NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7587 8.2085 109.7347 44.0035 0.0000 176.1844 2 A 3.6754 8.7246 124.8490 51.6694 17.9291 176.1839 3 L 4.3287 7.6278 115.8678 56.1903 40.3591 172.5778 4 T 4.3280 8.8404 113.3585 60.5378 71.7001 175.5302 5 E 3.9188 8.5947 121.6473 59.2751 29.4477 178.8654 6 S 4.1977 7.9883 113.9917 61.2219 63.4358 176.3322 7 Q 3.9743 8.2458 121.5574 58.5843 28.3812 178.3740 8 A 4.0211 8.2801 121.8351 54.7684 18.3194 179.5088 9 A 4.0717 7.8165 119.4377 54.9347 18.4240 179.9785 10 L 3.9962 7.6379 118.0233 58.0681 41.7489 179.7232 11 V 3.7995 7.7923 119.5290 65.1285 31.3252 177.9529 12 K 4.0582 8.1971 119.4936 59.6075 32.1646 178.6870 13 S 4.1714 7.9527 113.7478 61.5703 62.2449 176.3505 14 S 4.3590 8.3432 116.8369 61.1798 62.8419 176.2094 15 W 4.3576 9.3506 132.4605 60.1945 30.0933 177.9508 16 E 3.3213 8.0929 118.1697 59.1773 28.7187 178.6825 17 E 4.0001 8.1001 118.5521 59.2212 29.3695 179.2255 18 F 3.9074 8.0014 120.7212 61.2011 39.2188 176.4568 19 N 4.0599 7.3494 113.9257 55.1695 38.7379 176.0931 20 A 4.0344 7.0013 119.8417 54.0514 19.9578 177.3858 21 N 4.7142 7.7419 115.9463 50.7643 39.8673 174.3623 22 I 3.2477 7.5791 124.1790 64.0379 37.5876 176.1844 23 P 4.2057 0.0000 0.0000 64.8186 31.2051 178.7618 24 K 3.8981 7.6230 118.2724 59.8724 32.3092 178.5335 25 H 4.2437 7.9503 117.0186 58.9260 28.5753 177.9671 26 T 4.1127 8.0038 111.8778 65.2244 68.5913 176.1506 27 H 4.4392 8.1977 121.2406 58.6992 29.8870 177.2355 28 R 3.8817 8.2160 120.8005 59.2392 29.9308 178.1398 29 F 4.2267 8.5410 120.4695 61.6430 39.5245 177.0666 30 F 3.4267 8.0297 116.8754 60.4642 38.6356 177.8225 31 I 3.7551 7.7536 119.4657 64.1734 36.7345 178.4261 32 L 3.9782 7.6827 119.9287 57.1995 41.4474 179.5030 33 V 3.3596 7.3943 118.4096 66.0944 31.2334 178.2254 34 L 4.2419 7.6166 116.7996 57.4969 41.4817 178.9929 35 E 4.1042 8.1154 118.1744 58.9179 29.4323 178.5905 36 I 4.3058 7.2336 118.7235 62.3755 38.1816 175.9164 37 A 4.3848 8.0000 121.7427 49.6517 20.2739 174.6506 38 P 4.3229 0.0000 0.0000 66.2071 31.4144 178.3444 39 A 4.1000 8.0806 118.8045 54.6145 18.3391 178.9646 40 A 4.1893 8.1221 119.2665 54.5007 18.3584 179.5567 41 K 4.1345 8.1278 118.8696 59.5823 32.0861 178.3646 42 D 4.5125 7.6197 116.4792 56.5929 40.7156 178.2509 43 L 3.9828 7.7368 119.2940 55.4167 41.7973 176.9186 44 F 4.4090 7.5800 118.8186 55.1206 40.0855 176.9688 45 S 4.0960 8.4453 121.1848 60.9676 62.9214 175.1747 46 F 4.5955 7.5399 113.3787 57.3802 38.5222 175.7734 47 L 4.5276 7.3172 120.9172 55.5605 43.2597 176.7409 48 K 4.1072 8.0832 119.1418 58.0314 32.1226 176.6178 49 G 4.0102 9.0104 112.8547 45.6086 0.0000 173.3986 50 T 4.2246 7.3072 109.1235 61.5686 69.9212 173.4981 51 S 4.5134 8.6377 113.3072 59.5715 63.8935 173.7140 52 E 4.5500 7.7257 117.1836 54.0626 31.1691 175.8257 53 V 3.5978 8.2718 121.0844 62.3329 31.5051 174.1213 54 P 4.3110 0.0000 0.0000 63.7502 31.1891 176.0821 55 Q 4.4964 8.5298 117.7193 56.2758 30.3563 175.2944 56 N 5.1259 7.6700 114.8125 51.6780 39.7645 174.5875 57 N 4.6748 7.7845 116.9154 51.6761 40.8967 172.3927 58 P 4.2331 0.0000 0.0000 65.7283 31.3505 178.4719 59 E 3.6891 8.3044 118.7862 58.7830 29.3355 178.4900 60 L 2.7909 7.2320 119.7819 58.0307 41.9501 179.0490 61 Q 3.9856 7.8107 117.3989 58.9417 28.5116 178.6288 62 A 4.0737 7.7482 121.3658 55.3697 18.2743 179.5125 63 H 4.4299 8.5743 114.7486 59.2274 28.4842 177.9170 64 A 4.3127 8.7691 123.0536 55.2861 18.0422 179.9469 65 G 3.8967 8.4894 104.3799 47.8956 0.0000 176.1540 66 K 4.1639 8.0387 119.5010 59.1870 32.0927 179.1693 67 V 3.6896 7.7433 118.7830 66.5599 31.3846 178.3083 68 F 4.0212 8.2507 116.3849 60.1636 