NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4532 8.3044 118.1960 55.2211 32.4782 175.0483 2 L 4.0599 7.7868 121.4519 53.0470 42.0491 173.6799 3 K 4.3035 8.2968 119.4318 54.7871 31.3447 172.6057 4 Q 4.8857 8.4980 128.6290 55.1839 29.9709 175.6036 5 V 4.7993 8.6785 122.3150 61.2571 36.0458 173.5619 6 E 5.0073 9.1876 123.6881 54.5130 32.8471 175.0974 7 I 5.0213 8.1737 124.4423 59.4027 41.0740 174.4340 8 F 5.3995 9.2546 124.8684 55.9160 42.0116 174.4527 9 T 5.3343 8.5699 112.0135 60.5683 72.3994 172.7477 10 D 4.6794 8.9029 119.8334 53.5038 45.1202 174.5274 11 G 4.5404 8.9617 112.4902 45.1712 0.0000 172.7424 12 S 4.9055 8.4393 114.3417 57.4639 66.3072 172.6673 13 C 5.0884 8.5856 126.2131 57.6997 34.5369 172.9246 14 L 4.4894 8.9817 125.5298 54.4139 41.8923 176.9647 15 G 3.9890 7.4834 106.6476 46.7891 0.0000 173.5190 16 N 4.9748 8.3884 111.8778 52.5855 39.6233 172.9052 17 P 4.6773 0.0000 0.0000 61.5466 34.2242 175.3527 18 G 4.0150 8.2094 105.6014 45.2919 0.0000 170.9362 19 P 4.8526 0.0000 0.0000 62.5716 32.5100 176.2136 20 G 4.4121 9.3357 109.4895 45.9575 0.0000 171.5785 21 G 4.7010 9.2296 106.8092 45.5395 0.0000 171.6687 22 Y 5.5446 8.4162 117.7891 55.1159 41.9939 174.7991 23 G 4.5278 9.0131 105.7577 44.9667 0.0000 171.4802 24 A 5.4583 9.2762 123.6853 50.6292 23.3751 175.0764 25 I 5.0507 9.3720 123.1113 59.4122 40.3861 174.3096 26 L 5.1743 9.7186 129.8723 53.3897 44.6110 175.1239 27 R 5.0031 9.1913 124.9030 55.6870 33.6644 173.3409 28 Y 4.6834 9.0993 123.4830 58.1509 38.3754 177.8872 29 R 4.2888 8.6014 113.9693 54.9233 30.1845 174.4004 30 G 4.2609 8.3673 109.3178 46.1118 0.0000 173.9893 31 R 4.0125 7.7891 118.0259 56.6114 30.6427 175.0168 32 E 5.1321 8.4811 120.7800 54.8003 32.6953 174.1695 33 K 4.5167 9.5720 127.0801 54.9484 34.5725 175.2603 34 T 5.0503 8.1764 121.1717 61.7559 71.1019 173.7557 35 F 5.0515 9.4455 123.9927 55.9315 42.5462 174.1110 36 S 5.0707 8.5487 115.6529 57.1402 65.6875 172.9001 37 A 4.1584 7.0741 123.6047 51.3467 21.9073 175.4839 38 G 4.4118 7.7552 107.4053 44.5229 0.0000 171.2753 39 Y 5.9113 9.6419 119.8016 55.0361 41.0954 177.0444 40 T 3.9828 8.7314 112.6711 64.3975 70.4512 173.8775 41 R 4.7778 7.8761 121.7736 55.5556 32.7237 173.6751 42 T 4.0761 8.6308 121.6237 61.6000 71.4046 171.6413 43 T 4.6951 7.6525 110.3888 59.2921 71.5566 174.7418 44 N 4.2587 8.6443 120.0573 56.7469 39.0305 176.6862 45 N 4.1683 7.8381 117.3674 56.4116 38.5446 177.3534 46 R 3.8068 7.5776 118.9991 59.5788 30.0116 179.0750 47 M 4.0682 7.9304 118.3308 58.4047 32.0335 178.5828 48 E 4.1176 8.1285 118.6683 58.7885 29.5950 179.1971 49 L 3.8743 7.6292 118.8667 57.9753 41.7121 178.7153 50 M 3.6336 8.1386 118.1291 58.9076 31.7937 178.2092 51 A 3.5418 7.6095 120.4448 54.8712 18.4896 179.5190 52 A 3.9270 7.5775 118.3071 55.0984 18.5091 179.7376 53 I 3.5056 7.7628 118.5290 64.5655 36.9959 178.5860 54 V 3.2985 7.4919 117.7998 65.9571 31.4326 177.6592 55 A 3.4336 7.2804 120.1652 54.9313 18.2609 179.6600 56 L 3.8139 7.8307 117.5440 57.8669 41.5533 179.1738 57 E 4.1593 8.3836 115.8794 57.6748 29.4771 178.0144 58 A 4.3164 7.2635 120.2604 51.6936 19.3064 177.3005 59 L 4.1344 7.2517 118.5198 54.3412 42.2063 177.1987 60 K 4.3766 8.5346 121.7027 56.3307 32.8085 175.4186 61 E 4.6179 7.4537 115.5729 54.4144 32.7528 174.3621 62 H 4.3772 8.5672 116.6179 56.1292 29.0658 174.8054 63 C 5.1740 8.8543 120.9888 57.8393 32.9063 172.4644 64 E 4.7717 8.9759 121.6222 54.8705 30.8793 174.5181 65 V 4.6117 8.5521 128.2747 61.0754 34.1980 174.2563 66 I 4.3411 8.1374 128.8978 59.5017 39.0224 173.5752 67 L 4.5924 7.7728 132.5782 53.5350 43.6210 174.8350 68 S 5.3997 8.5437 121.7886 56.0880 64.7735 