NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 3.7575 8.4045 120.3090 55.1098 33.0531 175.0750 6 R 4.2417 8.1016 125.1807 53.2292 30.9328 167.3928 7 V 3.6459 8.1790 122.4852 63.8765 32.8298 175.5954 8 G 4.0501 8.5409 114.8188 44.5035 0.0000 173.8962 9 E 4.2969 7.8938 120.0392 56.8062 30.3685 176.5150 10 R 5.5054 8.6166 118.8996 54.6128 33.2320 174.0331 11 F 5.0242 9.1714 121.0376 56.9204 43.1246 173.4673 12 T 4.8116 7.1214 119.7904 61.8845 72.4117 172.7874 13 H 4.6811 8.8484 123.4534 54.6346 33.2135 171.7191 14 D 5.4556 8.5836 124.6798 52.6738 44.1613 175.8097 15 F 4.5426 9.0037 124.6910 56.7966 42.6605 173.5965 16 V 3.7991 7.9621 127.3899 62.9090 32.0220 175.4505 17 V 3.5980 8.4678 129.4640 61.9824 32.3383 173.8646 18 P 4.8623 0.0000 0.0000 60.7741 33.2672 175.0101 19 P 4.2312 0.0000 0.0000 65.8823 31.2112 177.1859 20 H 4.0851 7.9751 110.8402 55.4279 28.7952 175.3384 21 K 3.6914 7.7409 118.2162 56.4765 32.3849 176.2843 22 T 5.3941 7.5641 109.8648 59.4269 70.8542 175.5742 23 V 3.3668 8.6663 121.3614 66.1156 31.3502 178.2493 24 R 4.1375 8.0280 114.8498 58.7208 29.6048 177.8015 25 H 4.4842 8.0243 115.3042 57.6247 29.3821 176.5652 26 L 3.8424 7.8802 120.6440 57.7026 42.0621 177.1257 27 Y 4.6865 7.3977 117.8392 53.8693 37.9860 174.2165 28 P 4.7959 0.0000 0.0000 63.9313 31.9494 177.0104 29 E 4.3401 8.3176 115.8740 56.0246 29.9873 175.2634 30 S 4.7266 8.1918 116.1671 56.0964 62.4924 172.9430 31 P 4.3788 0.0000 0.0000 65.5960 31.3564 177.7952 32 E 4.0657 8.0308 117.6430 58.6485 29.6046 177.5742 33 F 4.7413 8.0168 116.2950 58.0108 39.8087 177.4974 34 A 4.0311 7.7119 123.1143 54.8955 18.0999 178.0869 35 E 4.7418 8.1849 112.4543 56.2131 29.9825 176.2197 36 F 4.3492 8.5605 118.0761 56.3448 39.5625 173.5339 37 P 4.2561 0.0000 0.0000 63.5290 32.0735 177.4347 38 E 4.4613 8.6348 122.2184 56.2362 28.2261 176.2641 39 V 4.7919 7.1871 113.4539 58.8424 36.2394 176.5359 40 F 5.0102 9.3080 125.5865 59.0857 39.7097 175.0157 41 A 4.1281 8.7044 127.9269 51.9919 19.1497 178.3249 42 T 3.8008 8.7677 117.8769 66.8780 68.5633 177.2771 43 G 3.3515 7.7317 106.8451 47.7084 0.0000 175.5321 44 F 4.3407 7.4355 119.3938 60.2927 38.9843 177.4351 45 M 4.1483 7.4911 118.0276 58.2902 31.8456 178.4821 46 V 3.5947 7.9785 118.9058 65.9563 31.7732 178.0553 47 G 3.7106 7.9474 105.4709 47.9240 0.0000 175.2762 48 L 4.2192 8.5154 123.0331 58.0865 41.8386 178.8763 49 M 4.0426 8.4467 119.0571 58.5974 31.8799 178.5916 50 E 3.8326 8.3787 118.8611 59.0623 29.5878 179.0917 51 W 4.3135 8.3294 128.1770 60.6355 30.7136 177.8494 52 A 3.8067 7.9856 120.3545 55.2585 17.8026 179.4821 53 C 2.9445 7.3381 113.8789 62.3059 28.2036 176.2522 54 V 3.5262 7.8823 120.2356 66.2275 30.8250 178.3973 55 R 3.7793 7.5925 116.2845 59.0266 29.9101 178.5178 56 A 3.9498 7.2202 119.8857 55.0046 18.6506 179.0047 57 M 4.4870 8.1909 114.6512 57.2915 31.7960 178.5164 58 A 3.9516 7.7723 122.4377 55.0118 18.3658 177.8417 59 P 4.1613 0.0000 0.0000 64.8622 31.4086 176.7390 60 Y 4.4603 8.1915 113.6829 57.6464 38.5855 175.7234 61 L 4.5500 7.4846 120.2200 53.8610 42.8553 176.7070 62 E 4.2492 9.5984 122.0560 55.1373 30.2518 174.5069 63 P 4.1381 0.0000 0.0000 64.3217 31.5493 176.8881 64 G 3.9967 9.2006 111.9800 45.1730 0.0000 172.6279 65 E 4.9075 7.9611 119.1633 55.6291 31.3008 176.3719 66 G 4.1633 8.4986 108.6152 46.0782 0.0000 171.2328 67 S 5.1657 8.4058 113.8817 57.4546 65.9872 174.0138 68 L 4.7754 8.5760 120.3051 52.4846 45.6400 176.2902 69 G 4.0999 8.7915 110.0615 46.8846 0.0000 173.3240 70 T 4.6592 8.6442 115.5251 61.7168 70.3570 174.5832 71 A 4.4958 7.3602 120.9703 51.3482 22.3396 174.9245 72 I 5.0077 8.4502 120.5655 59.5930 41.4790 174.7206 73 C 4.6238 9.0527 129.4926 58.4277 33.5603 172.6535 74 V 5.1419 8.1723 117.9899 