38.7285 177.7019 69 K 3.9137 8.3203 119.7163 59.2933 32.1173 178.9605 70 L 3.9649 7.7953 119.3420 57.5054 41.6072 179.3991 71 V 3.5554 7.6762 117.8416 66.1391 31.5858 177.4229 72 Y 3.8032 7.9824 119.1861 60.7592 38.5829 178.0392 73 E 3.0288 7.6387 118.8984 58.7208 29.3686 179.0650 74 A 3.8040 7.5906 120.4305 55.0678 18.3741 179.5562 75 A 3.7529 7.5906 119.1038 55.1723 18.2837 180.0292 76 I 3.5435 7.1998 118.0181 64.4459 37.1534 178.4050 77 Q 3.8256 7.8194 120.4100 59.1146 28.8084 178.3745 78 L 4.0280 8.0415 120.2363 57.4883 41.3467 179.0011 79 E 3.9383 7.8998 118.8658 58.8602 29.6157 178.7711 80 V 3.6661 7.8452 118.1056 65.8777 31.8288 177.3984 81 T 4.2907 7.9291 107.5974 61.6231 69.7098 175.6533 82 G 3.9873 8.8105 109.2389 44.9758 0.0000 173.1351 83 V 4.4147 7.1973 110.7863 59.4850 35.6948 174.7310 84 V 3.9493 8.0428 120.7943 61.4095 31.9918 175.3052 85 V 3.7941 8.1183 127.6987 62.1393 31.7239 175.7767 86 T 4.0600 8.3884 125.1136 63.1758 67.4742 173.5744 87 D 4.8016 8.0936 126.6743 50.9596 42.3896 177.0286 88 A 3.9965 8.6120 119.6950 56.0671 17.8350 179.8671 89 T 3.8454 7.8085 113.3688 66.8474 68.6373 176.8208 90 L 4.0070 8.0831 120.8765 57.6334 41.1115 179.7022 91 K 4.0471 8.0122 118.0539 59.1302 31.9889 178.4742 92 N 4.5033 8.0724 117.1509 56.0063 38.7876 177.0009 93 L 4.1662 8.3020 121.1262 57.7215 41.7301 179.6376 94 G 3.7084 8.0005 105.2021 47.3206 0.0000 175.9648 95 S 4.0894 7.6993 114.6939 61.4397 62.5526 176.4335 96 V 3.6328 7.8953 121.8866 65.3904 30.8652 178.0315 97 H 4.1617 8.0611 116.6922 58.5160 28.4612 177.8654 98 V 3.6489 7.7478 119.6845 66.2043 31.1170 178.3432 99 S 4.1321 7.8725 113.9523 61.1955 62.7613 175.9528 100 K 4.2428 7.9112 118.5772 56.2739 31.9421 177.4341 101 G 3.8056 8.0581 107.7590 46.0812 0.0000 173.9620 102 V 3.7534 7.7218 118.7938 61.9762 32.3142 175.0953 103 A 4.9501 8.6062 128.0122 49.8465 22.2116 176.5738 104 D 4.7124 8.9184 118.5054 57.8877 40.8345 178.9178 105 A 4.3992 7.9244 118.5278 53.4787 19.1850 178.4274 106 H 4.4330 8.3660 114.5536 58.6311 28.6058 177.5661 107 F 4.1142 8.4080 119.7110 60.2348 38.6301 175.9466 108 P 4.3165 0.0000 0.0000 65.1626 31.3043 178.3133 109 V 3.5239 7.6756 117.0746 66.2938 31.4407 178.2671 110 V 3.5961 7.6382 117.2462 65.5712 31.3485 178.0497 111 K 2.8217 7.9455 119.7859 59.1584 31.9393 178.7557 112 E 3.8713 8.2629 118.8145 59.1630 29.2993 179.2671 113 A 3.9545 7.7394 120.6849 55.1581 18.4530 179.7843 114 I 3.7792 8.3048 118.7117 64.5278 37.0621 178.7572 115 L 4.0387 8.1611 120.1970 57.4753 41.4486 179.7193 116 K 3.8832 8.3926 118.8695 59.6970 31.9772 179.3033 117 T 3.8850 7.8266 115.9207 67.0955 68.4909 176.7873 118 I 3.5792 8.1970 121.4645 63.7376 36.7979 178.5019 119 K 3.8772 8.1972 121.1437 59.4513 31.7438 178.7737 120 E 3.9301 7.7867 118.0051 59.2208 29.4640 179.1308 121 V 3.6582 7.7753 117.7463 65.3780 31.9591 177.6520 122 V 4.3698 8.2626 110.4085 59.2398 32.5329 178.2160 123 G 3.8565 8.3527 107.9561 46.3835 0.0000 177.0340 124 A 4.2429 8.8327 128.0671 53.7956 18.2087 178.8805 125 K 4.3156 7.8007 113.6905 56.6194 32.3856 177.3246 126 W 4.3559 8.1219 130.4074 57.3456 31.4008 175.5849 127 S 4.4897 7.1636 118.1495 55.6471 67.0162 175.0865 128 E 3.4690 8.2639 121.5873 59.3569 29.2417 178.8815 129 E 3.8295 8.0701 118.8684 59.4002 29.4567 178.7149 130 L 3.9282 7.6198 119.9523 58.1425 42.3639 178.2960 131 N 4.4997 7.6022 117.2767 56.6941 38.9095 176.9884 132 S 4.1541 8.1032 115.5910 61.3940 63.2300 176.3400 133 A 3.9851 7.9253 124.5535 54.6297 18.0085 179.5722 134 W 4.0645 8.4666 117.3065 59.6423 29.2142 179.1704 135 T 4.0538 8.0910 115.8418 66.6125 67.8281 176.6868 136 I 3.6920 7.7584 