NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.4714 8.3493 120.1796 53.8080 42.7833 175.3145 12 Y 4.1544 7.5299 115.3111 55.1402 38.7952 173.3367 13 L 4.0798 9.1113 124.8483 54.9177 43.9620 178.2270 14 E 4.4590 8.3585 124.9983 54.6277 32.4341 177.2528 15 W 4.3057 8.5124 120.5599 59.8146 29.1299 177.0081 16 P 4.4619 0.0000 0.0000 65.8457 30.8368 178.5466 17 E 4.2071 8.3694 116.8929 59.4055 29.4038 178.5595 18 Y 3.9779 8.1251 119.6132 60.8893 38.9198 178.3211 19 F 4.1606 8.1365 119.0175 60.6686 38.7562 177.4391 20 M 4.1006 7.9029 117.6876 58.3267 31.9086 178.1181 21 A 3.9738 8.1523 121.3476 55.0595 18.5506 179.7253 22 V 3.3969 7.7278 116.5198 65.9570 31.5792 177.8451 23 A 4.0352 8.0540 120.4802 55.5929 17.7159 179.7452 24 F 3.8712 8.7801 116.3403 60.3530 38.8789 177.7121 25 L 4.0277 8.7760 120.4825 58.4151 41.9183 179.2350 26 S 4.1431 8.6971 115.1926 61.5662 62.7219 176.5363 27 A 4.2235 7.6313 122.3750 55.1163 17.8681 179.1037 28 Q 4.1298 7.6439 114.2309 57.6191 28.9635 178.0411 29 R 3.8283 7.3964 118.7602 56.7229 30.3034 176.6489 30 S 4.3289 7.2106 114.6492 58.0500 62.7823 174.0097 31 K 4.1849 8.6017 125.9055 56.9976 32.4844 176.3411 32 D 4.3873 7.7270 119.8132 53.9051 41.0357 174.3172 33 P 4.4930 0.0000 0.0000 64.7194 32.2199 177.4592 34 N 4.5554 8.4855 116.5886 55.6805 38.8594 175.1280 35 S 4.6577 8.3536 109.5372 57.1818 65.9853 173.6013 36 Q 4.6384 8.5107 119.8593 54.2829 31.2759 174.9567 37 V 4.4460 9.1890 123.1795 60.9627 35.1909 174.4664 38 G 4.8634 8.5365 110.9007 43.7164 0.0000 170.9115 39 A 5.3473 8.7614 120.8750 50.6365 23.4511 175.1056 40 C 5.1192 9.4376 121.1910 57.9630 35.2901 172.6389 41 I 4.8848 9.0402 127.6403 59.8195 39.0323 174.9670 42 V 4.6934 8.7397 126.4069 61.0342 35.1483 174.8122 43 N 5.1182 8.5163 125.0669 51.2657 39.5834 175.8921 44 S 4.1785 8.6353 112.5073 60.7439 63.1062 174.6000 45 E 4.3169 8.2243 119.5072 55.6057 29.2033 175.4244 46 N 3.9199 7.6052 114.8120 54.1468 36.7826 174.1440 47 K 4.5288 7.8809 116.3682 54.3836 34.0587 176.4115 48 I 4.2289 8.3954 124.4822 61.7111 37.3553 176.1267 49 V 4.3678 8.3879 117.8318 60.7312 33.2792 176.0346 50 G 4.1245 7.4476 104.7409 45.5794 0.0000 172.7793 51 I 5.2899 8.0335 123.2522 59.7078 42.0298 174.3494 52 G 4.3080 9.0140 110.9196 45.6177 0.0000 171.2556 53 Y 5.7297 7.7868 118.0171 54.6082 41.4101 174.0853 54 N 4.8309 8.9754 117.7125 52.6752 38.8810 174.9003 55 G 4.0463 7.9757 105.9166 46.8590 0.0000 172.0182 56 M 4.8015 8.6779 119.1526 54.0234 33.1505 175.1871 57 P 4.3701 0.0000 0.0000 62.2875 32.1833 175.8540 58 N 4.3676 8.5694 117.1385 55.5867 38.6592 175.8399 59 G 3.9883 9.1189 111.0189 45.6798 0.0000 173.4492 60 C 4.9652 8.2258 116.2002 58.6386 28.5554 176.0210 61 S 4.1944 8.1360 116.4358 60.7679 62.7765 174.2426 62 D 4.6681 8.0183 118.7512 53.9907 40.8670 174.7947 63 D 4.8185 7.9100 118.7726 52.7721 42.3545 175.5246 64 V 4.5450 8.2065 122.7937 61.1299 33.9179 175.5738 65 L 4.6722 8.0591 126.8383 51.6329 41.8659 174.5393 66 P 4.5112 0.0000 0.0000 62.5482 29.0744 174.9991 *80 P 4.1741 0.0000 0.0000 62.9008 33.4444 177.4085 81 Y 4.7342 7.4342 112.4753 58.2559 40.4000 176.8973 82 V 4.0789 7.7721 118.7789 61.8395 32.6991 175.4559 83 C 4.7379 9.2892 121.5211 58.3824 30.3945 173.4019 84 H 4.8456 8.7034 120.3122 55.2445 29.6217 176.0929 85 A 4.0813 8.9373 122.5602 55.8938 17.9019 180.2285 86 E 3.8839 8.0859 116.1933 59.2700 29.5943 179.0119 87 L 3.9073 7.8553 119.8649 58.3782 42.1322 178.7041 88 N 4.2254 8.1480 116.0977 56.1116 38.2095 177.1208 89 A 4.2145 7.8287 122.6909 54.7230 18.2982 179.5386 90 I 3.8244 7.6095 117.6011 64.8328 37.0109 178.6846 91 M 4.1271 8.0532 118.4209 57.9705 31.8345 177.6700 92 N 4.6325 8.1950 114.5414 54.1708 39.3495 174.8277 93 K 3.9816 7.3483 118.3631 57.0853 38.2544 174.9587 *98 V 3.9638 7.5637 112.7433 60.9396 32.8987 175.0432 99 K 4.1910 8.0289 121.3867 57.7714 32.3499 177.1625 100 G 3.9137 9.0666 114.9425 45.4827 0.0000 173.1406 101 C 4.5548 7.6796 117.3125 59.5011 30.0284 172.4888 102 S 5.0860 8.8353 116.2864 