NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3614 8.3044 120.3479 55.5878 33.6925 175.7795 2 L 4.1889 8.2670 123.5330 54.2402 40.4748 174.9545 3 T 3.7858 7.2811 117.7834 63.6444 69.9091 173.1855 4 D 4.5458 7.7991 124.6894 50.8774 43.3640 173.3252 5 P 4.2198 0.0000 0.0000 65.8354 31.5104 178.5717 6 I 3.7291 7.9487 117.6509 64.1492 37.0217 178.3446 7 A 3.8789 7.9521 120.2841 55.2809 18.3247 178.8765 8 D 4.3956 8.4748 117.0219 57.8993 40.9656 178.6115 9 M 3.8968 8.0062 118.3172 58.5978 32.3344 177.8964 10 L 3.8716 7.7382 119.0716 58.3052 41.6159 179.9577 11 T 3.7981 8.3300 115.6199 66.6052 68.3882 176.6889 12 R 4.1460 7.7830 119.9421 59.4847 30.0605 178.9376 13 I 3.6170 7.9410 119.5097 64.4281 37.1413 178.2372 14 R 3.7542 8.3770 119.8710 59.5670 29.6245 178.1755 15 N 4.2013 8.7961 115.4383 56.2251 38.8762 176.8804 16 A 4.1268 8.5586 122.5827 55.5758 18.5516 179.6116 17 T 4.1203 8.0388 109.6696 64.6059 68.3309 176.5720 18 R 3.7701 7.7809 119.6151 57.9284 29.9858 177.8405 19 V 4.2475 7.2321 109.8630 60.7397 31.8836 175.1329 20 Y 3.3301 7.3948 115.5181 58.5724 35.6030 170.5009 21 K 4.0643 8.1989 117.8590 56.9787 32.9401 176.8940 22 E 4.2319 8.8510 121.3491 58.8524 30.0313 176.1818 23 S 5.0483 7.1842 110.9372 57.6907 65.5793 171.8431 24 T 4.0986 7.0549 110.7399 61.8176 71.0843 172.3689 25 D 5.2715 8.7797 128.1646 53.1921 42.9566 176.3228 26 V 4.5499 8.2462 112.8859 59.3970 36.4045 171.8239 27 P 3.4164 0.0000 0.0000 62.8296 31.4624 176.1577 28 A 4.3366 8.0509 126.9670 52.0914 19.3432 176.8799 29 S 4.5340 8.3921 112.1724 56.0187 65.8080 175.4445 30 R 3.8934 8.8389 123.1311 59.9235 29.9475 178.5784 31 F 4.1930 8.3882 119.3033 61.5197 39.2368 177.1500 32 K 3.6778 8.1010 118.8035 59.3513 32.0189 178.2332 33 E 3.5220 8.2660 119.8944 59.2703 28.9628 178.4235 34 E 3.9054 8.3578 118.8201 59.5791 29.4640 179.5253 35 I 3.5269 7.1728 118.8954 64.4325 37.1001 178.2249 36 L 3.8063 7.5752 119.6712 57.8576 41.2812 179.4001 37 R 4.1766 7.8967 118.4551 59.8564 29.8952 178.5677 38 I 3.7336 7.4110 118.0614 64.2900 37.0298 178.1055 39 L 4.1320 8.1138 119.9262 58.0354 41.4744 179.6459 40 A 4.0136 8.8988 121.2281 55.2194 18.1926 179.2384 41 R 3.8059 8.0773 116.5371 59.8894 30.0517 177.7006 42 E 3.9565 8.7402 114.6826 56.9636 29.3700 177.0642 43 G 3.7090 8.0195 107.3292 46.8532 0.0000 174.8687 44 F 4.7010 8.3701 119.6399 57.5899 39.9936 176.4475 45 I 4.7957 7.3860 111.9213 58.4774 40.5270 175.3835 46 K 4.0108 9.0411 122.0605 58.6256 32.2779 177.9921 47 G 4.0724 7.1463 104.4342 44.7045 0.0000 170.5785 48 Y 5.7113 7.5513 117.4140 56.1950 41.2452 173.8015 49 E 4.6714 9.0612 116.4228 54.7658 33.5932 174.5731 50 R 4.6843 8.7052 121.0508 56.5370 30.8407 176.1359 51 V 4.6117 8.6618 116.1289 59.5514 36.3754 174.3454 52 D 5.2512 8.6285 120.2859 52.9140 43.1320 175.9054 53 V 3.8974 8.8434 124.7987 62.4283 32.2909 175.4313 54 D 4.4775 9.9362 126.3584 54.9728 39.6459 174.0455 55 G 4.0721 8.6713 106.4332 44.4009 0.0000 174.3731 56 K 4.6620 8.1851 119.5777 53.6814 34.3504 173.7024 57 P 4.9849 0.0000 0.0000 63.5500 32.7855 174.9042 58 Y 5.1659 9.2099 121.8025 56.2963 42.8259 173.9274 59 L 5.0055 8.6649 119.4671 53.6199 45.4695 176.6414 60 R 4.1237 8.9238 124.4736 56.2403 31.3205 176.4507 61 V 4.4449 8.4395 123.6545 60.7709 33.2555 173.1024 62 Y 4.3842 9.1226 125.1517 57.8845 38.4797 176.0805 63 L 4.5333 8.7792 125.2122 54.4695 42.7503 176.6774 64 K 4.7331 7.8286 120.4373 55.2029 35.4575 174.5546 65 Y 4.8681 8.4233 121.5463 56.3254 43.1414 175.2364 66 G 4.1732 9.0035 109.0648 45.5752 0.0000 171.1345 67 P 4.8775 0.0000 0.0000 61.1706 33.7594 175.2543 68 R 4.2659 8.5085 119.9338 57.2098 30.6385 175.5817 69 R 4.7135 8.2717 123.1394 54.8134 33.0716 175.2271 70 Q 4.5513 8.5765 118.2844 55.1351 31.7072 178.1315 71 G 3.6645 8.3113 107.6606 46.2047 0.0000 172.5805 72 P 4.3046 0.0000 0.0000 63.3934 32.1256 175.1630 73 D 