NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 A 4.2140 8.1185 123.5751 51.5212 20.4900 178.3720 39 A 3.9422 7.9835 119.8691 54.3288 18.5227 176.9400 40 D 4.6907 7.8008 113.7191 54.8690 42.6543 175.9552 41 S 4.2907 7.5191 114.4727 58.1191 64.8706 174.9945 42 A 3.8312 8.5236 124.7246 55.2909 18.1206 179.9076 43 D 4.3066 7.8825 116.6654 57.5133 40.9458 178.7115 44 A 4.1945 8.1403 121.3696 55.0532 18.3223 179.8473 45 G 3.1863 7.9224 104.2947 47.7310 0.0000 175.4634 46 F 3.8250 6.9740 122.2749 60.7342 39.3812 176.6371 47 A 3.9820 7.6754 118.7666 55.1379 18.4489 179.6017 48 R 4.0394 8.0671 116.4711 59.4722 30.1653 179.6117 49 D 4.7830 8.1285 116.8208 54.9910 40.8039 178.5947 *51 S 4.2107 7.9959 117.3339 58.6837 64.9406 176.4757 52 V 3.5635 7.5677 118.8611 66.1508 31.0544 177.3785 53 H 4.0697 8.3490 117.9411 59.7422 29.7148 176.7242 54 H 4.1688 8.3382 117.3769 59.0944 28.5872 177.1407 55 Q 3.9726 8.2624 121.2085 59.4615 28.5615 178.4765 56 Q 3.9708 7.7890 119.1812 59.0034 29.1628 177.6051 57 A 3.9857 7.6195 120.9044 54.9799 18.7173 179.4170 58 V 3.7888 7.9619 116.7668 66.0388 31.5757 179.1891 59 E 4.0988 8.1444 117.0774 56.8594 29.5838 178.5295 *61 S 4.3200 8.0716 115.1419 58.3333 65.0134 175.8153 62 Y 3.8760 8.1529 116.8134 61.0190 37.8293 178.5725 63 I 3.9189 8.0930 120.9115 64.5032 37.3219 178.9117 64 V 3.5666 7.6387 119.3723 64.9164 30.8587 178.3591 65 R 3.8570 7.5601 117.4747 58.7395 29.9069 178.1582 66 D 4.5439 7.8608 117.3701 55.8825 41.2780 177.6984 67 R 4.5068 7.9656 117.4007 55.5518 31.1935 175.4786 68 T 4.8935 6.9917 111.2069 60.5647 70.5660 172.8042 69 D 4.6403 8.4405 123.7897 54.0519 41.8070 176.7095 70 D 4.3255 8.0974 120.5054 54.4160 41.8548 176.2292 71 E 3.9345 8.8445 127.4916 59.5608 29.5839 179.0205 72 E 3.8885 8.1087 118.6818 59.3400 29.7976 178.8947 73 V 3.6521 8.3802 118.5949 66.0049 31.5223 178.1528 74 R 3.7953 8.0590 117.9200 59.0227 29.7732 179.0260 75 R 3.8316 8.1798 118.6511 59.2646 30.0680 178.1466 76 L 3.9648 7.9928 119.8719 58.3279 41.9988 178.7973 77 A 4.2661 8.1965 122.1067 54.6565 18.1690 178.8214 78 Y 3.8822 8.1737 118.0747 60.9744 38.7911 178.1039 79 D 4.3177 8.4039 119.6725 57.5387 40.9291 179.0082 80 I 3.6655 8.0102 120.0058 64.2752 37.0436 178.2899 81 A 3.9428 8.1331 121.8351 55.2606 18.1691 179.7333 82 Q 3.7107 7.9979 116.7161 59.2788 28.6660 179.1650 83 T 3.7809 7.9369 116.7791 66.9316 68.4805 176.9384 84 Q 3.8609 8.4057 120.0639 58.6316 28.6723 178.5588 85 A 3.9559 8.2619 122.3133 55.1095 18.1889 179.2198 86 N 4.1769 7.8552 114.3886 56.9716 39.1395 176.8846 87 Q 3.9927 8.0652 118.4869 58.7353 28.8595 178.1754 88 R 4.0377 8.1393 119.3320 58.7294 31.6938 178.2801 89 G 3.7349 7.7044 106.7736 45.1212 0.0000 173.3400 *92 I 4.0009 7.6167 124.9040 61.5758 39.8745 178.5813 93 G 3.4742 8.1406 107.2229 47.5076 0.0000 175.6727 94 W 3.6148 7.3608 120.6382 59.2460 28.9148 178.2379 95 L 4.1428 7.7298 118.2615 58.0593 41.0844 179.2717 96 D 4.3195 8.2495 118.8527 57.3593 40.5718 178.6287 97 L 3.9871 7.8180 119.7894 57.8353 42.1956 178.3493 98 W 4.6373 8.2956 116.1361 56.3363 29.3873 175.7773 99 A 3.8217 7.8677 120.9998 53.2577 16.1828 177.0943 100 L 4.8320 8.0008 118.9237 53.3856 44.0031 175.6232 101 P 4.4475 0.0000 0.0000 62.7336 31.7970 177.0081 102 K 4.1954 8.5384 119.8980 57.6273 32.5683 177.2935 103 V 4.4991 7.5441 117.9747 60.9205 34.6675 175.3110 104 S 4.7046 8.2779 121.4125 57.8002 62.4322 172.8068 *106 D 4.4451 8.4344 117.8120 53.1514 41.8168 173.5755 107 P 4.4251 0.0000 0.0000 62.2129 31.9478 175.4415 108 P 4.6010 0.0000 0.0000 63.4797 28.7846 175.9278 *110 T 4.3729 7.9383 117.7550 63.0739 70.5548 176.9048 111 W 4.3620 8.1646 116.3438 56.6439 27.1639 176.4614 *113 G 3.6081 8.0519 105.2572 45.6927 0.0000 171.4352 *127 P 4.0075 0.0000 0.0000 63.0603 32.7135 173.6559 128 G 3.6319 8.4315 113.1125 45.4266 0.0000 171.6684 *130 A 4.4081 7.7703 126.0316 52.1719 19.9219 177.0145 131 T 4.3674 8.5915 111.2330 60.5931 70.2011 174.9066 132 D 4.4756 8.7826 121.5178 57.5784 41.1866 178.2328 133 A 4.1764 8.1820 121.3918 55.4511 18.6044 179.8061 134 E 4.4415 8.1948 113.4593 57.0116 28.9419 179.2601 *136 K 4.2235 8.2200 120.1831 56.5180 