NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.3995 8.1927 115.2905 58.0062 63.8934 173.6093 13 D 4.1279 8.6463 118.7927 57.1933 40.8481 177.0370 14 L 4.0813 8.0871 119.2664 57.5932 42.1098 178.6404 15 G 3.9153 8.1718 105.3167 48.1753 0.0000 175.1809 16 K 3.9042 7.9968 122.5092 59.0006 32.1468 179.0453 17 K 4.0402 7.8217 118.8591 59.1510 31.9184 179.1774 18 L 3.9695 8.3670 121.2466 57.9150 42.0221 178.9156 19 L 3.9778 8.1011 119.0865 58.0594 41.6279 179.4883 20 E 3.9830 8.2845 118.1365 59.2407 29.3718 179.2497 21 A 3.9610 8.4766 121.1139 55.0656 18.4841 179.5723 22 A 3.9089 8.1518 119.3028 55.2863 18.2553 179.8042 23 R 3.8678 7.9092 115.8699 59.4129 30.3063 177.9368 24 A 4.3329 7.9534 117.7033 52.0911 18.6885 177.8806 25 G 3.4052 7.4792 104.7266 46.5330 0.0000 175.5987 26 Q 4.2866 7.8457 121.5806 54.2962 27.3775 175.8432 27 D 4.3243 8.2039 125.6354 56.0314 39.8253 178.1412 28 D 4.3104 8.0043 120.1721 56.2830 39.3745 178.0686 29 E 3.8831 8.0824 120.5508 58.7630 29.7596 178.5484 30 V 3.5475 7.9680 118.4490 66.1915 31.5314 178.2443 31 R 3.8995 8.0101 117.5361 59.2376 29.8575 179.1142 32 I 3.6547 8.1224 119.8883 64.5215 37.2007 178.4267 33 L 3.9702 8.5376 120.0794 58.2391 41.4201 179.6637 34 M 4.0960 8.1293 118.2562 58.1201 31.7117 178.5894 35 A 4.0783 7.7712 120.1888 55.1001 18.5733 178.6772 36 N 4.6911 8.0380 111.9001 53.6849 38.4884 176.1217 37 G 3.9220 7.8961 108.5084 44.8827 0.0000 174.1471 38 A 4.0083 7.6838 123.0050 51.7337 19.0548 177.3002 39 D 4.4914 8.6395 122.7702 53.6640 41.6163 177.5465 40 V 3.7268 8.5072 126.8081 64.0825 31.6027 176.2213 41 N 4.8932 8.0619 117.5763 52.5771 39.2032 175.1274 42 A 4.1881 7.9690 120.7868 52.3623 19.0028 177.3327 43 E 5.1052 8.4430 119.3357 54.4140 32.5498 176.6253 44 D 4.8552 8.5613 122.5709 52.5706 41.5597 176.7277 45 T 4.0268 8.2620 107.7147 63.9286 69.1989 174.4170 46 Y 4.4253 8.0249 119.3414 57.5314 38.1146 176.7787 47 G 2.7054 7.4953 108.6261 44.7318 0.0000 172.9303 48 D 4.4446 8.1534 120.7958 53.4019 41.8353 176.6677 49 T 5.4462 8.2720 115.6336 59.5733 71.7141 173.9758 50 P 4.2147 0.0000 0.0000 65.6867 31.2080 178.7506 51 L 3.8904 7.8177 118.7153 58.2248 42.0521 178.3776 52 H 4.1325 7.9397 115.8336 59.0695 28.7179 177.7583 53 L 3.9714 8.1399 120.3843 57.7430 41.3778 179.5277 54 A 3.9908 8.3685 120.8482 55.0805 18.2885 179.5817 55 A 3.8869 8.1207 119.3771 55.0624 18.1820 179.9273 56 R 3.9396 7.9455 116.7175 59.6211 30.3796 178.8883 57 V 3.8630 7.5476 117.0030 62.6739 31.6686 176.9181 58 G 3.6416 7.8299 107.6257 45.6752 0.0000 174.8124 59 H 4.6288 7.7370 118.8330 53.8559 27.5728 175.0605 60 L 3.9074 8.1217 127.3076 58.0113 42.1461 178.0453 61 E 3.9480 8.1065 117.9734 59.4809 29.4082 179.2968 62 I 3.6805 7.6299 119.3020 64.2467 37.2395 178.1968 63 V 3.4920 7.8762 119.2207 66.3160 31.2247 178.0176 64 E 3.7808 8.2872 118.0914 59.1864 29.1687 179.4002 65 V 3.5587 7.7292 118.3326 65.9548 31.5898 178.1746 66 L 3.9560 8.0047 118.6867 57.8745 41.0119 179.3933 67 L 3.8389 7.8298 118.9375 57.7975 41.1805 179.8485 68 K 4.2369 7.9282 117.3846 58.5090 31.9237 178.0372 69 N 4.9595 7.6024 115.5321 52.7454 39.1365 175.5524 70 G 3.8584 7.6746 106.4318 45.4339 0.0000 174.2341 71 A 4.0187 7.6837 122.0550 51.9791 19.0122 177.9506 72 D 4.4866 9.3732 122.8835 53.5950 40.8364 177.4687 73 V 3.6848 8.4638 127.5605 63.9979 31.4491 176.5959 74 N 4.9129 8.3024 117.2330 52.4319 39.2244 174.5761 75 A 4.0973 7.7423 121.1479 52.3918 18.9907 177.4729 76 L 5.0804 8.3357 121.7949 52.8006 43.6360 176.7167 77 D 4.7216 8.7418 123.7674 51.8040 40.5582 176.8048 78 F 4.7953 8.1493 116.8794 59.0643 38.9798 176.5617 79 S 4.4980 8.7589 