4.2474 8.5201 121.3477 54.5729 38.5933 170.9378 74 P 4.5640 0.0000 0.0000 62.3954 31.9035 176.8857 75 R 3.9465 7.7652 118.9918 56.0737 30.1599 175.0362 76 P 5.0324 0.0000 0.0000 62.1990 32.3123 175.6221 77 E 4.4064 8.7597 122.0298 56.0441 31.0404 176.2627 78 Q 4.6280 8.6025 123.3643 55.8084 29.7675 176.1367 79 V 4.1195 8.1795 118.7701 64.0408 32.4962 176.5666 80 I 4.4640 7.1333 121.6505 59.7089 35.8569 175.5622 81 H 4.0471 8.7212 120.7503 58.2712 29.5538 174.8617 82 H 4.2887 6.8988 117.8163 53.9208 33.7953 172.0712 83 I 4.2972 6.4433 123.9233 60.7146 40.4572 172.7024 84 R 4.5604 7.8322 129.5761 54.3682 33.5436 174.7446 85 R 4.0820 8.6359 124.4738 56.9970 30.6132 175.0827 86 I 4.4235 8.2679 119.3182 63.0309 39.1444 175.8885 87 S 4.2930 7.8124 115.4394 58.1256 62.5375 173.2413 88 K 4.6411 8.7939 125.3207 53.5683 36.0419 174.3241 89 P 4.1835 0.0000 0.0000 63.4165 31.4666 175.3353 90 G 3.9917 8.6475 104.0835 44.5987 0.0000 173.8316 91 R 5.4371 6.5728 130.2296 56.7014 32.6630 173.6457 92 R 4.0643 7.1695 118.7616 55.9390 31.4632 177.0723 93 V 4.0615 8.0884 121.4122 61.4840 33.7138 173.5834 94 Y 5.3935 8.2245 125.3052 56.4135 40.1533 175.8571 95 V 4.5867 8.8640 115.6926 59.4488 36.0139 175.8196 96 G 3.9714 9.0985 112.8060 44.6244 0.0000 175.3581 97 V 3.7044 8.3483 120.0422 64.0487 31.2834 177.4940 98 K 4.2109 7.9897 118.2064 57.7644 32.3788 177.0339 99 E 4.5239 8.4858 117.8572 55.9765 29.5246 175.7182 100 I 4.1098 7.6395 121.0826 59.4600 37.2083 174.2565 101 P 4.3844 0.0000 0.0000 62.9926 31.5718 176.6790 102 R 4.4030 8.0409 118.9171 53.7674 30.1177 175.3557 103 V 3.4954 8.2373 122.2158 64.5449 32.7716 176.3168 104 R 3.6307 9.2745 126.0979 58.8856 27.3696 176.1363 105 R 3.7419 8.7243 108.0795 57.1505 27.3490 178.2790 106 G 4.1244 8.3173 107.1044 45.8417 0.0000 176.4894 107 L 4.0795 8.1947 119.0088 56.4711 41.7153 176.6827 108 G 4.4724 7.3317 106.8972 43.4821 0.0000 171.3753 109 I 4.9800 9.2473 111.9102 59.0611 41.4949 174.0911 110 A 5.1009 8.8058 123.0006 50.2639 22.3886 175.1654 111 I 4.5220 9.1389 123.0161 59.8861 38.6827 175.3035 112 L 4.8519 8.5983 127.5595 53.4101 44.5364 175.7385 113 S 5.0932 8.9279 115.9171 56.9730 64.8300 173.0440 114 T 5.1489 9.0639 117.4151 59.3926 72.1342 175.0110 115 S 4.3949 8.8490 114.7091 59.6822 63.0451 174.6462 116 K 4.4255 7.9066 120.4570 56.2162 32.5967 177.0833 117 G 3.7947 8.1767 108.0373 44.9834 0.0000 173.7748 118 V 4.5387 8.2160 117.8717 60.4871 30.2830 175.0807 119 L 4.7521 7.8482 126.6907 53.6882 43.0707 176.6685 120 T 4.6426 7.9552 109.6802 60.9614 71.9065 174.6946 121 D 4.3551 8.1790 119.6594 56.9869 39.4714 178.6470 122 R 3.8940 7.9377 119.0715 58.9367 30.0904 178.6156 123 E 3.9434 8.0256 118.0804 59.3240 29.4714 179.3727 124 A 3.9530 8.2216 120.7549 55.1345 18.4538 179.3918 125 R 3.7927 8.6057 117.6745 59.5432 29.8919 178.2130 126 K 3.8836 8.3441 117.9802 59.7509 32.2573 178.1404 127 L 4.3102 7.9868 114.7170 53.9745 42.0099 177.1180 128 G 4.0611 8.2476 107.5363 46.3480 0.0000 173.1845 129 V 4.5282 7.8319 108.9119 59.6299 36.2915 174.7853 130 G 4.4607 8.2156 108.4954 43.3863 0.0000 171.1876 131 G 3.9483 7.8897 103.4054 45.8277 0.0000 170.7804 132 E 4.4487 7.8573 120.9485 56.2306 30.2974 178.3200 133 L 4.8198 9.0107 131.6724 53.7863 40.1581 176.4286 134 I 3.9133 7.5418 125.9690 62.7090 38.3450 176.1022 135 C 5.1633 7.6473 112.7587 57.6819 33.2507 172.4074 136 E 5.0291 7.9819 118.7335 55.4628 32.4281 174.9835 137 V 4.4850 8.9733 119.5254 61.5540 35.6634 173.5632 138 W 4.9836 7.8961 123.1950 57.0367 28.2314 174.4183 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 4.36 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 L 8.27 4.19 0.00 1.71 1.56 0.95 0.59 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 3 T 7.28 3.79 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 7.80 4.55 0.00 2.74 2.47 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 