NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7770 8.2033 118.3862 58.0326 29.3866 178.5023 2 D 4.5838 9.1799 128.1203 56.0005 39.3173 172.3499 3 A 4.3651 9.1083 121.8981 52.3550 20.0155 177.1716 4 F 4.9297 7.9054 112.8186 57.5130 41.3500 176.6554 5 V 3.9474 8.1113 113.5976 62.1180 31.9922 175.2077 6 G 3.7687 7.9625 109.3542 44.0790 0.0000 171.7343 7 T 4.9391 7.9846 115.6896 61.4831 71.1409 173.9499 8 W 5.4176 9.1728 125.3948 54.9104 32.9322 174.5822 9 K 5.0802 9.4728 123.4400 54.5522 34.4880 175.2981 10 L 3.7045 7.9165 124.7562 54.8859 42.1421 176.8804 11 V 4.4802 7.9241 118.0373 61.0128 33.6530 175.5078 12 S 4.5934 7.4334 112.9983 57.8376 65.6542 174.4610 13 S 4.9629 8.4324 114.8213 57.1403 65.5993 172.9832 14 E 4.5575 9.1249 125.3977 55.3798 33.9447 175.4621 15 N 4.4319 9.0645 120.1305 54.5608 36.5946 176.4045 16 F 4.9428 8.3065 123.2515 61.2000 39.2553 176.2786 17 D 4.0529 8.1127 117.1552 57.0635 40.4873 177.4885 18 D 4.3926 8.0241 118.4563 57.2207 41.3081 177.4148 19 Y 4.4033 8.1910 120.2232 60.8329 38.8499 177.4948 20 M 3.6768 8.1434 120.2332 57.9920 31.7609 178.8689 21 K 3.9810 7.3610 116.7338 59.8543 32.7420 178.8540 22 E 4.0704 7.3524 119.7558 59.1668 29.4300 179.0172 23 V 3.8831 7.0557 117.3939 65.1203 31.5444 176.6462 24 G 4.2041 7.5862 105.6404 45.3110 0.0000 174.2991 25 V 3.7612 7.5222 112.4944 60.6631 32.4145 176.7979 26 G 3.8063 8.5349 109.5226 44.2403 0.0000 174.4646 27 F 3.7870 8.8772 126.6876 61.2291 39.6364 177.5344 28 A 4.1609 8.3311 119.8372 55.7220 18.0864 179.6001 29 T 3.9668 7.8223 107.0203 64.3216 68.7646 176.4351 30 R 3.6789 8.3521 122.3384 58.6101 29.7697 178.2715 31 K 3.7692 7.3149 119.4476 59.2159 32.6215 178.9904 32 V 3.6309 7.2453 117.8584 64.3418 31.1950 178.3228 33 A 3.3649 7.2134 121.5123 54.7856 18.1156 179.7741 34 G 3.9023 7.4347 101.9089 47.1045 0.0000 174.3455 35 M 4.2196 7.3175 117.1664 55.2767 32.9352 175.4604 36 A 4.5992 7.6251 121.9441 51.6410 20.2571 177.5963 37 K 4.4782 8.1517 121.0289 53.3646 32.2064 174.2977 38 P 4.8206 0.0000 0.0000 62.7587 33.4906 175.3945 39 N 5.2505 9.1757 118.4691 51.9160 41.3568 173.5735 40 M 4.8315 9.1105 125.5560 54.5979 33.5850 174.6515 41 I 5.0775 8.9084 128.3699 59.9053 39.7801 175.0598 42 I 5.2325 8.7572 126.9463 59.6645 40.8692 174.7316 43 S 5.1070 9.2309 120.4553 56.8904 67.2006 172.7948 44 V 4.6165 8.1804 118.8437 61.3982 34.5038 175.1968 45 N 4.8298 9.0067 125.2908 51.8145 40.2023 174.7175 46 G 4.1219 8.1465 115.7325 45.6824 0.0000 172.4305 47 D 4.5138 8.5991 123.3317 53.4644 40.2070 175.7719 48 L 4.4983 7.3231 122.4733 53.9018 44.0062 175.1489 49 V 4.5334 8.5728 125.8286 61.1525 34.6584 174.0813 50 T 4.9728 8.6612 123.9282 61.7928 71.7014 172.8150 51 I 4.8839 8.8126 127.6578 59.5444 39.7412 174.7316 52 R 5.1899 9.4541 127.6151 54.4446 33.8309 174.1011 53 S 5.1837 9.1510 119.1837 56.5915 65.5768 172.2678 54 E 5.1403 9.1578 126.9694 54.6452 32.0887 175.4078 55 S 5.0697 8.4676 117.7422 57.3504 66.2189 175.2607 56 T 3.6891 8.8795 109.9374 63.7498 68.4056 174.0241 57 F 4.7839 7.6318 123.2398 57.0800 41.8147 173.5058 58 K 3.2798 8.3444 124.5481 57.0904 30.6762 173.5303 59 N 5.2984 8.4910 119.4909 51.5302 41.0479 174.0129 60 T 4.6254 8.5173 112.7623 59.9176 72.3707 172.8549 61 E 4.7924 8.7284 123.9267 54.6701 31.4843 173.5974 62 I 4.3969 8.7505 127.4761 60.0050 38.6506 174.7745 63 S 5.1816 8.5428 123.8419 56.9876 64.7202 173.5571 64 F 4.4774 8.3641 118.1630 56.0385 41.4435 172.6528 65 K 4.8529 8.2867 117.5973 54.0437 34.9280 176.7020 66 L 4.2486 8.4980 123.3292 56.1599 42.0738 178.9173 67 G 3.9199 9.3590 110.9498 45.6855 0.0000 173.4356 68 V 4.2119 7.2732 119.6115 60.5957 32.1981 174.7977 69 E 4.4165 8.9140 128.6004 57.3143 29.9470 175.9414 70 F 5.1475 