NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3215 8.3349 115.2920 57.3982 64.1703 173.0651 4 L 4.3331 7.6794 119.8373 52.2939 42.0938 175.4998 5 T 4.3151 8.9965 116.2935 61.2361 72.1538 175.2614 6 R 4.0716 8.4674 119.8472 59.0045 29.8983 179.0416 7 K 3.9589 8.3925 117.4002 59.9486 32.1446 178.3922 8 Q 4.4100 7.8964 119.0727 57.8342 29.3506 176.7156 9 C 4.6084 7.9198 115.8719 59.9535 29.8813 175.7453 10 D 4.4043 8.3390 121.3286 57.2691 40.2681 178.5042 11 F 3.8541 8.3152 114.8498 59.9579 37.4070 177.4283 12 T 3.3522 7.0582 110.1269 64.1438 68.2794 176.6959 13 K 3.9894 7.9598 121.9249 59.1210 31.9508 179.2321 14 L 3.9229 7.7088 118.9544 57.7001 41.6160 179.3642 15 I 3.7314 7.4296 119.7893 64.7240 36.8453 178.3071 16 M 4.0287 8.1491 118.3257 58.4225 31.9163 178.4881 17 A 4.2795 8.2470 119.6550 53.3046 18.5594 178.2043 18 G 4.0610 7.7113 105.2543 45.1992 0.0000 173.5207 19 Y 4.0686 8.2621 117.5923 57.5703 38.9229 175.0253 20 D 4.8474 8.7294 123.2737 53.3395 42.2433 174.9293 21 L 5.3318 8.3673 125.1231 54.2615 44.2926 175.1285 22 E 4.6416 8.9039 120.1043 54.3024 32.7073 174.8419 23 L 4.4861 8.6133 126.8248 54.9470 42.9836 176.0676 24 N 4.6501 9.4499 120.4524 52.1719 40.2104 175.3503 25 N 3.9975 9.5465 122.9472 54.9999 36.3507 174.2077 26 G 3.9814 8.0552 99.5424 46.3340 0.0000 173.1561 27 S 4.5267 7.7411 113.6107 56.8058 63.2700 174.2019 28 T 3.7491 8.3802 116.2834 62.8595 69.3901 175.1905 29 Q 4.7806 7.9171 120.6760 55.5491 30.7806 174.7150 30 D 4.7809 7.9897 120.5351 53.7299 43.7325 173.8160 31 F 5.2954 8.5441 120.8554 55.8300 42.1077 172.6655 32 D 5.5534 9.2078 120.2985 52.5121 43.4775 175.7021 33 V 4.9758 8.7837 122.9757 60.0139 34.7594 174.6029 34 M 4.9022 8.9216 123.6974 55.0165 32.9429 175.5180 35 F 5.3641 9.6578 125.9323 56.9223 42.7806 173.0837 36 H 5.1901 8.7586 123.1437 53.9405 30.1470 175.2906 37 G 4.6747 9.5789 111.3800 45.1100 0.0000 171.7155 38 P 4.4873 0.0000 0.0000 62.6471 31.8394 175.7544 39 N 4.6261 8.6834 118.6728 54.6358 39.0216 175.1077 40 G 3.9244 11.3000 108.6352 46.3177 0.0000 173.2329 41 T 4.5863 7.1785 108.1190 58.8503 71.3000 175.0730 42 A 3.9495 8.3970 123.9064 55.0986 18.5034 178.1113 43 Y 4.5920 7.8607 111.9969 58.4837 38.3698 175.2418 44 E 4.3200 7.8748 122.1370 57.7435 29.9998 177.2499 45 G 3.9683 9.0780 113.4329 45.3088 0.0000 173.4800 46 G 3.5743 7.7525 107.2001 45.4574 0.0000 172.9079 47 I 5.0822 7.7610 123.2925 58.9207 40.0780 175.1337 48 W 5.3959 9.7707 126.2365 54.8507 33.2241 174.2189 49 K 4.6522 9.3267 124.8153 55.3182 33.3136 175.2875 50 V 4.5962 8.8766 127.7613 61.2915 34.4205 173.6748 51 H 5.0675 9.4999 129.2784 55.4223 30.7769 173.6769 52 V 4.8720 8.6762 127.2222 60.3844 33.6526 174.5253 53 T 4.6906 7.8364 116.7250 59.6801 72.1241 172.3885 54 L 4.5908 8.3188 124.8868 52.1754 43.2362 175.0753 55 P 4.4965 0.0000 0.0000 62.1605 32.2310 177.0215 56 D 4.5067 8.5941 118.5776 56.5407 41.0711 177.0533 57 D 4.8932 8.0261 117.6391 52.7323 40.0136 175.3916 58 Y 4.6988 8.0302 120.9353 57.4371 39.0516 174.2392 59 P 3.7298 0.0000 0.0000 62.5632 31.8981 177.6608 60 F 4.2346 7.7262 119.1581 60.0818 39.2089 175.8404 61 A 4.6090 7.7978 122.8277 50.7122 20.0543 176.6621 62 S 2.9822 8.0645 115.5772 56.2366 64.2117 172.3517 63 P 4.2697 0.0000 0.0000 62.9388 32.0270 175.9865 64 S 4.4097 8.2398 117.7661 58.2046 64.5826 173.2933 65 I 4.7234 8.0665 122.9544 59.4315 41.1290 174.6582 66 G 4.2907 8.4796 113.0349 44.4152 0.0000 171.7090 67 F 4.5823 9.7724 126.3251 58.0343 39.3534 176.3200 68 M 4.5818 9.5458 124.2151 56.3659 32.9028 176.1598 69 N 5.2760 8.6980 114.7034 50.3401 40.3406 174.9567 70 K 3.8983 8.8618 120.8381 57.0617 32.4982 175.6469 71 L 4.8089 8.5609 127.0917 53.0610 44.1878 174.9643 72 L 4.4015 8.6729 128.3534 54.3468 42.6654 174.9524 73 H 4.8093 8.2851 122.0712 55.2662 32.8839 172.1972 74 P 4.4612 0.0000 0.0000 65.5798 32.2019 177.1546 75 N 4.8289 8.4498 114.1076 52.9719 39.8911 174.5107 76 V 4.7201 7.5401 119.9018 60.5961 33.7905 174.7811 77 D 4.3470 9.1340 128.7486 54.5836 41.4454 176.5910 78 E 3.9243 9.1103 127.2923 59.3734 30.1602 177.8391 79 A 4.1510 8.1233 120.3932 55.2180 18.5826 178.5949 80 S 4.3018 8.6348 108.8212 58.7823 63.8132 175.6152 81 G 4.5626 8.7293 108.9533 46.2768 0.0000 