 2.30 2.45 0.00 136 K 7.72 4.06 0.00 1.93 2.03 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.55 7.81 137 L 8.16 4.31 0.00 1.78 1.67 1.03 0.60 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 0.00 138 N 9.37 3.42 0.00 2.53 1.42 0.00 0.00 7.14 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 0.00 139 I 5.42 3.14 1.04 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.02 -0.26 0.00 0.00 140 W 7.69 4.80 0.00 3.19 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 0.00 141 S 7.76 4.45 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.