9.1907 120.4908 55.3495 42.1163 172.9750 71 D 4.9642 8.8011 120.0224 53.7877 41.8171 175.6047 72 E 4.6832 8.8578 123.5180 54.4774 33.5844 174.3057 73 I 4.8400 8.3060 127.2366 59.5292 38.3646 175.6496 74 T 3.9836 8.3236 117.9271 60.8893 69.3872 175.5039 75 A 3.8355 8.5025 125.0929 55.3251 18.3832 178.2536 76 D 4.6571 8.0512 112.3942 53.1694 40.0047 175.9870 77 D 4.3306 7.8494 117.2811 56.1187 38.3573 173.8322 78 R 4.3758 7.7787 118.2224 54.1494 32.8336 176.2481 79 K 4.3810 8.3309 123.6051 55.5669 32.0937 175.8111 80 V 4.5384 8.4581 120.7789 59.3718 35.3708 175.0958 81 K 4.2874 8.8292 123.3921 55.1099 33.6751 175.3601 82 S 5.1995 7.9340 123.6872 56.7740 65.6827 173.5922 83 I 4.6411 7.6120 119.3543 60.5122 41.2278 172.8919 84 I 5.1922 8.6353 130.2179 59.8032 40.2314 174.6338 85 T 4.8675 8.6955 114.8575 60.1074 72.8793 172.9359 86 L 4.7119 8.5919 125.1456 53.8658 42.0867 174.3306 87 D 4.6672 9.3779 126.1226 52.6035 42.0341 176.5629 88 G 3.7637 9.5453 118.2287 46.8018 0.0000 173.5420 89 G 3.9312 8.5160 104.4357 45.0608 0.0000 173.1764 90 A 5.0228 7.6491 121.3514 49.9461 22.7381 176.0155 91 L 4.5870 8.5918 123.4520 54.0960 42.4795 174.9391 92 V 4.4075 8.8057 127.1010 61.5076 33.0292 173.9875 93 Q 5.0166 8.7838 130.0485 54.3418 31.5775 174.2108 94 V 4.8138 8.4833 125.7636 61.2682 34.6732 173.9122 95 Q 4.9116 9.3282 127.9160 54.3800 30.7748 174.6491 96 K 5.2199 8.5131 124.5828 54.5225 34.8907 175.7700 97 W 4.6191 8.9454 117.5174 56.6699 31.7856 174.2504 98 D 4.0854 10.2935 122.3515 55.1068 38.1443 173.6530 99 G 3.9970 8.3015 108.5905 45.5777 0.0000 174.8401 100 K 3.9104 7.0269 118.5504 56.1334 32.7753 175.3256 101 S 5.0326 7.2485 110.7371 57.9860 65.0591 174.2243 102 T 5.0265 9.2010 121.2717 60.6760 70.7040 172.3087 103 T 5.1134 8.6647 124.2377 61.8582 71.2689 173.9249 104 I 4.5853 9.0233 126.6683 59.5261 40.1444 174.6374 105 K 4.5212 9.1218 127.9746 55.6270 33.9887 176.7468 106 R 5.0938 8.6545 122.7520 54.0783 32.2684 174.4932 107 K 5.0878 8.9394 123.1370 55.0705 36.0994 175.3021 108 R 4.8911 8.3124 118.9424 55.0124 32.8615 176.7410 109 D 4.4864 9.1450 121.7123 53.8713 43.1407 176.3125 110 G 3.8164 8.1353 118.7793 46.5225 0.0000 173.2128 111 D 4.6082 8.8945 123.6292 54.2334 39.9167 176.2065 112 K 4.9128 8.0482 120.3613 55.2120 35.1052 175.3931 113 L 4.7129 8.6943 123.4587 53.3464 44.6146 175.2315 114 V 4.2877 8.5341 127.6454 61.9033 33.3646 174.7644 115 V 4.7278 8.9126 128.1610 61.6580 33.8590 174.2530 116 E 5.3006 8.5067 129.1229 53.7686 33.1787 174.7459 *118 V 4.2590 8.0493 118.3542 63.7869 33.0738 175.1674 119 M 4.8071 8.7182 126.9010 54.5493 34.7699 176.4018 120 K 3.8622 9.3224 130.1382 57.1156 30.4699 177.1785 121 G 3.9317 9.2668 112.1883 47.5877 0.0000 175.3800 122 V 3.8850 7.5169 112.4545 61.5522 32.2543 175.5726 123 T 4.5601 8.0963 118.7355 62.3266 71.4117 173.5125 124 S 4.8063 8.2005 121.7758 57.8756 64.4669 172.7663 125 T 5.0024 9.2672 122.6333 61.8956 71.8957 173.1623 126 R 5.2624 8.8830 124.6985 53.3955 34.3918 174.7265 127 V 5.0210 7.9140 114.9957 59.9667 34.8930 174.3979 128 Y 5.4306 9.0531 120.4615 56.4479 42.6120 174.0321 129 E 5.4692 9.4694 117.2853 54.7259 33.5999 174.8672 130 R 3.7866 8.6738 119.3410 56.6733 30.7713 176.5429 131 A 4.2021 8.5373 124.2411 52.2315 18.0148 177.2850 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 C 8.20 4.78 0.00 3.10 2.40 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 2 D 9.18 4.58 0.00 2.92 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 3 A 9.11 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.91 4.93 0.00 3.06 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 5 V 8.11 3.95 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 0.76 0.00 0.00 1.04 0.00 0.00 6 G 7.96 