115.8667 57.9309 63.3117 175.6616 80 G 4.0339 8.5597 110.0926 45.8609 0.0000 173.2599 81 S 4.5774 7.9790 116.2141 57.6534 63.8425 173.9294 82 T 5.5704 8.3777 116.2205 59.3211 71.8862 174.0256 83 P 4.2125 0.0000 0.0000 65.7131 31.1739 178.6600 84 L 3.9186 7.8340 118.5994 58.3500 42.0411 178.3418 85 H 4.1570 7.9074 116.1754 59.2162 28.7417 177.7569 86 L 4.0412 7.7525 119.8284 57.6105 41.4857 179.4420 87 A 4.2229 8.4147 121.9548 54.4239 18.1920 179.5661 88 A 3.8976 8.1736 119.4323 55.2699 18.2954 179.7596 89 K 3.9180 7.9111 116.8191 59.2252 32.3297 178.1945 90 R 4.3664 7.7097 115.3419 55.2169 30.3047 176.6620 91 G 3.3565 7.3797 106.8799 47.1891 0.0000 175.3848 92 H 4.6790 7.7159 119.4892 53.5269 27.1447 175.0913 93 L 3.9230 7.9795 126.5986 58.2493 42.3654 178.1015 94 E 4.4461 8.0220 119.1262 58.6886 29.3451 179.3416 95 I 3.6709 7.6744 119.6890 64.1677 37.2278 177.9725 96 V 3.5307 7.8570 119.3223 66.3543 31.1051 177.8766 97 E 3.9217 8.1900 118.0530 59.4939 29.3499 179.8530 98 V 3.7789 7.8537 119.1056 64.5566 31.4914 178.5379 99 L 3.9597 8.2440 120.1223 57.6044 41.4891 179.3396 100 L 3.6656 7.9437 119.1426 57.5351 41.1603 179.4870 101 K 4.0864 7.9747 118.6455 59.2694 32.1069 177.3252 102 Y 4.5088 7.9333 115.1073 57.6017 38.0724 175.9648 103 G 3.8574 7.8854 106.9340 45.6331 0.0000 174.2380 104 A 4.0821 7.8271 122.0555 51.8900 18.8228 178.1441 105 D 4.5158 9.6034 122.3399 53.6018 40.8051 177.6404 106 V 3.6749 8.4272 127.4630 63.9083 31.7437 176.7504 107 N 4.8692 8.1567 116.2877 52.5669 39.0770 174.5155 108 A 4.1228 7.7015 123.0017 52.4066 18.9280 177.1236 109 D 5.4762 8.5144 121.4248 51.4367 42.2290 176.2318 110 D 5.1956 8.6805 121.4823 51.9204 41.8112 176.7018 111 T 3.9351 7.8826 107.8277 64.3400 69.0883 174.8754 112 I 4.0164 8.0339 121.2113 60.4410 37.9636 176.3103 113 G 3.8903 8.3083 107.1997 45.9598 0.0000 173.7293 114 S 4.1487 8.3545 117.0166 58.2302 63.5952 174.1070 115 T 5.4115 8.1164 116.2274 59.0501 72.0112 173.9172 116 P 4.2921 0.0000 0.0000 65.7038 31.2111 178.6636 117 L 3.9457 7.9263 118.5281 58.4310 42.0020 178.2907 118 H 4.1273 8.0132 115.8291 59.2203 28.7295 177.7440 119 L 4.0130 8.0738 120.1912 57.8031 41.4652 179.5165 120 A 4.1010 8.4389 120.7952 54.8058 18.2803 179.6457 121 A 3.9116 8.1885 119.5266 55.4380 18.3021 179.2491 122 D 4.3336 8.2084 115.7995 57.2548 41.3291 177.6370 123 T 4.3892 7.5488 106.8540 60.9850 69.1199 175.1932 124 G 3.7932 7.7319 108.8240 47.4149 0.0000 175.4198 125 H 4.6256 7.9237 119.5129 54.0224 27.1952 175.4153 126 L 3.9630 8.0702 126.9798 58.0874 42.3329 178.0446 127 E 4.4390 8.0432 119.3866 58.8771 29.3929 179.2473 128 I 3.7467 7.7031 119.5681 64.1819 37.2541 178.2149 129 V 3.6061 8.0299 119.3130 66.2427 31.1771 177.9336 130 E 3.9873 8.3456 118.1076 59.3876 29.4084 179.5535 131 V 3.6947 7.8653 118.2385 66.0262 31.6479 177.9801 132 L 4.0926 8.2071 118.8892 57.9281 41.4749 179.5844 133 L 4.0499 8.1556 118.8356 57.8275 41.3807 179.7697 134 K 4.1075 8.0657 117.0292 58.7405 31.9679 177.9344 135 Y 4.2924 7.5561 114.9173 57.5011 38.0201 175.9499 136 G 4.0113 7.9137 108.2512 45.1855 0.0000 174.0061 137 A 4.1045 7.7916 122.2778 52.0071 18.9971 178.0178 138 D 4.5922 9.8298 123.2824 53.1630 40.6200 177.5459 139 V 3.7533 8.3565 127.2770 63.9221 31.6959 176.6796 140 N 4.7293 8.4001 116.4259 52.7083 38.6143 174.9479 141 A 4.2140 7.8481 122.8644 52.1207 19.0700 176.9262 142 Q 4.9502 8.3682 120.7312 53.8304 31.5281 175.6108 143 D 4.8812 8.9474 121.5234 51.6352 40.5119 177.2976 144 K 3.8207 8.4779 118.5743 59.1212 32.3217 177.7598 145 F 4.5175 7.9674 116.6086 57.4525 39.2188 176.3482 146 G 4.0002 8.3871 109.5719 45.0596 0.0000 