5 P 0.00 4.22 0.00 2.23 2.09 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 I 7.95 3.73 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.34 0.90 0.00 0.00 7 A 7.95 3.88 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 8 D 8.47 4.40 0.00 2.82 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 9 M 8.01 3.90 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 10 L 7.74 3.87 0.00 1.66 1.61 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.33 3.80 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 12 R 7.78 4.15 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.04 0.00 13 I 7.94 3.62 1.96 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 1.35 0.81 0.82 0.00 0.00 14 R 8.38 3.75 0.00 1.80 1.97 0.00 3.00 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 15 N 8.80 4.20 0.00 2.78 2.83 0.00 0.00 7.07 7.23 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 16 A 8.56 4.13 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 17 T 8.04 4.12 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 1.11 0.00 0.00 18 R 7.78 3.77 0.00 1.95 1.95 0.00 2.98 0.00 0.00 3.31 7.62 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 7.23 4.25 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 0.69 0.00 0.00 1.01 0.00 0.00 20 Y 7.39 3.33 0.00 3.05 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.20 4.06 0.00 1.84 1.88 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.40 7.81 22 E 8.85 4.23 0.00 2.07 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 2.54 2.43 0.00 23 S 7.18 5.05 0.00 3.49 3.62 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 24 T 7.05 4.10 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 25 D 8.78 5.27 0.00 2.57 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 26 V 8.25 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 0.69 0.00 0.00 0.86 0.00 0.00 27 P 0.00 3.42 0.00 1.73 1.66 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 28 A 8.05 4.34 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 8.39 4.53 0.00 4.00 3.90 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 0.00 0.00 0.00 30 R 8.84 3.89 0.00 1.90 2.10 0.00 3.35 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 31 F 8.39 4.19 0.00 3.05 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.10 3.68 0.00 1.91 1.66 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 33 E 8.27 3.52 0.00 2.06 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 2.35 2.19 0.00 34 E 8.36 3.91 0.00 2.04 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 2.49 2.56 0.00 35 I 7.17 3.53 1.74 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.17 0.75 0.00 0.00 36 L 7.58 3.81 0.00 1.24 1.37 0.39 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.90 4.18 0.00 1.99 1.97 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 38 I 7.41 3.73 2.02 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 1.53 0.53 0.97 0.00 0.00 39 L 8.11 4.13 0.00 1.83 1.82 0.90 1.18 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 40 A 8.90 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.81 0.00 1.94 2.13 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 42 E 8.74 3.96 0.00 2.01 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 2.54 2.54 0.00 43 G 8.02 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 44 F 8.37 4.70 0.00 3.23 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 45 I 7.39 4.80 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 1.63 0.87 0.95 0.00 0.00 46 K 9.04 4.01 0.00 2.10 1.97 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.59 7.81 47 G 7.15 4.07 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 0.00 0.00 0.00 48 Y 7.55 5.71 0.00 3.27 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 49 E 9.06 4.67 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 50 R 8.71 4.68 0.00 1.79 2.01 0.00 3.21 