3.77 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 0.00 0.00 0.00 7 T 7.98 4.94 4.14 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 1.24 0.00 0.00 8 W 9.17 5.42 0.00 3.30 3.30 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 9 K 9.47 5.08 0.00 1.70 1.73 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.41 7.81 10 L 7.92 3.70 0.00 1.01 1.32 0.29 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.92 4.48 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 0.76 0.00 0.00 0.98 0.00 0.00 12 S 7.43 4.59 0.00 3.79 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 13 S 8.43 4.96 0.00 3.69 3.67 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 14 E 9.12 4.56 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 2.22 2.27 0.00 15 N 9.06 4.43 0.00 3.17 2.97 0.00 0.00 6.79 8.13 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 16 F 8.31 4.94 0.00 3.07 3.09 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 17 D 8.11 4.05 0.00 2.68 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 18 D 8.02 4.39 0.00 2.87 2.71 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 0.00 0.00 0.00 0.00 19 Y 8.19 4.40 0.00 3.20 3.28 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 20 M 8.14 3.68 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 21 K 7.36 3.98 0.00 1.92 1.87 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.45 7.81 22 E 7.35 4.07 0.00 2.26 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 2.48 2.48 0.00 23 V 7.06 3.88 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 0.71 0.00 0.00 0.43 0.00 0.00 24 G 7.59 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 25 V 7.52 3.76 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 0.70 0.00 0.00 0.81 0.00 0.00 26 G 8.53 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 0.00 0.00 0.00 27 F 8.88 3.79 0.00 3.10 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 28 A 8.33 4.16 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 29 T 7.82 3.97 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 1.27 0.00 0.00 30 R 8.35 3.68 0.00 1.70 2.01 0.00 3.20 0.00 0.00 2.94 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.00 31 K 7.31 3.77 0.00 1.63 1.68 0.00 1.25 0.00 0.00 1.52 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.32 7.81 32 V 7.25 3.63 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 0.51 0.00 0.00 0.90 0.00 0.00 33 A 7.21 3.36 0.97 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 0.00 0.00 34 G 7.43 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 35 M 7.32 4.22 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 36 A 7.63 4.60 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 37 K 8.15 4.48 0.00 1.70 1.72 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.40 7.81 38 P 0.00 4.82 0.00 2.28 2.32 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 39 N 9.18 5.25 0.00 2.73 2.85 0.00 0.00 6.91 8.47 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 40 M 9.11 4.83 0.00 1.84 1.65 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 41 I 8.91 5.08 1.92 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 1.26 0.58 0.95 0.00 0.00 42 I 8.76 5.23 2.30 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 1.31 0.84 0.99 0.00 0.00 43 S 9.23 5.11 0.00 3.81 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 44 V 8.18 4.62 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 0.92 0.00 0.00 45 N 9.01 4.83 0.00 2.65 2.55 0.00 0.00 7.02 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 46 G 8.15 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 47 D 8.60 4.51 0.00 2.76 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 48 L 7.32 4.50 0.00 1.75 1.62 0.82 0.66 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 