121.1425 64.4769 37.1577 178.1430 137 A 3.9010 8.0635 121.4137 55.5169 18.1370 179.1296 138 Y 3.9301 8.5123 118.0696 60.7475 38.7761 177.4940 139 D 4.4820 8.4298 119.8269 57.6234 40.7418 178.7099 140 E 3.9243 8.4700 119.3459 59.3338 29.4596 179.2571 141 L 3.6946 8.0812 120.2789 57.8819 42.0904 178.8811 142 A 3.7090 8.1599 121.2875 54.7889 17.6820 179.5836 143 I 3.5150 7.3665 118.3420 64.3951 37.0853 178.8066 144 V 3.5727 7.0972 118.6658 65.9161 31.4090 178.2395 145 I 3.6900 7.5961 119.5598 64.2999 36.7598 178.6351 146 K 3.7570 7.7545 119.3675 58.8355 31.7070 179.4195 147 K 3.8499 7.4182 119.0670 59.6506 32.2180 178.8767 148 E 4.0481 8.0236 118.5433 59.2661 29.0145 179.4252 149 M 4.2369 7.9429 118.5494 58.5000 32.4790 178.0947 150 D 4.4983 7.8475 119.0143 57.5538 40.7989 178.5841 151 D 4.4006 7.9541 117.9391 56.8866 40.8697 177.9157 152 A 4.3228 7.6770 118.7293 52.6258 19.1006 177.0281 153 A 4.1721 7.6700 124.8188 52.1999 18.7890 177.2492 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 G 8.21 3.76 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 0.00 2 A 8.72 3.68 1.39 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 0.00 0.00 0.00 3 L 7.63 4.33 0.00 1.67 2.01 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.84 4.33 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 1.30 0.00 0.00 5 E 8.59 3.92 0.00 2.04 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 2.38 2.36 0.00 6 S 7.99 4.20 0.00 4.09 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 0.00 7 Q 8.25 3.97 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 8 A 8.28 4.02 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 9 A 7.82 4.07 1.39 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 0.00 0.00 0.00 10 L 7.64 4.00 0.00 1.89 1.77 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.79 3.80 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 0.62 0.00 0.00 0.55 0.00 0.00 12 K 8.20 4.06 0.00 2.11 1.92 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.67 1.66 7.81 13 S 7.95 4.17 0.00 4.00 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 14 S 8.34 4.36 0.00 4.46 4.45 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 15 W 9.35 4.36 0.00 3.61 3.05 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 16 E 8.09 3.32 0.00 2.10 1.89 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 2.37 2.63 0.00 17 E 8.10 4.00 0.00 2.22 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 2.32 2.52 0.00 18 F 8.00 3.91 0.00 2.87 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 19 N 7.35 4.06 0.00 1.47 2.13 0.00 0.00 7.26 7.62 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 20 A 7.00 4.03 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 21 N 7.74 4.71 0.00 2.42 2.00 0.00 0.00 7.00 8.42 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 22 I 7.58 3.25 1.73 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.63 0.87 0.00 0.00 23 P 0.00 4.21 0.00 2.06 2.19 0.00 3.44 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 2.01 2.05 0.00 24 K 7.62 3.90 0.00 1.66 1.70 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.45 7.81 25 H 7.95 4.24 0.00 2.11 2.86 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.00 4.11 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 1.31 0.00 0.00 27 H 8.20 4.44 0.00 3.35 3.62 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.22 3.88 0.00 2.13 2.17 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 29 F 8.54 4.23 0.00 3.47 3.48 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 30 F 8.03 3.43 0.00 3.23 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 31 I 7.75 3.76 1.99 