NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Q 4.3788 8.3293 119.1191 55.0371 29.8129 173.9942 12 R 4.5879 8.0472 117.2186 52.5458 32.2330 172.3531 13 K 4.6384 8.3031 116.5162 55.1122 36.5976 177.1278 14 V 4.1557 8.1317 119.4891 61.6920 32.9727 175.0837 15 V 4.3348 7.9034 123.5092 60.7143 33.3743 176.1088 16 S 4.3019 8.4408 121.2009 57.9196 64.2065 174.7104 17 W 4.3640 8.9393 135.0000 60.6368 30.4557 178.2441 18 I 2.0736 7.6300 119.2362 64.1420 35.4479 178.0251 19 D 4.2058 7.7078 118.6767 56.7167 40.4387 179.0167 20 V 3.5156 7.3624 119.4749 66.1699 31.5920 177.6480 21 Y 4.0954 7.3543 117.2116 59.7841 37.7296 177.7490 22 T 3.8584 7.0756 117.1988 66.6201 68.6950 175.6265 23 R 4.1326 7.2357 117.0979 57.4335 30.8067 177.4172 24 A 4.3106 7.4127 120.4884 54.0952 19.3017 177.6742 25 T 4.5468 7.8174 112.2675 62.8059 69.3828 173.5157 26 C 4.3498 8.7770 124.8354 57.8633 42.2228 172.5672 27 Q 4.6269 8.4604 122.4290 54.3102 32.4825 171.7573 28 P 4.9493 0.0000 0.0000 62.6368 31.8792 176.4484 29 R 4.7248 9.2166 120.3943 54.1759 33.6618 173.8738 30 E 4.4609 8.7771 121.6195 56.3293 30.3367 175.9610 31 V 4.5063 8.5458 127.0437 60.9198 34.8569 174.9724 32 V 4.2916 8.4966 121.1321 61.3244 32.6329 175.6391 33 V 4.3605 8.9083 124.9542 60.3164 34.1741 172.8369 34 P 4.6821 0.0000 0.0000 62.3540 31.9996 176.1712 35 L 4.3442 8.7443 125.9672 54.7410 41.8550 176.6732 36 T 4.7153 8.3239 114.1421 59.2015 71.5233 175.6339 37 V 4.5117 8.1493 121.3459 64.0130 31.7265 177.3824 38 E 4.0983 8.1316 119.4179 58.3617 29.8392 177.3708 39 L 4.3488 7.4202 119.4194 56.1703 43.0581 176.3689 40 M 4.7847 8.3541 116.3557 53.0141 33.8248 176.1353 41 G 4.0268 8.4532 114.5301 45.2229 0.0000 172.9041 42 T 4.0949 8.4448 113.6481 61.8398 68.5227 174.3284 43 V 4.2916 8.0078 118.3948 61.2682 34.2011 175.4407 44 A 4.5063 7.3690 119.0575 51.1891 21.5707 176.2573 45 K 4.1442 8.0986 120.1514 58.8742 32.0049 178.1177 46 Q 4.5553 7.7849 119.0214 54.3081 32.5050 173.7183 47 L 4.8838 8.5646 125.5768 53.2747 44.6745 175.3875 48 V 4.4940 8.4106 122.8148 60.2754 34.2029 173.5974 49 P 4.7260 0.0000 0.0000 62.5798 32.1648 176.7805 50 S 4.6007 8.7757 112.9052 59.0929 63.8814 172.9504 51 C 5.1393 7.6383 113.8475 57.4479 32.8741 173.2414 52 V 4.7332 8.6488 113.1857 59.9723 36.3094 174.0571 53 T 5.1179 8.4185 111.0683 60.2813 70.6681 174.0755 54 V 4.6617 8.4168 117.6963 59.3426 36.8115 174.9753 55 Q 4.6612 9.3497 122.9017 56.1667 29.3164 175.4937 56 R 4.9133 9.2247 123.5023 54.2363 34.4244 175.2120 57 C 4.9453 9.2284 119.1754 56.7908 38.8882 172.9947 58 G 4.0637 8.6246 110.7313 44.3581 0.0000 169.3672 59 G 4.3611 9.1876 104.1026 44.2274 0.0000 172.6502 60 C 4.7672 8.5430 111.9583 56.8155 32.7057 173.0208 61 C 4.6215 8.5015 119.1715 55.7853 41.0257 172.2738 62 P 4.3197 0.0000 0.0000 65.6482 30.9143 177.0155 63 D 4.6366 7.7860 117.0570 53.3141 42.0959 176.4494 64 D 4.3175 8.7178 124.6483 57.2291 41.5631 177.0271 65 G 3.9898 8.2075 106.4944 45.3828 0.0000 171.8904 66 L 5.1270 7.5175 119.6665 52.5811 43.8254 176.0162 67 E 4.5547 8.8096 122.4673 55.0248 32.4344 174.6975 68 C 4.7838 8.6517 121.9853 55.7435 45.3623 172.9302 69 V 4.7778 8.2373 119.5578 58.4217 35.4906 174.0329 70 P 4.6607 0.0000 0.0000 63.1464 32.0148 176.4676 71 T 4.1266 9.0557 113.2355 64.3425 69.2785 175.0231 72 G 4.4670 7.8480 108.8548 43.9674 0.0000 170.9865 73 Q 5.2904 8.6624 118.8565 54.3075 32.0946 173.9387 74 H 4.9817 9.4027 116.7082 53.9025 31.6846 172.3762 75 Q 4.4078 8.8126 121.9655 55.6108 29.3081 