NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3437 8.3049 118.1931 54.8170 32.9478 175.3481 2 L 3.4192 8.1584 117.2634 54.3379 38.4989 172.4756 3 T 3.9436 8.2721 112.0765 63.7802 70.1649 174.8004 4 D 4.7460 7.7513 120.9236 50.9078 43.7954 173.5692 5 P 4.2988 0.0000 0.0000 66.4466 31.5020 178.1717 6 I 3.3555 7.9316 115.7011 64.7231 37.0753 177.3523 7 A 3.9342 9.7149 122.1729 55.6706 18.2280 179.1423 8 D 4.1800 7.7212 114.6461 57.9279 41.2256 177.8365 9 M 3.9156 8.2391 118.7984 58.6406 32.1006 177.7032 10 L 3.8575 8.2774 119.1311 58.3701 41.9285 179.9067 11 T 3.7477 8.3014 115.3205 66.8174 68.3835 176.5482 12 R 3.8545 9.4470 120.4095 59.7482 29.7309 178.2271 13 I 3.8250 7.9898 120.0857 63.9204 37.2988 177.8110 14 R 3.7371 8.1837 119.4957 60.0217 29.5850 178.3235 15 N 4.2989 8.1144 114.9406 56.1369 38.7590 177.0519 16 A 4.1561 7.6947 121.1393 55.0265 18.3452 179.8068 17 T 4.5598 8.1256 110.0418 64.8773 68.6805 176.8729 18 R 3.0558 7.5691 119.7747 58.1349 30.1295 178.2567 19 V 3.8502 7.1443 109.6453 59.7660 33.6309 174.6989 20 Y 3.6548 8.2113 117.5332 58.3636 34.7910 168.6569 21 K 4.4583 7.6384 120.4176 53.9269 34.2072 174.7156 22 E 3.4980 7.9920 122.4104 59.4055 30.1484 177.9744 23 S 5.0869 7.5205 113.7187 57.4068 67.7000 173.2447 24 T 4.5168 8.2451 115.3615 62.7422 72.6288 173.9961 25 D 5.1152 8.7165 126.3645 54.0036 42.4813 176.0755 26 V 4.3661 8.3340 111.2983 59.4014 36.0645 171.7649 27 P 4.0260 0.0000 0.0000 62.9591 32.0715 175.3431 28 A 4.4869 8.1496 124.0731 51.1231 20.1743 177.4444 29 S 4.3676 8.4544 115.8707 56.0308 65.6720 174.2003 30 R 3.8939 9.1534 128.4789 60.0348 29.7332 177.9308 31 F 4.4395 8.3327 119.3726 61.2318 39.2299 177.0236 32 K 3.7945 8.3631 118.7239 59.1713 31.7521 179.2325 33 E 3.4256 7.8386 118.2577 59.5362 29.3969 178.9725 34 E 3.9403 8.1814 117.4152 59.3598 29.6810 179.5658 35 I 3.8627 6.9743 118.9339 63.9034 37.5335 177.7824 36 L 3.8754 7.2625 119.4619 58.0861 41.4772 179.4603 37 R 4.2287 8.4859 118.6082 59.8796 29.5332 177.8872 38 I 4.1721 8.1543 117.5036 62.3884 37.3535 177.3426 39 L 4.2383 8.4583 120.4956 56.0374 41.7678 178.1996 40 A 4.7928 7.8108 121.4889 53.2770 19.5604 178.9321 41 R 3.9598 7.9346 115.8352 58.4894 30.2439 176.7798 42 E 4.3627 7.6480 114.9133 55.9634 30.0497 176.5236 43 G 3.7908 8.3128 107.0955 45.9871 0.0000 175.0357 44 F 4.6154 8.6577 121.5959 58.7864 39.6486 175.9160 45 I 4.9009 7.3456 112.2217 58.4651 40.2081 176.5006 46 K 3.9806 8.7897 122.2460 57.9271 32.2081 177.2676 47 G 4.4730 7.2303 106.1848 44.0150 0.0000 170.1986 48 Y 6.0300 7.5204 118.0441 54.3496 41.4187 174.2843 49 E 5.1019 8.6889 113.6124 55.7564 31.7278 176.3953 50 R 4.2158 9.1045 122.3139 57.1486 31.2285 176.0010 51 V 4.5910 8.4524 114.1919 60.2840 37.0617 173.6836 52 D 4.5230 8.5794 120.3213 53.6080 43.1058 175.3090 53 V 3.9105 8.3125 127.3882 61.7265 30.9780 174.5634 54 D 4.1962 8.6912 129.0661 55.4255 37.2323 174.7963 55 G 3.9848 8.3301 101.6771 45.9291 0.0000 172.6164 56 K 4.4241 7.4571 118.9065 53.1903 32.9137 172.8198 57 P 4.9382 0.0000 0.0000 63.4829 30.9999 175.3415 58 Y 4.8491 8.3469 126.4180 57.6780 41.3259 174.4513 59 L 4.8169 8.5697 119.7860 54.0353 45.1207 174.8904 60 R 3.7656 8.6963 123.0563 56.5759 31.2329 175.9196 61 V 4.4124 8.2673 125.8307 61.6844 33.2511 174.4876 62 Y 4.5799 9.5095 127.8353 57.0342 38.7668 175.0112 63 L 4.5466 8.4489 125.7845 54.3162 42.6644 176.5714 64 K 4.6144 8.1212 125.0377 55.5013 34.3266 175.2158 65 Y 4.8501 8.6268 124.4763 56.3615 41.1859 173.8444 66 G 4.5504 8.1094 108.6628 44.5594 0.0000 171.4140 67 P 4.7220 0.0000 0.0000 61.5972 32.3222 176.0459 68 R 3.8368 8.4851 122.7801 57.0766 30.7066 175.5358 69 R 4.7103 8.0436 123.1910 54.2095 33.7341 179.5837 70 Q 4.5335 8.1694 118.4369 55.5921 28.8230 182.3001 71 G 4.2609 8.8576 114.8716 44.6498 0.0000 171.3398 72 P 4.1867 0.0000 0.0000 63.4634 32.7520 175.0748 73 D 4.3361 8.6790 117.2037 55.1617 39.3550 