NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 D 4.5539 8.3493 120.1835 55.1317 41.6466 174.8378 56 C 4.6637 8.2833 114.2380 56.8518 31.3321 172.7264 57 S 4.1658 7.3842 116.6107 58.1111 63.2743 174.1312 58 P 4.3843 0.0000 0.0000 64.5552 31.6283 177.0217 59 G 4.1265 8.0294 107.5133 46.2296 0.0000 172.3575 60 I 4.8195 7.2897 121.0860 59.8618 38.7297 175.0238 61 W 5.2776 9.3431 126.3092 54.8308 33.4488 174.0015 62 Q 5.2800 9.4058 123.8337 54.3124 31.3628 173.8749 63 L 5.2688 9.1470 128.4234 53.3011 44.3172 174.4116 64 D 4.3921 8.9408 130.0544 53.5950 46.1616 174.1271 *66 T 4.3386 8.4518 115.0125 63.0571 70.8369 172.5480 67 H 5.4334 8.4000 116.9333 54.2172 32.4874 173.5247 68 L 4.3424 9.0645 121.9533 55.4275 45.3184 174.8387 69 E 3.8214 9.8677 124.3570 57.5201 27.0392 175.5706 70 G 3.9143 8.5160 103.7761 45.7633 0.0000 174.0561 71 K 4.5966 8.3134 119.1770 54.3293 35.0535 174.7891 72 V 4.7295 8.0579 119.8657 61.3680 33.6342 174.1809 73 I 4.8478 8.4334 129.1788 59.3847 39.2845 174.8674 74 L 4.3152 8.8600 130.7012 54.1962 43.4599 175.3544 75 V 4.7960 9.0477 126.3145 61.0025 34.2689 173.7609 76 A 5.4309 9.4674 129.9568 50.1872 21.9636 174.9672 77 V 4.7411 9.1379 122.2993 61.1679 34.7308 174.1158 78 H 3.3790 8.9248 128.7739 55.2290 29.0810 175.5088 79 V 3.4504 7.9074 127.1092 66.0783 31.6932 178.3156 80 A 3.9922 7.6346 121.8689 54.1574 18.4514 177.9573 81 S 4.3996 7.3421 105.8024 57.7134 64.5519 175.6059 82 G 3.9034 8.2897 108.1658 44.8834 0.0000 172.7038 83 Y 4.4796 7.7868 122.0769 57.4863 39.7752 174.7266 84 I 5.1450 8.0901 119.1484 59.0847 40.8554 174.5253 85 E 4.9292 9.2950 122.6085 54.7715 32.9606 174.8134 86 A 5.3660 8.6653 124.1912 50.8846 22.5896 175.0020 87 E 4.7924 9.1246 117.2314 54.7083 33.4804 174.7859 88 V 4.2942 8.5627 122.4258 63.3743 32.1371 175.0342 89 I 4.8122 8.8499 121.1973 58.3340 40.3347 174.9527 90 P 4.2524 0.0000 0.0000 65.3962 31.6882 176.2358 91 A 4.5681 7.0346 116.5519 51.0523 22.3897 176.3475 92 E 4.3003 8.5105 122.8381 55.1165 28.3556 175.9521 93 T 4.8654 7.4239 112.9770 58.6728 73.7394 175.0535 94 G 3.7250 8.5618 107.8772 48.2728 0.0000 175.9358 95 Q 4.1286 8.0883 119.8579 58.6889 28.7808 178.5726 96 E 4.0925 8.0651 119.8639 59.7426 29.4807 179.5254 97 T 3.9808 8.0021 115.3522 66.4997 68.5234 176.6484 98 A 4.0342 8.5328 123.1361 55.3840 18.4761 179.0453 99 Y 3.9623 8.2133 118.0707 60.8003 38.8492 177.9868 100 F 3.9601 8.5693 121.5818 61.2755 39.4054 177.0888 101 L 4.0431 8.3543 118.7061 57.7590 41.2812 179.4866 102 L 3.9148 7.8416 118.9130 57.5478 41.1596 179.6541 103 K 3.6382 7.4978 118.3174 59.2578 31.9631 178.9692 104 L 3.5812 7.7021 120.5715 58.1839 41.7272 178.9643 105 A 4.1152 7.9842 119.3361 54.4815 18.3681 179.2124 106 G 3.6444 7.6018 103.0779 46.4527 0.0000 174.6831 107 R 4.0894 6.9901 118.6113 56.4399 31.4867 176.4066 108 W 5.1373 7.6877 115.3337 53.9471 33.1729 174.0181 109 P 4.4932 0.0000 0.0000 62.1721 29.4963 174.1758 110 V 4.1433 8.0773 124.9573 62.5412 32.1619 174.8939 111 K 4.5551 9.3450 129.3492 57.9973 33.8245 176.1125 112 T 5.7891 7.7812 108.3211 58.9132 72.6692 172.5226 113 V 5.0931 8.3501 122.2851 61.5886 34.9767 173.7165 114 H 5.5218 9.5714 126.6382 55.1372 33.2603 172.0773 115 T 4.8492 7.5679 114.0100 61.2519 69.9951 172.9030 116 D 4.5934 9.4538 124.3310 54.3235 41.3915 176.8009 117 N 4.6020 7.6815 118.2220 50.9574 39.7472 174.6186 118 G 3.4429 8.2266 115.2708 47.9662 0.0000 173.8099 119 S 4.2297 7.8823 113.9652 60.4935 63.2079 175.8370 120 N 4.2647 7.8537 118.7954 55.7499 38.2574 175.6292 121 F 5.2809 7.9725 115.1372 57.5528 39.2116 176.4176 122 T 4.3884 7.6732 112.4177 62.6163 69.7085 176.1499 123 S 4.3374 7.9102 118.2404 58.4660 65.0758 175.0066 124 T 3.9214 8.5703 121.0223 67.1319 68.2351 176.9778 125 T 3.9410 7.8602 111.2750 64.6753 68.6772 176.7525 126 V 3.5861 7.6076 120.1232 65.7873 31.7273 177.7000 127 K 4.0680 7.9706 116.5990 59.6532 32.0781 178.8399 128 A 4.3781 8.2311 120.7285 54.8303 18.2202 179.6293 129 A 4.3776 7.9066 116.8855 52.5706 18.3726 179.1842 *131 W 4.6949 7.9220 