NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4966 8.1927 116.8058 58.2238 64.4696 174.4588 3 Q 3.8989 8.6672 125.4319 56.9883 28.8588 176.5173 4 S 4.4212 8.8060 115.6446 60.3374 64.2323 175.5166 5 N 4.5285 8.1948 120.0576 55.9812 38.3382 177.0455 6 R 3.9676 7.9611 119.9299 59.3299 30.1996 178.1571 7 E 3.8575 8.0971 119.0239 59.3989 29.5625 178.5988 8 L 3.9028 7.8870 118.9697 57.8895 41.6383 179.8456 9 V 3.9957 7.9217 117.6205 66.1858 31.5002 178.3660 10 V 3.6907 7.9076 118.0946 66.0082 31.3423 177.4857 11 D 4.3557 8.3051 117.8734 57.0505 40.9165 177.8858 12 F 4.2813 8.0709 121.1939 60.7464 39.5855 177.6317 13 L 4.1393 8.4273 119.0193 57.8864 41.4761 179.6406 14 S 4.5630 8.8827 114.7997 61.6511 62.9924 175.8336 15 Y 4.1146 8.1462 123.1922 60.4547 38.3010 178.3342 16 K 3.7173 8.1630 119.6820 58.9792 32.1487 179.0869 17 L 4.1102 8.3879 120.0036 58.0894 41.5655 179.8202 18 S 4.5656 8.2525 115.3360 61.0489 62.7060 175.9071 19 Q 3.5652 7.4866 122.2076 58.6844 28.6799 177.9152 20 K 4.2888 7.5010 116.5311 56.0085 32.2889 177.4296 21 G 3.6222 8.5933 108.3240 45.5635 0.0000 172.6488 22 Y 4.8678 7.7330 117.3909 55.7547 40.7850 174.2787 23 S 5.1709 8.1911 114.2547 56.0654 66.4039 174.1752 24 W 3.9815 9.1028 129.8777 60.0089 30.1723 175.4905 25 S 4.7716 9.0799 112.7055 55.7528 64.6413 174.5348 26 Q 3.9093 8.1114 120.5642 57.9549 28.8050 176.8538 27 F 5.0348 7.4200 116.2319 57.3180 39.8129 176.3679 28 S 4.4682 7.9036 113.1922 59.0481 62.4923 174.6321 29 D 4.4774 7.4979 121.5214 53.3719 39.2869 175.6550 *73 S 4.2816 7.9444 118.4251 57.4416 64.2785 173.7932 74 S 4.1009 8.5760 115.3386 58.9234 62.8666 174.5338 75 L 4.0943 8.4233 125.9790 55.2226 42.4129 176.5810 76 D 4.4037 8.7944 123.4814 57.4685 40.8609 177.3360 77 A 4.2361 7.5785 121.8544 51.5331 16.6159 175.3264 78 R 5.0327 7.1583 117.0865 54.4162 31.5521 174.0963 79 E 4.6745 8.1318 121.3892 54.6367 32.3446 175.1814 80 V 4.5102 8.1059 117.6693 59.4442 35.7860 174.4530 81 I 3.7660 8.4643 122.8139 61.4806 36.5991 174.2743 82 P 4.1158 0.0000 0.0000 65.6154 31.4765 176.3510 83 M 3.3543 8.3786 115.9512 55.3841 31.5337 177.7088 84 A 4.3551 7.8349 118.3381 53.4318 19.6886 178.7424 85 A 4.0052 7.8147 119.0534 54.7123 18.5458 179.8865 86 V 3.5718 7.7329 116.5932 66.2305 31.7259 178.0257 87 K 3.7020 7.9296 117.7275 59.5996 31.9679 178.8984 88 Q 3.8165 7.8658 119.4285 58.9786 29.0083 177.7542 89 A 4.0490 8.0188 121.8812 55.0944 18.3735 179.4326 90 L 4.0449 8.3892 119.0351 58.2634 42.1333 179.0537 91 R 3.9699 7.9179 118.1459 59.6566 29.9620 178.8831 92 E 4.0670 8.1807 117.2925 59.4173 29.4705 179.2877 93 A 4.4015 8.5518 121.1485 55.1953 18.4905 179.8459 94 G 4.0949 9.0689 104.6546 48.3365 0.0000 175.7049 95 D 4.5947 8.5855 121.4719 57.2957 40.7973 178.7793 96 E 4.0621 8.6975 119.2821 59.1885 29.5604 179.1518 97 F 4.0864 8.7629 120.9219 61.4445 39.3687 176.8849 98 E 4.1951 8.5406 117.5577 59.3401 29.5549 178.5022 99 L 4.1137 8.1446 118.2077 57.1118 41.6734 178.6907 100 R 4.0530 7.2956 117.6647 56.7858 31.7128 175.8004 101 Y 4.4828 6.7744 116.6578 55.2167 37.6419 176.1037 102 R 3.8876 7.9810 123.3079 59.2678 31.1226 177.3575 103 R 3.9807 8.2240 112.7357 59.0687 29.3953 176.9096 104 A 3.5952 6.9469 120.7325 53.1009 18.5823 177.9641 105 F 4.4483 8.6533 118.3082 58.2464 38.0194 177.4351 106 S 4.2646 7.9254 116.8269 61.9713 62.5966 176.4557 107 D 4.3559 8.1009 120.3798 57.4939 40.6467 178.6817 108 L 3.9204 7.8460 118.7153 58.1210 41.6298 179.7492 109 T 4.0916 10.3159 115.0152 67.0246 68.3058 176.9041 110 S 4.2741 8.1067 115.6417 61.8417 62.8816 176.6421 111 Q 4.1627 7.8847 