NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.8131 8.1316 122.4903 54.9817 42.7329 175.5957 6 R 4.2861 8.5074 124.9841 53.4526 32.0679 169.5303 7 V 5.0639 8.2176 124.9082 61.1262 34.2451 174.2674 8 R 4.7642 9.1802 123.4108 54.3112 33.4358 174.6336 9 R 4.3209 8.4273 118.1632 56.0985 30.7863 176.7463 10 A 4.5695 8.9346 124.3739 51.8884 19.2140 178.0927 11 S 4.4342 10.0324 116.6438 57.7917 64.2656 175.3071 12 S 4.1745 8.9306 115.4681 61.5205 61.9239 176.2962 13 W 4.3240 8.2821 130.3568 60.6351 30.5651 177.7056 14 E 3.6910 8.5528 118.8100 59.3005 28.8718 179.2210 15 L 3.7581 8.2992 119.4326 57.9412 41.6519 179.4252 16 D 4.2217 7.8596 118.7821 57.1511 40.7219 178.7941 17 L 3.6862 7.3284 119.5509 57.5389 41.5036 179.6902 18 I 2.9516 7.2844 119.7964 63.9886 36.8792 178.4291 19 L 3.9283 8.0852 120.1821 57.5490 41.1751 179.3769 20 K 3.8051 8.1044 119.0201 59.4554 32.4913 178.1756 21 E 4.0847 7.9924 118.7397 59.3571 29.5788 178.6471 22 A 4.3460 8.3232 120.8618 55.2174 18.2722 178.8865 23 E 4.6666 8.3459 116.5204 57.3614 29.7341 178.9146 24 K 3.8387 7.6514 118.1037 58.4421 32.1282 177.5896 25 Y 5.4356 8.2265 117.3867 57.0320 40.5039 176.2227 26 G 4.2576 7.7593 107.8157 46.4281 0.0000 170.7837 27 E 4.7522 8.2197 124.8514 54.2891 31.5773 175.4422 28 L 4.3957 8.4915 129.5713 55.1361 42.0518 176.3324 29 L 4.3081 9.2983 127.3240 55.8498 42.5360 176.5288 30 H 4.6707 8.0784 118.3597 54.1567 31.6136 173.2982 31 E 3.9606 7.8228 126.0476 56.4043 30.6090 175.5144 32 F 4.6564 6.7776 117.4069 55.4208 41.6424 174.8548 33 F 5.5464 9.0169 120.8128 56.1206 43.7163 173.3737 34 C 5.5530 9.7024 118.8879 58.0860 32.3771 172.9569 35 V 5.0701 9.6251 120.6422 61.3129 34.6940 174.4234 36 V 4.6477 9.1314 128.1351 61.2875 33.1957 174.7900 37 E 4.4153 9.2429 129.6680 55.8117 28.7836 176.6435 38 G 4.2875 8.7475 121.8941 45.2200 0.0000 173.9167 39 K 3.8932 9.0059 122.4114 57.1078 31.9615 173.6754 40 Y 4.8047 7.6533 114.8963 55.6575 41.8426 174.4487 41 R 4.8831 8.4099 118.8966 55.8823 31.1156 175.7228 42 D 5.4693 9.4476 125.6019 53.2988 43.0291 175.8564 43 V 5.0682 9.6965 124.1405 61.6398 33.8946 173.9223 44 Y 5.3044 9.6801 125.1016 56.1194 41.4019 174.6093 45 A 4.5193 9.5621 126.5954 51.7055 19.6439 176.8701 46 V 4.9191 8.4429 115.9234 59.2359 35.5723 175.5294 47 N 4.7539 8.5801 119.9789 51.9323 38.6801 175.7511 48 E 2.5729 8.4238 118.3167 58.8888 29.3480 178.2096 49 E 3.8459 8.0095 118.8749 59.2861 29.7026 178.8643 50 V 3.5872 8.5176 118.7593 65.5602 31.3571 177.6292 51 W 4.0707 8.1917 127.5539 60.4643 30.6638 177.8729 52 K 4.0726 8.4332 118.4589 59.5445 31.5022 179.3760 53 I 3.6541 8.0351 120.4959 64.4057 36.8522 178.1831 54 I 4.3058 7.7704 121.6768 63.3135 37.7438 177.9811 55 E 3.9579 7.4804 118.8902 61.0901 29.6046 182.8240 56 D 4.8322 7.8668 117.3858 54.5531 42.6316 176.8047 57 I 4.4653 7.7599 120.1475 58.8093 39.7301 174.6189 58 N 4.6178 8.7121 124.0363 54.0142 39.4778 173.6340 59 M 4.9037 8.0382 122.1400 53.5851 36.3523 175.2570 60 R 4.3717 8.2992 119.3049 54.7787 31.7337 175.9429 61 P 3.8655 0.0000 0.0000 65.9474 31.3450 178.1473 62 Y 4.4675 8.1878 113.6242 58.7632 37.9290 176.3320 63 S 4.5422 8.1976 115.8825 58.5466 64.0500 175.1632 64 L 4.2354 8.1867 121.2471 57.1772 42.5727 176.0480 65 G 4.0776 7.2009 107.1210 45.3184 0.0000 173.8953 66 T 4.7031 9.1790 124.4179 61.2608 70.7417 173.3814 67 F 3.9446 8.9594 129.8194 58.3452 39.8242 174.9103 68 V 4.3530 9.6556 117.7902 60.5869 34.0240 176.4866 69 G 3.4366 5.4469 107.7920 44.4367 0.0000 171.6432 70 T 5.2403 7.9687 115.5474 61.9974 73.3161 173.3941 71 I 5.0539 9.3285 126.3826 60.3561 39.1370 175.1988 72 R 5.0719 9.1506 124.7374 54.6224 35.2997 174.0471 73 V 4.6759 