172.5749 82 S 4.6466 7.7414 116.2025 57.9294 63.4424 173.2456 83 V 4.3751 8.5640 128.3601 62.0573 32.4660 175.0547 84 C 3.8184 8.9478 128.2049 60.2526 31.8311 174.3526 85 L 3.9348 8.8433 127.7295 58.3104 41.8099 178.6093 86 D 4.3452 8.0242 118.6825 57.3375 40.0043 178.9774 87 V 3.7369 7.7574 119.2263 64.6329 31.5759 178.1258 88 I 3.2032 7.7927 120.5446 64.3964 36.7977 178.1847 89 N 4.6767 8.1068 115.2778 56.0412 38.3621 177.2118 90 Q 4.1396 7.9600 118.5558 58.1819 28.7681 177.0054 91 T 4.2158 6.7895 115.8356 64.2369 70.1442 175.2944 92 W 3.7053 8.1811 131.9486 57.2339 31.2341 174.9703 93 T 4.5948 7.1103 114.1030 58.6842 71.3944 172.8656 94 P 4.3625 0.0000 0.0000 64.1008 31.2815 177.3633 95 L 4.2698 7.0130 116.0307 54.4914 42.3735 176.3041 96 Y 3.6893 6.7922 120.4520 56.9998 39.4451 174.6156 97 S 4.5074 7.2264 120.1325 56.8260 64.0533 174.5216 98 L 4.3976 9.0004 128.8776 58.7507 41.6924 179.4234 99 V 3.7299 7.8833 117.5284 66.0646 31.5194 177.5602 100 N 4.5259 8.2060 116.0958 55.6124 38.2622 177.2945 101 V 3.8885 7.8000 119.2591 66.4647 31.3135 177.8847 102 F 4.1994 8.2441 114.7856 59.6622 39.2445 177.2384 103 E 4.5788 8.7367 117.7238 57.6779 29.8720 176.6690 104 V 4.3300 8.5100 116.2225 64.1779 33.5799 176.9508 105 F 4.2581 8.0183 119.5090 61.5181 39.1098 177.0800 106 L 3.4310 8.1511 118.2208 57.2592 41.5836 177.8044 107 P 4.3181 0.0000 0.0000 65.4998 31.1710 178.4035 108 Q 3.9681 8.0138 118.2548 59.1458 28.8472 177.9064 109 L 3.7934 7.4976 120.1236 58.3325 42.1028 178.8373 110 L 3.9156 7.7391 117.6026 57.6522 41.4341 179.2604 111 T 4.1472 7.3889 114.9980 64.8866 69.3850 174.4121 112 Y 4.7448 7.8115 118.3824 54.9109 38.5555 173.3985 113 P 4.4473 0.0000 0.0000 62.3471 32.2581 176.3136 114 N 4.7949 8.9156 119.6616 51.0327 38.4362 172.6566 115 P 4.3082 0.0000 0.0000 63.8220 31.5496 177.4417 116 S 4.1979 8.1641 118.6582 59.6315 63.2293 179.8849 117 D 4.4410 8.6980 124.3502 52.6996 36.5862 168.9372 118 P 4.6260 0.0000 0.0000 62.5341 32.8184 177.0869 119 L 4.0998 8.4019 121.5708 56.3407 42.7490 175.8040 120 N 4.8461 8.4318 118.1192 51.3506 38.9740 174.5508 121 S 4.2436 8.3675 121.5544 60.8880 63.3567 175.8765 122 D 4.3478 8.2036 122.2121 57.2017 40.5145 178.3809 123 A 4.0570 8.2988 120.9565 54.9528 18.3376 179.3534 124 A 3.7562 7.8053 119.1605 55.4731 18.3896 179.8711 125 S 3.9839 8.3152 113.7797 61.6813 62.9576 176.4332 126 L 3.9263 8.0279 122.9385 58.3591 41.5580 178.8393 127 L 3.5558 7.4696 118.5840 58.2010 41.9294 178.4369 128 M 4.1295 7.8209 117.5264 58.3507 32.0048 178.6198 129 K 4.3719 8.0031 117.3321 58.1447 32.7019 177.4742 130 D 4.3321 8.2074 122.5172 52.1004 42.6439 175.1241 131 K 3.9288 8.8512 129.0320 59.7788 32.0666 178.0535 132 N 4.3573 8.1582 115.9870 56.3406 38.4942 177.2475 133 I 3.8391 8.7701 121.5296 64.5190 37.3324 177.5740 134 Y 4.1101 8.3497 120.6686 61.1295 38.6362 178.3990 135 E 3.8138 8.4614 118.7919 58.8931 29.2768 179.1171 136 E 3.9852 8.1066 119.0398 58.7029 29.4126 179.2049 137 K 3.9037 7.5482 119.8597 59.3819 32.3580 178.6589 138 V 3.2665 7.0123 118.4953 66.1924 31.2528 177.8962 139 K 3.8509 7.8033 117.6890 59.7724 31.9636 179.1729 140 E 3.9906 7.9761 118.4719 59.4999 29.3448 178.7487 141 Y 4.1991 8.6893 117.3116 61.1624 38.0551 179.0980 142 V 3.7594 8.6186 119.2964 66.1300 31.5130 178.0596 143 K 3.8213 7.7203 116.8136 59.3235 31.9159 178.5528 144 L 3.9013 7.3633 119.0006 57.0527 42.2751 177.4188 145 Y 4.8110 7.7655 112.4010 57.5041 39.0434 176.1956 146 A 4.3680 7.7919 123.4538 51.3168 20.0947 176.7197 147 S 4.4388 8.0628 116.1980 59.7265 64.1115 175.5351 148 K 3.8279 8.7341 123.3197 58.0531 31.3370 179.1316 149 D 4.5245 7.9819 118.2219 55.0271 39.9284 177.8489 150 L 3.6437 7.4846 121.7410 57.8274 41.7694 177.8205 151 W 4.6425 8.0415 113.6797 56.4049 29.7024 176.0772 152 E 4.3122 8.2686 124.1863 56.5225 29.4429 174.6634 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 3 S 8.33 4.32 0.00 3.86 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 4 L 7.68 4.33 0.00 1.76 1.62 0.92 0.61 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 5 T 9.00 4.32 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 6 R 8.47 4.07 0.00 1.94 2.42 0.00 3.09 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 7 