119.7415 58.8240 28.5580 178.4679 112 L 4.0250 7.9954 119.9695 57.9272 43.6184 176.4621 113 H 4.0078 8.4904 115.5849 57.0059 28.3596 174.3488 114 I 3.8651 7.4279 119.4065 61.2558 39.1108 174.4561 115 T 4.7247 8.9261 116.6624 58.9812 71.8232 172.7696 116 P 4.3340 0.0000 0.0000 64.5374 31.2032 177.7473 117 G 3.8715 7.8796 106.4088 46.5161 0.0000 174.4225 118 T 4.0489 7.9666 117.7736 63.2799 69.3040 174.2483 119 A 4.6084 8.1884 128.4227 50.8475 20.9046 177.2401 120 Y 2.7936 8.3987 120.2659 60.6390 38.5722 178.5364 121 Q 3.7289 8.0831 118.2172 59.2595 28.7917 179.4027 122 S 3.9937 7.3476 114.8763 61.4884 62.8313 176.4772 123 F 4.0101 7.6121 122.6257 61.2911 39.0763 176.3155 124 E 3.8276 8.2773 119.4415 59.3108 29.0353 178.5854 125 Q 3.8436 7.9518 118.5134 59.1898 29.4655 177.9836 126 V 3.5964 7.4844 119.0983 66.1691 31.4172 178.2087 127 V 3.2386 7.5358 117.8050 65.7182 30.6635 177.4172 128 N 4.4268 8.2473 116.4695 56.6545 38.2935 177.0895 129 E 3.9672 7.9642 119.3710 59.2448 29.2981 179.1893 130 L 3.7459 7.2280 118.1283 56.8750 41.7227 178.4525 131 F 4.7102 7.3093 115.7962 57.0421 39.6814 178.1478 132 R 3.8821 7.8230 118.7021 59.2096 29.1847 177.0667 133 D 4.5436 7.8258 115.3161 53.7433 41.0878 175.1966 134 G 3.6843 7.8130 105.5791 44.3594 0.0000 172.8439 135 V 4.0872 7.6501 117.8179 60.9618 33.0808 175.1795 136 N 4.3437 7.5692 122.7966 50.5254 41.3792 175.3938 137 W 4.5970 8.9452 119.5943 59.7789 29.1577 178.7336 138 G 4.0849 8.7847 105.2560 48.2528 0.0000 175.3734 139 A 3.9554 8.0560 122.7083 54.6719 18.4540 179.6002 140 I 4.0003 7.9158 118.4951 64.7013 37.1781 178.8247 141 V 3.6685 8.3351 118.9992 65.8196 31.2900 177.7997 142 A 3.0923 7.9180 120.5647 54.8790 18.2512 179.0487 143 F 3.9151 8.3556 119.2926 61.6323 39.3499 177.0561 144 F 3.5539 8.2657 116.9754 60.8636 38.7095 178.1364 145 S 4.5142 8.1980 114.4504 61.4182 62.5854 176.5635 146 F 3.5244 8.2580 124.1300 60.7799 38.9061 177.4702 147 G 3.3831 7.6970 104.9743 47.5808 0.0000 175.4691 148 G 4.0521 8.3881 108.8413 47.9276 0.0000 175.5663 149 A 4.1047 8.1985 123.5769 54.4445 18.3861 179.7748 150 L 3.8098 7.7424 117.7729 57.8087 41.6318 179.0341 151 C 3.7335 8.0685 117.0685 62.9155 28.0607 176.3121 152 V 3.3894 7.7564 119.2264 66.1930 31.1823 177.6760 153 E 3.8538 8.0886 118.8042 59.2270 29.3534 179.0654 154 S 3.9343 7.9440 115.2407 61.3788 62.8553 176.5952 155 V 3.2082 7.3634 120.7295 65.9883 30.9687 177.1742 156 D 4.1827 7.1575 116.7083 57.3410 40.9764 177.4867 157 K 4.2847 7.7020 115.1656 55.8758 32.0412 176.2373 158 E 3.7115 8.5036 117.3096 58.1100 27.2809 174.3458 159 M 4.7727 8.0345 113.6689 53.4466 33.2205 177.4300 160 Q 3.6960 8.0013 120.8785 59.1194 28.7791 177.4658 161 V 3.5113 7.6332 119.5863 64.7397 31.2491 178.1494 162 L 3.4242 7.9083 119.8973 57.1606 41.3078 179.1743 163 V 3.0367 7.0465 118.2106 66.3040 31.2923 178.3527 164 S 4.1143 7.4285 113.8617 61.3315 62.6243 176.9355 165 R 3.2847 6.9972 120.4476 59.0437 29.6965 178.8812 166 I 2.8607 7.2522 119.4571 64.1210 36.8877 178.3582 167 A 3.9698 7.6452 121.2771 55.1785 18.2880 179.6871 168 S 4.0534 7.8793 111.6417 61.2668 62.4075 176.1665 169 W 4.6854 8.1252 122.1138 60.4464 28.7100 178.3605 170 M 4.6598 8.5800 118.6359 58.5822 31.3857 178.7126 171 A 4.2258 8.0108 120.8168 55.1557 18.6804 179.7528 172 T 3.8166 8.1981 114.3595 66.9933 68.4783 175.9924 173 Y 4.1044 8.8204 121.7197 60.6866 38.7600 177.9224 174 L 3.9342 8.5926 121.3972 58.4051 42.0584 178.7085 175 N 4.3189 8.0557 114.8392 56.4967 38.5786 176.7775 176 D 4.4332 8.4301 119.2738 56.4248 41.1524 177.5865 177 H 4.4782 8.0833 115.0822 56.0112 