131.5947 58.7471 32.4787 177.3050 132 W 3.1035 8.8242 126.5920 59.9722 30.0876 176.4505 133 A 4.1475 8.1760 118.2064 51.7100 18.3500 177.0024 134 G 3.7121 7.3527 103.3586 46.5235 0.0000 173.7980 135 I 4.5157 7.7495 119.3558 59.6318 38.7720 175.8505 136 K 4.6784 8.7170 125.3489 54.3886 35.4615 175.3073 137 Q 4.3925 8.4035 122.7816 55.9459 29.8901 174.6559 138 E 4.2960 8.5300 126.6175 55.4459 30.2884 176.0269 139 F 4.9463 8.9041 123.1921 57.4225 40.7649 176.0048 140 G 3.8887 8.4441 108.9790 45.3599 0.0000 173.7321 141 I 4.2980 7.2797 120.7673 58.5410 38.1894 173.7965 142 P 4.4273 0.0000 0.0000 62.3062 31.8722 175.9399 143 Y 4.4951 8.4862 122.0989 57.0328 38.5641 175.1564 144 N 4.5703 7.8949 125.9992 50.2667 38.6970 170.9880 145 P 3.8232 0.0000 0.0000 62.0933 31.0212 177.4753 *153 S 4.1607 8.2221 118.2719 58.0401 62.0072 172.9518 154 M 4.0121 8.3145 128.2524 58.2240 31.8631 177.5788 155 N 4.5356 8.2499 115.9566 56.6903 38.7349 177.3074 156 K 4.0200 7.6592 118.8642 59.0577 32.2593 179.0546 157 E 3.9160 8.0776 119.4572 59.1869 29.5021 178.6585 158 L 3.9515 9.2518 120.5831 58.1930 42.1389 179.0820 159 K 3.9678 8.2399 118.5020 59.0973 31.9148 179.1019 160 K 3.8795 8.4093 120.2911 59.6792 32.1758 178.7448 161 I 3.8814 7.8008 119.7857 64.6523 36.8562 178.3459 162 I 3.8321 7.9539 119.6756 64.4640 37.0765 178.3553 163 G 3.7669 8.3138 106.4653 47.9533 0.0000 175.7852 164 Q 4.0658 7.9229 119.5142 58.1498 29.0629 178.3419 165 V 4.2061 7.7117 110.9753 61.2353 31.6959 177.7550 166 R 3.9454 7.4949 120.8898 59.1793 30.3396 176.9110 167 D 4.5394 7.9572 116.3553 54.3855 40.1346 177.3150 168 Q 4.1874 7.8849 120.3035 57.5872 29.1909 175.1487 169 A 4.6814 7.2375 117.2496 51.3168 22.5292 176.1321 170 E 3.9666 8.8032 121.0526 59.3287 30.1432 177.4419 171 H 4.7736 7.7747 115.9298 54.3018 31.1989 175.8130 172 L 3.9862 8.6135 126.5210 58.3026 41.8542 179.4626 173 K 3.9573 8.0968 118.1542 60.3301 32.3519 179.1450 174 T 3.8407 7.9132 116.0738 66.4185 68.4653 176.3064 175 A 3.9938 7.8273 122.4088 55.0741 18.2353 179.8293 176 V 3.5559 8.0985 116.9944 66.3870 31.6148 178.3659 177 Q 4.0537 7.9845 117.3583 59.1694 28.4902 178.5063 178 M 4.0228 8.3152 119.6442 58.5231 31.9552 178.7448 179 A 4.0650 8.4333 121.2411 54.9477 18.4651 179.8539 180 V 3.5469 8.1869 117.2179 65.9972 31.7256 177.9136 181 F 4.0847 8.4698 120.3806 61.4596 39.2525 177.0128 182 I 3.8795 8.2262 119.3314 64.7563 36.7567 177.7492 183 H 4.0553 8.3677 117.7992 59.6518 29.9481 176.8628 184 N 4.4721 8.4936 117.8484 55.4316 38.1061 176.8717 185 K 4.2464 7.4966 117.7246 55.6398 33.2739 176.7153 186 K 3.9112 7.5552 121.7043 56.5232 32.3479 175.9381 187 R 4.4980 8.4135 125.7391 56.1956 31.3510 177.5872 188 K 4.4106 8.2435 119.3328 55.4562 34.4340 178.0554 *193 G 3.7975 7.6299 107.1194 46.0497 0.0000 171.4092 194 Y 4.5691 7.9399 123.0302 57.5148 39.7561 175.2470 195 S 5.0892 9.3107 118.2395 56.6458 65.8455 175.0747 196 A 4.0973 8.5271 124.1364 55.4482 18.0134 180.2526 197 G 3.7140 8.4948 104.3966 48.0347 0.0000 175.8603 198 E 4.0859 8.2352 120.4271 59.0779 29.4923 179.5082 199 R 3.9487 8.4100 118.4905 59.2644 30.0865 178.8692 200 I 3.4214 7.8196 118.3923 64.2254 37.8009 178.3974 201 V 3.7326 7.3929 112.6961 64.1854 31.3054 178.1056 202 D 4.3358 8.2478 117.8918 57.4093 41.1337 178.2159 203 I 3.6686 8.3063 120.5606 64.6067 37.2360 178.5483 204 I 3.7306 8.0516 120.4306 64.2842 36.9035 178.4423 205 A 4.0117 8.3408 121.9077 55.3763 18.0066 179.5819 206 T 3.8011 7.7927 113.1798 67.1041 68.7106 176.1260 207 D 4.4553 7.8847 117.7914 56.8192 41.1825 178.1938 208 I 3.9213 7.4194 119.7287 64.0074 37.4279 176.3803 209 Q 4.3750 8.0478 121.7899 55.9489 29.0072 175.4144 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 55 D 8.35 4.55 0.00 2.62 2.51 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 0.00 0.00 0.00 0.00 56 C 8.28 4.66 0.00 3.08 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 57 S 7.38 4.17 0.00 3.86 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 58 P 0.00 4.38 0.00 2.25 2.16 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 59 G 8.03 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 0.00 0.00 0.00 0.00 60 I 7.29 4.82 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.92 0.00 0.00 61 W 9.34 5.28 0.00 3.30 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 62 Q 9.41 5.28 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 63 L 9.15 5.27 0.00 1.83 1.76 0.