K 8.39 3.96 0.00 1.83 1.99 0.00 1.95 0.00 0.00 1.99 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.69 1.69 7.81 8 Q 7.90 4.41 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 9 C 7.92 4.61 0.00 2.91 2.83 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 10 D 8.34 4.40 0.00 3.02 2.91 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 11 F 8.32 3.85 0.00 2.20 2.50 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 12 T 7.06 3.35 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 0.35 0.00 0.00 13 K 7.96 3.99 0.00 1.93 1.88 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.41 7.81 14 L 7.71 3.92 0.00 1.72 1.50 0.80 0.12 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 15 I 7.43 3.73 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.89 0.00 0.00 16 M 8.15 4.03 0.00 1.94 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 17 A 8.25 4.28 1.60 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 0.00 0.00 18 G 7.71 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.26 4.07 0.00 2.88 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 20 D 8.73 4.85 0.00 2.82 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 21 L 8.37 5.33 0.00 1.83 1.58 0.84 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.90 4.64 0.00 2.01 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 2.18 2.26 0.00 23 L 8.61 4.49 0.00 1.44 1.54 0.52 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 24 N 9.45 4.65 0.00 2.74 2.71 0.00 0.00 7.18 6.83 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 25 N 9.55 4.00 0.00 2.79 2.84 0.00 0.00 7.21 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 26 G 8.06 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 0.00 0.00 0.00 27 S 7.74 4.53 0.00 3.82 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 28 T 8.38 3.75 4.49 0.00 0.00 0.00 0.00 0.00 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 29 Q 7.92 4.78 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 30 D 7.99 4.78 0.00 2.60 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 0.00 0.00 0.00 0.00 31 F 8.54 5.30 0.00 3.11 2.85 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 32 D 9.21 5.55 0.00 2.51 2.44 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 33 V 8.78 4.98 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 0.84 0.00 0.00 0.48 0.00 0.00 34 M 8.92 4.90 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.62 0.00 35 F 9.66 5.36 0.00 3.50 3.28 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 0.00 36 H 8.76 5.19 0.00 2.95 3.17 0.00 5.77 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 37 G 9.58 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.49 0.00 2.29 2.28 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 39 N 8.68 4.63 0.00 2.77 2.83 0.00 0.00 6.98 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 40 G 11.30 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 41 T 7.18 4.59 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 1.29 0.00 0.00 42 A 8.40 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.86 4.59 0.00 3.17 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 44 E 7.87 4.32 0.00 2.15 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 2.36 2.32 0.00 45 G 9.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.75 3.57 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 47 I 7.76 5.08 1.79 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 0.99 0.57 0.90 0.00 0.00 48 W 9.77 5.40 0.00 3.90 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 9.33 4.65 0.00 0.79 0.94 0.00 0.71 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.90 7.81 50 V 8.88 4.60 2.26 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 0.65 0.00 0.00 0.68 0.00 0.00 51 H 9.50 5.07 0.00 3.14 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.68 4.87 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 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 53 T 7.84 4.69 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 0.94 0.00 0.00 54 L 8.32 4.59 0.00 1.21 0.95 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.50 0.00 2.41 2.13 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 56 D 8.59 4.51 0.00 2.72 2.81 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 