30.5574 175.7212 178 L 4.2716 7.3646 119.0169 56.0259 43.0692 178.1693 179 E 3.9778 8.7380 119.2035 59.3398 29.5034 177.8954 180 P 4.2271 0.0000 0.0000 65.2994 31.4118 178.3134 181 W 3.9521 8.0983 126.5969 60.4569 30.4734 177.9091 182 I 3.3549 7.9231 119.5721 64.3926 36.3348 178.2544 183 Q 3.9793 8.2513 118.0546 59.0276 28.6884 178.6711 184 E 4.1146 7.7819 116.3486 57.8673 29.9047 177.4805 185 N 4.5660 7.0223 116.6297 52.9981 39.4026 175.3567 186 G 4.2997 7.7988 106.6606 45.4700 0.0000 175.8862 187 G 4.0368 8.4817 110.8238 44.4957 0.0000 174.7180 188 W 4.3040 8.7060 117.0243 59.5685 28.6533 177.8606 189 D 4.4772 8.4800 117.1901 58.0131 40.6951 178.2116 190 T 4.1098 7.9977 115.3831 65.9272 68.5050 176.8092 191 F 3.1751 7.4866 122.5330 60.8212 39.3141 177.1398 192 V 3.4603 7.8492 117.8712 65.8803 31.0460 177.3425 193 D 3.8648 7.4165 116.5459 55.9162 40.9150 177.8329 194 L 4.2813 7.6053 118.0230 55.7946 42.3650 176.5278 195 Y 4.5418 7.5663 112.5891 56.9204 39.9305 175.6858 196 G 3.6932 8.7559 115.3409 45.6373 0.0000 173.5406 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 2 S 8.19 4.50 0.00 4.00 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 3 Q 8.67 3.90 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 S 8.81 4.42 0.00 4.08 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 5 N 8.19 4.53 0.00 3.05 3.11 0.00 0.00 6.80 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 6 R 7.96 3.97 0.00 1.95 2.10 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 7 E 8.10 3.86 0.00 2.28 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 2.26 2.31 0.00 8 L 7.89 3.90 0.00 1.94 1.52 0.10 0.28 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 9 V 7.92 4.00 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 1.21 0.00 0.00 1.12 0.00 0.00 10 V 7.91 3.69 1.95 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 0.38 0.00 0.00 0.85 0.00 0.00 11 D 8.31 4.36 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.07 4.28 0.00 3.06 3.26 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 13 L 8.43 4.14 0.00 2.29 1.95 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.88 4.56 0.00 4.18 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 15 Y 8.15 4.11 0.00 2.98 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 16 K 8.16 3.72 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.90 1.16 7.81 17 L 8.39 4.11 0.00 1.96 1.81 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.25 4.57 0.00 4.04 4.15 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 19 Q 7.49 3.57 0.00 1.52 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 20 K 7.50 4.29 0.00 1.79 1.79 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.65 7.81 21 G 8.59 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 22 Y 7.73 4.87 0.00 3.10 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 23 S 8.19 5.17 0.00 4.01 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 24 W 9.10 3.98 0.00 3.49 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 25 S 9.08 4.77 0.00 3.94 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 26 Q 8.11 3.91 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 27 F 7.42 5.03 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.47 0.00 4.11 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 29 D 7.50 4.48 0.00 2.79 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 *73 S 7.94 4.28 0.00 4.00 3.96 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 74 S 8.58 4.10 0.00 3.89 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 75 L 8.42 4.09 0.00 1.60 1.59 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.79 