8.5101 120.9950 62.2242 32.6468 176.0956 74 D 4.8460 9.1549 131.0156 53.2125 41.3648 177.0044 75 E 3.9972 8.9995 116.3581 59.9772 29.7082 173.6944 76 N 4.8478 8.3650 113.2396 51.6359 37.5862 177.5225 77 L 3.7840 7.6445 116.2906 57.0586 39.8808 174.4434 78 V 4.5507 8.4118 118.0454 60.9467 34.1259 174.4106 79 E 4.7798 9.2666 130.1920 57.0708 30.2475 176.9778 80 K 4.6052 9.4385 127.1764 53.1778 36.5102 172.1554 81 F 4.9639 8.4972 124.5285 57.6499 40.5608 174.6051 82 Y 4.1183 8.7479 125.2075 55.3312 39.0197 173.4296 83 P 4.0188 0.0000 0.0000 62.1534 32.4959 175.9960 84 N 4.7341 8.5173 120.3296 51.5084 39.5588 175.6369 85 L 4.3625 8.6445 119.5912 58.1349 42.5768 178.4977 86 E 4.0535 8.0473 119.5279 58.9415 29.3395 178.2993 87 F 4.1799 8.4089 120.7338 61.4400 39.4016 177.0821 88 F 3.8289 8.2050 116.9935 59.6583 38.4781 177.2760 89 S 4.3394 7.7577 112.8456 60.1192 63.0551 175.2504 90 L 4.2974 7.7554 122.6694 54.0749 41.5873 175.3693 91 I 4.7392 6.7964 119.9428 59.0368 40.0287 175.3897 92 K 4.1516 9.2540 129.0517 55.7517 32.6883 175.5058 93 L 4.7879 8.3963 130.5078 55.2199 42.2142 176.2017 94 E 4.9524 9.8564 124.1043 56.4572 32.7610 175.4636 95 K 4.2817 8.5765 116.3713 56.5076 35.6885 174.1228 96 N 4.5219 8.7901 114.6752 54.2944 36.2220 172.8782 97 Y 5.5987 6.8157 114.7359 55.8183 42.7651 175.6931 98 V 5.0408 9.0822 112.4279 59.7783 36.5426 174.6159 99 I 4.9790 9.1355 123.6919 59.6663 39.7823 174.8335 100 L 5.1335 8.6087 126.6179 52.4869 44.4345 176.5970 101 G 3.9292 8.5987 109.2324 45.7287 0.0000 172.9866 102 P 4.7139 0.0000 0.0000 65.1105 31.2793 178.9848 103 K 4.0088 8.0409 117.5230 59.3723 32.1510 179.0633 104 A 4.1267 8.0556 120.4744 55.1195 18.3403 179.6882 105 S 4.0733 8.5869 114.1532 61.7201 62.7557 176.3700 106 F 4.0790 8.2969 122.0550 61.6303 39.4544 176.7726 107 L 3.9967 8.2474 118.3076 57.7861 41.3730 179.2731 108 F 4.4805 8.9092 122.5949 60.9014 39.1095 177.1210 109 T 3.9997 7.6360 108.0373 63.8214 68.6668 175.5814 110 T 4.1947 7.2132 111.4987 61.5334 69.1580 175.2838 111 G 3.7089 7.6826 109.8073 45.1543 0.0000 173.8743 112 K 4.2759 7.3736 118.7443 55.4951 33.6846 176.4081 113 D 5.1143 8.6299 122.5988 54.4331 42.1694 175.1270 114 A 5.0431 9.2616 121.9778 49.5569 21.8223 174.9697 115 P 5.0090 0.0000 0.0000 61.3079 32.7045 177.2928 116 K 3.7147 9.2497 121.6236 59.4111 32.1227 179.0202 117 E 3.8647 8.0390 115.2820 58.7172 29.9334 177.7303 118 A 4.0323 7.8705 122.2091 53.8576 18.7288 177.0156 119 V 4.1600 7.6392 116.3160 62.8622 31.1810 175.8682 120 R 4.2735 9.1266 128.2724 58.7179 30.9218 176.9063 121 E 4.8049 7.8788 117.7174 55.0020 33.2136 173.7971 122 I 4.9550 8.4250 127.5507 60.0034 41.5074 175.3783 123 K 4.4391 8.7672 132.0024 52.9014 34.0740 171.9057 124 W 4.9437 8.6597 135.0000 55.0642 32.9584 175.2780 125 Q 4.0846 9.7383 123.1695 54.5089 29.6488 174.7778 126 G 2.5625 5.3800 113.4084 45.1815 0.0000 174.8728 127 S 4.0393 7.2305 117.4172 58.8918 63.1305 174.3374 128 K 4.2984 9.0611 130.9497 58.5482 32.3969 174.7828 129 R 5.0077 8.0536 119.0801 55.1773 31.2059 176.4803 130 V 4.9724 9.0163 117.0393 59.3096 35.6378 175.1770 131 V 3.6889 8.6856 124.1004 62.7899 32.8062 174.8067 132 V 4.4509 8.6313 128.4073 61.3425 33.0904 174.3391 133 L 5.1902 8.8894 128.4327 53.0198 44.6536 177.0502 134 N 5.4079 9.0429 119.7588 51.6325 38.7960 174.9968 135 D 4.5985 8.5960 115.8155 54.7403 39.8944 176.9940 136 L 4.4506 8.1016 118.9276 54.4778 41.9643 177.1301 137 G 3.8539 8.1412 106.7625 45.6507 0.0000 173.4405 138 D 4.7194 8.1709 119.8818 52.4341 42.1833 176.1069 139 I 4.1694 8.2377 124.3285 61.5353 37.5160 175.9721 140 I 4.3488 9.5114 118.6296 59.6016 39.1083 175.8000 141 G 4.2366 6.5832 107.5742 46.1343 