59.5506 35.4019 175.3614 75 T 4.4837 8.6963 113.3886 61.2800 71.2442 173.6810 76 H 5.3460 8.7143 122.1566 55.2235 31.4859 172.4665 77 T 4.7425 9.4734 114.5356 61.2080 69.7998 173.9741 78 A 4.6267 7.8931 123.3189 50.8684 22.2623 175.3066 79 A 4.6977 8.3623 122.1347 51.3144 20.9918 177.1692 80 T 4.6754 8.3772 116.0968 60.9711 72.1408 172.0926 81 P 4.9359 0.0000 0.0000 61.6100 33.0314 174.3497 82 P 4.4061 0.0000 0.0000 64.2471 31.7921 176.2901 83 G 4.0040 9.3674 111.1556 45.3891 0.0000 174.3436 84 L 4.2085 7.3035 117.8979 54.8957 43.3527 176.3813 85 T 4.5343 8.2494 118.3167 62.6356 70.2128 173.8766 86 V 4.3996 8.8247 127.7728 62.2279 33.2185 174.5727 87 T 4.8840 8.7649 125.6566 62.0259 70.3669 173.7317 88 V 4.8334 9.0587 127.1261 61.3986 34.4963 174.4277 89 T 5.0212 8.7116 122.8312 61.6737 72.1338 172.5076 90 A 5.3347 9.0740 128.3866 50.1038 21.4505 174.6106 91 E 5.2971 9.6185 124.1507 53.9905 32.7280 174.8702 92 L 3.3049 8.8215 129.8615 55.2639 42.5203 177.1905 93 R 4.4559 8.9641 125.6089 57.3225 32.2878 176.5333 94 S 4.5890 7.3508 110.9257 56.9215 66.6871 173.5976 95 V 4.5887 8.2203 122.8064 62.0367 34.2621 175.5217 96 E 4.4723 9.2578 124.2153 54.5970 32.7746 173.7535 97 G 3.8580 8.4543 121.1026 47.0733 0.0000 173.6409 98 R 4.3582 8.9560 126.1481 56.1895 29.7747 176.1514 99 R 5.0931 7.8609 120.1866 56.2510 31.5600 179.5304 100 L 5.0235 9.1209 124.9100 51.9138 44.8921 175.5573 101 S 5.0387 8.5697 117.0766 56.2994 65.3793 172.4875 102 W 5.1519 9.3492 127.2387 54.8334 32.2107 174.8198 103 R 4.7369 9.0887 125.3243 55.9413 30.8848 175.4083 104 V 5.1956 8.8468 119.9304 59.7823 34.9678 174.9244 105 S 5.2680 8.9907 117.1221 57.1583 67.2270 172.4655 106 A 5.8694 9.2523 121.0818 51.1353 22.8125 174.9959 107 H 5.3572 8.5079 115.0033 53.9829 32.4125 173.2486 108 D 5.2730 8.3055 118.3362 52.4756 39.3559 177.8382 109 G 4.0185 8.5444 108.2371 45.9067 0.0000 174.3076 110 V 4.1634 8.0159 116.5807 63.9458 33.3308 175.0332 111 D 5.0622 8.4986 118.7517 51.7522 44.1172 175.2512 112 E 4.5430 8.7926 121.4855 56.9777 29.9673 176.9952 113 I 4.3835 8.8106 117.1059 60.8748 39.9399 175.4205 114 G 4.5028 7.6311 109.4961 46.7520 0.0000 171.8983 115 S 5.0381 7.1205 113.3721 57.2384 66.5810 176.4183 116 G 4.1924 7.1155 107.1110 46.3655 0.0000 171.4270 117 T 5.3293 8.2785 112.5012 60.2445 72.8971 173.0095 118 H 5.5107 9.4828 121.8778 54.5999 33.6496 171.8449 119 E 5.3453 9.2981 124.0851 54.6903 33.1071 175.1849 120 R 5.1916 9.0568 120.9905 54.3725 34.7789 174.0235 121 A 5.2038 8.5979 123.3480 50.1144 21.7681 176.0102 122 V 4.3795 8.6496 123.4690 62.5605 32.3495 175.4364 123 I 4.5950 8.5258 123.4700 59.6701 41.2822 175.3782 *124 H 4.6972 8.5883 119.8814 53.8522 28.1635 176.8259 125 L 4.0896 8.9692 128.1026 57.6356 41.9225 179.0256 126 E 4.1166 8.1712 117.9471 58.9163 29.2322 179.0537 127 K 3.9107 8.0068 118.6796 59.4270 32.6810 178.0005 128 F 4.2967 8.4438 120.9658 61.5794 39.2595 176.6410 129 N 4.1201 8.9271 116.0369 56.2900 38.4375 176.9242 130 A 3.9340 8.2533 122.3072 55.4248 18.2567 179.9440 131 K 3.8896 7.7425 116.6562 59.5864 32.2319 180.0896 132 V 3.6151 7.1915 112.1449 63.9897 31.3108 178.4298 133 R 3.9150 7.8785 117.8326 59.4059 29.9500 178.6753 134 Q 4.1357 7.7412 116.2567 58.1317 28.6852 177.0836 135 K 4.3585 7.1858 115.7386 56.3595 33.1607 176.3327 136 T 3.9298 7.4575 117.8158 63.0213 68.5894 172.6082 137 P 4.4036 0.0000 0.0000 63.0120 31.3566 176.1361 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 5 M 8.40 3.76 0.00 1.59 0.88 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 6 R 8.10 4.24 0.00 1.77 1.78 0.00 3.34 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 7 V 8.18 3.65 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 0.90 0.00 0.00 0.80 0.00 0.00 