172.6191 74 P 4.5115 0.0000 0.0000 63.4833 31.8347 176.7584 75 R 4.2522 7.7498 118.8572 56.2880 30.2857 174.9444 76 P 4.3636 0.0000 0.0000 62.2943 32.5340 175.6791 77 E 4.2877 8.7995 122.9208 56.8243 31.1445 174.8908 78 Q 4.8820 8.2323 119.9337 53.8866 31.1909 176.5399 79 V 3.7843 7.7872 122.0991 65.0744 32.4195 176.1302 80 I 4.2259 7.5016 121.0063 59.8929 37.9210 174.7207 81 H 4.3254 8.4375 123.4850 57.4266 29.5347 175.5213 82 H 4.2307 6.8297 115.5926 54.9972 33.0388 172.5650 83 I 4.6548 7.9808 125.2615 59.3035 40.7612 173.8932 84 R 4.5478 8.4083 129.9700 54.1513 33.2369 174.2613 85 R 4.0892 8.5789 126.8834 57.9380 30.4771 174.3962 86 I 3.6931 8.6295 130.0405 62.7669 36.8888 177.7390 87 S 3.9708 5.8100 125.0690 59.8684 63.4338 173.6796 88 K 4.7516 8.5887 126.5726 53.6040 34.6519 175.8036 89 P 4.2835 0.0000 0.0000 66.0397 31.1005 178.1689 90 G 3.5097 8.0664 107.0194 47.6224 0.0000 173.4203 91 R 4.3861 7.5565 124.9937 53.4663 31.0588 175.5082 92 R 4.1398 8.2488 124.5356 55.8455 31.0892 176.2851 93 V 4.1435 8.4267 120.5328 61.2909 34.3842 173.9540 94 Y 5.2658 8.4276 124.8077 56.5167 40.3549 175.2515 95 V 4.1323 8.7874 118.6206 60.2039 33.6971 178.1452 96 G 4.0434 8.1919 113.3506 45.4386 0.0000 173.2050 97 V 3.9545 8.4072 118.0388 64.1544 32.3023 177.6419 98 K 4.0841 8.0497 118.9845 58.7508 32.0923 177.5965 99 E 4.3886 7.8168 118.8764 55.0232 27.8599 175.2979 100 I 4.7431 7.3030 120.7989 58.5199 41.6554 173.6571 101 P 4.5451 0.0000 0.0000 62.5796 32.0391 177.1308 102 R 4.4575 8.0087 120.5877 53.2255 30.0936 173.9600 103 V 3.2941 8.0071 118.9628 64.3925 31.9324 175.3064 104 R 3.2458 9.5355 124.1364 56.8392 29.1699 175.2387 105 R 3.6773 7.8078 111.7384 57.0723 26.7546 177.2291 106 G 4.0466 8.0645 107.2844 45.9085 0.0000 174.7149 107 L 4.3752 7.4128 116.6070 55.7646 41.5278 176.6611 108 G 4.5192 7.7117 105.4897 44.7862 0.0000 172.3010 109 I 4.6089 8.6746 121.5981 59.9271 40.7671 175.2043 110 A 4.8851 8.4453 124.2683 49.8532 19.0706 175.5186 111 I 3.8701 7.8680 122.2030 61.2484 39.4032 174.9813 112 L 4.4285 7.9931 119.4219 54.3761 46.1964 173.4052 113 S 4.6387 8.6636 123.3762 58.8523 63.4091 172.8524 114 T 5.0636 8.6324 117.5461 59.2042 72.1728 175.1738 115 S 4.3380 8.7458 113.6278 59.6695 62.6702 174.4033 116 K 4.5283 8.1513 120.3559 56.5082 33.3691 176.2145 117 G 3.8378 8.4874 104.5562 44.7482 0.0000 174.1491 118 V 4.4407 7.8556 118.5282 61.8121 30.2301 175.7689 119 L 4.6981 8.2929 126.9722 53.2155 43.6821 175.8073 120 T 4.7052 8.4120 108.5401 61.8451 71.0451 173.9176 121 D 3.9987 7.8168 117.5268 55.8686 40.0778 179.3297 122 R 3.9232 7.8193 118.7701 57.9110 30.4887 178.6217 123 E 4.0231 8.1616 117.2553 59.9257 29.6449 179.7838 124 A 4.1355 9.7290 120.3041 54.9562 18.1697 179.6806 125 R 3.8149 8.0827 117.0209 59.9824 30.2693 177.9565 126 K 3.8642 9.1057 118.6406 59.5005 32.1240 177.9085 127 L 4.0681 8.6917 121.8043 55.7713 43.0069 177.5575 128 G 3.7186 9.8535 104.9801 45.0554 0.0000 172.4367 129 V 4.3854 7.0945 108.8474 60.4426 36.0735 173.8313 130 G 4.2072 7.9484 110.2973 43.9011 0.0000 172.2813 131 G 3.9514 7.6515 102.7258 46.6720 0.0000 172.8646 132 E 5.7090 8.8660 119.4073 53.8586 28.2664 174.4295 133 L 3.7804 8.4769 125.2263 54.9760 43.0312 177.0476 134 I 4.0385 8.4520 128.1706 62.8138 37.6515 175.9874 135 C 5.1414 7.5826 113.8548 57.7124 32.7478 171.4755 136 E 5.0086 8.5162 117.0869 54.8506 32.6176 175.0924 137 V 4.8756 8.3954 119.5609 61.3522 35.7461 174.6265 138 W 4.8669 8.9096 124.1047 57.1401 28.1767 174.1894 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 1 M 8.30 4.34 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 2 L 8.16 3.42 0.00 1.84 1.69 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.27 3.94 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 1.20 0.00 0.00 4 D 7.75 4.75 0.00 2.63 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 0.00 0.00 0.00 5 P 0.00 4.30 0.00 2.21 2.05 