173.8020 147 K 4.4302 8.6460 120.5268 56.0177 32.9891 177.1940 148 T 5.0834 9.2001 115.9296 59.6721 71.8755 175.8751 149 A 3.9774 8.2450 122.1096 55.0426 18.2618 179.4949 150 F 4.0650 8.2337 118.6994 61.6733 39.5976 176.5925 151 D 4.2509 8.1114 118.3961 57.6605 40.6627 179.1222 152 I 3.6762 7.8141 120.0931 64.4505 37.0251 178.6143 153 S 4.0637 7.9222 114.9522 61.3730 62.7654 176.4953 154 I 3.4382 7.2888 123.3504 64.2709 36.6532 177.8447 155 D 4.3620 8.0621 118.5141 57.5283 40.7896 178.3079 156 N 4.6500 7.9878 114.1414 52.6785 38.9636 175.5612 157 G 3.6561 7.7613 108.3069 46.4367 0.0000 173.6515 158 N 4.6413 8.2602 120.8186 51.6617 38.6583 175.2716 159 E 3.9942 8.6078 125.7009 59.5661 29.8056 178.5691 160 D 4.4101 7.9839 118.4481 56.7413 41.2575 178.4305 161 L 4.1242 8.1325 118.9516 57.8190 41.7529 178.9638 162 A 4.3453 7.8818 122.0783 54.6634 17.9664 179.1333 163 E 3.9722 7.9894 116.3278 59.0554 29.8306 178.3120 164 I 4.2449 7.5897 109.5063 61.2999 38.3961 176.5227 165 L 4.4418 7.6555 121.8630 56.1478 42.1471 176.9196 *166 Q 4.1420 7.9151 122.4572 55.1558 28.8438 180.2409 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 12 S 8.19 4.40 0.00 3.87 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 13 D 8.65 4.13 0.00 2.86 2.64 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 14 L 8.09 4.08 0.00 1.73 1.69 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.17 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 16 K 8.00 3.90 0.00 1.97 2.04 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.49 7.81 17 K 7.82 4.04 0.00 1.95 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.66 7.81 18 L 8.37 3.97 0.00 1.72 1.83 0.91 0.53 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 19 L 8.10 3.98 0.00 1.89 1.71 0.94 0.96 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 20 E 8.28 3.98 0.00 2.03 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 2.54 0.00 21 A 8.48 3.96 1.33 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 22 A 8.15 3.91 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 23 R 7.91 3.87 0.00 1.96 2.09 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 24 A 7.95 4.33 1.33 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 25 G 7.48 3.41 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 0.00 26 Q 7.85 4.29 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 27 D 8.20 4.32 0.00 2.84 2.89 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 28 D 8.00 4.31 0.00 2.91 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 29 E 8.08 3.88 0.00 2.08 2.11 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 2.37 2.42 0.00 30 V 7.97 3.55 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 0.96 0.00 0.00 0.94 0.00 0.00 31 R 8.01 3.90 0.00 2.17 1.95 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 32 I 8.12 3.65 2.04 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 1.52 0.59 0.91 0.00 0.00 33 L 8.54 3.97 0.00 1.70 1.72 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.13 4.10 0.00 2.09 2.20 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 2.61 2.70 0.00 35 A 7.77 4.08 1.36 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 36 N 8.04 4.69 0.00 2.70 2.85 0.00 0.00 7.32 7.69 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 37 G 7.90 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 38 A 7.68 4.01 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 39 D 8.64 4.49 0.00 2.73 2.57 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 40 V 8.51 3.73 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 0.83 0.00 0.00 0.91 0.00 0.00 41 N 8.06 4.89 0.00 2.74 2.86 0.00 0.00 6.95 6.94 