NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 T 4.1987 8.1749 117.3751 62.9402 70.6163 172.7431 13 N 4.0376 8.2850 118.5107 51.4612 38.1367 172.8746 14 L 4.4448 9.0855 125.0801 55.8952 42.3753 176.0956 15 L 4.7126 8.3922 120.0854 53.3124 43.4815 176.2197 16 Y 4.3691 8.5049 122.8931 58.2490 39.4837 175.0235 17 T 3.8205 6.8872 117.5926 60.8884 70.0958 173.5361 18 R 3.8769 8.0669 125.8115 57.1932 30.1914 176.1265 19 N 4.3391 7.5305 117.5366 53.6054 38.5289 174.6532 20 D 4.6718 8.4114 128.6680 53.4648 39.6602 176.4669 21 V 4.0288 7.1954 118.5314 62.3640 32.7550 175.5217 22 S 4.1138 8.6470 120.4703 59.1801 62.5915 174.9848 23 D 4.5291 8.8883 122.9872 56.0518 40.4477 177.8080 24 S 4.2249 7.6705 113.8005 60.1133 63.5184 175.2992 25 E 3.9203 8.1430 121.9655 59.2034 29.2995 178.4898 26 K 3.8697 8.8356 119.2388 59.5392 32.1965 179.0791 27 K 3.8801 7.7887 117.7210 59.5635 32.1060 179.1266 28 A 3.9591 8.2718 121.0322 55.5820 18.2797 179.7247 29 T 3.7408 8.2997 114.2624 66.9334 68.5916 176.8532 30 V 3.5599 8.1569 120.3821 66.2762 31.2159 177.9647 31 E 3.9794 8.0791 117.7251 59.0367 29.2287 178.8768 32 L 3.9443 7.7572 120.3542 58.0610 42.1371 179.0775 33 L 3.9328 8.1887 119.1244 58.0706 41.6995 179.1846 34 N 4.4224 8.1059 116.2282 56.1992 38.3453 177.4851 35 R 3.8254 7.7240 120.3448 59.5343 30.1983 178.3893 36 Q 4.0744 7.7434 117.8681 58.9522 28.7271 178.9354 37 V 3.5970 8.0586 119.5338 66.2677 31.6026 177.9794 38 I 3.7107 7.6685 119.1514 64.5230 36.9695 178.2307 39 Q 3.9849 8.1703 120.2002 59.2178 28.8400 178.3485 40 F 3.8593 9.3561 119.5615 60.5578 39.0216 177.5282 41 I 3.7263 8.3178 119.9121 64.6743 36.8517 177.9874 42 D 4.3047 8.0520 118.3599 57.2380 40.9937 177.9599 43 L 3.7951 7.9974 121.1826 57.8921 42.0398 179.2002 44 S 4.0307 8.3158 114.6588 61.4290 63.1309 176.3351 45 L 3.8974 7.8959 122.9669 57.4086 41.2870 179.6608 46 I 3.4574 7.9289 119.8052 64.6885 36.9703 178.4138 47 T 3.7919 7.9692 116.7330 66.7969 68.1644 176.7444 48 K 3.2821 7.6070 119.9298 58.8196 31.8987 179.0884 49 Q 4.0991 7.5006 119.4560 59.2020 29.0465 178.2552 50 A 3.8089 7.8555 121.8371 55.4431 18.2404 178.6822 51 H 3.9276 7.9206 115.5577 59.5730 29.8452 176.9224 52 W 4.6365 8.1933 119.2520 59.4223 29.1666 177.5276 53 N 4.9341 8.0896 114.6036 52.3929 38.4289 174.7533 54 M 4.9192 6.9427 117.4008 54.7166 33.3463 175.4819 55 R 4.3281 8.5583 116.7299 56.0259 34.7449 174.1031 56 G 4.0125 8.7332 105.0446 43.9459 0.0000 173.3101 57 A 4.0086 8.5515 122.3785 53.6258 18.5540 176.9664 58 N 4.1616 8.8986 118.2801 54.4935 37.8080 176.5668 59 F 4.1730 8.3046 117.8630 60.9293 39.6417 175.1936 60 I 2.9429 7.8796 117.3436 64.0264 37.7046 177.3000 61 A 3.8025 7.7979 120.7141 55.2308 18.1548 179.6706 62 V 3.2958 7.1976 115.3575 66.1366 31.3756 177.4538 63 H 3.8322 8.0561 117.2766 59.4198 29.8086 176.7260 64 E 3.8897 8.0430 120.1212 59.3666 29.2530 178.5720 65 M 3.5323 7.9451 118.6521 58.7412 32.1177 178.1597 66 L 3.3247 7.7064 119.0640 57.6773 41.8281 179.0470 67 D 4.1142 7.5789 117.9022 57.0779 41.1448 178.4811 68 G 3.5142 7.6093 105.7259 47.7073 0.0000 175.4821 69 F 3.8604 7.1860 119.8740 60.1638 38.8594 177.3887 70 R 3.8985 7.8776 118.3442 60.0506 29.8799 178.4452 71 T 3.8473 7.7999 114.6178 66.6282 68.4146 176.4877 72 A 4.0919 8.0206 122.0699 55.1303 18.4591 179.2933 73 L 4.2158 8.6628 117.9095 58.4992 41.7558 179.6987 74 I 3.7674 8.0501 119.3589 64.6995 37.0849 177.9434 75 C 4.0522 7.9493 118.7879 62.8352 31.4297 175.1740 76 H 4.0918 8.2820 117.6516 58.8756 28.2886 177.0691 77 L 3.6675 8.3529 122.1104 58.5317 41.8224 178.9677 78 A 3.9583 8.3952 120.5690 55.5129 18.2889 179.6903 79 T 3.7950 7.9153 114.1893 66.9144 68.4635 176.8682 80 M 3.9072 8.1302 120.3361 