172.6042 69 T 5.0697 8.4218 120.1318 61.1109 70.6321 173.2454 70 D 5.3470 8.8396 125.4212 52.4004 40.5182 176.3401 71 S 4.4674 8.0274 116.1765 58.3356 62.9197 174.8508 72 Q 3.9676 8.8938 127.2715 58.9035 28.6755 177.7102 73 Y 4.2042 8.0441 120.1297 60.8227 38.8802 178.2319 74 V 3.8022 8.1172 119.1437 65.9219 31.5853 177.7701 75 R 2.5100 7.6058 118.0300 59.2191 29.3279 178.5615 76 Q 3.5452 8.0809 118.1309 58.5348 28.5564 179.0629 77 G 3.0007 7.8033 106.8652 47.4225 0.0000 175.9717 78 I 3.6223 7.5188 121.7488 64.2128 37.3408 178.1093 79 T 4.0581 7.3469 107.1613 62.5982 68.7440 174.6638 80 Q 3.8758 7.0761 118.0613 56.6052 31.8590 176.0992 81 W 4.2443 6.7780 114.6873 56.1419 31.7219 177.3183 82 I 3.6251 7.4796 118.9340 64.1339 37.3279 177.2147 83 H 3.9978 7.9208 118.4055 59.3389 29.7605 176.7469 84 N 4.1657 7.8639 117.5755 56.0943 38.4359 177.0218 85 W 4.2684 8.0949 120.5371 59.8119 28.9161 178.3956 86 K 2.6794 7.3306 118.8766 59.0275 31.2954 178.6862 87 A 3.9154 7.2194 119.6407 54.9077 18.1075 178.8815 88 R 4.3199 8.1735 115.4938 55.5207 30.1407 176.9870 89 G 3.5000 7.8327 105.9825 47.0481 0.0000 174.5492 90 W 3.5925 8.0556 115.3953 56.9720 27.5542 174.5699 91 K 4.8811 7.4468 115.9306 54.8579 33.9609 175.8258 92 T 4.3409 8.3907 111.3060 59.9646 70.6717 175.4563 93 A 3.9675 8.6490 123.8982 55.2654 18.0899 178.3494 94 D 4.8073 7.8868 112.9788 53.6403 40.1327 176.1009 95 K 3.8511 7.9398 115.8013 58.6887 30.4823 175.3740 96 K 4.6929 7.6929 116.3465 53.6792 34.9923 174.6146 97 P 4.5202 0.0000 0.0000 63.3910 31.8604 176.7387 98 V 3.7436 8.1533 116.3867 60.3968 32.9503 175.8839 99 K 4.0294 8.4079 124.2469 58.0452 32.7516 176.1875 100 N 4.5088 9.2791 121.2483 52.8236 36.5742 176.9400 101 V 3.5856 7.6309 119.9828 65.0954 31.0213 176.6078 102 D 4.2294 8.1280 119.3055 56.2943 38.6839 178.7779 103 L 3.9562 7.5313 119.2241 57.1386 42.0268 179.0128 104 W 4.2428 8.0224 118.7664 59.9051 28.9286 178.6841 105 Q 3.3378 8.0014 118.3496 58.7808 28.0068 178.9138 106 R 3.8954 7.4939 118.0345 58.7962 29.9967 179.0293 107 L 3.9051 8.2226 120.6671 58.2540 42.2397 178.1142 108 D 4.6559 8.8198 118.2416 57.6580 40.8458 178.2723 109 A 4.0248 8.0425 119.5594 55.3010 18.7676 178.9507 110 A 4.1036 7.8381 118.6580 55.3092 18.3454 179.7090 111 L 4.0637 8.6026 117.8275 58.0969 41.6762 179.9995 112 G 3.7979 8.0651 103.2212 47.1571 0.0000 174.9653 113 Q 4.2204 7.8312 119.4738 57.5359 28.9874 174.7363 114 H 4.9812 7.8301 115.1394 53.9504 33.7067 172.8869 115 Q 4.3309 8.7363 120.7780 55.3645 29.4445 174.2126 116 I 4.4692 8.1367 127.6106 59.7190 39.3428 175.6665 117 K 4.3265 8.4985 127.1714 54.3084 34.6884 174.9641 118 W 4.3799 8.6248 127.8017 56.0252 30.4556 176.0297 119 E 4.3124 8.5805 125.0670 54.0964 31.1927 174.2331 120 W 5.3263 8.3866 127.1767 56.1109 30.2860 176.3911 121 V 4.5107 8.9276 124.7036 61.0301 34.4051 174.8643 122 K 4.4287 8.4687 122.0380 55.0706 33.5163 177.0642 123 G 3.5167 8.6112 116.7263 46.5931 0.0000 171.0200 124 H 4.2612 8.5117 116.2429 56.2536 27.1451 174.3809 125 A 4.6589 7.9382 129.6751 52.0357 20.4473 176.1254 126 G 3.8554 8.5150 103.6120 48.9421 0.0000 176.4148 127 H 4.7284 8.1502 115.6270 52.4065 29.6234 173.6852 128 P 4.0308 0.0000 0.0000 65.6508 31.5780 177.2995 129 E 3.7393 7.6474 116.7212 59.3993 29.0952 179.2225 130 N 4.5225 7.8399 115.3197 56.3475 38.9356 176.8732 131 E 4.1626 8.6329 120.5230 59.2803 29.4779 179.1982 132 R 3.9353 8.3590 119.1742 59.6075 29.9623 178.4509 133 C 4.2211 8.2964 116.5138 62.5473 28.1261 175.5594 134 A 4.0400 7.7977 122.1428 55.5129 17.8194 179.6395 135 E 3.9530 8.1209 116.3425 59.4323 29.5772 179.2554 136 L 3.8642 7.7909 118.9847 57.6998 