8 G 8.54 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 9 E 7.89 4.30 0.00 2.08 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 2.38 2.38 0.00 10 R 8.62 5.51 0.00 1.94 1.99 0.00 3.04 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 11 F 9.17 5.02 0.00 3.18 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 12 T 7.12 4.81 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 1.03 0.00 0.00 13 H 8.85 4.68 0.00 3.11 2.94 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.58 5.46 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 9.00 4.54 0.00 2.80 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 16 V 7.96 3.80 1.77 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 0.59 0.00 0.00 0.77 0.00 0.00 17 V 8.47 3.60 1.86 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 0.78 0.00 0.00 0.36 0.00 0.00 18 P 0.00 4.86 0.00 2.03 2.00 0.00 3.67 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 19 P 0.00 4.23 0.00 2.07 2.18 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 20 H 7.98 4.09 0.00 3.09 3.23 0.00 5.68 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.74 3.69 0.00 1.99 2.10 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.71 7.81 22 T 7.56 5.39 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 23 V 8.67 3.37 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 -0.01 0.00 0.00 0.98 0.00 0.00 24 R 8.03 4.14 0.00 2.08 2.36 0.00 3.08 0.00 0.00 3.66 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.00 25 H 8.02 4.48 0.00 3.60 3.63 0.00 5.66 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 26 L 7.88 3.84 0.00 1.19 1.58 -0.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.40 4.69 0.00 3.23 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.80 0.00 2.08 2.15 0.00 3.72 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 29 E 8.32 4.34 0.00 2.16 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 2.52 2.36 0.00 30 S 8.19 4.73 0.00 3.84 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 31 P 0.00 4.38 0.00 2.18 2.17 0.00 3.48 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 32 E 8.03 4.07 0.00 1.54 1.86 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 2.18 2.32 0.00 33 F 8.02 4.74 0.00 3.03 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 34 A 7.71 4.03 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 35 E 8.18 4.74 0.00 2.06 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 2.28 2.37 0.00 36 F 8.56 4.35 0.00 3.12 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 37 P 0.00 4.26 0.00 2.11 2.05 0.00 3.71 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 38 E 8.63 4.46 0.00 2.01 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 2.39 2.33 0.00 39 V 7.19 4.79 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 0.93 0.00 0.00 1.03 0.00 0.00 40 F 9.31 5.01 0.00 3.05 3.13 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 41 A 8.70 4.13 1.13 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 42 T 8.77 3.80 4.19 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 1.18 0.00 0.00 43 G 7.73 3.35 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 0.00 44 F 7.44 4.34 0.00 2.65 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 7.49 4.15 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 46 V 7.98 3.59 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 0.91 0.00 0.00 47 G 7.95 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 48 L 8.52 4.22 0.00 1.92 1.93 0.41 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.45 4.04 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.60 0.00 50 E 8.38 3.83 0.00 2.10 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 1.81 2.30 0.00 51 W 8.33 4.31 0.00 3.53 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.99 