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 1.54 0.84 0.88 0.00 0.00 32 L 7.68 3.98 0.00 1.75 1.60 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.39 3.36 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 0.95 0.00 0.00 -0.01 0.00 0.00 34 L 7.62 4.24 0.00 1.64 1.71 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.12 4.10 0.00 2.07 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 2.32 2.64 0.00 36 I 7.23 4.31 1.81 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 1.41 0.58 0.88 0.00 0.00 37 A 8.00 4.38 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 38 P 0.00 4.32 0.00 2.18 2.13 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 39 A 8.08 4.10 1.34 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 0.00 0.00 0.00 40 A 8.12 4.19 1.54 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 41 K 8.13 4.13 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 42 D 7.62 4.51 0.00 2.71 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 43 L 7.74 3.98 0.00 0.68 1.02 0.52 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.58 4.41 0.00 2.64 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.45 4.10 0.00 4.02 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 0.00 46 F 7.54 4.60 0.00 2.99 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 47 L 7.32 4.53 0.00 1.87 1.73 0.61 0.74 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 48 K 8.08 4.11 0.00 1.71 1.77 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.58 7.81 49 G 9.01 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 0.00 0.00 0.00 50 T 7.31 4.22 4.38 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 1.29 0.00 0.00 51 S 8.64 4.51 0.00 3.83 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.73 4.55 0.00 2.00 1.87 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 2.25 2.28 0.00 53 V 8.27 3.60 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 0.83 0.00 0.00 0.95 0.00 0.00 54 P 0.00 4.31 0.00 2.18 2.07 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 55 Q 8.53 4.50 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.54 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 56 N 7.67 5.13 0.00 2.58 2.68 0.00 0.00 6.83 8.00 0.00 0.00 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 N 7.78 4.67 0.00 2.65 2.44 0.00 0.00 6.80 7.71 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 58 P 0.00 4.23 0.00 2.23 2.24 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 59 E 8.30 3.69 0.00 1.98 1.69 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 2.26 2.26 0.00 60 L 7.23 2.79 0.00 0.63 1.45 0.66 0.93 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 61 Q 7.81 3.99 0.00 2.10 2.11 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 2.35 2.48 0.00 62 A 7.75 4.07 1.39 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 0.00 0.00 0.00 63 H 8.57 4.43 0.00 3.55 3.65 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.77 4.31 1.62 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 0.00 0.00 65 G 8.49 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 0.00 0.00 0.00 66 K 8.04 4.16 0.00 2.16 1.99 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.77 7.81 67 V 7.74 3.69 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 0.78 0.00 0.00 1.09 0.00 0.00 68 F 8.25 4.02 0.00 2.98 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 69 K 8.32 3.91 0.00 2.11 1.93 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.47 7.81 70 L 7.80 3.96 0.00 1.93 1.66 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.68 3.56 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 1.29 0.00 0.00 0.95 0.00 0.00 72 Y 7.98 3.80 0.00 2.97 