NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.4166 8.0385 120.6276 54.3325 43.6976 178.3469 23 A 3.8242 8.3525 123.6564 55.3924 18.0629 178.6599 24 D 4.3399 9.2331 118.7667 57.4607 41.3841 177.5509 25 S 4.1956 9.0866 116.1036 61.4765 62.8523 176.8310 26 K 3.9244 8.4953 121.3373 59.4988 31.8016 179.1879 27 A 4.0472 8.4038 121.6096 55.1957 18.2379 180.0996 28 V 3.7735 8.0667 117.6811 64.7366 31.4867 178.6396 29 L 4.2084 8.2080 119.7396 57.8143 41.5025 179.0445 30 N 4.2921 8.3401 116.9664 56.4615 38.7553 176.3615 31 Q 4.2239 8.7470 121.4442 59.7165 29.1003 178.9081 32 A 4.2439 8.4858 121.5407 54.9490 18.5118 179.6035 33 V 3.5569 8.2386 116.9570 66.2271 31.6246 178.1392 34 A 4.1279 8.4000 120.2365 55.4598 18.2860 179.3818 35 D 4.3660 8.6001 117.7727 57.6085 40.8544 179.1063 36 L 4.1477 8.6400 119.8747 57.7566 41.5845 179.7491 37 S 3.8899 7.8243 115.0475 61.4857 62.5787 176.9594 38 V 3.5807 7.8875 120.6559 65.8748 31.2516 177.7097 39 A 3.9940 8.6534 120.9370 55.5582 18.1555 179.0524 40 H 4.0079 8.5127 116.7650 59.5039 29.9312 177.4540 41 S 4.1047 7.9676 114.4546 61.4079 62.1405 176.2109 42 I 3.6800 8.0015 122.6939 64.3776 36.7700 178.3907 43 L 3.9166 8.0449 119.9357 58.0057 41.3516 179.1333 44 H 3.6561 8.1217 118.2474 58.8468 29.5993 177.0544 45 Q 4.2035 8.0411 121.4692 59.2306 28.7859 178.4156 46 V 3.6148 7.9488 119.2962 66.3445 31.3578 177.0299 47 H 4.0796 8.0927 116.7600 59.5329 29.6284 176.6697 48 W 4.7417 8.1652 118.9012 59.5770 29.0456 177.4778 49 Y 4.3527 8.6581 114.8035 57.1949 37.8262 175.2798 50 M 4.4495 7.5592 121.2074 55.8900 32.9932 175.6480 51 R 4.6559 8.6628 123.1677 55.4173 34.5837 173.7986 52 G 4.2223 9.0418 106.8257 42.8450 0.0000 173.2118 53 R 4.2141 8.2801 119.5794 57.7739 30.3857 177.6943 54 G 4.2035 9.3504 110.8789 45.1842 0.0000 174.6906 55 F 4.1079 8.6412 122.2870 62.0127 39.0545 176.8227 56 M 4.3509 8.3482 115.2786 58.4070 31.7427 177.8051 57 I 3.7089 7.5733 119.5456 63.8712 37.6877 177.9127 58 W 4.2302 8.2192 119.4109 58.8906 28.7940 178.3045 59 H 3.8777 8.1210 118.5516 58.6873 29.4220 175.3030 60 P 4.2882 0.0000 0.0000 64.8358 31.3776 178.0139 61 K 3.5734 7.3637 119.3720 59.5810 31.9174 178.4604 62 M 4.0429 7.8875 118.9270 58.3188 31.7124 178.4419 63 D 4.1511 7.5661 119.1919 57.2434 40.9694 178.4904 64 E 3.8894 7.9197 118.4702 59.7521 29.4521 178.9709 65 Y 4.4756 7.7990 116.5264 61.4234 37.9736 178.4900 66 M 4.0486 8.4648 120.0306 58.3753 32.0799 178.2616 67 E 3.8756 8.4319 119.7450 59.3467 29.7456 178.5988 68 E 3.6650 8.1536 119.1187 59.1336 29.6422 178.5699 69 I 3.7582 8.0540 120.2602 64.7744 37.2787 177.9691 70 D 4.4326 8.6253 119.9602 57.3540 40.6048 179.2241 71 G 3.5036 7.9988 106.0284 48.0756 0.0000 175.3591 72 Y 4.3257 7.4115 119.4064 60.5565 37.7594 178.4026 73 L 3.9744 8.1633 121.5518 58.2638 42.2277 178.6436 74 D 4.2866 8.1810 117.9672 57.2528 41.2042 177.7800 75 E 3.9323 8.1814 119.9289 59.5202 29.6545 178.7778 76 M 3.9100 8.2368 118.9295 58.1896 31.9950 178.5742 77 S 4.1008 8.3450 113.6546 61.6071 62.6422 176.0401 78 E 4.0562 8.6836 120.9100 58.5393 29.2437 179.1793 79 R 3.8605 7.9884 119.5574 59.0040 30.0239 178.0833 80 L 3.9101 7.9185 120.1808 58.2596 42.1335 178.9218 81 I 3.8284 7.8654 119.7238 64.9612 36.8549 178.5752 82 T 3.9158 7.7096 115.0346 66.2788 68.3213 175.7470 83 L 4.3875 7.6491 118.2557 54.7780 41.8681 177.5380 84 G 3.8482 8.1627 107.7674 45.3056 0.0000 173.8167 85 G 3.8426 7.9118 109.1819 43.6632 0.0000 173.6984 86 A 4.4730 7.9660 121.2983 49.1380 19.8215 174.0490 87 P 4.4798 0.0000 0.0000 62.8940 32.2640 176.8849 88 F 4.6504 8.3316 120.2574 59.0136 39.3216 176.6120 89 S 4.8157 8.7011 118.5322 56.1687 63.4155 174.9616 90 T 4.4777 6.6374 109.7200 60.1125 72.8572 173.4778 91 L 4.0339 8.2518 122.4036 57.5822 41.6380 179.7606 92 K 3.8475 7.7981 119.2661 59.6050 32.2593 178.4909 93 E 3.7032 7.8105 118.7689 59.2752 29.3169 179.5079 94 F 4.3837 7.6993 117.6973 60.6718 38.8172 177.7534 95 S 4.1119 8.1425 111.6003 61.4953 62.3209 175.6956 96 E 4.0539 8.0547 120.1753 59.4408 29.2760 178.7099 97 N 4.4112 7.6933 115.1430 54.4641 39.0881 176.0389 98 S 4.4413 7.4326 114.4874 58.4496 62.9350 173.8391 99 Q 4.2985 8.7168 124.2472 56.1598 29.1800 176.4881 100 L 3.9128 7.4211 118.7665 