57.0088 65.7040 173.0295 103 M 4.9904 8.7712 123.7764 54.0452 34.5608 173.8832 104 Y 4.8654 9.2569 124.6159 56.9422 39.9540 175.1283 105 V 4.9697 8.9918 117.2186 59.4152 35.5949 176.7377 106 A 4.2226 8.8811 126.5211 54.1688 19.2833 177.2132 107 L 5.2670 7.6934 115.3168 52.7230 45.2719 176.3465 108 F 3.8726 9.0237 127.8899 57.9993 39.6241 173.4662 109 P 4.7614 0.0000 0.0000 61.9458 32.0073 176.5237 110 C 4.5320 8.3381 117.1593 57.6084 32.2590 174.3106 111 N 4.2211 8.4574 117.6224 55.8821 36.7389 177.1178 112 E 3.8947 8.0044 120.5727 59.5587 29.6065 178.8916 113 C 4.1888 8.0299 116.0393 62.4638 28.1259 175.8065 114 A 4.0965 8.0272 122.5956 55.0495 17.7712 179.6698 115 K 3.8449 7.8476 116.8281 59.7155 32.1628 179.5229 116 L 3.9817 7.7193 118.8304 57.8515 41.4716 179.6795 117 I 3.7547 8.1596 120.0712 64.3553 37.0518 178.6380 118 I 3.7656 8.1750 120.8425 64.7013 36.8369 178.6892 119 Q 4.0827 8.2029 117.1246 58.4838 28.5733 178.0754 120 A 4.2312 7.9943 120.5127 52.8385 18.7326 178.3813 121 G 3.8769 8.0248 106.0061 45.1371 0.0000 173.2193 122 I 4.1731 7.4292 122.7559 62.0346 37.1365 177.0077 123 K 4.3931 9.1380 129.4566 56.0661 33.6575 173.8158 124 E 4.9782 7.8073 118.9292 55.2389 33.3526 173.7400 125 V 4.6120 9.0408 127.0909 61.1333 34.2601 174.0057 126 I 4.8401 8.8229 129.7241 59.5813 39.0940 174.6491 127 F 6.0630 8.3812 122.3575 54.8796 40.5196 175.9238 128 M 4.2970 9.3190 121.1187 58.1663 32.7114 175.6707 129 S 5.0280 8.7834 114.0226 56.0259 65.4198 173.1291 130 D 5.0904 8.3962 125.2352 53.7439 41.4989 176.7405 131 K 4.1546 7.8479 117.3587 58.4049 33.1471 176.9025 132 Y 4.8819 7.3659 117.8333 57.8963 38.7425 177.0453 133 H 3.8878 8.0567 121.5383 59.6662 29.7391 175.9682 134 D 4.5625 8.0376 115.3428 55.2026 41.2809 177.2889 135 S 4.3571 7.8592 115.6511 58.2057 64.8843 174.9191 136 D 4.3162 8.4736 122.5420 57.3601 40.5806 178.8859 137 E 3.8586 8.0537 118.4154 59.5269 29.5908 179.1879 138 A 3.9999 7.8054 120.2385 55.2707 18.3592 179.9187 139 T 3.6339 7.7998 114.1989 66.6386 68.4859 176.8292 140 A 3.9081 8.1822 122.7424 54.9385 18.2679 179.4713 141 A 3.4790 7.9704 119.2223 55.2916 18.4863 180.0227 142 R 3.6258 7.8788 116.5505 59.1804 30.0319 178.9738 143 L 3.9636 7.8861 119.9846 58.2409 42.0981 179.1080 144 L 3.9479 7.9211 118.8817 57.8802 41.5525 179.5786 145 F 4.6792 8.2260 118.0170 60.6322 38.5438 177.4886 146 N 4.5214 9.1297 116.5299 56.7883 38.2030 177.3298 147 M 3.9801 8.2053 118.5672 58.1150 32.1903 178.0403 148 A 4.4669 8.1617 118.4529 51.7963 19.4088 177.5551 149 G 3.7567 7.7325 104.8158 46.1801 0.0000 173.4550 150 V 4.1595 7.7742 119.9815 61.8847 32.4922 175.6338 151 T 4.2878 8.7047 125.6586 63.0732 69.7405 173.5769 152 F 5.5383 8.1023 120.6680 55.0495 40.6971 174.3580 153 R 4.6274 9.2607 122.9699 53.9818 33.0872 174.0754 154 K 3.1793 8.5749 128.2361 55.9833 32.8124 175.8409 155 F 4.6939 8.8923 131.4465 57.7895 40.2501 175.0218 156 I 4.0725 7.6892 119.0885 57.9066 38.2032 173.2182 157 P 3.7900 0.0000 0.0000 61.9106 31.4196 176.2126 158 K 3.9480 7.5256 119.5177 59.0835 32.5450 177.0825 159 C 4.3767 7.5404 116.7423 57.9170 30.9282 174.1561 160 S 4.3279 8.5081 116.7601 60.1066 63.4178 174.4223 161 K 4.6541 7.5560 117.3725 54.9969 35.3626 175.2881 162 I 4.5511 8.0670 120.1214 59.4695 40.6667 174.9710 163 V 4.2260 8.2830 123.5844 60.9711 33.3285 174.6238 164 I 3.9739 8.1830 128.3908 60.0560 38.0695 174.6918 165 D 4.6308 8.2137 124.9866 52.1579 42.0286 176.2043 166 F 4.6555 8.3539 126.3342 60.3913 38.7407 176.4877 167 D 4.7062 8.2329 119.4449 54.9930 40.7239 178.1941 168 S 4.2436 7.7819 114.3684 60.3678 63.4129 174.1980 169 I 3.9640 7.1218 126.2803 61.1046 37.6538 174.9449 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 11 D 8.35 4.47 0.00 2.60 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 12 Y 7.53 4.15 0.00 3.03 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 13 L 9.11 4.08 0.00 1.60 1.56 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.36 4.46 0.00 2.26 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 