NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.5286 8.1933 115.5566 58.2874 64.2246 172.3801 5 N 5.5195 8.7302 123.2906 51.1736 43.0954 168.1875 6 V 4.9879 8.5230 113.1262 59.8204 36.5911 174.4025 7 V 4.8777 9.8027 122.0292 61.2014 34.5094 174.1619 8 L 4.8262 9.6099 128.4374 53.0128 44.2427 175.4142 9 V 4.8377 8.3339 124.5240 61.6765 33.1835 175.6151 10 S 4.7501 9.3945 123.5597 57.4681 64.3022 175.6325 11 G 3.7407 9.1617 110.1488 48.3571 0.0000 174.3221 12 E 4.3216 8.2468 117.8990 56.0928 29.3921 177.3727 13 G 3.9796 8.4553 107.5150 45.4569 0.0000 174.0492 14 E 4.2024 7.8636 120.9955 56.2166 30.6380 176.1032 15 R 4.8825 8.5177 123.6634 55.3978 31.5569 175.6950 16 F 4.8227 9.5048 123.0501 56.0333 41.7724 174.3984 17 T 5.1093 8.6293 120.5112 62.4626 69.9694 174.6004 18 V 4.5876 8.4486 117.2108 59.4542 37.1009 173.4330 19 D 4.9432 8.8776 122.3865 54.4087 41.6132 176.7289 20 K 3.8126 9.2282 128.0047 59.8158 31.9023 178.2215 21 K 3.9243 8.5116 118.5044 59.7133 32.4649 178.5056 22 I 3.8534 7.8946 119.2739 64.3309 37.0304 178.0032 23 A 4.0850 8.7589 122.0257 55.1800 17.9948 179.0276 24 E 4.0457 8.0633 114.8232 58.1918 29.6779 178.8061 25 R 4.2739 7.9617 119.3481 57.9682 30.3629 175.9333 26 S 4.5121 8.2175 114.6529 56.9008 62.3369 174.4287 27 L 4.0852 8.3157 129.6261 57.5992 41.0155 179.3793 28 L 3.8957 7.3254 119.9200 57.8554 42.3565 178.5934 29 L 4.0332 7.7467 120.1621 57.9810 41.8053 178.3845 30 K 3.8434 8.5984 120.0299 60.1185 31.8289 178.3412 31 N 4.4048 8.5945 115.1365 56.1350 38.5129 176.2320 32 Y 4.1153 7.9176 120.2868 59.0673 40.0024 176.6413 33 L 3.4620 7.3065 117.0913 55.7777 39.1441 173.7683 *75 I 4.1899 7.2646 123.2309 60.4334 40.0727 175.0336 76 V 4.7158 7.3770 115.5855 59.3167 34.3351 172.5077 *78 P 4.1757 0.0000 0.0000 62.4856 32.6024 177.7093 79 V 4.3591 8.1545 123.2119 59.6722 30.6153 171.9176 80 P 4.1550 0.0000 0.0000 63.7009 31.8839 175.9388 81 N 4.1089 8.6951 118.6024 54.3021 36.2944 174.0342 82 V 4.2621 7.0260 116.3214 60.4100 33.7542 174.9951 83 R 4.3541 8.4517 126.4603 56.0917 31.6040 177.2144 84 S 4.3009 10.1354 122.0749 62.2242 63.1083 177.4740 85 S 4.2131 8.2092 115.9320 61.6240 62.4386 176.5962 86 V 3.5151 7.5790 121.1715 65.6729 31.3730 177.6709 87 L 3.7824 7.9597 120.2154 58.0241 41.8650 178.6317 88 Q 3.9186 8.2390 120.0213 58.9190 29.0929 178.2705 89 K 4.1984 8.0067 120.7292 59.3830 32.2816 178.9934 90 V 3.7583 8.0432 118.7837 66.1592 31.4155 177.9431 91 I 3.7721 8.1354 119.8912 64.5631 37.0725 177.7415 92 E 4.0249 8.4227 120.0233 59.4067 29.1163 178.8755 93 W 4.0267 8.0602 126.7469 60.1625 31.1574 177.5859 94 A 4.3137 8.4573 120.8022 55.3229 17.8433 179.3672 95 E 3.8441 8.3914 117.1537 59.9939 29.4134 179.2315 96 H 3.7248 7.7955 116.1851 58.3526 29.8922 175.8144 97 H 4.4982 7.1397 117.0745 55.0937 29.3185 176.5766 98 R 3.9293 7.7283 120.9256 58.6466 29.1819 176.7807 99 D 4.8636 7.6478 117.4212 53.9194 41.7428 175.6668 100 S 4.5660 7.5037 114.0013 56.7150 65.0807 173.6251 101 N 4.8272 7.8478 119.1736 51.4241 41.0562 174.2368 102 F 5.1790 8.1870 119.3876 54.9992 43.1704 173.1568 103 P 4.3056 0.0000 0.0000 65.9793 31.3821 178.1553 *116 V 4.0296 7.2854 110.4537 61.3487 31.9896 174.3332 117 D 5.1428 7.7430 120.9528 53.3502 44.4361 173.4465 118 S 4.7386 8.1996 110.9266 59.5139 68.8128 176.9648 119 W 4.2131 8.4604 128.6606 60.8623 30.8512 177.7733 120 D 4.7873 8.8215 118.3889 58.0166 40.0109 179.2829 121 R 3.9665 7.5016 116.6825 59.0962 30.4497 178.2359 122 E 4.0907 8.5457 119.4555 58.7088 29.5190 178.3792 123 F 3.8936 7.7856 119.8540 60.5150 39.5844 175.3036 124 L 4.0925 7.7921 118.1467 54.3766 42.1174 177.2549 125 K 4.2104 7.3471 121.5039 55.9955 30.6439 174.7625 126 V 4.4679 6.8877 113.4805 59.3231 35.1195 