41.6889 179.5420 137 A 4.0894 8.2868 120.8072 55.2411 18.1751 179.7254 138 R 3.8652 7.9663 115.7723 59.4036 30.4753 178.2447 139 A 4.0991 8.9278 121.6047 55.0793 18.3398 179.3939 140 A 3.8630 8.2511 119.3185 55.2804 18.2796 179.5652 141 A 4.0460 8.3010 117.6290 54.4245 18.5263 178.6196 142 M 4.3433 7.7243 115.5686 55.3213 33.7976 175.9690 143 N 4.9703 7.9154 117.4560 51.4373 39.3265 172.3015 144 P 4.3612 0.0000 0.0000 62.9409 32.4936 177.0294 145 T 4.4811 8.1294 110.6874 61.0402 70.1210 173.4664 146 L 4.8353 7.2297 121.5280 52.9487 45.7381 174.7272 147 E 5.0852 8.5159 117.7415 54.8972 31.8869 176.3795 148 D 4.6872 8.4856 121.7877 52.5194 39.6959 176.4461 149 T 3.8609 8.2027 112.8291 64.0191 68.9550 176.3619 150 G 3.6897 7.7103 109.0425 47.0130 0.0000 173.3209 151 Y 4.1821 8.0943 122.3299 57.4164 38.7972 175.2502 152 Q 3.8166 8.3536 129.2770 54.4540 28.0794 174.7561 153 V 2.8009 7.6395 125.3338 63.2484 31.2240 175.1867 154 E 4.3898 8.2640 125.6550 56.1210 30.0078 176.2110 155 V 3.6369 7.7829 124.5760 64.1911 32.5723 173.1555 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 4.45 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 L 7.79 4.06 0.00 1.63 1.57 0.93 0.33 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 3 K 8.30 4.30 0.00 1.88 1.96 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.33 7.81 4 Q 8.50 4.89 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 5 V 8.68 4.80 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 1.01 0.00 0.00 0.79 0.00 0.00 6 E 9.19 5.01 0.00 2.01 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 2.18 2.28 0.00 7 I 8.17 5.02 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.53 0.91 0.00 0.00 8 F 9.25 5.40 0.00 3.00 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 9 T 8.57 5.33 4.33 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 1.31 0.00 0.00 10 D 8.90 4.68 0.00 2.85 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.96 4.54 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 0.00 0.00 0.00 12 S 8.44 4.91 0.00 3.91 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 13 C 8.59 5.09 0.00 2.95 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.98 4.49 0.00 1.52 1.66 0.96 0.82 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 15 G 7.48 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 16 N 8.39 4.97 0.00 2.66 2.68 0.00 0.00 6.83 7.69 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 17 P 0.00 4.68 0.00 2.13 2.01 0.00 3.93 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 18 G 8.21 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 0.00 0.00 0.00 19 P 0.00 4.85 0.00 2.09 2.00 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 20 G 9.34 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 0.00 0.00 0.00 0.00 21 G 9.23 4.70 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 0.00 0.00 0.00 22 Y 8.42 5.54 0.00 3.10 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 23 G 9.01 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.28 5.46 1.42 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 25 I 9.37 5.05 2.13 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 1.19 0.81 1.09 0.00 0.00 26 L 9.72 5.17 0.00 1.96 1.84 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.19 5.00 0.00 2.07 1.90 0.00 3.21 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 28 Y 9.10 4.68 0.00 2.88 2.38 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 29 R 8.60 4.29 0.00 1.32 1.59 0.00 2.84 0.00 0.00 2.99 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 30 G 8.37 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 31 R 7.79 4.01 0.00 1.96 1.94 