34.3194 177.9521 137 K 3.8560 8.5423 119.7651 59.6802 32.0158 178.1259 138 L 4.3235 8.4631 120.6008 58.4843 41.8057 178.9892 139 G 3.8402 7.8392 103.3090 46.6668 0.0000 174.6081 140 T 4.3364 7.8060 110.6600 61.6384 69.7316 174.9843 141 L 4.4799 7.1083 121.4110 53.9982 43.2335 175.5469 142 D 5.2076 8.1463 119.2283 53.2891 45.5560 178.4672 143 G 3.9003 8.3613 111.1566 46.2090 0.0000 176.5200 144 K 4.0724 8.7662 122.6068 59.2837 31.6243 178.4106 145 Q 3.9962 8.0834 117.6964 58.8108 28.6571 178.3135 146 A 4.1113 7.9654 121.5483 55.1805 18.3536 179.3499 147 E 3.9613 8.5248 117.4157 59.7109 29.5430 179.7878 148 V 3.6264 8.0465 118.1431 66.3314 31.5904 177.4633 149 Y 4.4176 8.3257 119.2862 60.7327 38.4998 176.9861 150 Y 3.9519 8.4177 120.8383 60.8723 38.6881 178.2958 151 L 3.8272 8.0176 118.4842 57.7465 42.0862 179.3808 152 Q 4.1264 8.2587 118.1741 58.7645 28.5769 179.3979 153 L 3.8244 7.5696 116.9573 55.6283 41.2371 179.1926 *155 T 4.1797 7.8226 117.2302 63.7983 70.6058 176.1871 156 E 3.9472 7.9619 120.3601 59.5954 29.3145 178.8915 157 H 4.5492 8.3501 119.7335 59.2294 29.9713 176.9954 158 H 4.2151 8.2704 117.4065 58.9389 28.6270 177.7191 159 R 4.0772 8.3663 120.1376 59.3075 29.6972 179.3761 160 G 3.9374 7.4952 105.6678 47.2899 0.0000 175.6628 161 G 3.7150 8.1285 107.4560 47.3135 0.0000 175.5999 162 V 3.8486 8.3186 121.0193 66.0334 31.6234 177.8182 163 H 4.0194 7.9653 114.3368 57.5545 29.7543 176.0842 *165 A 4.2663 7.9106 123.7746 51.8849 20.6007 179.7922 166 K 4.0449 8.5769 115.8463 59.4812 32.0979 179.6198 167 G 3.7311 8.0397 105.8514 48.1455 0.0000 174.9316 168 C 4.1769 8.1234 120.5855 59.0723 43.3346 175.3788 169 V 3.4659 7.7492 119.4871 65.9919 31.1775 177.2625 170 E 4.3326 8.0736 115.3904 57.3412 29.7297 177.2880 171 R 4.5856 7.6134 114.7283 56.2368 32.8303 175.5234 172 C 4.5161 8.4060 115.8732 57.1981 40.5165 173.6030 173 T 3.9876 9.0338 113.1580 61.7633 69.7949 175.2789 174 V 3.9506 8.1866 123.9465 61.4792 32.4774 175.8841 175 G 3.7560 8.6637 113.5249 48.4830 0.0000 175.6746 176 V 3.6181 7.5392 114.6717 63.4673 31.4346 178.3190 177 E 4.0811 7.6849 118.9228 58.9832 29.5739 178.3037 178 K 3.7597 8.2084 120.0714 59.5229 32.2152 178.4807 179 R 3.8655 8.2195 119.1043 59.3812 29.7620 178.1116 180 L 4.0327 7.9129 118.3419 58.1893 42.2459 178.3349 181 A 4.1971 8.0492 119.4602 55.2504 18.4827 179.0467 182 R 4.1453 8.2633 117.4438 59.5032 30.0050 180.1523 183 G 3.9625 8.0987 103.8760 44.8859 0.0000 175.5795 *185 V 4.0414 7.7574 121.2732 62.6993 33.5279 177.3692 186 E 3.9991 8.0649 119.0504 59.4347 29.1990 179.5751 187 S 4.1454 8.3359 114.5688 61.6949 63.0896 176.5546 188 Q 3.9756 8.0199 121.3847 58.4189 28.5695 178.2444 189 E 3.9910 8.2944 119.7293 59.5828 29.4640 179.5992 190 S 4.1546 8.2654 115.1172 61.7412 62.6871 176.6674 191 E 4.0051 8.3943 120.4973 59.2846 29.2233 179.0681 192 I 3.8465 7.8107 119.2770 64.4967 37.3698 178.2817 193 R 4.1501 7.9137 118.5206 59.1296 30.0176 180.2121 194 L 4.2117 7.9746 116.3273 55.1008 41.5092 179.0602 *196 A 4.2778 7.9656 123.4953 52.4537 20.5967 179.6093 197 D 4.3772 7.8938 115.4990 57.6519 40.6806 179.1853 198 L 4.0047 7.8736 118.9699 57.5699 41.5440 179.4710 199 L 3.9895 7.9446 118.2743 57.7752 41.6317 179.1422 200 A 3.9909 8.1381 120.5996 55.4504 18.1274 179.3888 201 E 3.9558 8.2069 115.7826 59.3152 29.5467 178.9189 202 R 4.5008 7.4767 115.5342 55.1679 30.3314 176.5504 203 G 3.8383 8.1419 106.1850 46.5209 0.0000 173.3405 204 A 4.8038 8.3101 121.5160 49.8006 22.1491 175.3925 205 K 4.7307 8.0670 117.4393 54.1738 36.1548 176.1731 206 E 3.9676 8.7975 118.7728 56.7675 29.6880 177.9770 207 G 3.8148 8.4171 111.0396 45.4331 0.0000 172.7498 208 H 3.9514 8.6113 120.0161 56.4608 30.2175 174.8923 209 H 4.3307 8.2551 123.0190 55.9496 28.0841 174.9623 210 H 4.7425 8.5589 121.3218 56.1917 29.4700 175.3776 211 H 4.5458 7.7938 121.6476 55.9759 29.6162 173.0186 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 38 A 8.12 4.21 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.98 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.80 4.69 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.52 4.29 0.00 3.98 