2.08 2.24 0.00 15 W 8.51 4.31 0.00 3.40 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.46 0.00 2.55 2.50 0.00 3.72 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 17 E 8.37 4.21 0.00 2.28 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 2.47 2.69 0.00 18 Y 8.13 3.98 0.00 2.86 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 19 F 8.14 4.16 0.00 1.84 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 0.00 0.00 0.00 20 M 7.90 4.10 0.00 1.96 1.49 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.66 0.00 21 A 8.15 3.97 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 22 V 7.73 3.40 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 0.93 0.00 0.00 0.48 0.00 0.00 23 A 8.05 4.04 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 24 F 8.78 3.87 0.00 3.15 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.78 4.03 0.00 1.88 1.84 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.70 4.14 0.00 4.08 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 27 A 7.63 4.22 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 28 Q 7.64 4.13 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 29 R 7.40 3.83 0.00 0.67 0.84 0.00 3.10 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 30 S 7.21 4.33 0.00 3.95 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 31 K 8.60 4.18 0.00 1.83 1.86 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.45 7.81 32 D 7.73 4.39 0.00 2.64 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 33 P 0.00 4.49 0.00 2.23 2.17 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 34 N 8.49 4.56 0.00 2.91 2.93 0.00 0.00 6.73 7.57 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 35 S 8.35 4.66 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.51 4.64 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 37 V 9.19 4.45 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 0.93 0.00 0.00 0.92 0.00 0.00 38 G 8.54 4.86 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 39 A 8.76 5.35 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 40 C 9.44 5.12 0.00 2.97 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 41 I 9.04 4.88 1.84 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 1.08 0.44 0.91 0.00 0.00 42 V 8.74 4.69 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 0.38 0.00 0.00 -0.00 0.00 0.00 43 N 8.52 5.12 0.00 2.83 2.89 0.00 0.00 6.61 7.26 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 44 S 8.64 4.18 0.00 3.97 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 45 E 8.22 4.32 0.00 2.00 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 2.23 2.24 0.00 46 N 7.61 3.92 0.00 2.18 1.45 0.00 0.00 6.79 7.75 0.00 0.00 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 K 7.88 4.53 0.00 1.90 1.68 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.32 7.81 48 I 8.40 4.23 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.79 0.98 0.00 0.00 49 V 8.39 4.37 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 0.69 0.00 0.00 0.93 0.00 0.00 50 G 7.45 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 0.00 0.00 0.00 51 I 8.03 5.29 1.93 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 1.33 0.83 1.01 0.00 0.00 52 G 9.01 4.31 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 0.00 53 Y 7.79 5.73 0.00 2.92 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.98 4.83 0.00 2.81 2.89 0.00 0.00 5.88 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.98 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 56 M 8.68 4.80 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 57 P 0.00 4.37 0.00 2.18 1.98 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 58 N 8.57 4.37 0.00 2.70 2.79 0.00 0.00 7.10 7.65 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 59 G 9.12 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 0.00 0.00 0.00 60 C 8.23 4.97 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.14 4.19 0.00 4.01 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 D 8.02 4.67 0.00 2.63 