175.6902 76 V 4.5079 8.4391 118.0845 59.6070 34.4503 175.0054 77 R 5.0887 8.4517 119.5265 54.7977 31.5869 175.0743 78 M 4.8546 9.2357 121.4690 53.3363 36.0207 174.5103 79 Q 4.5904 8.6515 123.7741 56.0572 30.0929 175.1104 80 I 4.6584 8.6394 126.6847 59.2000 41.7751 174.3698 81 L 4.3196 8.5659 128.7157 55.2893 43.1928 175.6586 82 M 4.6283 9.1058 128.3471 54.0525 32.9131 176.1293 83 I 4.2227 8.1909 125.4703 60.2278 37.3354 174.4659 84 R 4.8159 8.2987 126.5379 54.5701 31.9606 176.4055 85 Y 4.0371 8.6264 121.6638 59.1394 38.7722 175.4138 86 P 4.3387 0.0000 0.0000 64.8580 31.6316 176.9075 87 S 4.3075 7.1883 110.3799 56.9503 65.2847 173.8892 88 S 4.6536 8.6740 124.0959 58.5864 63.3504 172.7110 89 Q 4.6852 8.8399 124.1448 54.3725 32.3604 174.3352 90 L 4.4557 8.7060 123.9033 54.5507 41.8726 175.8260 91 G 4.3239 8.7259 119.6069 45.1795 0.0000 169.6835 92 E 5.3756 8.6920 121.7678 54.7447 33.0182 175.7497 93 M 5.1227 9.2043 122.9060 53.6395 35.4629 173.8342 94 S 5.2484 8.5302 112.6286 56.7688 66.3886 173.2058 95 L 4.8135 8.8612 120.4649 53.0074 46.4491 175.0218 96 E 4.4445 8.6993 122.9995 56.0808 30.6151 175.4465 97 E 4.6146 8.5356 127.1887 54.6327 33.0015 174.5349 98 H 4.8277 8.6695 123.8949 56.3860 29.3660 175.1709 99 S 4.6657 8.9957 117.1708 60.1472 64.1663 174.3903 100 Q 4.6634 7.7933 118.5660 54.9126 32.5597 173.5346 101 C 5.6507 8.7251 119.9540 55.2261 38.6090 172.7484 102 E 4.8256 8.9912 117.5152 55.2563 33.4522 173.2598 103 C 5.5146 8.6055 117.5656 54.9559 38.6932 173.5605 104 R 4.8713 8.3264 122.2714 53.3727 33.4127 173.7639 105 P 4.8250 0.0000 0.0000 62.9145 32.0492 176.2673 106 K 4.4535 8.3457 125.0280 56.2202 33.4079 177.1700 107 K 4.2273 8.6597 124.1854 56.3687 34.2796 177.9042 *108 K 4.1936 7.9322 124.0787 54.6131 32.3269 177.3109 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 11 Q 8.33 4.38 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 12 R 8.05 4.59 0.00 1.94 1.89 0.00 2.95 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 13 K 8.30 4.64 0.00 1.82 1.76 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.40 7.81 14 V 8.13 4.16 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 0.81 0.00 0.00 0.94 0.00 0.00 15 V 7.90 4.33 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 0.84 0.00 0.00 0.94 0.00 0.00 16 S 8.44 4.30 0.00 3.94 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 17 W 8.94 4.36 0.00 3.42 3.31 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 18 I 7.63 2.07 1.67 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 1.55 0.44 0.62 0.00 0.00 19 D 7.71 4.21 0.00 2.74 2.62 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 20 V 7.36 3.52 2.32 0.00 0.00 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 0.00 0.00 1.02 0.00 0.00 21 Y 7.35 4.10 0.00 3.01 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 22 T 7.08 3.86 4.06 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 1.15 0.00 0.00 23 R 7.24 4.13 0.00 1.94 1.96 0.00 3.29 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 24 A 7.41 4.31 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 25 T 7.82 4.55 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 1.20 0.00 0.00 26 C 8.78 4.35 0.00 2.98 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 27 Q 8.46 4.63 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 28 P 0.00 4.95 0.00 1.97 2.06 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 29 R 9.22 4.72 0.00 1.78 1.96 0.00 2.78 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 30 E 