175.5231 127 D 4.6953 8.2125 119.6481 52.8124 40.6732 176.2437 128 Q 4.1540 8.7450 118.6904 59.5254 28.8927 179.4722 129 E 4.1798 8.2245 113.2044 57.8085 29.5806 178.2924 *131 L 4.1086 7.9114 122.9601 55.2850 44.0907 178.0772 132 Y 4.0923 8.2963 119.0894 60.9918 38.6388 178.0554 133 E 3.7231 8.4017 119.3794 59.2385 29.4204 179.5572 134 I 3.6101 7.5631 119.3273 64.5285 37.2102 178.3511 135 I 3.3699 7.6051 120.5283 64.2717 36.7491 178.5916 136 L 3.8279 7.5809 119.6788 57.4708 41.3384 179.3356 137 A 3.9387 8.1822 120.9666 54.9114 18.3284 179.4316 138 A 3.7975 8.5443 120.0920 55.3194 18.5998 179.1395 139 N 4.1328 8.1826 115.5607 57.1177 38.7549 176.3296 140 Y 4.0347 7.9386 119.4470 60.6903 39.1237 177.5488 141 L 3.8879 8.3885 118.5798 54.3963 42.9391 175.5704 142 N 4.2971 7.7595 117.4272 54.9650 37.4933 174.3375 143 I 4.6487 7.4778 121.6142 58.3314 37.9025 176.5400 144 K 3.8064 8.1885 125.5859 59.1610 32.4835 175.3735 145 P 3.8457 0.0000 0.0000 65.4712 31.1936 178.3870 146 L 3.0838 7.0919 118.4520 57.2771 41.8297 178.3564 147 L 3.7743 7.7491 120.5346 58.2198 42.0246 178.5907 148 D 4.2519 8.1883 118.6712 57.3724 40.8230 178.4249 149 A 4.0770 7.6667 120.7439 55.3711 18.4113 179.8416 150 G 3.5199 8.0099 103.7396 48.3606 0.0000 175.7028 151 C 4.2147 8.2345 119.6738 62.2261 27.9701 176.4312 152 K 3.9942 8.7024 120.5889 59.4321 31.4142 179.5056 153 V 3.5962 7.5561 117.5011 65.9028 31.4794 178.0023 154 V 3.8034 7.5410 116.4179 66.0094 31.6528 177.4969 155 A 4.1910 8.1537 120.5676 54.8137 18.3638 179.3808 156 E 4.2503 8.2022 119.2610 56.1123 29.1959 177.8355 *158 I 4.2301 7.6964 120.3127 61.1752 39.4923 176.4158 159 R 3.7586 8.0612 118.9029 57.4469 29.9196 175.8202 160 G 3.9306 8.8464 111.9840 46.2461 0.0000 173.0707 161 R 4.6713 7.9791 118.2698 54.5874 32.2170 176.4648 162 S 4.7230 9.0994 115.3382 56.3304 66.2270 173.4175 163 P 4.2922 0.0000 0.0000 66.2578 31.0625 178.7668 164 E 4.0364 8.1553 116.4182 59.4428 29.4434 179.1313 165 E 4.0015 7.9477 118.8394 59.4452 29.3732 179.4901 166 I 3.8139 8.6117 120.4422 64.3437 37.0544 178.7129 167 R 4.0286 8.1109 119.0366 59.4259 29.7031 179.3651 168 R 3.9279 7.9008 116.6462 59.1863 30.0549 178.9218 169 T 3.8105 7.5094 114.8948 65.5316 68.4355 175.7208 170 F 4.7130 7.4587 116.1849 55.7838 40.3380 174.7910 171 N 4.1355 7.9731 115.6799 54.4405 37.0705 173.6506 172 I 4.1233 7.9204 116.5915 60.0859 39.3857 174.5100 173 V 4.0292 7.9333 125.4979 61.3491 32.4804 175.5518 174 N 4.4394 8.5750 126.0500 53.2916 37.5751 173.2761 175 D 4.7189 7.9308 123.4195 52.7803 39.9110 176.7244 176 F 4.6585 7.6610 118.7995 57.5572 39.8290 176.1500 177 T 4.1837 8.5065 115.4841 60.9617 70.7350 173.6722 178 P 4.1933 0.0000 0.0000 66.2818 31.1916 178.2357 179 E 3.8929 8.1566 117.3267 59.3478 29.4892 178.2876 180 E 3.9105 8.0801 118.1688 59.5820 29.8988 179.2509 181 E 3.7910 8.4256 118.2574 59.4533 29.4265 179.2367 182 A 4.2145 7.5838 118.8836 54.7015 17.3586 178.4729 183 A 4.3814 7.5410 117.6080 52.3156 18.7793 177.9320 184 I 4.5421 7.7788 118.6508 61.0381 37.6302 176.9134 185 R 4.3629 7.5578 117.0931 54.6473 31.3513 175.2839 186 R 4.1017 7.3842 121.6616 56.6326 30.7834 175.6880 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 4 S 8.19 4.53 0.00 3.94 3.83 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 5 N 8.73 5.52 0.00 2.74 2.67 0.00 0.00 6.90 6.79 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 6 V 8.52 4.99 2.15 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 0.86 0.00 0.00 1.03 0.00 0.00 7 V 9.80 4.88 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 1.10 0.00 0.00 0.97 0.00 0.00 8 L 9.61 4.83 0.00 1.54 1.53 0.89 0.65 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 9 V 8.33 4.84 