0.0000 170.4997 142 I 4.8220 8.0170 119.6043 59.3821 40.8436 175.4030 143 G 4.5666 9.3158 112.1621 44.3940 0.0000 170.9757 144 L 5.1984 9.1296 124.1907 52.8750 43.9236 175.6255 145 I 3.8354 8.3588 127.5857 60.4249 38.8130 175.5209 146 N 4.8812 7.6917 124.9849 50.6435 38.5779 172.8131 147 P 4.1429 0.0000 0.0000 65.9047 32.1576 178.8871 148 K 4.2109 7.8899 118.0537 56.5626 32.2256 180.7410 149 S 4.4940 7.9821 112.1091 58.4389 63.2408 172.5802 150 D 4.7588 8.6526 124.7462 56.8215 42.4349 179.9640 151 R 4.1553 8.0121 116.7995 58.5092 29.6429 179.5177 152 R 4.6460 7.4449 116.5908 55.3739 31.3116 176.7314 153 F 4.3738 8.7618 122.2223 61.0620 40.8079 174.2165 154 I 4.4391 8.4352 124.1504 59.9334 38.8230 175.8580 155 K 4.6836 9.1334 132.5106 54.3795 33.0157 172.7829 156 N 4.4990 9.6499 125.4381 53.3269 38.6904 173.8502 157 L 4.5834 8.8310 128.4643 56.5993 43.4806 177.9211 158 K 4.7268 7.8747 122.8896 54.3660 36.4355 178.4573 159 D 5.3110 8.3081 120.4677 53.0303 40.7200 174.2879 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 5 L 8.13 4.81 0.00 1.45 1.55 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.51 4.29 0.00 1.97 1.94 0.00 3.09 0.00 0.00 3.60 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 7 V 8.22 5.06 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 0.80 0.00 0.00 0.91 0.00 0.00 8 R 9.18 4.76 0.00 1.83 1.95 0.00 2.88 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 9 R 8.43 4.32 0.00 1.68 1.97 0.00 3.02 0.00 0.00 2.71 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 10 A 8.93 4.57 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 11 S 10.03 4.43 0.00 4.12 4.13 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 12 S 8.93 4.17 0.00 3.99 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 13 W 8.28 4.32 0.00 3.41 3.11 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 0.00 14 E 8.55 3.69 0.00 2.32 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 2.37 2.50 0.00 15 L 8.30 3.76 0.00 1.80 1.66 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.86 4.22 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.33 3.69 0.00 1.46 1.43 0.61 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.28 2.95 1.34 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 -0.12 0.00 0.00 19 L 8.09 3.93 0.00 1.64 1.63 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.10 3.81 0.00 1.63 1.87 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.37 7.81 21 E 7.99 4.08 0.00 2.16 2.18 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 2.26 2.61 0.00 22 A 8.32 4.35 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 23 E 8.35 4.67 0.00 1.94 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 2.50 2.39 0.00 24 K 7.65 3.84 0.00 0.88 1.12 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.53 7.81 25 Y 8.23 5.44 0.00 3.35 3.15 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 26 G 7.76 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 27 E 8.22 4.75 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 28 L 8.49 4.40 0.00 1.67 1.56 0.89 1.12 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 29 L 9.30 4.31 0.00 1.62 1.67 0.90 1.22 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 30 H 8.08 4.67 0.00 2.99 3.14 0.00 5.91 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 31 E 7.82 3.96 0.00 1.27 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 1.53 1.86 0.00 32 F 6.78 4.66 0.00 3.15 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 33 F 9.02 5.55 0.00 3.10 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 34 C 9.70 5.55 0.00 2.98 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 35 V 9.63 5.