4.40 0.00 2.71 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 77 A 7.58 4.24 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 78 R 7.16 5.03 0.00 1.92 2.05 0.00 3.16 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.36 0.00 79 E 8.13 4.67 0.00 1.86 1.79 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 2.20 2.39 0.00 80 V 8.11 4.51 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 0.78 0.00 0.00 0.95 0.00 0.00 81 I 8.46 3.77 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.53 0.98 0.00 0.00 82 P 0.00 4.12 0.00 2.06 2.14 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 83 M 8.38 3.35 0.00 2.00 2.64 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 84 A 7.83 4.36 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 85 A 7.81 4.01 1.32 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 86 V 7.73 3.57 1.88 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 0.48 0.00 0.00 1.02 0.00 0.00 87 K 7.93 3.70 0.00 1.90 1.89 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.45 7.81 88 Q 7.87 3.82 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 89 A 8.02 4.05 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 90 L 8.39 4.04 0.00 1.81 1.72 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.92 3.97 0.00 1.91 1.38 0.00 2.77 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.71 0.00 92 E 8.18 4.07 0.00 2.27 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 2.38 2.35 0.00 93 A 8.55 4.40 1.57 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 0.00 0.00 94 G 9.07 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 0.00 0.00 0.00 95 D 8.59 4.59 0.00 3.04 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 96 E 8.70 4.06 0.00 2.32 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 2.60 2.58 0.00 97 F 8.76 4.09 0.00 3.51 3.57 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 98 E 8.54 4.20 0.00 2.37 2.34 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 2.44 2.52 0.00 99 L 8.14 4.11 0.00 1.80 1.71 0.97 0.81 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 0.00 100 R 7.30 4.05 0.00 1.43 1.63 0.00 2.93 0.00 0.00 2.88 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 101 Y 6.77 4.48 0.00 2.51 2.49 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 0.00 102 R 7.98 3.89 0.00 1.75 1.95 0.00 3.25 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 103 R 8.22 3.98 0.00 1.90 2.05 0.00 3.08 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 104 A 6.95 3.60 0.26 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 0.00 105 F 8.65 4.45 0.00 3.46 3.57 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 0.00 106 S 7.93 4.26 0.00 3.84 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 0.00 107 D 8.10 4.36 0.00 2.75 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 0.00 108 L 7.85 3.92 0.00 1.82 1.40 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 T 10.32 4.09 4.44 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 1.31 0.00 0.00 110 S 8.11 4.27 0.00 3.94 3.98 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 0.00 0.00 0.00 111 Q 7.88 4.16 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 112 L 8.00 4.03 0.00 1.82 1.80 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.49 4.01 0.00 3.40 3.31 0.00 5.81 0.00 0.00 0.00 0.00 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.43 3.87 1.94 0.00 0.00 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 1.57 1.16 0.88 0.00 0.00 115 T 8.93 4.72 4.22 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 1.11 0.00 0.00 116 P 0.00 4.33 0.00 2.05 2.13 