54.1899 42.2589 176.3657 101 K 4.5618 8.2303 121.0318 54.6035 34.4025 175.5070 102 E 4.6409 8.5053 121.9018 54.6804 31.5575 175.6537 103 V 4.4791 7.7636 114.4314 58.8318 35.0632 175.5762 104 L 4.0392 8.1931 121.1289 54.3736 42.0176 177.8489 105 G 2.4191 8.0180 110.9004 45.5168 0.0000 172.9039 106 D 4.3366 7.2629 121.7024 52.8523 43.2686 175.4812 107 Y 4.8140 8.6710 124.2188 59.8325 38.1728 176.3622 108 N 4.7460 8.5995 116.1595 53.1957 39.1074 175.6423 109 V 3.8113 7.2948 119.1724 62.9077 32.1945 176.4471 110 T 4.3884 8.4959 117.6360 60.7362 71.1551 176.1932 111 I 3.6554 8.1306 121.3183 64.6301 37.0394 178.3519 112 E 3.8298 8.1307 118.7646 59.5922 29.2383 179.2380 113 E 3.9038 8.1136 118.3777 59.3923 29.5210 179.4273 114 Q 3.9222 8.2052 118.1610 59.0624 28.8035 178.9733 115 L 3.6890 8.0109 120.0050 57.5758 41.5279 179.4917 116 A 3.8974 8.1893 121.1227 54.9240 18.1720 179.7056 117 R 3.7649 8.1957 117.9095 59.3461 30.1085 178.8662 118 V 3.2059 7.6372 118.1622 65.7277 31.4515 178.0226 119 V 3.4773 7.5901 117.9292 66.0174 31.3221 177.6538 120 E 3.9184 8.1345 118.1244 59.5400 29.2797 179.5247 121 V 3.6585 7.8745 118.0957 66.2255 31.5888 178.0687 122 F 4.3918 8.6947 117.8788 60.6952 38.7375 177.8790 123 R 3.9563 8.6843 118.1656 59.2546 29.7738 178.3614 124 Y 3.8721 8.0946 119.2488 60.7078 38.8311 178.2611 125 L 3.3625 8.1905 119.7328 57.4950 41.6814 179.2569 126 A 3.8444 8.0967 120.7943 55.1662 18.2551 179.6124 127 A 3.7916 7.7682 119.1046 55.0538 18.3774 179.6063 128 L 3.6364 7.5414 119.2282 58.2512 42.0508 179.2927 129 F 4.6108 8.1711 118.1695 60.3121 38.7853 177.5685 130 Q 3.9095 8.1214 119.5237 58.9319 28.7875 178.1121 131 K 3.9047 8.0851 120.8136 59.4897 32.2391 178.9572 132 G 2.1169 7.8709 106.3015 47.0165 0.0000 175.2897 133 F 4.0483 8.1978 123.4455 61.1740 39.3686 176.7458 134 D 4.4468 8.8073 118.6394 57.5608 40.7228 179.1396 135 V 3.5453 7.9116 118.7871 66.0587 31.6280 178.2045 136 S 4.5908 8.0268 115.3602 60.8803 62.7626 175.9012 137 D 4.1103 8.0232 121.6284 57.2607 40.7658 178.2140 138 E 4.0005 8.1251 117.6668 58.9625 29.5163 178.3364 139 E 4.3594 8.1195 116.3043 55.9062 29.8883 177.1336 140 G 3.7978 7.7408 107.1121 46.6195 0.0000 174.8514 141 D 4.6221 7.9813 122.0356 52.7389 39.5727 176.5458 142 S 4.0807 8.0588 120.4455 60.4381 63.6326 176.6289 143 V 3.4727 7.6423 121.5826 66.2144 31.4485 177.8202 144 T 3.7366 7.8779 114.9633 66.6035 68.2997 175.6910 145 N 4.4795 8.1069 120.2608 56.2597 38.7523 176.2987 146 D 4.3726 8.0339 118.9663 57.2629 41.3400 178.0882 147 I 3.5339 7.5269 119.9802 64.4344 36.9919 178.4182 148 F 3.9092 7.9703 118.4716 60.2800 38.6179 177.2307 149 N 4.3341 8.3768 116.7216 56.7447 38.8143 176.8748 150 V 3.5370 7.9474 119.4924 66.0846 31.5871 177.7876 151 A 3.2564 7.4636 120.1244 54.6187 17.9080 179.4010 152 K 3.9985 8.2615 118.2627 59.6211 32.4131 178.4578 153 A 3.9747 8.1754 121.3222 55.5691 18.2939 179.6702 154 S 4.0565 7.8984 110.8409 61.5502 62.5337 176.3376 155 I 3.5354 7.8838 122.5488 64.4342 36.7984 178.3393 156 E 4.0580 8.4331 119.5419 59.1071 29.2346 179.2638 157 K 4.2606 8.0787 119.4665 59.9892 32.2400 178.5211 158 H 4.4282 8.3470 116.4625 59.0343 28.5316 177.8176 159 I 3.8351 8.0327 121.6143 64.0201 36.8862 178.0185 160 W 4.4271 8.3431 129.2262 61.0555 30.4719 177.9213 161 M 3.3617 7.8125 118.2639 58.0610 31.3351 178.8599 162 L 3.9800 8.3566 119.4533 57.9118 41.7552 179.4151 163 Q 3.9666 8.4313 118.1175 58.9408 28.6176 178.8211 164 A 4.0320 8.3078 121.9853 55.4012 18.2124 179.0654 165 E 3.9804 8.1063 116.2851 59.5507 29.7325 178.3102 166 L 4.3314 7.6613 115.6925 54.4270 41.7915 177.2484 167 G 3.9226 8.2958 107.4209 46.3784 0.0000 173.5592 168 Q 4.6528 8.1323 116.7797 53.0650 32.6919 175.4560 169 A 4.3632 8.2395 122.1805 51.4785 19.1684 177.2192 170 P 4.1982 0.0000 0.0000 63.8674 31.8838 177.2135 171 K 3.8316 7.3591 114.1281 57.1400 30.1495 174.9619 172 L 4.1762 7.8789 121.4497 55.2318 41.4876 177.7331 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 22 L 8.04 4.42 0.00 1.72 1.74 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.35 3.82 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 24 D 9.23 4.34 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 25 S 9.09 4.20 