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 1.13 0.00 0.00 0.98 0.00 0.00 10 S 9.39 4.75 0.00 4.13 4.18 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 11 G 9.16 3.74 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 0.00 0.00 0.00 12 E 8.25 4.32 0.00 2.02 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 2.29 2.32 0.00 13 G 8.46 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 0.00 0.00 0.00 14 E 7.86 4.20 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 15 R 8.52 4.88 0.00 1.68 1.90 0.00 3.16 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 16 F 9.50 4.82 0.00 3.03 2.97 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 0.00 0.00 0.00 17 T 8.63 5.11 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 18 V 8.45 4.59 2.15 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 0.99 0.00 0.00 0.98 0.00 0.00 19 D 8.88 4.94 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.23 3.81 0.00 1.85 1.99 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.52 7.81 21 K 8.51 3.92 0.00 1.75 1.96 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 22 I 7.89 3.85 2.00 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 1.55 0.73 0.95 0.00 0.00 23 A 8.76 4.09 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 24 E 8.06 4.05 0.00 2.23 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 2.38 2.52 0.00 25 R 7.96 4.27 0.00 2.12 2.10 0.00 3.44 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 26 S 8.22 4.51 0.00 3.88 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 27 L 8.32 4.09 0.00 1.66 1.70 0.97 0.82 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 28 L 7.33 3.90 0.00 1.48 1.58 0.71 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.75 4.03 0.00 1.71 1.88 0.99 0.27 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 30 K 8.60 3.84 0.00 2.03 1.97 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.67 7.81 31 N 8.59 4.40 0.00 2.71 2.88 0.00 0.00 7.03 7.36 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 32 Y 7.92 4.12 0.00 3.13 3.21 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 33 L 7.31 3.46 0.00 1.70 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 *75 I 7.26 4.19 1.92 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 1.34 1.40 0.97 0.00 0.00 76 V 7.38 4.72 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 1.21 0.00 0.00 0.97 0.00 0.00 *78 P 0.00 4.18 0.00 2.13 2.03 0.00 3.59 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 79 V 8.15 4.36 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 1.04 0.00 0.00 0.92 0.00 0.00 80 P 0.00 4.16 0.00 1.82 1.90 0.00 3.85 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 2.06 2.12 0.00 81 N 8.70 4.11 0.00 2.66 2.78 0.00 0.00 6.75 7.68 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 82 V 7.03 4.26 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 0.93 0.00 0.00 0.82 0.00 0.00 83 R 8.45 4.35 0.00 1.88 1.84 0.00 3.23 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 84 S 10.14 4.30 0.00 3.97 4.18 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 85 S 8.21 4.21 0.00 4.07 4.18 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 86 V 7.58 3.52 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 1.09 0.00 0.00 0.90 0.00 0.00 87 L 7.96 3.78 0.00 1.58 1.31 0.77 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.24 3.92 0.00 2.58 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.69 0.00 89 K 8.01 4.20 0.00 2.20 1.99 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.18 1.60 7.81 90 V 8.04 3.76 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 1.01 0.00 0.00 0.92 0.00 0.00 91 I 8.14 3.77 2.07 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 1.01 0.00 0.00 92 E 8.42 4.02 0.00 2.24 2.50 0.00 