0.00 3.65 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 1.99 2.04 0.00 117 G 7.88 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 0.00 0.00 0.00 118 T 7.97 4.05 4.54 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 1.18 0.00 0.00 119 A 8.19 4.61 1.23 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 0.00 0.00 0.00 120 Y 8.40 2.79 0.00 2.67 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 0.00 121 Q 8.08 3.73 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 122 S 7.35 3.99 0.00 3.99 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 0.00 123 F 7.61 4.01 0.00 2.67 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 0.00 124 E 8.28 3.83 0.00 1.16 1.79 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 2.32 2.41 0.00 125 Q 7.95 3.84 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 126 V 7.48 3.60 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 0.88 0.00 0.00 0.94 0.00 0.00 127 V 7.54 3.24 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 0.07 0.00 0.00 0.01 0.00 0.00 128 N 8.25 4.43 0.00 3.03 2.88 0.00 0.00 6.95 7.25 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 0.00 129 E 7.96 3.97 0.00 1.99 1.89 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 2.43 2.41 0.00 130 L 7.23 3.75 0.00 0.92 0.93 0.51 0.69 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 0.00 131 F 7.31 4.71 0.00 3.01 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 0.00 132 R 7.82 3.88 0.00 1.88 2.07 0.00 3.01 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 133 D 7.83 4.54 0.00 2.65 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 0.00 134 G 7.81 3.68 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 0.00 0.00 0.00 135 V 7.65 4.09 0.67 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 -0.77 0.00 0.00 0.38 0.00 0.00 136 N 7.57 4.34 0.00 3.02 2.89 0.00 0.00 6.28 8.88 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 0.00 137 W 8.95 4.60 0.00 3.89 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 0.00 138 G 8.78 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 0.00 0.00 0.00 139 A 8.06 3.96 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 0.00 140 I 7.92 4.00 2.24 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 1.34 0.00 0.00 141 V 8.34 3.67 2.39 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 1.18 0.00 0.00 0.99 0.00 0.00 142 A 7.92 3.09 1.32 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 0.00 143 F 8.36 3.92 0.00 3.01 3.40 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 0.00 144 F 8.27 3.55 0.00 2.56 1.70 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 0.00 145 S 8.20 4.51 0.00 3.91 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 0.00 146 F 8.26 3.52 0.00 1.76 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 0.00 147 G 7.70 3.38 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 0.00 148 G 8.39 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 0.00 149 A 8.20 4.10 1.54 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 0.00 0.00 150 L 7.74 3.81 0.00 1.69 1.47 0.56 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.07 3.73 0.00 3.02 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 0.00 152 V 7.76 3.39 2.22 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 1.19 0.00 0.00 1.03 0.00 0.00 153 E 8.09 3.85 0.00 2.08 1.94 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 2.27 2.34 0.00 154 S 7.94 3.93 0.00 3.89 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 0.00 155 V 7.36 3.21 1.34 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 0.37 0.00 0.00 0.59 0.00 0.00 