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 32 E 8.48 5.13 0.00 1.94 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 0.00 2.19 2.37 0.00 33 K 9.57 4.52 0.00 1.75 1.44 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.34 7.81 34 T 8.18 5.05 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 35 F 9.45 5.05 0.00 3.06 3.13 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 0.00 0.00 0.00 36 S 8.55 5.07 0.00 3.82 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 37 A 7.07 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.76 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 0.00 0.00 0.00 0.00 39 Y 9.64 5.91 0.00 2.88 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 40 T 8.73 3.98 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 41 R 7.88 4.78 0.00 1.86 1.95 0.00 3.35 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 42 T 8.63 4.08 4.11 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 0.00 0.00 1.24 0.00 0.00 43 T 7.65 4.70 4.03 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 0.67 0.00 0.00 44 N 8.64 4.26 0.00 2.81 2.80 0.00 0.00 6.89 6.71 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 45 N 7.84 4.17 0.00 2.34 1.69 0.00 0.00 7.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.58 3.81 0.00 1.68 1.80 0.00 3.29 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 47 M 7.93 4.07 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.83 0.00 48 E 8.13 4.12 0.00 2.25 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 0.00 2.47 2.68 0.00 49 L 7.63 3.87 0.00 1.70 1.39 0.22 -0.44 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 50 M 8.14 3.63 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.59 0.00 51 A 7.61 3.54 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 52 A 7.58 3.93 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 53 I 7.76 3.51 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.82 0.00 0.00 54 V 7.49 3.30 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 0.50 0.00 0.00 0.71 0.00 0.00 55 A 7.28 3.43 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 56 L 7.83 3.81 0.00 1.82 1.66 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.38 4.16 0.00 1.76 1.94 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 2.30 2.44 0.00 58 A 7.26 4.32 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 59 L 7.25 4.13 0.00 1.71 1.54 0.51 0.76 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 60 K 8.53 4.38 0.00 1.70 1.82 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.35 7.81 61 E 7.45 4.62 0.00 1.96 1.83 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 2.08 2.18 0.00 62 H 8.57 4.38 0.00 3.16 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.85 5.17 0.00 2.68 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 64 E 8.98 4.77 0.00 1.99 1.79 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 2.14 2.17 0.00 65 V 8.55 4.61 1.80 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 0.70 0.00 0.00 0.70 0.00 0.00 66 I 8.14 4.34 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.06 0.84 0.00 0.00 67 L 7.77 4.59 0.00 1.09 0.70 0.39 0.42 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 68 S 8.54 5.40 0.00 3.84 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 69 T 8.42 5.07 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 1.65 0.00 0.00 70 D 8.84 5.35 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.03 4.47 0.00 4.24 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 72 Q 8.89 3.97 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 73 Y 8.04 4.20 0.00 3.14 3.09 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 0.00 74 V 8.12 3.80 