58.3953 32.1200 178.4364 81 A 3.9639 8.0923 121.0869 55.4965 18.4064 179.6097 82 E 3.9096 8.3427 116.9141 59.3879 29.5912 179.4570 83 R 3.8197 7.9669 118.6355 59.1900 30.1079 178.3406 84 A 3.9345 8.0463 120.5644 55.3779 18.4386 179.8571 85 V 3.8245 7.5814 117.7966 65.7247 31.3200 178.2574 86 Q 4.0530 8.0943 117.1614 58.3940 28.5750 177.6242 87 L 4.3681 7.4809 117.1961 54.6642 42.0737 177.6687 88 G 3.8933 8.2662 108.9225 45.0664 0.0000 174.3614 89 G 3.7739 7.7909 109.3519 44.1588 0.0000 172.2301 90 V 4.1453 8.0068 118.0492 60.5225 33.6486 175.6400 91 A 4.1927 8.6475 130.6118 51.9698 18.8463 176.2802 92 L 4.6682 9.6327 124.3476 53.2540 42.6720 176.8165 93 G 4.2290 8.3682 113.2444 44.5253 0.0000 172.4454 94 T 4.3261 7.8448 110.0872 60.6074 71.3751 174.7381 95 T 3.8882 8.4724 119.2378 67.0523 68.5124 176.4292 96 Q 3.9813 8.1256 118.7114 59.5416 28.3692 178.8856 97 V 3.5784 7.3841 119.6007 65.6166 31.4918 177.8835 98 I 3.6895 7.9242 119.5602 64.5196 36.8275 177.8736 99 N 4.2406 8.6917 117.3859 56.6409 38.7379 176.2457 100 S 4.4278 7.9592 113.5037 59.4489 62.8175 174.5608 101 K 4.4859 7.8425 117.6815 55.8368 32.8542 176.1274 102 T 3.9100 8.0595 115.5508 61.9130 67.5183 171.7480 103 P 4.7424 0.0000 0.0000 62.4548 31.7232 174.9243 104 L 4.7124 7.1944 118.4229 52.6543 43.5677 176.5294 105 K 4.0605 8.5236 123.8924 56.1636 32.8092 176.3333 106 S 4.2648 8.4253 118.7449 58.4432 62.9160 173.1120 107 Y 4.1800 8.5170 127.8591 56.0682 39.5918 172.2147 108 P 4.2833 0.0000 0.0000 63.2766 31.1973 176.0351 109 L 4.8729 8.4399 124.3715 54.7920 41.5542 177.9328 110 D 4.7830 7.8706 114.0627 53.3932 42.4495 175.3104 111 I 4.2404 7.5287 113.5374 61.1905 39.1712 174.9306 112 H 5.0418 8.4910 114.0536 55.5808 33.2607 173.8189 113 N 4.7104 8.2131 116.5387 53.9069 40.3604 174.9273 114 V 3.6632 8.3384 126.6161 66.6458 31.7183 178.2923 115 Q 4.0053 8.3551 117.4008 59.4523 28.5151 179.2411 116 D 4.3762 8.1975 119.0586 57.7451 40.8640 178.4827 117 H 4.4878 7.9913 117.5020 58.0764 28.7323 177.5535 118 L 4.0081 8.2890 121.1921 57.9169 41.5216 179.8005 119 K 4.1017 8.0213 117.9136 59.5943 31.9414 179.1460 120 E 4.0019 7.9986 118.4183 59.4555 29.4093 179.5257 121 L 4.1941 8.8919 118.9065 57.9145 41.6996 179.0719 122 A 4.0527 8.7739 121.7360 55.7066 18.1466 179.2887 123 D 4.3430 8.1706 116.7995 57.7663 40.9834 179.1395 124 R 3.9653 8.0085 118.1405 59.7130 30.0290 178.8652 125 Y 3.7410 8.8314 116.6179 60.8305 37.7633 178.2936 126 A 3.9910 8.3419 121.9290 55.1850 18.4856 179.5988 127 I 3.6206 7.9604 118.3334 64.6020 37.2154 178.8430 128 V 3.4771 7.6556 118.4988 65.8315 31.3563 177.5848 129 A 3.9054 8.6460 121.6234 55.5174 18.1786 179.3751 130 N 4.2654 8.3752 114.8569 56.3856 38.5450 177.1198 131 D 4.2850 8.2199 119.5878 57.4696 41.2530 178.6937 132 V 3.7906 8.2673 120.0238 64.9036 31.0042 178.1882 133 R 3.8653 7.8182 118.6546 59.0234 30.0956 178.4863 134 K 4.0808 7.8821 117.8362 59.4565 31.8642 178.9517 135 A 4.1613 8.1573 121.1325 55.5210 17.8416 179.5889 136 I 3.8627 7.3275 117.6180 64.4527 37.3115 178.0481 137 G 3.6633 8.3703 109.2350 48.6882 0.0000 175.1571 138 E 4.1015 7.5332 115.2334 56.4745 29.4738 176.3538 139 A 4.3936 7.4750 124.0106 51.2312 18.8855 177.7030 140 K 4.0587 8.5524 123.1599 59.3144 32.8208 177.9576 141 D 4.4141 7.9520 118.8651 53.7710 41.8301 175.6705 142 D 4.3815 8.8367 127.6635 57.9133 40.9169 178.5322 143 D 4.3632 8.2179 118.2130 58.0838 40.8931 179.1399 144 T 3.8208 7.8733 115.6349 66.5114 68.3823 176.5786 145 A 3.9329 8.1098 122.8792 55.0988 18.4292 179.0983 146 D 4.2502 8.2278 116.6418 57.5670 41.4075 178.4342 147 I 3.6725 7.8348 120.2467 64.5960 37.1342 178.4764 148 L 3.9849 7.8924 119.6151 57.8192 41.3716 179.7401 149 T 