57 D 8.03 4.89 0.00 2.99 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 58 Y 8.03 4.70 0.00 2.93 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 3.73 0.00 1.80 1.42 0.00 2.93 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.48 0.00 60 F 7.73 4.23 0.00 3.28 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 61 A 7.80 4.61 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 62 S 8.06 2.98 0.00 3.20 3.54 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 63 P 0.00 4.27 0.00 1.74 1.67 0.00 2.20 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 64 S 8.24 4.41 0.00 3.63 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.07 4.72 1.69 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.61 0.44 0.00 0.00 66 G 8.48 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 67 F 9.77 4.58 0.00 3.09 3.33 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 68 M 9.55 4.58 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 69 N 8.70 5.28 0.00 3.06 3.04 0.00 0.00 5.95 7.13 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 70 K 8.86 3.90 0.00 1.43 1.64 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.67 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.56 1.34 7.81 71 L 8.56 4.81 0.00 1.27 1.15 0.40 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.67 4.40 0.00 1.20 1.37 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.29 4.81 0.00 3.06 2.94 0.00 5.79 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 74 P 0.00 4.46 0.00 2.03 2.02 0.00 3.15 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 1.91 1.94 0.00 75 N 8.45 4.83 0.00 2.73 2.85 0.00 0.00 6.58 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 76 V 7.54 4.72 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 0.80 0.00 0.00 0.78 0.00 0.00 77 D 9.13 4.35 0.00 2.84 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 78 E 9.11 3.92 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 79 A 8.12 4.15 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 80 S 8.63 4.30 0.00 4.00 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 0.00 81 G 8.73 4.56 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 82 S 7.74 4.65 0.00 3.90 3.77 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 83 V 8.56 4.38 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 0.84 0.00 0.00 1.04 0.00 0.00 84 C 8.95 3.82 0.00 3.14 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 85 L 8.84 3.93 0.00 1.75 1.62 0.86 1.25 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 86 D 8.02 4.35 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.76 3.74 2.15 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 0.94 0.00 0.00 1.11 0.00 0.00 88 I 7.79 3.20 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.52 0.00 0.00 89 N 8.11 4.68 0.00 2.87 2.89 0.00 0.00 7.16 8.08 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 90 Q 7.96 4.14 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 91 T 6.79 4.22 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 0.63 0.00 0.00 92 W 8.18 3.71 0.00 3.03 2.85 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 93 T 7.11 4.59 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 1.12 0.00 0.00 94 P 0.00 4.36 0.00 2.02 2.00 0.00 3.64 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 95 L 7.01 4.27 0.00 1.44 1.56 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 6.79 3.69 0.00 2.34 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 97 S 7.23 4.51 0.00 3.70 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 98 L 9.00 4.40 0.00 2.19 1.87 1.17 1.14 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 99 V 7.88 3.73 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 1.20 0.00 0.00 0.94 0.00 0.00 100 N 8.21 4.53 0.00 2.55 2.65 0.00 0.00 6.56 7.67 0.00 0.00 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 7.80 3.89 2.50 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 0.66 0.00 0.00 1.24 0.00 0.00 102 F 8.24 4.20 0.00 3.01 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 0.00 103 E 8.74 4.58 0.00 2.08 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 0.00 2.77 2.65 0.00 104 V 8.51 4.33 2.40 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 1.12 0.00 