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.64 3.03 0.00 1.94 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 1.86 2.14 0.00 74 A 7.59 3.80 1.22 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 75 A 7.59 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.20 3.54 1.66 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 1.13 0.37 0.78 0.00 0.00 77 Q 7.82 3.83 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 78 L 8.04 4.03 0.00 1.81 1.63 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.90 3.94 0.00 1.92 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 2.42 2.60 0.00 80 V 7.85 3.67 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 0.87 0.00 0.00 0.93 0.00 0.00 81 T 7.93 4.29 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 1.15 0.00 0.00 82 G 8.81 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 83 V 7.20 4.41 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 0.67 0.00 0.00 0.88 0.00 0.00 84 V 8.04 3.95 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 0.68 0.00 0.00 0.83 0.00 0.00 85 V 8.12 3.79 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 0.82 0.00 0.00 0.90 0.00 0.00 86 T 8.39 4.06 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 87 D 8.09 4.80 0.00 2.78 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 88 A 8.61 4.00 1.34 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 0.00 0.00 0.00 89 T 7.81 3.85 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 90 L 8.08 4.01 0.00 1.68 1.69 0.90 0.44 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 91 K 8.01 4.05 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.82 7.81 92 N 8.07 4.50 0.00 2.88 2.91 0.00 0.00 7.09 6.54 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 93 L 8.30 4.17 0.00 1.95 1.84 0.99 1.20 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 94 G 8.00 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 95 S 7.70 4.09 0.00 3.96 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 0.00 96 V 7.90 3.63 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 0.83 0.00 0.00 0.86 0.00 0.00 97 H 8.06 4.16 0.00 3.31 3.47 0.00 5.82 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 98 V 7.75 3.65 2.31 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 1.13 0.00 0.00 1.05 0.00 0.00 99 S 7.87 4.13 0.00 4.02 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 0.00 100 K 7.91 4.24 0.00 1.77 1.66 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.50 7.81 101 G 8.06 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.72 3.75 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 0.76 0.00 0.00 0.82 0.00 0.00 103 A 8.61 4.95 1.25 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 0.00 0.00 0.00 104 D 8.92 4.71 0.00 2.82 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 0.00 105 A 7.92 4.40 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 0.00 106 H 8.37 4.43 0.00 3.40 3.15 0.00 5.65 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 0.00 107 F 8.41 4.11 0.00 3.37 3.39 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 0.00 108 P 0.00 4.32 0.00 2.19 2.13 0.00 3.91 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 109 V 7.68 3.52 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 0.95 0.00 0.00 0.96 0.00 0.00 110 V 7.64 3.60 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 1.05 0.00 0.00 0.91 0.00 0.00 111 K 7.95 2.82 0.00 1.28 1.71 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.06 7.81 112 E 8.26 3.87 0.00 1.95 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 2.47 2.44 0.00 113 A 7.74 3.95 1.22 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 0.00 114 I 8.30 3.78 