3.8136 7.9265 115.7087 66.4870 67.9359 176.5380 150 A 3.9547 8.0195 122.4957 55.0614 18.3016 179.6316 151 A 3.3461 7.8047 118.9371 55.0399 18.3804 179.7322 152 S 3.9345 8.5075 112.0119 61.5879 62.2978 176.0700 153 R 3.7573 8.3957 121.5974 59.7309 29.6175 178.1807 154 D 3.8554 7.4212 117.5856 57.0848 40.8056 178.4921 155 L 3.6196 7.6089 119.6730 58.0102 41.6104 179.4942 156 D 4.3041 8.1546 118.8464 57.0941 40.6252 178.7783 157 K 4.0886 7.4539 120.1412 59.3984 32.1941 178.8587 158 F 3.7264 8.0412 118.4605 60.3143 38.7726 177.0168 159 L 3.8825 8.1596 120.2537 58.1400 41.7918 178.5840 160 W 4.4992 8.2720 127.8911 60.9012 30.3688 177.8722 161 F 4.0241 8.1897 116.1655 60.5017 38.7709 177.4118 162 I 3.8706 8.4449 119.6551 64.4738 36.8661 178.1950 163 E 4.0049 8.7497 119.4668 59.7596 29.2291 179.6860 164 S 4.1887 8.5285 113.2124 60.7882 62.9019 175.4977 165 N 4.7184 7.7081 117.2159 52.5909 38.9057 175.0366 166 I 4.0834 7.3686 123.0231 60.5655 37.5856 175.7937 167 E 4.1674 8.6902 122.7633 56.5220 29.5930 176.4547 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 12 T 8.17 4.20 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 1.21 0.00 0.00 13 N 8.28 4.04 0.00 2.79 2.85 0.00 0.00 6.96 6.97 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 14 L 9.09 4.44 0.00 1.79 1.69 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.39 4.71 0.00 1.64 1.64 0.94 0.70 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 16 Y 8.50 4.37 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 17 T 6.89 3.82 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 1.06 0.00 0.00 18 R 8.07 3.88 0.00 1.76 1.93 0.00 3.25 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.50 0.00 19 N 7.53 4.34 0.00 2.62 2.67 0.00 0.00 7.15 8.32 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 20 D 8.41 4.67 0.00 2.83 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 21 V 7.20 4.03 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 0.79 0.00 0.00 0.99 0.00 0.00 22 S 8.65 4.11 0.00 4.04 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 23 D 8.89 4.53 0.00 2.79 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 24 S 7.67 4.22 0.00 3.87 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 25 E 8.14 3.92 0.00 2.12 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 2.38 0.00 26 K 8.84 3.87 0.00 1.79 1.91 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.78 7.81 27 K 7.79 3.88 0.00 1.72 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 28 A 8.27 3.96 1.39 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 0.00 0.00 29 T 8.30 3.74 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 1.18 0.00 0.00 30 V 8.16 3.56 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 1.02 0.00 0.00 0.99 0.00 0.00 31 E 8.08 3.98 0.00 2.11 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 0.00 2.55 2.45 0.00 32 L 7.76 3.94 0.00 1.76 1.81 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.19 3.93 0.00 1.66 1.63 0.93 0.53 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 34 N 8.11 4.42 0.00 2.88 2.88 0.00 0.00 6.76 7.82 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 35 R 7.72 3.83 0.00 2.12 1.93 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 36 Q 7.74 4.07 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 37 V 8.06 3.60 2.21 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 1.02 0.00 0.00 0.85 0.00 0.00 38 I 7.67 3.71 2.08 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 1.42 1.16 0.93 0.00 0.00 39 Q 8.17 3.98 0.00 2.32 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 40 F 9.36 3.86 0.00 3.25 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 41 I 8.32 3.73 2.04 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 