8.78 4.46 0.00 2.00 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 2.29 2.31 0.00 31 V 8.55 4.51 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 0.93 0.00 0.00 0.99 0.00 0.00 32 V 8.50 4.29 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 0.70 0.00 0.00 0.93 0.00 0.00 33 V 8.91 4.36 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 0.97 0.00 0.00 0.92 0.00 0.00 34 P 0.00 4.68 0.00 1.97 1.98 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 35 L 8.74 4.34 0.00 1.72 1.63 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.32 4.72 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 1.21 0.00 0.00 37 V 8.15 4.51 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 0.68 0.00 0.00 0.93 0.00 0.00 38 E 8.13 4.10 0.00 1.98 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 2.31 2.29 0.00 39 L 7.42 4.35 0.00 1.70 1.67 0.92 0.86 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 40 M 8.35 4.78 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.74 0.00 41 G 8.45 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 42 T 8.44 4.09 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 1.21 0.00 0.00 43 V 8.01 4.29 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 0.75 0.00 0.00 0.93 0.00 0.00 44 A 7.37 4.51 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 45 K 8.10 4.14 0.00 1.89 1.84 0.00 1.42 0.00 0.00 1.50 0.00 0.00 2.65 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.42 1.31 7.81 46 Q 7.78 4.56 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 47 L 8.56 4.88 0.00 1.68 1.55 0.92 0.78 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 48 V 8.41 4.49 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 1.01 0.00 0.00 0.94 0.00 0.00 49 P 0.00 4.73 0.00 2.41 2.16 0.00 3.74 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 2.16 1.95 0.00 50 S 8.78 4.60 0.00 3.92 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 0.00 51 C 7.64 5.14 0.00 3.21 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 52 V 8.65 4.73 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 0.71 0.00 0.00 0.92 0.00 0.00 53 T 8.42 5.12 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 1.21 0.00 0.00 54 V 8.42 4.66 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 0.78 0.00 0.00 0.90 0.00 0.00 55 Q 9.35 4.66 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 56 R 9.22 4.91 0.00 1.64 1.82 0.00 3.19 0.00 0.00 2.93 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 57 C 9.23 4.95 0.00 2.82 3.05 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 58 G 8.62 4.06 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 0.00 0.00 0.00 59 G 9.19 4.36 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 0.00 60 C 8.54 4.77 0.00 3.08 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 61 C 8.50 4.62 0.00 3.11 3.04 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 0.00 0.00 0.00 62 P 0.00 4.32 0.00 2.02 2.08 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 63 D 7.79 4.64 0.00 2.75 2.52 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 0.00 0.00 0.00 64 D 8.72 4.32 0.00 2.66 2.68 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 0.00 0.00 0.00 0.00 65 G 8.21 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 66 L 7.52 5.13 0.00 1.68 1.57 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.81 4.55 0.00 2.05 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 2.35 2.23 0.00 68 C 8.65 4.78 0.00 3.00 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 69 V 8.24 