49 V 8.57 4.53 0.73 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 0.63 0.00 0.00 0.65 0.00 0.00 50 T 8.66 4.97 4.18 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 1.19 0.00 0.00 51 I 8.81 4.88 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.26 0.91 0.00 0.00 52 R 9.45 5.19 0.00 1.82 1.75 0.00 3.04 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 53 S 9.15 5.18 0.00 3.90 3.67 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 54 E 9.16 5.14 0.00 1.96 1.83 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 2.22 2.23 0.00 55 S 8.47 5.07 0.00 3.99 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 56 T 8.88 3.69 4.31 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 1.26 0.00 0.00 57 F 7.63 4.78 0.00 3.02 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 58 K 8.34 3.28 0.00 0.79 1.28 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.96 1.06 7.81 59 N 8.49 5.30 0.00 2.53 2.68 0.00 0.00 6.87 7.54 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 60 T 8.52 4.63 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 1.15 0.00 0.00 61 E 8.73 4.79 0.00 1.94 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 2.18 2.32 0.00 62 I 8.75 4.40 1.99 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 1.55 0.54 1.16 0.00 0.00 63 S 8.54 5.18 0.00 3.69 3.66 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 64 F 8.36 4.48 0.00 2.14 1.62 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 65 K 8.29 4.85 0.00 1.63 1.71 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.35 7.81 66 L 8.50 4.25 0.00 1.79 1.65 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.36 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 68 V 7.27 4.21 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 0.85 0.00 0.00 0.97 0.00 0.00 69 E 8.91 4.42 0.00 2.05 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 2.30 2.31 0.00 70 F 9.19 5.15 0.00 3.09 3.06 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 0.00 0.00 0.00 71 D 8.80 4.96 0.00 2.64 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 72 E 8.86 4.68 0.00 1.92 1.52 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 2.14 2.31 0.00 73 I 8.31 4.84 1.85 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 1.39 1.01 0.87 0.00 0.00 74 T 8.32 3.98 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 1.03 0.00 0.00 75 A 8.50 3.84 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 76 D 8.05 4.66 0.00 2.80 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 77 D 7.85 4.33 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 4.38 0.00 1.44 1.23 0.00 2.21 0.00 0.00 2.66 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.37 0.00 79 K 8.33 4.38 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.44 7.81 80 V 8.46 4.54 2.02 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 0.13 0.00 0.00 0.83 0.00 0.00 81 K 8.83 4.29 0.00 1.83 1.65 0.00 1.48 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 82 S 7.93 5.20 0.00 2.72 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 83 I 7.61 4.64 1.85 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 1.50 1.40 0.90 0.00 0.00 84 I 8.64 5.19 1.62 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 1.19 0.46 0.88 0.00 0.00 85 T 8.70 4.87 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 1.24 0.00 0.00 86 L 8.59 4.71 0.00 1.72 1.69 1.00 1.30 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 87 D 9.38 4.67 0.00 2.73 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 88 G 9.55 3.76 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 0.00 0.00 0.00 89 G 8.52 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 90 A 7.65 5.02 1.30 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 