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.94 4.39 0.00 2.55 2.29 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 *66 T 8.45 4.34 4.21 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 1.21 0.00 0.00 67 H 8.40 5.43 0.00 2.98 3.21 0.00 5.93 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 68 L 9.06 4.34 0.00 1.70 1.46 0.93 0.84 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 69 E 9.87 3.82 0.00 2.14 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 2.23 2.29 0.00 70 G 8.52 3.91 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 0.00 0.00 0.00 71 K 8.31 4.60 0.00 1.91 1.71 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.51 7.81 72 V 8.06 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 0.94 0.00 0.00 0.95 0.00 0.00 73 I 8.43 4.85 1.83 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 0.76 0.90 0.00 0.00 74 L 8.86 4.32 0.00 1.51 1.16 0.58 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.05 4.80 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 0.98 0.00 0.00 0.99 0.00 0.00 76 A 9.47 5.43 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 77 V 9.14 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 0.95 0.00 0.00 0.95 0.00 0.00 78 H 8.92 3.38 0.00 1.40 2.59 0.00 5.65 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.91 3.45 1.90 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 0.79 0.00 0.00 0.93 0.00 0.00 80 A 7.63 3.99 1.12 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 81 S 7.34 4.40 0.00 3.97 3.91 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 82 G 8.29 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 83 Y 7.79 4.48 0.00 3.18 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.09 5.15 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.71 0.85 0.00 0.00 85 E 9.29 4.93 0.00 2.22 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 2.45 2.70 0.00 86 A 8.67 5.37 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 87 E 9.12 4.79 0.00 2.11 2.30 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 2.54 2.49 0.00 88 V 8.56 4.29 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 0.82 0.00 0.00 0.97 0.00 0.00 89 I 8.85 4.81 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.97 0.00 0.00 90 P 0.00 4.25 0.00 2.19 2.22 0.00 4.04 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 91 A 7.03 4.57 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 92 E 8.51 4.30 0.00 1.96 1.91 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 2.27 2.27 0.00 93 T 7.42 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 1.22 0.00 0.00 94 G 8.56 3.72 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 0.00 0.00 0.00 95 Q 8.09 4.13 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 96 E 8.07 4.09 0.00 2.13 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 2.72 0.00 97 T 8.00 3.98 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 98 A 8.53 4.03 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 99 Y 8.21 3.96 0.00 3.18 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 0.00 100 F 8.57 3.96 0.00 3.32 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 0.00 101 L 8.35 4.04 0.00 1.93 1.69 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.84 3.91 0.00 1.80 1.44 0.97 0.59 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 0.00 103 K 7.50 3.64 0.00 1.48 1.46 0.00 1.48 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.01 0.73 7.81 104 L 7.70 3.58 0.00 1.27 1.54 0.40 0.58 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 0.00 105 A 7.98 4.12 1.27 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 0.00 0.00 0.00 106 G 7.60 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 