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.09 0.00 0.00 36 V 9.13 4.65 2.32 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 1.02 0.00 0.00 0.74 0.00 0.00 37 E 9.24 4.42 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 2.40 2.47 0.00 38 G 8.75 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 0.00 0.00 0.00 0.00 39 K 9.01 3.89 0.00 1.79 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.05 7.81 40 Y 7.65 4.80 0.00 3.10 2.92 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 41 R 8.41 4.88 0.00 2.15 2.04 0.00 3.49 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 42 D 9.45 5.47 0.00 2.92 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 43 V 9.70 5.07 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 0.96 0.00 0.00 0.96 0.00 0.00 44 Y 9.68 5.30 0.00 3.10 3.06 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 45 A 9.56 4.52 1.14 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 0.00 0.00 46 V 8.44 4.92 2.19 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 0.98 0.00 0.00 1.23 0.00 0.00 47 N 8.58 4.75 0.00 2.94 2.98 0.00 0.00 5.60 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 48 E 8.42 2.57 0.00 1.31 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 2.09 1.48 0.00 49 E 8.01 3.85 0.00 2.03 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 0.00 2.35 2.34 0.00 50 V 8.52 3.59 2.23 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 1.10 0.00 0.00 0.97 0.00 0.00 51 W 8.19 4.07 0.00 3.35 3.20 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 52 K 8.43 4.07 0.00 2.09 1.84 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.76 7.81 53 I 8.04 3.65 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.87 0.00 0.00 54 I 7.77 4.31 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.68 0.68 0.00 0.00 55 E 7.48 3.96 0.00 2.07 1.85 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 2.26 2.22 0.00 56 D 7.87 4.83 0.00 2.61 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 57 I 7.76 4.47 1.84 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 1.16 0.93 0.89 0.00 0.00 58 N 8.71 4.62 0.00 2.64 2.70 0.00 0.00 6.97 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.04 4.90 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 60 R 8.30 4.37 0.00 2.11 1.80 0.00 3.28 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 61 P 0.00 3.87 0.00 2.18 2.02 0.00 3.53 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 2.08 1.97 0.00 62 Y 8.19 4.47 0.00 3.09 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 63 S 8.20 4.54 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.19 4.24 0.00 1.64 1.69 0.27 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.20 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 0.00 0.00 0.00 66 T 9.18 4.70 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 1.27 0.00 0.00 67 F 8.96 3.94 0.00 2.34 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 9.66 4.35 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.23 0.00 0.00 69 G 5.45 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.97 5.24 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 1.42 0.00 0.00 71 I 9.33 5.05 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 1.09 0.00 0.00 72 R 9.15 5.07 0.00 1.81 1.89 0.00 2.44 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.38 0.00 73 V 8.51 4.68 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.06 0.00 0.00 74 D 9.15 4.85 0.00 2.99 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 75 E 9.00 4.00 0.00 2.01 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 2.23 1.88 0.00 76 N 8.37 4.85 0.00 2.73 2.71 0.00 0.00 6.69 7.79 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 77 L 7.64 3.78 0.00 1.81 1.82 