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 0.58 0.66 0.64 0.00 0.00 115 L 8.16 4.04 0.00 1.66 1.76 0.97 1.31 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 0.00 116 K 8.39 3.88 0.00 1.81 1.81 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.58 7.81 117 T 7.83 3.89 4.65 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 0.00 0.00 0.00 1.33 0.00 0.00 118 I 8.20 3.58 1.50 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.36 0.61 0.00 0.00 119 K 8.20 3.88 0.00 1.73 1.70 0.00 1.16 0.00 0.00 0.64 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.95 0.29 7.81 120 E 7.79 3.93 0.00 2.08 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 2.51 0.00 121 V 7.78 3.66 1.89 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 0.79 0.00 0.00 0.72 0.00 0.00 122 V 8.26 4.37 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 1.06 0.00 0.00 1.24 0.00 0.00 123 G 8.35 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 0.00 124 A 8.83 4.24 1.34 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 0.00 0.00 0.00 125 K 7.80 4.32 0.00 1.85 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.43 7.81 126 W 8.12 4.36 0.00 3.47 3.22 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 0.00 127 S 7.16 4.49 0.00 3.88 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 0.00 128 E 8.26 3.47 0.00 1.93 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 2.37 2.29 0.00 129 E 8.07 3.83 0.00 2.00 1.88 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 2.35 2.41 0.00 130 L 7.62 3.93 0.00 1.73 1.49 1.22 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.60 4.50 0.00 2.70 2.81 0.00 0.00 7.03 7.31 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 0.00 132 S 8.10 4.15 0.00 4.10 4.16 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 0.00 0.00 0.00 133 A 7.93 3.99 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 0.00 134 W 8.47 4.06 0.00 3.55 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 0.00 135 T 8.09 4.05 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 1.34 0.00 0.00 136 I 7.76 3.69 1.98 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 1.47 0.99 0.89 0.00 0.00 137 A 8.06 3.90 1.23 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 0.00 0.00 138 Y 8.51 3.93 0.00 3.15 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 0.00 139 D 8.43 4.48 0.00 3.14 2.75 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 0.00 0.00 0.00 140 E 8.47 3.92 0.00 1.93 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 2.58 2.42 0.00 141 L 8.08 3.69 0.00 1.67 1.54 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.16 3.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.37 3.51 1.96 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 1.34 1.26 0.84 0.00 0.00 144 V 7.10 3.57 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 0.96 0.00 0.00 0.91 0.00 0.00 145 I 7.60 3.69 1.75 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 1.51 0.47 0.98 0.00 0.00 146 K 7.75 3.76 0.00 1.65 1.60 0.00 0.77 0.00 0.00 0.63 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.21 7.81 147 K 7.42 3.85 0.00 1.94 1.94 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 148 E 8.02 4.05 0.00 2.15 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 2.54 2.58 0.00 149 M 7.94 4.24 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.84 0.00 150 D 7.85 4.50 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 7.95 4.40 0.00 2.79 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 0.00 152 A 7.68 4.32 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 0.00 153 A 7.67 4.17 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