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 42 A 7.97 4.19 1.28 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 0.00 0.00 43 E 8.44 5.11 0.00 2.01 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 2.33 2.25 0.00 44 D 8.56 4.86 0.00 2.91 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 45 T 8.26 4.03 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 1.11 0.00 0.00 46 Y 8.02 4.43 0.00 3.27 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 47 G 7.50 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 0.00 0.00 0.00 48 D 8.15 4.44 0.00 2.99 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 49 T 8.27 5.45 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 1.24 0.00 0.00 50 P 0.00 4.21 0.00 2.16 2.14 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 51 L 7.82 3.89 0.00 1.68 1.57 0.82 0.97 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 52 H 7.94 4.13 0.00 3.41 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.14 3.97 0.00 1.80 1.72 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.37 3.99 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 55 A 8.12 3.89 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 56 R 7.95 3.94 0.00 1.89 2.11 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 57 V 7.55 3.86 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 0.75 0.00 0.00 0.86 0.00 0.00 58 G 7.83 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 59 H 7.74 4.63 0.00 3.17 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.12 3.91 0.00 1.72 1.66 0.90 0.95 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 61 E 8.11 3.95 0.00 2.07 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 2.38 2.46 0.00 62 I 7.63 3.68 1.99 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 1.49 0.81 0.89 0.00 0.00 63 V 7.88 3.49 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 0.98 0.00 0.00 0.88 0.00 0.00 64 E 8.29 3.78 0.00 2.16 1.96 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 2.28 2.48 0.00 65 V 7.73 3.56 2.18 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 1.01 0.00 0.00 0.99 0.00 0.00 66 L 8.00 3.96 0.00 1.78 1.63 0.90 0.52 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 67 L 7.83 3.84 0.00 1.19 0.73 0.21 0.51 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 68 K 7.93 4.24 0.00 1.91 1.91 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.69 7.81 69 N 7.60 4.96 0.00 2.71 2.81 0.00 0.00 7.17 7.51 0.00 0.00 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 G 7.67 3.86 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 0.00 0.00 0.00 71 A 7.68 4.02 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 72 D 9.37 4.49 0.00 2.75 2.58 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 73 V 8.46 3.68 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 0.95 0.00 0.00 74 N 8.30 4.91 0.00 2.70 2.84 0.00 0.00 6.95 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 75 A 7.74 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 76 L 8.34 5.08 0.00 1.70 1.67 0.97 1.13 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 77 D 8.74 4.72 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 4.80 0.00 3.08 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 79 S 8.76 4.50 0.00 4.02 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 80 G 8.56 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 81 S 7.98 4.58 0.00 4.21 3.80 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 82 T 8.38 5.57 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 1.26 0.00 0.00 83 P 0.00 4.21 0.00 2.09 2.06 0.00 3.67 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 1.94 1.73 0.00 