0.00 0.00 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 2.63 0.00 93 W 8.06 4.03 0.00 2.83 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 94 A 8.46 4.31 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 3.84 0.00 2.02 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 2.36 2.57 0.00 96 H 7.80 3.72 0.00 2.82 2.84 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.14 4.50 0.00 2.50 2.88 0.00 5.88 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.73 3.93 0.00 1.83 2.10 0.00 2.92 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 99 D 7.65 4.86 0.00 2.49 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 0.00 100 S 7.50 4.57 0.00 3.61 3.09 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 0.00 101 N 7.85 4.83 0.00 2.48 2.58 0.00 0.00 6.72 7.45 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 0.00 102 F 8.19 5.18 0.00 3.03 2.84 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 0.00 103 P 0.00 4.31 0.00 2.10 2.17 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 *116 V 7.29 4.03 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 0.74 0.00 0.00 0.99 0.00 0.00 117 D 7.74 5.14 0.00 2.74 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 0.00 118 S 8.20 4.74 0.00 3.90 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 0.00 119 W 8.46 4.21 0.00 3.45 3.27 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 0.00 120 D 8.82 4.79 0.00 3.07 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 0.00 121 R 7.50 3.97 0.00 2.06 2.04 0.00 3.34 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 122 E 8.55 4.09 0.00 1.98 1.80 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 2.28 2.29 0.00 123 F 7.79 3.89 0.00 1.85 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 0.00 124 L 7.79 4.09 0.00 1.71 1.60 0.95 0.59 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 0.00 125 K 7.35 4.21 0.00 1.97 1.68 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.37 7.81 126 V 6.89 4.47 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 0.63 0.00 0.00 0.88 0.00 0.00 127 D 8.21 4.70 0.00 2.74 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 0.00 128 Q 8.75 4.15 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.11 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 129 E 8.22 4.18 0.00 2.20 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 2.33 2.42 0.00 *131 L 7.91 4.11 0.00 1.72 1.86 0.86 0.83 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 0.00 132 Y 8.30 4.09 0.00 3.14 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 0.00 133 E 8.40 3.72 0.00 2.13 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 2.33 0.00 134 I 7.56 3.61 1.91 0.00 0.00 0.60 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 0.81 0.83 0.00 0.00 135 I 7.61 3.37 1.92 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 1.44 0.64 0.83 0.00 0.00 136 L 7.58 3.83 0.00 1.61 1.50 0.34 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.18 3.94 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 0.00 138 A 8.54 3.80 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 0.00 139 N 8.18 4.13 0.00 2.83 3.01 0.00 0.00 6.94 7.80 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 0.00 140 Y 7.94 4.03 0.00 2.96 3.08 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 0.00 141 L 8.39 3.89 0.00 1.72 1.64 0.90 0.73 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 0.00 142 N 7.76 4.30 0.00 2.80 2.70 0.00 0.00 6.86 7.37 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 0.00 143 I 7.48 4.65 1.71 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 1.36 0.57 0.81 0.00 0.00 144 K 8.19 3.81 0.00 1.83 1.80 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.59 7.81 145 P 0.00 3.85 0.00 2.18 0.64 