156 D 7.16 4.18 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 4.28 0.00 1.96 1.75 0.00 1.86 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.39 7.81 158 E 8.50 3.71 0.00 2.03 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 2.19 2.38 0.00 159 M 8.03 4.77 0.00 1.86 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 2.43 2.37 0.00 160 Q 8.00 3.70 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 161 V 7.63 3.51 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 0.74 0.00 0.00 0.84 0.00 0.00 162 L 7.91 3.42 0.00 1.56 1.50 0.84 0.87 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 0.00 163 V 7.05 3.04 1.49 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 -0.51 0.00 0.00 0.48 0.00 0.00 164 S 7.43 4.11 0.00 3.77 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 0.00 165 R 7.00 3.28 0.00 0.99 0.66 0.00 2.96 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 166 I 7.25 2.86 1.47 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.07 0.66 0.00 0.00 167 A 7.65 3.97 1.57 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 0.00 0.00 168 S 7.88 4.05 0.00 3.92 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 0.00 169 W 8.13 4.69 0.00 2.87 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 0.00 170 M 8.58 4.66 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.43 0.00 171 A 8.01 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.20 3.82 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 0.82 0.00 0.00 173 Y 8.82 4.10 0.00 3.71 3.42 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 0.00 174 L 8.59 3.93 0.00 2.29 1.99 1.22 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.06 4.32 0.00 2.88 2.89 0.00 0.00 7.16 7.81 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 0.00 176 D 8.43 4.43 0.00 2.49 2.48 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 0.00 177 H 8.08 4.48 0.00 2.34 2.80 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.36 4.27 0.00 1.69 1.47 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.74 3.98 0.00 2.21 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 2.47 2.62 0.00 180 P 0.00 4.23 0.00 2.13 2.07 0.00 3.49 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 181 W 8.10 3.95 0.00 3.20 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 0.00 182 I 7.92 3.35 1.93 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 1.14 0.51 0.66 0.00 0.00 183 Q 8.25 3.98 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 184 E 7.78 4.11 0.00 2.01 1.95 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 2.24 2.02 0.00 185 N 7.02 4.57 0.00 1.44 1.86 0.00 0.00 7.23 7.72 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 0.00 186 G 7.80 4.30 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 0.00 187 G 8.48 4.04 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 0.00 0.00 0.00 188 W 8.71 4.30 0.00 3.49 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 0.00 189 D 8.48 4.48 0.00 2.73 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 0.00 190 T 8.00 4.11 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 191 F 7.49 3.18 0.00 1.51 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 0.00 192 V 7.85 3.46 2.26 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 0.96 0.00 0.00 1.11 0.00 0.00 193 D 7.42 3.86 0.00 2.79 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 0.00 194 L 7.61 4.28 0.00 1.67 1.56 1.19 0.76 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 0.00 195 Y 7.57 4.54 0.00 2.03 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 3.69 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.