3.81 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 53 C 7.34 2.94 0.00 2.79 1.85 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 54 V 7.88 3.53 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 1.03 0.00 0.00 0.93 0.00 0.00 55 R 7.59 3.78 0.00 1.34 1.29 0.00 3.20 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 56 A 7.22 3.95 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 57 M 8.19 4.49 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.87 0.00 58 A 7.77 3.95 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 59 P 0.00 4.16 0.00 1.33 1.84 0.00 3.78 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 1.96 2.08 0.00 60 Y 8.19 4.46 0.00 3.11 3.06 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 0.00 0.00 0.00 61 L 7.48 4.55 0.00 1.68 1.62 0.95 1.00 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 62 E 9.60 4.25 0.00 1.96 1.87 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 2.46 2.44 0.00 63 P 0.00 4.14 0.00 2.04 2.03 0.00 3.68 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 2.04 2.14 0.00 64 G 9.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.96 4.91 0.00 2.25 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 0.00 2.45 2.26 0.00 66 G 8.50 4.16 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 0.00 67 S 8.41 5.17 0.00 3.96 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 68 L 8.58 4.78 0.00 1.43 1.44 0.32 0.58 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 69 G 8.79 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.64 4.66 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 1.22 0.00 0.00 71 A 7.36 4.50 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 72 I 8.45 5.01 1.92 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 1.22 0.88 0.92 0.00 0.00 73 C 9.05 4.62 0.00 3.04 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.17 5.14 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 0.83 0.00 0.00 0.93 0.00 0.00 75 T 8.70 4.48 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 1.24 0.00 0.00 76 H 8.71 5.35 0.00 3.11 3.20 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.47 4.74 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 78 A 7.89 4.63 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 79 A 8.36 4.70 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 80 T 8.38 4.68 4.38 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 1.21 0.00 0.00 81 P 0.00 4.94 0.00 2.12 2.20 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 82 P 0.00 4.41 0.00 2.04 2.13 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 83 G 9.37 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.30 4.21 0.00 1.62 1.73 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.25 4.53 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 1.09 0.00 0.00 86 V 8.82 4.40 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 1.06 0.00 0.00 0.66 0.00 0.00 87 T 8.76 4.88 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 1.11 0.00 0.00 88 V 9.06 4.83 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 1.06 0.00 0.00 0.95 0.00 0.00 89 T 8.71 5.02 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 1.23 0.00 0.00 90 A 9.07 5.33 1.15 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 0.00 0.00 91 E 9.62 5.30 0.00 2.06 1.87 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 2.20 2.24 0.00 92 L 8.82 3.30 0.00 1.02 1.16 -0.41 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.96 4.46 0.00 1.72 1.87 0.00 3.35 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 94 S 7.35 4.59 0.00 3.75 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 95 V 8.22 4.59 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 0.65 0.00 0.00 0.73 0.00 0.00 96 E 