84 L 7.83 3.92 0.00 1.69 1.58 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.91 4.16 0.00 3.41 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.75 4.04 0.00 1.71 1.72 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.41 4.22 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 88 A 8.17 3.90 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 89 K 7.91 3.92 0.00 1.91 2.00 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 90 R 7.71 4.37 0.00 1.61 1.75 0.00 3.44 0.00 0.00 3.34 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.91 0.00 91 G 7.38 3.36 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 92 H 7.72 4.68 0.00 3.18 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.98 3.92 0.00 1.75 1.67 0.94 0.96 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 94 E 8.02 4.45 0.00 2.09 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 2.41 2.33 0.00 95 I 7.67 3.67 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 0.88 0.00 0.00 96 V 7.86 3.53 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 1.07 0.00 0.00 0.93 0.00 0.00 97 E 8.19 3.92 0.00 2.25 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 0.00 2.37 2.61 0.00 98 V 7.85 3.78 2.11 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 0.89 0.00 0.00 1.06 0.00 0.00 99 L 8.24 3.96 0.00 1.75 1.69 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.94 3.67 0.00 1.16 0.13 0.60 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.97 4.09 0.00 1.95 2.12 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.53 7.81 102 Y 7.93 4.51 0.00 3.15 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 0.00 103 G 7.89 3.86 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 0.00 0.00 0.00 104 A 7.83 4.08 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 105 D 9.60 4.52 0.00 2.72 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 0.00 106 V 8.43 3.67 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 0.83 0.00 0.00 1.02 0.00 0.00 107 N 8.16 4.87 0.00 2.75 2.86 0.00 0.00 6.94 7.26 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 0.00 108 A 7.70 4.12 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 0.00 109 D 8.51 5.48 0.00 2.77 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 0.00 110 D 8.68 5.20 0.00 3.03 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 0.00 111 T 7.88 3.94 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 1.26 0.00 0.00 112 I 8.03 4.02 1.91 0.00 0.00 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 1.62 1.46 1.01 0.00 0.00 113 G 8.31 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 0.00 0.00 0.00 114 S 8.35 4.15 0.00 4.17 3.80 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 0.00 115 T 8.12 5.41 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 1.31 0.00 0.00 116 P 0.00 4.29 0.00 2.17 2.13 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 117 L 7.93 3.95 0.00 1.78 1.67 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.01 4.13 0.00 3.46 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.07 4.01 0.00 1.76 1.75 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.44 4.10 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 0.00 121 A 8.19 3.91 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 0.00 122 D 8.21 4.33 0.00 2.88 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 0.00 123 T 7.55 4.39 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 1.30 0.00 0.00 124 G 7.73 3.79 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 0.00 0.00 0.00 125 H 7.92 4.63 0.00 3.27 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.07 3.96 0.00 1.76 1.68 0.94 1.01 