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 6 I 7.93 3.36 2.17 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.44 0.87 0.00 0.00 7 A 9.71 3.93 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 8 D 7.72 4.18 0.00 2.93 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 9 M 8.24 3.92 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 10 L 8.28 3.86 0.00 1.60 1.63 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.30 3.75 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 1.17 0.00 0.00 12 R 9.45 3.85 0.00 1.97 2.04 0.00 3.15 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 13 I 7.99 3.82 2.05 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.83 0.00 0.00 14 R 8.18 3.74 0.00 1.75 2.02 0.00 3.03 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 15 N 8.11 4.30 0.00 2.70 2.82 0.00 0.00 7.02 6.89 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 16 A 7.69 4.16 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 17 T 8.13 4.56 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 1.22 0.00 0.00 18 R 7.57 3.06 0.00 1.95 1.91 0.00 3.08 0.00 0.00 3.44 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 19 V 7.14 3.85 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 0.74 0.00 0.00 0.99 0.00 0.00 20 Y 8.21 3.65 0.00 2.95 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.46 0.00 1.70 1.84 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.40 7.81 22 E 7.99 3.50 0.00 2.11 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 2.50 2.58 0.00 23 S 7.52 5.09 0.00 3.39 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 24 T 8.25 4.52 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 1.21 0.00 0.00 25 D 8.72 5.12 0.00 2.75 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 26 V 8.33 4.37 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 0.81 0.00 0.00 0.82 0.00 0.00 27 P 0.00 4.03 0.00 1.73 1.77 0.00 3.42 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 1.79 1.49 0.00 28 A 8.15 4.49 1.24 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 0.00 0.00 0.00 29 S 8.45 4.37 0.00 3.81 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 30 R 9.15 3.89 0.00 1.95 2.01 0.00 3.29 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 31 F 8.33 4.44 0.00 3.11 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 32 K 8.36 3.79 0.00 1.98 1.70 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.46 7.81 33 E 7.84 3.43 0.00 2.02 1.66 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 2.21 2.59 0.00 34 E 8.18 3.94 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 35 I 6.97 3.86 1.78 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.19 0.77 0.00 0.00 36 L 7.26 3.88 0.00 1.17 1.48 0.54 1.19 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 37 R 8.49 4.23 0.00 2.02 2.18 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 38 I 8.15 4.17 1.98 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 1.56 0.87 0.97 0.00 0.00 39 L 8.46 4.24 0.00 1.86 1.85 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.81 4.79 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 41 R 7.93 3.96 0.00 1.90 2.13 0.00 3.25 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 42 E 7.65 4.36 0.00 1.88 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 2.38 2.43 0.00 43 G 8.31 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 0.00 0.00 0.00 44 F 8.66 4.62 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.35 4.90 2.19 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.90 0.98 0.00 0.00 46 K 8.79 3.98 0.00 2.04 1.96 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.49 7.81 47 G 7.23 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.52 6.03 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.69 5.10 0.00 2.10 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 0.00 2.45 2.32 0.00 50 R 9.10 4.22 0.00 1.79 1.99 0.00 3.21 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 