0.00 107 R 6.99 4.09 0.00 1.52 1.43 0.00 3.08 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 108 W 7.69 5.14 0.00 3.20 3.29 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 0.00 109 P 0.00 4.49 0.00 2.33 2.31 0.00 4.14 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 110 V 8.08 4.14 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 0.62 0.00 0.00 111 K 9.35 4.56 0.00 1.94 1.92 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.39 7.81 112 T 7.78 5.79 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 1.24 0.00 0.00 113 V 8.35 5.09 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 1.29 0.00 0.00 0.98 0.00 0.00 114 H 9.57 5.52 0.00 3.22 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.57 4.85 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 0.59 0.00 0.00 116 D 9.45 4.59 0.00 2.82 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 0.00 117 N 7.68 4.60 0.00 2.60 2.47 0.00 0.00 7.03 7.28 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 0.00 118 G 8.23 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.88 4.23 0.00 3.99 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 0.00 120 N 7.85 4.26 0.00 2.13 2.69 0.00 0.00 6.84 8.16 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 0.00 121 F 7.97 5.28 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 0.00 122 T 7.67 4.39 4.28 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 1.25 0.00 0.00 123 S 7.91 4.34 0.00 4.11 4.08 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 0.00 124 T 8.57 3.92 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 1.20 0.00 0.00 125 T 7.86 3.94 4.28 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 1.23 0.00 0.00 126 V 7.61 3.59 2.30 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 0.86 0.00 0.00 1.13 0.00 0.00 127 K 7.97 4.07 0.00 1.97 1.92 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.64 7.81 128 A 8.23 4.38 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.91 4.38 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 *131 W 7.92 4.69 0.00 3.47 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 8.82 3.10 0.00 3.53 3.24 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 0.00 133 A 8.18 4.15 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 0.00 134 G 7.35 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 0.00 0.00 0.00 135 I 7.75 4.52 1.84 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 1.49 0.61 0.86 0.00 0.00 136 K 8.72 4.68 0.00 1.71 1.74 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.37 7.81 137 Q 8.40 4.39 0.00 1.99 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 1.90 2.48 0.00 138 E 8.53 4.30 0.00 1.98 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 2.28 2.27 0.00 139 F 8.90 4.95 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 0.00 140 G 8.44 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 0.00 141 I 7.28 4.30 1.55 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.90 0.00 0.00 142 P 0.00 4.43 0.00 2.06 2.02 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 143 Y 8.49 4.50 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 0.00 144 N 7.89 4.57 0.00 2.58 2.59 0.00 0.00 7.20 8.02 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 0.00 145 P 0.00 3.82 0.00 2.13 1.94 0.00 3.59 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 *153 S 8.22 4.16 0.00 3.93 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 0.00 154 M 8.31 4.01 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 155 N 8.25 4.54 0.00 2.72 2.89 0.00 0.00 7.16 7.76 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 0.00 156 K 7.66 4.02 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 157 E 8.08 3.92 0.00 2.12 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 2.35 2.40 0.00 158 L 9.25 3.95 0.00 1.83 1.82 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.24 3.97 0.00 2.05 1.85 0.00 1.82 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.55 7.81 160 K 8.41 3.88 0.00 1.88 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.50 