0.00 0.00 91 L 8.59 4.59 0.00 1.13 1.22 0.79 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.81 4.41 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 0.84 0.00 0.00 0.98 0.00 0.00 93 Q 8.78 5.02 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 94 V 8.48 4.81 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 0.94 0.00 0.00 0.93 0.00 0.00 95 Q 9.33 4.91 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 96 K 8.51 5.22 0.00 1.74 1.71 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.38 7.81 97 W 8.95 4.62 0.00 3.36 3.18 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 98 D 10.29 4.09 0.00 2.59 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 99 G 8.30 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 0.00 100 K 7.03 3.91 0.00 0.79 0.93 0.00 1.21 0.00 0.00 0.70 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.06 1.04 7.81 101 S 7.25 5.03 0.00 3.74 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 0.00 102 T 9.20 5.03 4.66 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 1.48 0.00 0.00 103 T 8.66 5.11 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 1.27 0.00 0.00 104 I 9.02 4.59 1.84 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 1.26 0.83 0.85 0.00 0.00 105 K 9.12 4.52 0.00 1.62 1.69 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.39 7.81 106 R 8.65 5.09 0.00 1.59 1.55 0.00 2.83 0.00 0.00 2.93 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 107 K 8.94 5.09 0.00 1.85 1.93 0.00 1.27 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.38 7.81 108 R 8.31 4.89 0.00 1.55 1.77 0.00 3.08 0.00 0.00 2.70 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.96 0.00 109 D 9.14 4.49 0.00 2.69 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 0.00 110 G 8.14 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 0.00 0.00 0.00 111 D 8.89 4.61 0.00 2.86 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 0.00 112 K 8.05 4.91 0.00 1.89 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.56 7.81 113 L 8.69 4.71 0.00 0.67 1.13 -0.63 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.53 4.29 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 0.84 0.00 0.00 0.93 0.00 0.00 115 V 8.91 4.73 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 0.85 0.00 0.00 0.77 0.00 0.00 116 E 8.51 5.30 0.00 1.91 1.81 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 2.20 2.03 0.00 *118 V 8.05 4.26 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 0.98 0.00 0.00 0.92 0.00 0.00 119 M 8.72 4.81 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 120 K 9.32 3.86 0.00 1.98 1.63 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.35 7.81 121 G 9.27 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 0.00 122 V 7.52 3.89 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 0.96 0.00 0.00 1.21 0.00 0.00 123 T 8.10 4.56 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 1.16 0.00 0.00 124 S 8.20 4.81 0.00 4.09 3.39 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 0.00 125 T 9.27 5.00 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 126 R 8.88 5.26 0.00 1.74 1.68 0.00 2.30 0.00 0.00 2.94 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.00 127 V 7.91 5.02 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 0.78 0.00 0.00 0.91 0.00 0.00 128 Y 9.05 5.43 0.00 2.88 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 0.00 129 E 9.47 5.47 0.00 2.10 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 0.00 2.27 2.35 0.00 130 R 8.67 3.79 0.00 1.50 1.58 0.00 3.03 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 131 A 8.54 4.20 1.20 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 * Residues marked with a * may have inaccurate shift predictions.