9.26 4.47 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 97 G 8.45 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.96 4.36 0.00 1.74 1.90 0.00 3.22 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.17 0.00 99 R 7.86 5.09 0.00 1.50 1.83 0.00 3.19 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 100 L 9.12 5.02 0.00 1.64 1.35 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.57 5.04 0.00 3.79 3.55 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 0.00 102 W 9.35 5.15 0.00 3.33 3.15 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 0.00 103 R 9.09 4.74 0.00 1.94 1.88 0.00 3.07 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 104 V 8.85 5.20 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 0.75 0.00 0.00 1.03 0.00 0.00 105 S 8.99 5.27 0.00 3.88 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 0.00 106 A 9.25 5.87 1.25 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 0.00 0.00 0.00 107 H 8.51 5.36 0.00 3.29 3.53 0.00 5.44 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.31 5.27 0.00 2.77 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 0.00 109 G 8.54 4.02 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 0.00 0.00 0.00 110 V 8.02 4.16 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 0.93 0.00 0.00 111 D 8.50 5.06 0.00 2.71 2.53 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 0.00 112 E 8.79 4.54 0.00 1.99 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 2.33 2.26 0.00 113 I 8.81 4.38 2.14 0.00 0.00 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 1.30 1.07 1.05 0.00 0.00 114 G 7.63 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.12 5.04 0.00 4.06 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 0.00 116 G 7.12 4.19 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 0.00 117 T 8.28 5.33 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 1.27 0.00 0.00 118 H 9.48 5.51 0.00 3.22 3.23 0.00 5.54 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.30 5.35 0.00 1.88 1.85 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 2.24 2.27 0.00 120 R 9.06 5.19 0.00 1.84 1.86 0.00 3.12 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 121 A 8.60 5.20 1.18 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 0.00 0.00 122 V 8.65 4.38 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 1.01 0.00 0.00 123 I 8.53 4.59 1.81 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.64 0.70 0.00 0.00 *124 H 8.59 4.70 0.00 2.86 3.02 0.00 7.19 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.97 4.09 0.00 1.89 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.17 4.12 0.00 2.04 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 2.43 2.32 0.00 127 K 8.01 3.91 0.00 1.78 2.05 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 128 F 8.44 4.30 0.00 3.23 3.33 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 0.00 129 N 8.93 4.12 0.00 2.93 2.85 0.00 0.00 6.96 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.25 3.93 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 0.00 131 K 7.74 3.89 0.00 1.76 1.72 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.62 7.81 132 V 7.19 3.62 1.86 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 0.23 0.00 0.00 0.81 0.00 0.00 133 R 7.88 3.91 0.00 1.99 1.97 0.00 3.14 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 134 Q 7.74 4.14 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 135 K 7.19 4.36 0.00 1.89 1.90 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.34 7.81 136 T 7.46 3.93 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 1.19 0.00 0.00 137 P 0.00 4.40 0.00 2.17 2.03 0.00 3.78 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 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.