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 63 D 7.91 4.82 0.00 2.77 2.43 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 64 V 8.21 4.55 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 0.84 0.00 0.00 0.92 0.00 0.00 65 L 8.06 4.67 0.00 1.22 1.38 0.44 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.51 0.00 2.19 2.12 0.00 3.87 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 1.99 2.00 0.00 *80 P 0.00 4.17 0.00 1.52 1.82 0.00 3.54 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 81 Y 7.43 4.73 0.00 2.98 2.93 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 82 V 7.77 4.08 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 0.73 0.00 0.00 1.03 0.00 0.00 83 C 9.29 4.74 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.70 4.85 0.00 3.06 3.36 0.00 5.67 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 85 A 8.94 4.08 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 86 E 8.09 3.88 0.00 2.08 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 2.39 2.42 0.00 87 L 7.86 3.91 0.00 1.68 1.83 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.15 4.23 0.00 2.64 2.65 0.00 0.00 6.96 7.64 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 89 A 7.83 4.21 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 90 I 7.61 3.82 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.02 0.90 0.00 0.00 91 M 8.05 4.13 0.00 1.95 2.09 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 2.61 2.85 0.00 92 N 8.19 4.63 0.00 2.78 2.85 0.00 0.00 6.82 8.27 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 93 K 7.35 3.98 0.00 1.70 2.02 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.17 7.81 *98 V 7.56 3.96 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 0.82 0.00 0.00 0.96 0.00 0.00 99 K 8.03 4.19 0.00 1.68 1.70 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.49 7.81 100 G 9.07 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 C 7.68 4.55 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.84 5.09 0.00 3.63 3.49 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 0.00 103 M 8.77 4.99 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 104 Y 9.26 4.87 0.00 2.97 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 0.00 105 V 8.99 4.97 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 0.71 0.00 0.00 1.11 0.00 0.00 106 A 8.88 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.69 5.27 0.00 1.67 1.56 1.12 0.87 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 0.00 108 F 9.02 3.87 0.00 2.80 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 0.00 109 P 0.00 4.76 0.00 2.02 2.00 0.00 2.20 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 110 C 8.34 4.53 0.00 3.14 3.10 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 0.00 111 N 8.46 4.22 0.00 2.83 3.15 0.00 0.00 5.96 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 0.00 112 E 8.00 3.89 0.00 1.95 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 2.34 2.28 0.00 113 C 8.03 4.19 0.00 2.97 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 0.00 114 A 8.03 4.10 0.62 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 0.00 115 K 7.85 3.84 0.00 2.01 1.85 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.53 7.81 116 L 7.72 3.98 0.00 1.90 1.71 0.99 1.31 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 0.00 117 I 8.16 3.75 2.28 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 1.52 1.41 0.88 0.00 0.00 118 I 8.17 3.77 2.05 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 1.72 1.07 0.96 0.00 0.00 119 Q 8.20 4.08 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 120 A 7.99 4.23 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 0.00 121 G 8.02 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 0.00 0.00 0.00 122 I 7.43 4.17 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.55 0.89 0.00 0.00 123 K 9.14 4.39 0.00 1.42 1.80 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 1.24 7.81 124 E 7.81 4.98 0.00 1.90 1.64 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 