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.41 4.55 2.43 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 1.13 0.00 0.00 1.05 0.00 0.00 79 E 9.27 4.78 0.00 2.29 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 2.53 2.68 0.00 80 K 9.44 4.61 0.00 1.34 1.60 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.22 7.81 81 F 8.50 4.96 0.00 2.68 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 82 Y 8.75 4.12 0.00 2.80 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 83 P 0.00 4.02 0.00 1.89 1.23 0.00 3.45 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 84 N 8.52 4.73 0.00 2.83 2.86 0.00 0.00 6.70 6.23 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 85 L 8.64 4.36 0.00 1.80 1.78 0.81 0.78 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 86 E 8.05 4.05 0.00 2.23 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 2.35 2.39 0.00 87 F 8.41 4.18 0.00 3.34 2.86 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 88 F 8.20 3.83 0.00 3.34 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 89 S 7.76 4.34 0.00 4.04 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 90 L 7.76 4.30 0.00 1.30 1.62 1.07 0.55 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 91 I 6.80 4.74 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.08 1.04 0.00 0.00 92 K 9.25 4.15 0.00 1.81 1.82 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.43 7.81 93 L 8.40 4.79 0.00 1.67 1.45 1.26 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.86 4.95 0.00 1.85 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 2.27 2.45 0.00 95 K 8.58 4.28 0.00 1.80 1.87 0.00 1.48 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.54 7.81 96 N 8.79 4.52 0.00 2.99 2.98 0.00 0.00 6.92 8.28 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 97 Y 6.82 5.60 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 9.08 5.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 99 I 9.14 4.98 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.06 1.00 0.00 0.00 100 L 8.61 5.13 0.00 1.45 1.56 0.71 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.60 3.93 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 0.00 0.00 0.00 102 P 0.00 4.71 0.00 2.30 2.57 0.00 3.89 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 2.09 1.93 0.00 103 K 8.04 4.01 0.00 1.87 1.96 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.53 7.81 104 A 8.06 4.13 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 0.00 105 S 8.59 4.07 0.00 4.12 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 0.00 106 F 8.30 4.08 0.00 3.06 3.37 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 0.00 107 L 8.25 4.00 0.00 1.82 1.74 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.91 4.48 0.00 3.29 3.20 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 0.00 109 T 7.64 4.00 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 1.27 0.00 0.00 110 T 7.21 4.19 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 111 G 7.68 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 0.00 112 K 7.37 4.28 0.00 1.68 1.71 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.40 7.81 113 D 8.63 5.11 0.00 2.59 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 0.00 114 A 9.26 5.04 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 0.00 115 P 0.00 5.01 0.00 2.25 2.31 0.00 3.95 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 116 K 9.25 3.71 0.00 1.28 1.61 0.00 1.07 0.00 0.00 0.99 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.02 0.27 7.81 117 E 8.04 3.86 0.00 2.09 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 2.26 2.31 0.00 118 A 7.87 4.03 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 0.00 119 V 