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 42 A 8.52 3.83 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 43 D 7.88 4.31 0.00 2.51 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 44 A 8.14 4.19 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 45 G 7.92 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 6.97 3.82 0.00 2.01 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 47 A 7.68 3.98 1.51 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 0.00 0.00 48 R 8.07 4.04 0.00 2.02 2.00 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 49 D 8.13 4.78 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 S 8.00 4.21 0.00 4.07 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 52 V 7.57 3.56 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 1.01 0.00 0.00 0.96 0.00 0.00 53 H 8.35 4.07 0.00 3.40 3.29 0.00 5.65 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 54 H 8.34 4.17 0.00 3.36 3.34 0.00 5.88 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 55 Q 8.26 3.97 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 56 Q 7.79 3.97 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 57 A 7.62 3.99 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 58 V 7.96 3.79 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 1.18 0.00 0.00 1.01 0.00 0.00 59 E 8.14 4.10 0.00 2.16 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 2.32 2.44 0.00 *61 S 8.07 4.32 0.00 4.11 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 62 Y 8.15 3.88 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.09 3.92 1.94 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 1.63 1.00 0.97 0.00 0.00 64 V 7.64 3.57 1.59 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 -0.10 0.00 0.00 0.72 0.00 0.00 65 R 7.56 3.86 0.00 1.92 1.96 0.00 3.28 0.00 0.00 2.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 66 D 7.86 4.54 0.00 2.90 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 67 R 7.97 4.51 0.00 1.81 2.13 0.00 3.24 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 68 T 6.99 4.89 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 1.21 0.00 0.00 69 D 8.44 4.64 0.00 2.68 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 70 D 8.10 4.33 0.00 2.94 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 71 E 8.84 3.93 0.00 2.03 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 2.37 2.35 0.00 72 E 8.11 3.89 0.00 2.07 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 2.39 2.43 0.00 73 V 8.38 3.65 2.14 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 1.00 0.00 0.00 0.97 0.00 0.00 74 R 8.06 3.80 0.00 1.85 1.90 0.00 3.28 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 75 R 8.18 3.83 0.00 1.89 2.12 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 76 L 7.99 3.96 0.00 1.87 1.91 0.98 0.94 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 77 A 8.20 4.27 1.14 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 0.00 0.00 78 Y 8.17 3.88 0.00 3.06 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 79 D 8.40 4.32 0.00 2.97 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 80 I 8.01 3.67 1.94 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 1.65 0.85 0.95 0.00 0.00 81 A 8.13 3.94 1.16 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 0.00 0.00 82 Q 8.00 3.71 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 83 T 7.94 3.78 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 1.20 0.00 0.00 84 Q 8.41 3.86 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 85 A 8.26 3.96 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 86 N 7.86 4.18 0.00 2.75 2.96 0.00 0.00 7.31 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 87 Q 8.07 3.99 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 88 R 8.14 4.04 0.00 1.83 2.12 0.00 3.41 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 89 G 7.70 3.73 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 0.00 0.00 0.00 *92 I 7.62 4.00 1.78 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 1.26 0.71 0.83 0.00 0.00 93 G 8.14 3.47 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 94 W 7.36 3.61 0.00 2.83 1.74 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 