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 1.16 0.00 0.00 1.03 0.00 0.00 75 R 7.61 2.51 0.00 1.46 1.45 0.00 2.26 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 8.08 3.55 0.00 1.89 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 77 G 7.80 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 0.00 0.00 0.00 78 I 7.52 3.62 1.52 0.00 0.00 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 1.78 0.06 0.56 0.00 0.00 79 T 7.35 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 80 Q 7.08 3.88 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.79 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 81 W 6.78 4.24 0.00 1.78 1.74 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 82 I 7.48 3.63 1.88 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.98 0.00 0.00 83 H 7.92 4.00 0.00 3.21 3.18 0.00 5.93 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 84 N 7.86 4.17 0.00 2.69 2.76 0.00 0.00 7.01 7.68 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 85 W 8.09 4.27 0.00 3.03 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 86 K 7.33 2.68 0.00 1.68 1.56 0.00 1.67 0.00 0.00 1.50 0.00 0.00 3.24 0.00 0.00 3.73 0.00 0.00 0.00 0.00 1.52 1.67 7.81 87 A 7.22 3.92 1.20 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 88 R 8.17 4.32 0.00 1.81 1.91 0.00 3.22 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 89 G 7.83 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 90 W 8.06 3.59 0.00 3.54 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 91 K 7.45 4.88 0.00 1.89 1.71 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.64 7.81 92 T 8.39 4.34 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 1.19 0.00 0.00 93 A 8.65 3.97 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 94 D 7.89 4.81 0.00 2.78 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 95 K 7.94 3.85 0.00 1.88 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.53 7.81 96 K 7.69 4.69 0.00 1.67 1.66 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.73 7.81 97 P 0.00 4.52 0.00 1.89 1.98 0.00 3.65 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 2.01 2.13 0.00 98 V 8.15 3.74 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 0.46 0.00 0.00 0.54 0.00 0.00 99 K 8.41 4.03 0.00 1.73 1.81 0.00 2.07 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.52 7.81 100 N 9.28 4.51 0.00 3.21 2.88 0.00 0.00 7.35 7.68 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 0.00 101 V 7.63 3.59 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 0.96 0.00 0.00 0.77 0.00 0.00 102 D 8.13 4.23 0.00 2.81 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 0.00 103 L 7.53 3.96 0.00 1.62 1.46 0.75 0.84 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 0.00 104 W 8.02 4.24 0.00 3.33 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 0.00 105 Q 8.00 3.34 0.00 1.71 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 106 R 7.49 3.90 0.00 1.92 1.90 0.00 3.06 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 107 L 8.22 3.91 0.00 1.76 1.97 1.05 1.26 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 0.00 108 D 8.82 4.66 0.00 3.35 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.04 4.02 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 0.00 110 A 7.84 4.10 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 0.00 111 L 8.60 4.06 0.00 2.02 1.91 1.37 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.07 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 0.00 113 Q 7.83 4.22 0.00 2.15 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.63 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 114 H 7.83 4.98 0.00 2.91 3.39 0.00 5.64 