2.11 2.21 0.00 125 V 9.04 4.61 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.54 0.00 0.00 126 I 8.82 4.84 1.03 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.36 0.80 0.00 0.00 127 F 8.38 6.06 0.00 3.31 3.16 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 0.00 128 M 9.32 4.30 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.87 0.00 129 S 8.78 5.03 0.00 4.07 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 0.00 130 D 8.40 5.09 0.00 2.99 2.67 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 0.00 0.00 0.00 0.00 131 K 7.85 4.15 0.00 1.56 1.74 0.00 1.32 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.92 0.21 7.81 132 Y 7.37 4.88 0.00 3.03 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 0.00 133 H 8.06 3.89 0.00 3.35 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.04 4.56 0.00 2.73 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 0.00 135 S 7.86 4.36 0.00 4.18 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 0.00 136 D 8.47 4.32 0.00 2.67 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 0.00 137 E 8.05 3.86 0.00 2.00 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 2.34 2.39 0.00 138 A 7.81 4.00 1.19 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 0.00 139 T 7.80 3.63 4.31 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 1.15 0.00 0.00 140 A 8.18 3.91 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 0.00 141 A 7.97 3.48 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 0.00 142 R 7.88 3.63 0.00 1.89 2.00 0.00 3.19 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.31 0.00 143 L 7.89 3.96 0.00 1.90 1.83 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.92 3.95 0.00 1.54 1.56 0.80 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.23 4.68 0.00 3.37 3.49 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 0.00 146 N 9.13 4.52 0.00 3.05 2.98 0.00 0.00 7.02 7.53 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 0.00 147 M 8.21 3.98 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 148 A 8.16 4.47 1.45 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 0.00 0.00 149 G 7.73 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 0.00 150 V 7.77 4.16 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 0.25 0.00 0.00 1.04 0.00 0.00 151 T 8.70 4.29 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 152 F 8.10 5.54 0.00 3.41 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 0.00 153 R 9.26 4.63 0.00 1.83 1.72 0.00 3.12 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 154 K 8.57 3.18 0.00 1.71 1.63 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.42 7.81 155 F 8.89 4.69 0.00 2.92 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 0.00 156 I 7.69 4.07 1.70 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.81 0.00 0.00 157 P 0.00 3.79 0.00 2.31 1.89 0.00 3.50 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 158 K 7.53 3.95 0.00 1.72 1.73 0.00 1.51 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.35 7.81 159 C 7.54 4.38 0.00 3.04 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 0.00 160 S 8.51 4.33 0.00 3.95 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 0.00 161 K 7.56 4.65 0.00 1.76 1.72 0.00 1.37 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.47 7.81 162 I 8.07 4.55 1.83 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 1.27 0.63 0.89 0.00 0.00 163 V 8.28 4.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.90 0.00 0.00 164 I 8.18 3.97 1.58 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.88 0.57 0.00 0.00 165 D 8.21 4.63 0.00 2.56 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 0.00 166 F 8.35 4.66 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.23 4.71 0.00 2.85 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 0.00 168 S 7.78 4.24 0.00 4.03 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 0.00 169 I 7.12 3.96 1.92 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 1.18 0.73 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.