1.45 1.18 0.93 0.00 0.00 42 D 8.05 4.30 0.00 2.93 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 43 L 8.00 3.80 0.00 1.59 1.43 0.51 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.32 4.03 0.00 4.04 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 45 L 7.90 3.90 0.00 1.89 1.76 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.93 3.46 1.93 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 1.49 0.80 0.58 0.00 0.00 47 T 7.97 3.79 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 1.23 0.00 0.00 48 K 7.61 3.28 0.00 1.37 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.96 1.08 7.81 49 Q 7.50 4.10 0.00 2.16 2.07 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 2.51 2.58 0.00 50 A 7.86 3.81 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 51 H 7.92 3.93 0.00 2.85 3.19 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.19 4.64 0.00 3.63 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 53 N 8.09 4.93 0.00 2.83 2.77 0.00 0.00 6.75 8.19 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 54 M 6.94 4.92 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.91 0.00 55 R 8.56 4.33 0.00 1.90 1.73 0.00 3.17 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.51 0.00 56 G 8.73 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 0.00 0.00 0.00 57 A 8.55 4.01 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 58 N 8.90 4.16 0.00 2.93 2.81 0.00 0.00 6.81 7.71 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 59 F 8.30 4.17 0.00 3.17 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 60 I 7.88 2.94 1.94 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 1.55 1.17 0.88 0.00 0.00 61 A 7.80 3.80 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 62 V 7.20 3.30 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 0.90 0.00 0.00 0.85 0.00 0.00 63 H 8.06 3.83 0.00 2.09 2.83 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.04 3.89 0.00 1.87 1.82 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 2.24 2.34 0.00 65 M 7.95 3.53 0.00 1.77 1.83 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.45 0.00 66 L 7.71 3.32 0.00 1.74 1.43 0.72 0.83 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 67 D 7.58 4.11 0.00 2.51 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 68 G 7.61 3.51 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 0.00 69 F 7.19 3.86 0.00 2.95 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 70 R 7.88 3.90 0.00 1.75 1.95 0.00 2.92 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 71 T 7.80 3.85 4.41 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 1.23 0.00 0.00 72 A 8.02 4.09 1.75 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 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.66 4.22 0.00 2.13 1.86 1.13 0.82 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 74 I 8.05 3.77 2.05 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 1.44 0.86 0.93 0.00 0.00 75 C 7.95 4.05 0.00 3.03 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 76 H 8.28 4.09 0.00 3.49 3.22 0.00 5.70 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 77 L 8.35 3.67 0.00 1.86 1.99 1.03 nan 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 78 A 8.40 3.96 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.92 3.79 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 1.18 0.00 0.00 80 M 8.13 3.91 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 81 A 8.09 3.96 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 82 E 8.34 3.91 0.00 2.23 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 2.31 2.37 0.00 83 R 7.97 3.82 0.00 1.98 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 84 A 8.05 3.93 