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.50 3.92 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.64 7.81 27 A 8.40 4.05 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 28 V 8.07 3.77 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 0.92 0.00 0.00 0.86 0.00 0.00 29 L 8.21 4.21 0.00 1.96 1.79 0.92 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.34 4.29 0.00 2.83 2.59 0.00 0.00 6.86 6.26 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 31 Q 8.75 4.22 0.00 2.45 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.79 0.00 32 A 8.49 4.24 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 0.00 0.00 33 V 8.24 3.56 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 1.25 0.00 0.00 1.09 0.00 0.00 34 A 8.40 4.13 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.60 4.37 0.00 2.94 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 36 L 8.64 4.15 0.00 1.81 1.81 1.23 1.25 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 37 S 7.82 3.89 0.00 3.51 3.27 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 38 V 7.89 3.58 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 1.05 0.00 0.00 0.98 0.00 0.00 39 A 8.65 3.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.51 4.01 0.00 3.31 3.47 0.00 5.79 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 41 S 7.97 4.10 0.00 3.99 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 42 I 8.00 3.68 1.97 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 1.48 0.54 0.85 0.00 0.00 43 L 8.04 3.92 0.00 1.78 1.66 1.15 0.83 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 44 H 8.12 3.66 0.00 2.95 2.55 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.04 4.20 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 46 V 7.95 3.61 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 0.94 0.00 0.00 1.02 0.00 0.00 47 H 8.09 4.08 0.00 3.06 3.25 0.00 6.00 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 48 W 8.17 4.74 0.00 3.69 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 49 Y 8.66 4.35 0.00 3.22 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 50 M 7.56 4.45 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.85 0.00 51 R 8.66 4.66 0.00 1.93 1.82 0.00 3.47 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.00 52 G 9.04 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 0.00 0.00 0.00 0.00 53 R 8.28 4.21 0.00 1.87 1.95 0.00 3.38 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 54 G 9.35 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 0.00 0.00 0.00 0.00 55 F 8.64 4.11 0.00 3.35 3.12 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 56 M 8.35 4.35 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 57 I 7.57 3.71 1.66 0.00 0.00 0.63 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 0.98 -0.14 0.00 0.00 58 W 8.22 4.23 0.00 3.46 3.19 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 59 H 8.12 3.88 0.00 1.65 2.55 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.29 0.00 2.18 2.22 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 61 K 7.36 3.57 0.00 1.56 1.84 0.00 0.90 0.00 0.00 1.05 0.00 0.00 2.60 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.97 0.72 7.81 62 M 7.89 4.04 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.99 0.00 63 D 7.57 4.15 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 3.89 0.00 1.91 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 2.31 2.26 0.00 65 Y 7.80 4.48 0.00 3.21 3.17 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 66 M 8.46 4.05 0.00 1.87 2.15 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.27 0.00 67 E 8.43 3.88 0.00 2.06 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 2.26 2.29 0.00 68 E 8.15 3.67 0.00 2.08 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 1.90 1.94 0.00 69 I 8.05 3.76 2.17 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 1.69 0.53 1.03 0.00 0.00 70 D 8.63 4.43 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.41 4.33 0.00 3.22 2.84 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 73 L 8.16 3.97 0.00 1.77 1.93 0.