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 0.00 115 Q 8.74 4.33 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 116 I 8.14 4.47 1.74 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 -0.21 0.00 0.00 117 K 8.50 4.33 0.00 1.65 1.60 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.31 7.81 118 W 8.62 4.38 0.00 2.58 1.74 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 0.00 119 E 8.58 4.31 0.00 1.86 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 2.24 0.00 120 W 8.39 5.33 0.00 3.26 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 0.00 121 V 8.93 4.51 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 0.64 0.00 0.00 0.99 0.00 0.00 122 K 8.47 4.43 0.00 1.87 1.82 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.38 7.81 123 G 8.61 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 0.00 0.00 0.00 124 H 8.51 4.26 0.00 3.24 3.45 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.94 4.66 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.52 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 0.00 0.00 0.00 127 H 8.15 4.73 0.00 3.40 3.55 0.00 5.85 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 0.00 128 P 0.00 4.03 0.00 2.02 1.98 0.00 3.52 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 129 E 7.65 3.74 0.00 1.16 1.12 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 1.69 2.13 0.00 130 N 7.84 4.52 0.00 2.91 2.99 0.00 0.00 6.93 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.63 4.16 0.00 2.04 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 2.36 2.39 0.00 132 R 8.36 3.94 0.00 1.94 2.06 0.00 3.07 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 133 C 8.30 4.22 0.00 3.35 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 0.00 134 A 7.80 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.12 3.95 0.00 2.15 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 2.56 2.35 0.00 136 L 7.79 3.86 0.00 1.87 1.75 0.97 0.83 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 0.00 137 A 8.29 4.09 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 0.00 138 R 7.97 3.87 0.00 1.94 2.11 0.00 3.29 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 139 A 8.93 4.10 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 0.00 140 A 8.25 3.86 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.30 4.05 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 0.00 142 M 7.72 4.34 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.99 0.00 143 N 7.92 4.97 0.00 2.58 2.62 0.00 0.00 7.16 7.52 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 0.00 144 P 0.00 4.36 0.00 2.23 2.12 0.00 3.73 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 1.97 1.95 0.00 145 T 8.13 4.48 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 146 L 7.23 4.84 0.00 1.15 1.50 0.66 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.52 5.09 0.00 2.14 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 2.24 2.35 0.00 148 D 8.49 4.69 0.00 2.63 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 0.00 149 T 8.20 3.86 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 1.26 0.00 0.00 150 G 7.71 3.69 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 0.00 0.00 0.00 151 Y 8.09 4.18 0.00 2.95 3.04 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 0.00 152 Q 8.35 3.82 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 153 V 7.64 2.80 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 0.85 0.00 0.00 0.76 0.00 0.00 154 E 8.26 4.39 0.00 2.05 1.94 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 2.18 2.48 0.00 155 V 7.78 3.64 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 0.75 0.00 0.00 0.92 0.00 0.00