51 V 8.45 4.59 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 1.02 0.00 0.00 1.02 0.00 0.00 52 D 8.58 4.52 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 3.91 1.58 0.00 0.00 0.00 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 0.65 0.00 0.00 54 D 8.69 4.20 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.33 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 56 K 7.46 4.42 0.00 2.14 1.96 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.64 7.81 57 P 0.00 4.94 0.00 2.16 2.30 0.00 3.92 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.89 0.00 58 Y 8.35 4.85 0.00 2.89 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 59 L 8.57 4.82 0.00 1.58 1.60 0.76 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.70 3.77 0.00 1.75 1.38 0.00 3.19 0.00 0.00 3.04 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 61 V 8.27 4.41 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 0.98 0.00 0.00 0.97 0.00 0.00 62 Y 9.51 4.58 0.00 3.12 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 63 L 8.45 4.55 0.00 1.92 1.40 1.01 1.18 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 64 K 8.12 4.61 0.00 2.11 1.84 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.46 7.81 65 Y 8.63 4.85 0.00 3.06 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 66 G 8.11 4.55 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 0.00 0.00 0.00 67 P 0.00 4.72 0.00 2.08 2.06 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 68 R 8.49 3.84 0.00 1.79 1.89 0.00 3.17 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 69 R 8.04 4.71 0.00 1.85 1.84 0.00 3.31 0.00 0.00 3.53 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 70 Q 8.17 4.53 0.00 2.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 71 G 8.86 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 0.00 0.00 0.00 0.00 72 P 0.00 4.19 0.00 2.06 2.03 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 73 D 8.68 4.34 0.00 2.84 2.62 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 74 P 0.00 4.51 0.00 2.24 2.25 0.00 3.78 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 2.07 1.98 0.00 75 R 7.75 4.25 0.00 2.00 2.18 0.00 3.27 0.00 0.00 3.67 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 76 P 0.00 4.36 0.00 1.98 1.96 0.00 3.04 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.58 0.00 77 E 8.80 4.29 0.00 2.11 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 2.38 2.41 0.00 78 Q 8.23 4.88 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.66 0.00 79 V 7.79 3.78 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 0.92 0.00 0.00 80 I 7.50 4.23 1.68 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.69 0.61 0.00 0.00 81 H 8.44 4.33 0.00 2.61 2.92 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 6.83 4.23 0.00 2.46 1.44 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.98 4.65 1.58 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.88 0.71 0.00 0.00 84 R 8.41 4.55 0.00 1.86 1.75 0.00 3.19 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 85 R 8.58 4.09 0.00 1.83 1.81 0.00 3.48 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 86 I 8.63 3.69 2.01 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 1.13 0.94 0.89 0.00 0.00 87 S 5.81 3.97 0.00 3.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.59 4.75 0.00 1.72 1.64 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.64 7.81 89 P 0.00 4.28 0.00 2.16 2.20 0.00 3.75 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 1.98 1.97 0.00 90 G 8.07 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 91 R 7.56 4.39 0.00 1.84 1.75 0.00 3.04 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 92 R 8.25 4.14 0.00 1.48 1.29 0.00 3.50 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 93 V 8.43 4.14 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 0.93 0.00 0.00 0.87 0.00 0.00 94 Y 8.43 5.27 0.00 2.89 2.77 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 