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 51 V 8.66 4.61 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 0.85 0.00 0.00 1.07 0.00 0.00 52 D 8.63 5.25 0.00 2.53 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 53 V 8.84 3.90 1.10 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 0.60 0.00 0.00 0.58 0.00 0.00 54 D 9.94 4.48 0.00 2.70 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 55 G 8.67 4.07 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 0.00 0.00 0.00 56 K 8.19 4.66 0.00 2.11 1.83 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.45 7.81 57 P 0.00 4.98 0.00 2.12 2.23 0.00 3.67 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 2.03 2.00 0.00 58 Y 9.21 5.17 0.00 2.93 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 59 L 8.66 5.01 0.00 1.55 1.58 0.77 1.25 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 60 R 8.92 4.12 0.00 1.81 1.31 0.00 3.07 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 61 V 8.44 4.44 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 1.00 0.00 0.00 0.99 0.00 0.00 62 Y 9.12 4.38 0.00 3.15 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 63 L 8.78 4.53 0.00 1.78 1.27 0.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.83 4.73 0.00 1.75 1.52 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.46 7.81 65 Y 8.42 4.87 0.00 3.07 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 66 G 9.00 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 0.00 0.00 0.00 0.00 67 P 0.00 4.88 0.00 2.14 2.23 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 68 R 8.51 4.27 0.00 1.80 1.86 0.00 3.16 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 69 R 8.27 4.71 0.00 1.71 1.86 0.00 3.22 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 70 Q 8.58 4.55 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 71 G 8.31 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 72 P 0.00 4.30 0.00 2.20 2.06 0.00 3.93 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 1.99 1.95 0.00 73 D 8.52 4.25 0.00 2.82 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 74 P 0.00 4.56 0.00 2.20 2.22 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 75 R 7.77 3.95 0.00 1.94 1.89 0.00 3.53 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.60 0.00 76 P 0.00 5.03 0.00 2.11 2.27 0.00 2.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 77 E 8.76 4.41 0.00 2.14 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 2.44 0.00 78 Q 8.60 4.63 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00 79 V 8.18 4.12 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 0.90 0.00 0.00 1.00 0.00 0.00 80 I 7.13 4.46 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.68 0.00 0.00 81 H 8.72 4.05 0.00 3.18 3.53 0.00 5.83 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 82 H 6.90 4.29 0.00 1.40 1.31 0.00 5.88 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 6.44 4.30 1.54 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.48 0.66 0.00 0.00 84 R 7.83 4.56 0.00 1.68 1.64 0.00 3.13 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 85 R 8.64 4.08 0.00 1.69 1.82 0.00 3.65 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 86 I 8.27 4.42 2.14 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 1.12 0.77 0.89 0.00 0.00 87 S 7.81 4.29 0.00 3.85 3.73 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 88 K 8.79 4.64 0.00 1.77 1.58 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.56 7.81 89 P 0.00 4.18 0.00 2.15 2.06 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 90 G 8.65 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 91 R 6.57 5.44 0.00 1.93 1.86 0.00 3.20 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 92 R 7.17 4.06 0.00 1.66 1.10 0.00 3.25 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 93 V 8.09 4.06 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 0.84 0.00 0.00 94 Y 8.22 5.39 0.00 2.91 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 95 V 8.86 4.59 2.25 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 0.91 0.00 0.00 1.05 0.00 0.00 96 G 9.