0.00 3.61 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 2.28 2.06 0.00 146 L 7.09 3.08 0.00 0.27 1.13 -0.01 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.75 3.77 0.00 1.65 1.74 0.88 1.37 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 0.00 148 D 8.19 4.25 0.00 2.60 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 0.00 149 A 7.67 4.08 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 0.00 150 G 8.01 3.52 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 0.00 0.00 0.00 151 C 8.23 4.21 0.00 3.10 2.98 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 0.00 152 K 8.70 3.99 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 153 V 7.56 3.60 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 0.80 0.00 0.00 0.99 0.00 0.00 154 V 7.54 3.80 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 0.91 0.00 0.00 1.01 0.00 0.00 155 A 8.15 4.19 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 0.00 156 E 8.20 4.25 0.00 2.14 2.15 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 2.34 2.41 0.00 *158 I 7.70 4.23 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 0.98 0.00 0.00 159 R 8.06 3.76 0.00 1.96 1.89 0.00 3.41 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 160 G 8.85 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 0.00 0.00 0.00 161 R 7.98 4.67 0.00 1.93 1.87 0.00 3.31 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 162 S 9.10 4.72 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 4.29 0.00 2.22 2.24 0.00 3.62 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 2.15 2.25 0.00 164 E 8.16 4.04 0.00 1.99 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 2.43 2.36 0.00 165 E 7.95 4.00 0.00 2.18 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 2.32 2.35 0.00 166 I 8.61 3.81 2.10 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 1.61 1.06 1.15 0.00 0.00 167 R 8.11 4.03 0.00 2.07 2.16 0.00 3.34 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.07 0.00 168 R 7.90 3.93 0.00 1.76 1.95 0.00 3.32 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 169 T 7.51 3.81 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 0.39 0.00 0.00 170 F 7.46 4.71 0.00 2.96 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 0.00 171 N 7.97 4.14 0.00 2.80 2.85 0.00 0.00 7.01 7.94 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 0.00 172 I 7.92 4.12 1.94 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 0.94 0.91 0.00 0.00 173 V 7.93 4.03 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 0.79 0.00 0.00 0.91 0.00 0.00 174 N 8.57 4.44 0.00 2.74 2.77 0.00 0.00 7.07 8.47 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 0.00 175 D 7.93 4.72 0.00 2.68 2.61 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 0.00 176 F 7.66 4.66 0.00 3.11 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 0.00 177 T 8.51 4.18 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 0.00 178 P 0.00 4.19 0.00 2.18 2.19 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 179 E 8.16 3.89 0.00 2.04 1.93 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 2.37 2.40 0.00 180 E 8.08 3.91 0.00 2.21 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 2.40 2.62 0.00 181 E 8.43 3.79 0.00 2.26 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 2.34 2.44 0.00 182 A 7.58 4.21 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 0.00 183 A 7.54 4.38 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 0.00 184 I 7.78 4.54 1.69 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.57 0.72 0.00 0.00 185 R 7.56 4.36 0.00 1.83 1.95 0.00 3.16 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 186 R 7.38 4.10 0.00 2.08 1.91 0.00 3.17 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.