7.81 161 I 7.80 3.88 2.01 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 1.56 0.88 0.96 0.00 0.00 162 I 7.95 3.83 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.92 0.00 0.00 163 G 8.31 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 0.00 164 Q 7.92 4.07 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 165 V 7.71 4.21 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 0.88 0.00 0.00 1.04 0.00 0.00 166 R 7.49 3.95 0.00 1.96 1.97 0.00 3.30 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 167 D 7.96 4.54 0.00 2.93 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 0.00 168 Q 7.88 4.19 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 169 A 7.24 4.68 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 0.00 170 E 8.80 3.97 0.00 1.85 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 1.82 2.18 0.00 171 H 7.77 4.77 0.00 3.22 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.61 3.99 0.00 1.94 1.70 0.93 0.79 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 0.00 173 K 8.10 3.96 0.00 2.05 2.08 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.56 7.81 174 T 7.91 3.84 4.39 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 1.22 0.00 0.00 175 A 7.83 3.99 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 0.00 176 V 8.10 3.56 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 1.14 0.00 0.00 1.02 0.00 0.00 177 Q 7.98 4.05 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 178 M 8.32 4.02 0.00 2.04 2.27 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 2.73 2.47 0.00 179 A 8.43 4.06 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 0.00 180 V 8.19 3.55 2.30 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 1.07 0.00 0.00 0.99 0.00 0.00 181 F 8.47 4.08 0.00 3.24 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 0.00 182 I 8.23 3.88 2.11 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 1.55 0.63 0.98 0.00 0.00 183 H 8.37 4.06 0.00 3.19 3.52 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.49 4.47 0.00 2.79 2.91 0.00 0.00 7.02 7.71 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 0.00 185 K 7.50 4.25 0.00 1.52 1.70 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.50 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.17 1.08 7.81 186 K 7.56 3.91 0.00 1.96 1.66 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 187 R 8.41 4.50 0.00 1.84 1.85 0.00 3.27 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 188 K 8.24 4.41 0.00 1.73 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.35 7.81 *193 G 7.63 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 0.00 0.00 0.00 194 Y 7.94 4.57 0.00 2.94 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 0.00 195 S 9.31 5.09 0.00 4.14 4.08 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 0.00 196 A 8.53 4.10 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 0.00 197 G 8.49 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 0.00 0.00 0.00 198 E 8.24 4.09 0.00 2.32 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 2.29 2.34 0.00 199 R 8.41 3.95 0.00 2.00 1.94 0.00 3.05 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 200 I 7.82 3.42 1.40 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 0.74 0.84 0.38 0.00 0.00 201 V 7.39 3.73 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 0.95 0.00 0.00 1.05 0.00 0.00 202 D 8.25 4.34 0.00 3.01 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 0.00 203 I 8.31 3.67 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.43 0.89 0.00 0.00 204 I 8.05 3.73 1.98 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 1.69 1.54 1.03 0.00 0.00 205 A 8.34 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 T 7.79 3.80 4.43 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 1.21 0.00 0.00 207 D 7.88 4.46 0.00 2.80 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 0.00 208 I 7.42 3.92 2.04 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 1.54 0.78 0.92 0.00 0.00 209 Q 8.05 4.38 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.