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 85 V 7.58 3.82 2.17 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 1.15 0.00 0.00 0.95 0.00 0.00 86 Q 8.09 4.05 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 87 L 7.48 4.37 0.00 1.76 1.67 0.89 1.01 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 88 G 8.27 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 0.00 0.00 0.00 89 G 7.79 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.01 4.15 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 0.93 0.00 0.00 91 A 8.65 4.19 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 92 L 9.63 4.67 0.00 1.64 1.61 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.37 4.23 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 0.00 94 T 7.84 4.33 4.25 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 1.22 0.00 0.00 95 T 8.47 3.89 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 1.24 0.00 0.00 96 Q 8.13 3.98 0.00 2.25 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 97 V 7.38 3.58 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.94 0.00 0.00 98 I 7.92 3.69 2.03 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 1.68 0.73 0.98 0.00 0.00 99 N 8.69 4.24 0.00 2.69 3.00 0.00 0.00 7.29 8.03 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 0.00 100 S 7.96 4.43 0.00 3.91 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 0.00 101 K 7.84 4.49 0.00 1.84 1.79 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.34 7.81 102 T 8.06 3.91 4.43 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 1.24 0.00 0.00 103 P 0.00 4.74 0.00 2.22 2.12 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 104 L 7.19 4.71 0.00 1.83 1.64 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.52 4.06 0.00 1.74 1.75 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.45 7.81 106 S 8.43 4.26 0.00 3.91 3.79 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 0.00 107 Y 8.52 4.18 0.00 3.04 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.28 0.00 1.83 1.85 0.00 2.20 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 109 L 8.44 4.87 0.00 1.67 1.75 1.06 1.10 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 0.00 110 D 7.87 4.78 0.00 2.74 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 0.00 111 I 7.53 4.24 1.77 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.16 0.79 0.00 0.00 112 H 8.49 5.04 0.00 3.20 3.35 0.00 6.11 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.21 4.71 0.00 2.78 2.89 0.00 0.00 6.80 7.71 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 0.00 114 V 8.34 3.66 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 1.11 0.00 0.00 1.17 0.00 0.00 115 Q 8.36 4.01 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 116 D 8.20 4.38 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.99 4.49 0.00 3.43 3.45 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 0.00 118 L 8.29 4.01 0.00 1.92 1.76 1.02 1.09 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 0.00 119 K 8.02 4.10 0.00 2.01 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 120 E 8.00 4.00 0.00 2.24 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 2.44 2.19 0.00 121 L 8.89 4.19 0.00 1.91 1.76 0.93 1.00 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 0.00 122 A 8.77 4.05 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 0.00 123 D 8.17 4.34 0.00 3.00 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 0.00 124 R 8.01 3.97 0.00 1.86 2.04 0.00 3.48 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 125 Y 8.83 3.74 0.00 3.24 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 0.00 126 A 8.34 3.99 1.47 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 0.00 127 I 7.96 3.62 2.03 