95 V 8.79 4.13 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.07 0.00 0.00 96 G 8.19 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 0.00 0.00 0.00 97 V 8.41 3.95 2.09 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 0.78 0.00 0.00 0.97 0.00 0.00 98 K 8.05 4.08 0.00 1.77 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.47 7.81 99 E 7.82 4.39 0.00 2.06 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 2.31 2.34 0.00 100 I 7.30 4.74 1.88 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 1.44 0.75 0.93 0.00 0.00 101 P 0.00 4.55 0.00 2.05 1.97 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 102 R 8.01 4.46 0.00 1.71 1.82 0.00 3.27 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 103 V 8.01 3.29 2.26 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 1.11 0.00 0.00 1.04 0.00 0.00 104 R 9.54 3.25 0.00 1.66 1.81 0.00 2.66 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.35 0.00 105 R 7.81 3.68 0.00 2.06 2.06 0.00 3.15 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 106 G 8.06 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 0.00 107 L 7.41 4.38 0.00 1.69 1.80 0.94 0.79 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 0.00 108 G 7.71 4.52 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 0.00 109 I 8.67 4.61 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.62 1.17 0.00 0.00 110 A 8.45 4.89 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 0.00 111 I 7.87 3.87 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.88 0.00 0.00 112 L 7.99 4.43 0.00 1.74 1.53 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.66 4.64 0.00 4.24 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 0.00 114 T 8.63 5.06 4.27 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 1.34 0.00 0.00 115 S 8.75 4.34 0.00 3.99 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 0.00 116 K 8.15 4.53 0.00 1.74 1.79 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.37 7.81 117 G 8.49 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.86 4.44 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 0.83 0.00 0.00 1.08 0.00 0.00 119 L 8.29 4.70 0.00 1.82 1.63 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.41 4.71 4.29 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 1.42 0.00 0.00 121 D 7.82 4.00 0.00 2.84 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 0.00 122 R 7.82 3.92 0.00 1.89 1.98 0.00 3.18 0.00 0.00 3.35 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 123 E 8.16 4.02 0.00 2.27 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 2.43 2.45 0.00 124 A 9.73 4.14 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 0.00 125 R 8.08 3.81 0.00 2.05 2.16 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 126 K 9.11 3.86 0.00 1.88 1.97 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 127 L 8.69 4.07 0.00 1.62 1.76 0.93 1.31 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 0.00 128 G 9.85 3.72 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 0.00 0.00 0.00 129 V 7.09 4.39 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 0.66 0.00 0.00 0.95 0.00 0.00 130 G 7.95 4.21 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 0.00 0.00 0.00 131 G 7.65 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.87 5.71 0.00 2.40 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 2.34 2.13 0.00 133 L 8.48 3.78 0.00 1.79 1.62 0.93 1.02 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 0.00 134 I 8.45 4.04 1.90 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 1.60 1.40 0.91 0.00 0.00 135 C 7.58 5.14 0.00 3.09 2.95 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 0.00 0.00 0.00 136 E 8.52 5.01 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 137 V 8.40 4.88 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 0.21 0.00 0.00 0.77 0.00 0.00 138 W 8.91 4.87 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