95 L 7.73 4.14 0.00 1.84 1.93 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.25 4.32 0.00 2.74 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 97 L 7.82 3.99 0.00 1.52 1.64 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 98 W 8.30 4.64 0.00 3.49 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 99 A 7.87 3.82 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.00 4.83 0.00 1.77 1.67 1.10 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.45 0.00 2.24 2.00 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 102 K 8.54 4.20 0.00 1.74 1.85 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 103 V 7.54 4.50 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 0.82 0.00 0.00 0.94 0.00 0.00 104 S 8.28 4.70 0.00 3.91 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 *106 D 8.43 4.45 0.00 2.80 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 0.00 107 P 0.00 4.43 0.00 2.05 2.02 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 108 P 0.00 4.60 0.00 2.09 2.24 0.00 3.74 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 2.06 2.16 0.00 *110 T 7.94 4.37 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 1.24 0.00 0.00 111 W 8.16 4.36 0.00 3.58 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 *113 G 8.05 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 P 0.00 4.01 0.00 2.40 2.04 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 128 G 8.43 3.63 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 0.00 0.00 0.00 *130 A 7.77 4.41 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 0.00 131 T 8.59 4.37 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 0.00 132 D 8.78 4.48 0.00 2.70 2.80 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 0.00 133 A 8.18 4.18 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 0.00 134 E 8.19 4.44 0.00 2.31 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 0.00 2.54 2.40 0.00 *136 K 8.22 4.22 0.00 2.02 1.92 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.60 7.81 137 K 8.54 3.86 0.00 1.81 2.09 0.00 1.36 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.13 1.27 7.81 138 L 8.46 4.32 0.00 2.06 1.82 1.16 1.23 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 0.00 139 G 7.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.81 4.34 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 1.30 0.00 0.00 141 L 7.11 4.48 0.00 1.85 1.73 0.96 0.91 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 0.00 142 D 8.15 5.21 0.00 2.65 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 0.00 143 G 8.36 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 0.00 144 K 8.77 4.07 0.00 1.79 1.90 0.00 1.70 0.00 0.00 2.00 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 145 Q 8.08 4.00 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 146 A 7.97 4.11 1.44 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 0.00 147 E 8.52 3.96 0.00 2.23 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 2.34 2.48 0.00 148 V 8.05 3.63 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.04 0.00 0.00 149 Y 8.33 4.42 0.00 3.17 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 0.00 150 Y 8.42 3.95 0.00 3.13 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 0.00 151 L 8.02 3.83 0.00 1.81 1.70 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.26 4.13 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 153 L 7.57 3.82 0.00 1.44 1.39 0.62 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 *155 T 7.82 4.18 4.34 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 0.00 0.00 1.19 0.00 0.00 156 E 7.96 3.95 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 2.29 2.46 0.00 157 H 8.35 4.55 0.00 3.32 3.27 0.00 5.64 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 0.00 158 H 8.27 4.22 0.00 3.38 3.36 0.00 5.88 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 0.00 159 R 8.37 4.08 0.00 2.04 2.01 0.00 3.31 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 160 G 7.50 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 0.00 0.00 0.00 161 G 8.13 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 0.00 162 V 8.32 3.85 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 