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 1.42 0.67 0.90 0.00 0.00 128 V 7.66 3.48 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 0.56 0.00 0.00 0.77 0.00 0.00 129 A 8.65 3.91 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 0.00 130 N 8.38 4.27 0.00 2.78 2.88 0.00 0.00 6.75 8.94 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 0.00 131 D 8.22 4.29 0.00 2.85 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 0.00 132 V 8.27 3.79 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 0.89 0.00 0.00 0.99 0.00 0.00 133 R 7.82 3.87 0.00 1.94 2.15 0.00 3.23 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 134 K 7.88 4.08 0.00 2.02 1.83 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.62 7.81 135 A 8.16 4.16 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 0.00 136 I 7.33 3.86 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 1.42 0.85 0.89 0.00 0.00 137 G 8.37 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 7.53 4.10 0.00 2.17 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 2.46 2.24 0.00 139 A 7.47 4.39 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 0.00 140 K 8.55 4.06 0.00 1.82 2.01 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.47 7.81 141 D 7.95 4.41 0.00 2.72 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 0.00 142 D 8.84 4.38 0.00 2.70 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 0.00 143 D 8.22 4.36 0.00 2.85 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 0.00 144 T 7.87 3.82 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 145 A 8.11 3.93 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 0.00 146 D 8.23 4.25 0.00 2.70 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 0.00 147 I 7.83 3.67 2.00 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 1.49 1.14 0.83 0.00 0.00 148 L 7.89 3.98 0.00 1.82 1.67 0.88 0.67 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 0.00 149 T 7.93 3.81 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 1.18 0.00 0.00 150 A 8.02 3.95 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 0.00 151 A 7.80 3.35 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 0.00 152 S 8.51 3.93 0.00 3.86 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 0.00 153 R 8.40 3.76 0.00 2.03 1.96 0.00 3.09 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 154 D 7.42 3.86 0.00 2.59 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 0.00 0.00 0.00 155 L 7.61 3.62 0.00 1.69 1.60 0.62 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.15 4.30 0.00 2.60 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 0.00 157 K 7.45 4.09 0.00 1.71 1.73 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.58 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.96 1.45 7.81 158 F 8.04 3.73 0.00 2.86 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 0.00 0.00 0.00 159 L 8.16 3.88 0.00 1.91 1.94 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 160 W 8.27 4.50 0.00 3.44 3.56 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 0.00 161 F 8.19 4.02 0.00 3.15 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 0.00 162 I 8.44 3.87 1.97 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.29 0.90 0.00 0.00 163 E 8.75 4.00 0.00 2.31 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 0.00 2.39 2.54 0.00 164 S 8.53 4.19 0.00 3.53 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 0.00 165 N 7.71 4.72 0.00 2.81 2.79 0.00 0.00 7.01 6.77 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 0.00 166 I 7.37 4.08 2.00 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 1.37 0.67 1.02 0.00 0.00 167 E 8.69 4.17 0.00 2.11 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 2.43 2.25 0.00