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.18 4.29 0.00 2.89 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 75 E 8.18 3.93 0.00 2.15 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 2.21 2.30 0.00 76 M 8.24 3.91 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.99 0.00 77 S 8.35 4.10 0.00 3.95 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 78 E 8.68 4.06 0.00 2.05 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 2.33 2.41 0.00 79 R 7.99 3.86 0.00 1.95 1.98 0.00 3.10 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 80 L 7.92 3.91 0.00 1.79 1.85 0.92 0.74 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 81 I 7.87 3.83 2.02 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 1.52 0.80 0.90 0.00 0.00 82 T 7.71 3.92 4.39 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 1.19 0.00 0.00 83 L 7.65 4.39 0.00 1.77 1.69 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.16 3.85 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 0.00 0.00 0.00 85 G 7.91 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 86 A 7.97 4.47 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 87 P 0.00 4.48 0.00 2.27 2.07 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 88 F 8.33 4.65 0.00 3.40 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 89 S 8.70 4.82 0.00 4.03 4.08 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 90 T 6.64 4.48 4.09 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 0.00 0.00 0.00 1.18 0.00 0.00 91 L 8.25 4.03 0.00 1.71 1.82 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.80 3.85 0.00 1.76 1.71 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 93 E 7.81 3.70 0.00 1.92 1.68 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 2.33 2.28 0.00 94 F 7.70 4.38 0.00 3.25 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 95 S 8.14 4.11 0.00 3.94 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 96 E 8.05 4.05 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 97 N 7.69 4.41 0.00 2.21 2.64 0.00 0.00 7.02 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.43 4.44 0.00 4.09 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 99 Q 8.72 4.30 0.00 1.85 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 100 L 7.42 3.91 0.00 1.49 1.43 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.23 4.56 0.00 1.65 1.64 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.31 7.81 102 E 8.51 4.64 0.00 1.91 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 2.20 2.27 0.00 103 V 7.76 4.48 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 0.70 0.00 0.00 0.85 0.00 0.00 104 L 8.19 4.04 0.00 1.54 1.50 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.02 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 7.26 4.34 0.00 2.47 2.35 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 0.00 107 Y 8.67 4.81 0.00 3.13 3.03 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 0.00 0.00 0.00 0.00 108 N 8.60 4.75 0.00 2.85 2.90 0.00 0.00 6.91 8.01 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 0.00 109 V 7.29 3.81 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 0.81 0.00 0.00 0.95 0.00 0.00 110 T 8.50 4.39 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 0.00 111 I 8.13 3.66 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.27 0.81 0.00 0.00 112 E 8.13 3.83 0.00 2.01 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 2.36 2.40 0.00 113 E 8.11 3.90 0.00 2.15 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 2.30 2.32 0.00 114 Q 8.21 3.92 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 115 L 8.01 3.69 0.00 1.33 1.25 -0.41 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.19 3.90 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 0.00 117 R 8.20 3.76 0.00 1.92 1.84 0.00 3.03 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 118 V 7.64 3.21 1.84 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 -0.14 0.00 0.00 0.82 0.00 0.00 119 V 7.59 3.48 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 0.88 0.00 0.00 0.87 0.00 0.00 120 E 8.13 3.92 0.00 2.20 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 2.45 0.00 121 V 7.87 3.66 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 1.26 0.00 0.00 0.92 0.00 0.00 122 F 8.69 4.39 0.00 3.19 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 0.00 123 R 8.68 3.96 0.00 1.99 1.99 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 124 Y 8.09 