1.08 0.00 0.00 1.03 0.00 0.00 163 H 7.97 4.02 0.00 3.31 3.49 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *165 A 7.91 4.27 1.56 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 0.00 0.00 166 K 8.58 4.04 0.00 1.95 1.86 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 167 G 8.04 3.73 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 0.00 0.00 0.00 168 C 8.12 4.18 0.00 1.75 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 0.00 0.00 0.00 0.00 169 V 7.75 3.47 2.20 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 0.87 0.00 0.00 0.92 0.00 0.00 170 E 8.07 4.33 0.00 2.00 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 0.00 2.51 2.47 0.00 171 R 7.61 4.59 0.00 2.03 2.03 0.00 3.55 0.00 0.00 3.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 172 C 8.41 4.52 0.00 2.93 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 0.00 173 T 9.03 3.99 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 1.14 0.00 0.00 174 V 8.19 3.95 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 0.97 0.00 0.00 0.55 0.00 0.00 175 G 8.66 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.54 3.62 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 0.86 0.00 0.00 0.31 0.00 0.00 177 E 7.68 4.08 0.00 1.80 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 2.51 2.84 0.00 178 K 8.21 3.76 0.00 1.77 1.89 0.00 1.65 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 179 R 8.22 3.87 0.00 2.05 2.14 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 180 L 7.91 4.03 0.00 2.12 2.17 1.02 1.02 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 0.00 181 A 8.05 4.20 1.05 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 0.00 182 R 8.26 4.15 0.00 2.00 2.10 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 183 G 8.10 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 0.00 0.00 0.00 *185 V 7.76 4.04 2.27 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 1.01 0.00 0.00 0.97 0.00 0.00 186 E 8.06 4.00 0.00 2.18 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 2.33 0.00 187 S 8.34 4.15 0.00 4.05 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 0.00 188 Q 8.02 3.98 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 189 E 8.29 3.99 0.00 2.26 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 2.36 2.56 0.00 190 S 8.27 4.15 0.00 4.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.39 4.01 0.00 2.16 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 0.00 2.39 2.48 0.00 192 I 7.81 3.85 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 0.92 0.00 0.00 193 R 7.91 4.15 0.00 2.08 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 194 L 7.97 4.21 0.00 1.86 1.70 0.94 0.98 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 *196 A 7.97 4.28 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 D 7.89 4.38 0.00 2.86 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 0.00 198 L 7.87 4.00 0.00 1.75 1.74 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 199 L 7.94 3.99 0.00 1.88 1.90 0.91 1.02 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 0.00 200 A 8.14 3.99 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 0.00 201 E 8.21 3.96 0.00 2.14 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 2.36 2.57 0.00 202 R 7.48 4.50 0.00 1.94 1.97 0.00 3.47 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 203 G 8.14 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 A 8.31 4.80 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 0.00 205 K 8.07 4.73 0.00 1.71 1.71 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.44 7.81 206 E 8.80 3.97 0.00 1.91 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 0.00 2.32 2.38 0.00 207 G 8.42 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 H 8.61 3.95 0.00 3.05 3.11 0.00 5.92 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 H 8.26 4.33 0.00 3.06 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 H 8.56 4.74 0.00 2.94 3.19 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 H 7.79 4.55 0.00 3.12 3.14 0.00 5.73 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 * Residues marked with a * may have inaccurate shift predictions.