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.35 3.70 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 0.77 0.00 0.00 1.01 0.00 0.00 98 K 7.99 4.21 0.00 1.78 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.46 7.81 99 E 8.49 4.52 0.00 2.10 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 2.28 2.27 0.00 100 I 7.64 4.11 1.89 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 1.50 0.71 0.94 0.00 0.00 101 P 0.00 4.38 0.00 2.20 2.08 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 102 R 8.04 4.40 0.00 1.79 1.91 0.00 3.22 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 103 V 8.24 3.50 2.33 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 1.28 0.00 0.00 1.06 0.00 0.00 104 R 9.27 3.63 0.00 1.81 1.66 0.00 3.06 0.00 0.00 2.78 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 105 R 8.72 3.74 0.00 1.77 1.90 0.00 3.24 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 106 G 8.32 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 0.00 107 L 8.19 4.08 0.00 1.61 1.76 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.33 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 0.00 109 I 9.25 4.98 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.11 1.07 0.00 0.00 110 A 8.81 5.10 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 0.00 111 I 9.14 4.52 1.85 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 1.25 1.22 0.88 0.00 0.00 112 L 8.60 4.85 0.00 1.63 1.72 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.93 5.09 0.00 4.18 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 0.00 114 T 9.06 5.15 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 1.29 0.00 0.00 115 S 8.85 4.39 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 7.91 4.43 0.00 1.79 1.85 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.36 7.81 117 G 8.18 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 0.00 118 V 8.22 4.54 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 1.00 0.00 0.00 1.06 0.00 0.00 119 L 7.85 4.75 0.00 1.89 1.92 0.97 0.48 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 0.00 120 T 7.96 4.64 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 1.35 0.00 0.00 121 D 8.18 4.36 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 0.00 122 R 7.94 3.89 0.00 1.90 2.03 0.00 3.15 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 123 E 8.03 3.94 0.00 2.23 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 2.35 2.35 0.00 124 A 8.22 3.95 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 0.00 125 R 8.61 3.79 0.00 2.12 1.96 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 126 K 8.34 3.88 0.00 1.81 2.06 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 127 L 7.99 4.31 0.00 1.91 1.70 0.93 1.22 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 0.00 128 G 8.25 4.06 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 0.00 0.00 0.00 129 V 7.83 4.53 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 0.79 0.00 0.00 0.95 0.00 0.00 130 G 8.22 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 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 7.86 4.45 0.00 2.32 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 2.12 0.00 133 L 9.01 4.82 0.00 1.85 1.54 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.54 3.91 2.19 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.07 0.91 0.00 0.00 135 C 7.65 5.16 0.00 3.02 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 0.00 136 E 7.98 5.03 0.00 2.16 2.16 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 2.25 2.33 0.00 137 V 8.97 4.48 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 -0.27 0.00 0.00 0.67 0.00 0.00 138 W 7.90 4.98 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