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 0.00 127 E 8.04 4.44 0.00 2.12 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 2.42 2.34 0.00 128 I 7.70 3.75 2.04 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.92 0.00 0.00 129 V 8.03 3.61 2.25 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 1.06 0.00 0.00 0.99 0.00 0.00 130 E 8.35 3.99 0.00 2.27 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 2.35 2.43 0.00 131 V 7.87 3.69 2.25 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 1.13 0.00 0.00 1.04 0.00 0.00 132 L 8.21 4.09 0.00 1.91 1.75 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.16 4.05 0.00 1.90 1.73 0.95 0.67 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 0.00 134 K 8.07 4.11 0.00 1.92 1.79 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 135 Y 7.56 4.29 0.00 3.14 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 0.00 136 G 7.91 4.01 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 0.00 0.00 0.00 137 A 7.79 4.10 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 0.00 138 D 9.83 4.59 0.00 2.75 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 0.00 139 V 8.36 3.75 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 0.77 0.00 0.00 0.98 0.00 0.00 140 N 8.40 4.73 0.00 2.83 2.89 0.00 0.00 6.94 7.31 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 0.00 141 A 7.85 4.21 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 0.00 142 Q 8.37 4.95 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 143 D 8.95 4.88 0.00 3.04 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 0.00 144 K 8.48 3.82 0.00 1.53 1.74 0.00 0.61 0.00 0.00 0.92 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.05 0.21 7.81 145 F 7.97 4.52 0.00 3.23 3.16 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 0.00 146 G 8.39 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 0.00 147 K 8.65 4.43 0.00 2.22 1.82 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.60 7.81 148 T 9.20 5.08 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 1.28 0.00 0.00 149 A 8.25 3.98 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 0.00 150 F 8.23 4.07 0.00 3.31 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 0.00 151 D 8.11 4.25 0.00 2.98 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 0.00 152 I 7.81 3.68 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.90 0.96 0.00 0.00 153 S 7.92 4.06 0.00 4.15 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 0.00 154 I 7.29 3.44 1.72 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.45 0.79 0.00 0.00 155 D 8.06 4.36 0.00 2.72 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 0.00 156 N 7.99 4.65 0.00 2.66 2.82 0.00 0.00 7.07 7.42 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 0.00 157 G 7.76 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 0.00 0.00 0.00 158 N 8.26 4.64 0.00 2.66 2.70 0.00 0.00 7.01 7.23 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 0.00 159 E 8.61 3.99 0.00 2.20 2.18 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 2.36 2.34 0.00 160 D 7.98 4.41 0.00 2.67 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 0.00 161 L 8.13 4.12 0.00 2.00 1.71 0.92 0.80 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 0.00 162 A 7.88 4.35 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 0.00 163 E 7.99 3.97 0.00 2.23 2.23 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 2.35 2.36 0.00 164 I 7.59 4.24 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.93 0.00 0.00 165 L 7.66 4.44 0.00 1.99 1.96 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 *166 Q 7.92 4.14 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.