4.78 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 0.75 0.00 0.00 0.97 0.00 0.00 70 P 0.00 4.66 0.00 2.05 1.62 0.00 3.69 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 1.90 1.68 0.00 71 T 9.06 4.13 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 1.22 0.00 0.00 72 G 7.85 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 0.00 0.00 0.00 0.00 73 Q 8.66 5.29 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 74 H 9.40 4.98 0.00 3.14 3.38 0.00 5.26 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.81 4.41 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 76 V 8.44 4.51 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 0.70 0.00 0.00 0.86 0.00 0.00 77 R 8.45 5.09 0.00 1.85 1.88 0.00 3.34 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 78 M 9.24 4.85 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 79 Q 8.65 4.59 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 80 I 8.64 4.66 1.87 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 1.11 0.82 0.91 0.00 0.00 81 L 8.57 4.32 0.00 1.82 1.77 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 82 M 9.11 4.63 0.00 2.13 2.12 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 2.51 0.00 83 I 8.19 4.22 2.05 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 1.29 1.05 0.00 0.00 84 R 8.30 4.82 0.00 1.85 1.99 0.00 3.19 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 85 Y 8.63 4.04 0.00 2.93 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 86 P 0.00 4.34 0.00 2.07 2.13 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 87 S 7.19 4.31 0.00 3.83 3.71 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 88 S 8.67 4.65 0.00 3.92 3.70 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 89 Q 8.84 4.69 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 90 L 8.71 4.46 0.00 1.66 1.66 0.91 1.00 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 91 G 8.73 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.69 5.38 0.00 1.92 1.76 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 2.17 2.28 0.00 93 M 9.20 5.12 0.00 2.06 2.09 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 2.46 2.45 0.00 94 S 8.53 5.25 0.00 3.82 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 95 L 8.86 4.81 0.00 1.51 1.49 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.70 4.44 0.00 1.96 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 2.26 2.29 0.00 97 E 8.54 4.61 0.00 1.88 1.71 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 2.21 2.38 0.00 98 H 8.67 4.83 0.00 3.12 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 9.00 4.67 0.00 3.85 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 0.00 100 Q 7.79 4.66 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 101 C 8.73 5.65 0.00 2.83 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 0.00 102 E 8.99 4.83 0.00 1.97 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 2.17 2.27 0.00 103 C 8.61 5.51 0.00 2.86 3.05 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 0.00 104 R 8.33 4.87 0.00 1.72 1.78 0.00 3.12 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 105 P 0.00 4.83 0.00 1.93 1.98 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 106 K 8.35 4.45 0.00 1.58 1.73 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.52 7.81 107 K 8.66 4.23 0.00 1.73 1.67 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.95 7.81 *108 K 7.93 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.10 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.