7.64 4.16 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 0.89 0.00 0.00 1.10 0.00 0.00 120 R 9.13 4.27 0.00 1.83 1.99 0.00 3.26 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 121 E 7.88 4.80 0.00 2.07 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 2.37 2.36 0.00 122 I 8.43 4.95 1.96 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 1.33 1.14 0.95 0.00 0.00 123 K 8.77 4.44 0.00 1.43 1.65 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.22 7.81 124 W 8.66 4.94 0.00 3.19 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 0.00 125 Q 9.74 4.08 0.00 1.62 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 126 G 5.38 2.56 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 0.00 0.00 0.00 127 S 7.23 4.04 0.00 3.59 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 0.00 128 K 9.06 4.30 0.00 1.49 1.81 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.45 1.06 7.81 129 R 8.05 5.01 0.00 1.88 2.01 0.00 3.17 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 130 V 9.02 4.97 2.29 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 0.96 0.00 0.00 0.94 0.00 0.00 131 V 8.69 3.69 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 0.80 0.00 0.00 0.26 0.00 0.00 132 V 8.63 4.45 1.70 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 0.11 0.00 0.00 0.60 0.00 0.00 133 L 8.89 5.19 0.00 1.62 1.46 0.53 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 134 N 9.04 5.41 0.00 2.93 2.99 0.00 0.00 6.64 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 0.00 135 D 8.60 4.60 0.00 2.86 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.10 4.45 0.00 1.80 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.14 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 0.00 138 D 8.17 4.72 0.00 2.81 2.57 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 0.00 139 I 8.24 4.17 1.85 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 1.38 0.41 0.81 0.00 0.00 140 I 9.51 4.35 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.98 0.00 0.00 141 G 6.58 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.02 4.82 1.79 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.60 0.88 0.00 0.00 143 G 9.32 4.57 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 0.00 144 L 9.13 5.20 0.00 1.71 1.51 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.36 3.84 1.61 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.08 0.88 0.00 0.00 146 N 7.69 4.88 0.00 2.68 2.60 0.00 0.00 7.11 7.84 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 0.00 147 P 0.00 4.14 0.00 1.96 1.89 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 148 K 7.89 4.21 0.00 1.77 1.71 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 0.99 7.81 149 S 7.98 4.49 0.00 3.86 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 0.00 150 D 8.65 4.76 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 8.01 4.16 0.00 1.73 1.94 0.00 3.18 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 152 R 7.44 4.65 0.00 1.73 1.93 0.00 3.16 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 153 F 8.76 4.37 0.00 3.25 3.15 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 0.00 154 I 8.44 4.44 1.96 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.93 0.00 0.00 155 K 9.13 4.68 0.00 1.40 1.69 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.26 7.81 156 N 9.65 4.50 0.00 2.30 2.50 0.00 0.00 7.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.83 4.58 0.00 1.82 1.68 0.92 0.89 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 0.00 158 K 7.87 4.73 0.00 1.38 1.59 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.00 7.81 159 D 8.31 5.31 0.00 2.63 2.37 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