3.87 0.00 3.15 3.19 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 0.00 125 L 8.19 3.36 0.00 1.56 0.84 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.10 3.84 1.30 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 0.00 0.00 0.00 127 A 7.77 3.79 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 0.00 128 L 7.54 3.64 0.00 1.07 1.34 1.16 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.17 4.61 0.00 3.12 3.21 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 0.00 130 Q 8.12 3.91 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 131 K 8.09 3.90 0.00 1.86 1.78 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.40 7.81 132 G 7.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.20 4.05 0.00 3.25 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 0.00 134 D 8.81 4.45 0.00 2.84 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 0.00 135 V 7.91 3.55 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 1.07 0.00 0.00 0.91 0.00 0.00 136 S 8.03 4.59 0.00 4.31 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.02 4.11 0.00 2.54 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.00 0.00 2.10 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 2.46 0.00 139 E 8.12 4.36 0.00 1.93 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 2.29 2.44 0.00 140 G 7.74 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 7.98 4.62 0.00 2.76 2.55 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 0.00 142 S 8.06 4.08 0.00 4.04 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 0.00 143 V 7.64 3.47 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 1.01 0.00 0.00 0.90 0.00 0.00 144 T 7.88 3.74 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 1.32 0.00 0.00 145 N 8.11 4.48 0.00 2.65 2.87 0.00 0.00 6.39 8.10 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 0.00 146 D 8.03 4.37 0.00 2.77 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 0.00 147 I 7.53 3.53 1.64 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 1.39 0.84 0.51 0.00 0.00 148 F 7.97 3.91 0.00 3.36 3.23 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 0.00 149 N 8.38 4.33 0.00 3.32 3.03 0.00 0.00 6.85 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 0.00 150 V 7.95 3.54 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 0.99 0.00 0.00 0.94 0.00 0.00 151 A 7.46 3.26 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.26 4.00 0.00 2.07 1.97 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.52 7.81 153 A 8.18 3.97 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 0.00 154 S 7.90 4.06 0.00 3.98 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 0.00 155 I 7.88 3.54 1.84 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.00 0.64 0.00 0.00 156 E 8.43 4.06 0.00 2.10 2.03 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 0.00 2.34 2.42 0.00 157 K 8.08 4.26 0.00 1.99 2.02 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.86 1.90 7.81 158 H 8.35 4.43 0.00 3.47 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.03 3.84 2.15 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 1.57 1.06 1.00 0.00 0.00 160 W 8.34 4.43 0.00 3.42 3.52 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 0.00 161 M 7.81 3.36 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.18 0.00 162 L 8.36 3.98 0.00 1.66 1.60 0.75 0.49 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 0.00 163 Q 8.43 3.97 0.00 2.34 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.52 2.76 0.00 164 A 8.31 4.03 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 0.00 165 E 8.11 3.98 0.00 2.21 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 0.00 2.27 2.44 0.00 166 L 7.66 4.33 0.00 1.80 1.64 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 167 G 8.30 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.13 4.65 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 169 A 8.24 4.36 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 0.00 170 P 0.00 4.20 0.00 2.13 2.30 0.00 3.89 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 2.08 2.37 0.00 171 K 7.36 3.83 0.00 1.94 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.60 7.81 172 L 7.88 4.18 0.00 1.63 1.58 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00