0.00 1.07 0.00 0.00 105 F 8.02 4.26 0.00 3.14 3.31 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 0.00 106 L 8.15 3.43 0.00 1.50 1.30 -0.26 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.32 0.00 2.26 2.23 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 108 Q 8.01 3.97 0.00 2.30 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 109 L 7.50 3.79 0.00 0.96 1.26 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.74 3.92 0.00 1.34 0.89 0.40 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.39 4.15 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 0.50 0.00 0.00 112 Y 7.81 4.74 0.00 2.93 2.83 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 0.00 113 P 0.00 4.45 0.00 1.92 1.70 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 114 N 8.92 4.79 0.00 2.60 2.72 0.00 0.00 7.18 7.42 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 0.00 115 P 0.00 4.31 0.00 2.02 1.98 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 116 S 8.16 4.20 0.00 3.64 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.70 4.44 0.00 2.77 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 0.00 118 P 0.00 4.63 0.00 2.21 2.05 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 119 L 8.40 4.10 0.00 1.62 1.74 0.93 1.02 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 0.00 120 N 8.43 4.85 0.00 2.87 2.83 0.00 0.00 6.83 7.35 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 0.00 121 S 8.37 4.24 0.00 4.08 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 0.00 122 D 8.20 4.35 0.00 2.87 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 0.00 123 A 8.30 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.81 3.76 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 0.00 125 S 8.32 3.98 0.00 3.97 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 0.00 126 L 8.03 3.93 0.00 1.90 1.84 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.47 3.56 0.00 0.27 1.36 0.67 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 128 M 7.82 4.13 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 129 K 8.00 4.37 0.00 1.83 1.87 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.62 7.81 130 D 8.21 4.33 0.00 2.73 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 0.00 131 K 8.85 3.93 0.00 1.87 1.84 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.62 7.81 132 N 8.16 4.36 0.00 2.96 2.86 0.00 0.00 7.13 7.40 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 0.00 133 I 8.77 3.84 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.94 0.00 0.00 134 Y 8.35 4.11 0.00 3.00 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 0.00 135 E 8.46 3.81 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.70 0.00 136 E 8.11 3.99 0.00 2.20 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 2.46 0.00 137 K 7.55 3.90 0.00 1.67 1.64 0.00 1.59 0.00 0.00 1.31 0.00 0.00 2.43 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.42 7.81 138 V 7.01 3.27 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 0.14 0.00 0.00 0.12 0.00 0.00 139 K 7.80 3.85 0.00 1.94 1.82 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.67 7.81 140 E 7.98 3.99 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 2.32 2.49 0.00 141 Y 8.69 4.20 0.00 3.25 3.25 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 0.00 142 V 8.62 3.76 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 1.08 0.00 0.00 1.34 0.00 0.00 143 K 7.72 3.82 0.00 1.89 1.78 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 144 L 7.36 3.90 0.00 1.47 0.51 0.66 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 7.77 4.81 0.00 3.13 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 7.79 4.37 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.06 4.44 0.00 3.92 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 0.00 148 K 8.73 3.83 0.00 1.79 1.80 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.04 7.81 149 D 7.98 4.52 0.00 2.78 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 0.00 150 L 7.48 3.64 0.00 1.43 1.64 0.61 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 151 W 8.04 4.64 0.00 3.31 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 0.00 152 E 8.27 4.31 0.00 2.36 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 0.00 2.19 2.06 0.00