NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0006 7.9133 120.3811 62.1913 33.4212 174.6135 8 L 4.6960 7.3103 118.2036 50.5222 43.7306 175.2486 9 S 4.1909 9.0207 118.3519 57.8008 64.4853 173.7103 10 G 3.7802 8.4419 112.0549 47.2014 0.0000 172.0095 11 G 4.1672 9.2705 117.3901 46.7575 0.0000 175.8018 12 E 3.9814 8.5210 120.7721 58.8775 29.4500 178.9483 13 L 4.0138 8.4871 120.6974 58.6079 41.7981 178.9163 14 D 4.4566 8.1044 117.1980 57.1241 40.9909 178.4445 15 K 4.1618 7.7597 118.3030 59.1223 32.1196 178.8348 16 W 4.5059 8.7988 128.9939 60.8952 30.3567 177.2141 17 E 4.8731 8.1616 115.2792 56.5022 28.9076 177.3572 18 K 4.4635 7.6388 118.1673 56.3619 34.1301 176.6159 19 I 4.0312 7.6026 121.4160 61.1697 38.3359 175.4377 20 R 4.6192 8.4653 125.6212 55.0578 30.6987 177.6319 21 L 3.4575 8.4135 123.1135 57.0101 42.7844 177.6645 22 R 4.7810 7.5703 115.6605 53.2455 33.7508 174.2493 23 P 5.0485 0.0000 0.0000 64.5328 31.3576 177.6409 24 G 4.0604 7.9882 104.5373 45.0250 0.0000 172.9952 25 G 3.9467 7.9137 109.0379 43.8877 0.0000 174.7044 26 K 4.1762 8.2375 117.9112 58.2562 33.7356 177.7686 27 K 4.1363 7.7839 119.4638 56.4444 32.9642 176.2563 28 Q 4.9316 8.2409 121.8815 53.6893 32.9414 174.8591 29 Y 3.8665 8.5816 118.6359 58.2722 39.0494 175.8184 30 K 5.2097 8.9616 119.9430 53.7692 36.7999 177.4670 31 L 4.1714 8.7289 119.9150 57.7610 41.3991 179.7611 32 K 4.2040 8.1233 117.9901 59.6462 32.5965 178.5622 33 H 4.6306 8.5504 118.0858 58.4509 28.7225 177.6910 34 I 3.7860 8.0524 121.4421 64.3651 36.9936 177.9335 35 V 3.5731 7.6390 118.6229 66.0545 31.2501 177.3151 36 W 4.2885 8.3952 127.3769 60.9039 30.3958 177.5593 37 A 3.6438 8.6785 120.1713 55.1810 17.7492 179.4930 38 S 3.9248 8.2285 111.4745 61.7881 62.5455 176.7805 39 R 3.7855 8.1224 120.8090 58.7608 29.7120 178.8226 40 E 3.1627 7.9087 118.9152 59.1728 29.3184 179.2317 41 L 3.8593 7.6637 119.0210 57.7653 41.4410 179.1017 42 E 3.8372 7.9609 118.2838 59.2762 29.7973 178.6740 43 R 4.0356 7.5755 118.3797 59.4622 29.9089 178.4960 44 F 4.6634 7.6954 113.4487 56.8364 39.2120 175.1476 45 A 3.8549 7.8199 119.5708 53.4044 16.6157 177.9101 46 V 4.2924 8.0104 118.5876 61.5913 34.1620 174.7050 47 N 4.4080 8.5374 124.6787 52.9535 38.6260 173.6853 48 P 4.4232 0.0000 0.0000 64.5439 32.1823 178.8174 49 G 3.5873 8.1540 106.8356 47.7206 0.0000 175.4379 50 L 4.0344 7.8453 120.7051 57.4983 41.4284 178.9838 51 L 4.2606 7.7088 117.3300 55.9350 41.6519 177.7340 52 E 4.6357 8.2627 118.4409 55.1736 30.5916 175.6402 53 T 4.5030 6.7645 109.3221 58.9725 72.3493 174.7567 54 S 4.1993 8.5703 118.4343 62.0082 62.7818 176.7337 55 E 4.1147 8.2167 121.5391 58.9777 29.5163 178.2592 56 G 4.3532 8.0072 107.1080 47.7394 0.0000 175.1245 57 C 4.1131 8.2465 119.4123 62.2221 28.1348 176.2393 58 R 3.5116 8.3168 120.3375 59.4443 29.5344 178.6729 59 Q 3.9051 8.0467 117.5382 58.9965 28.8143 178.2277 60 I 3.6691 7.6925 120.7997 64.8271 37.1839 178.2612 61 L 3.9962 8.0051 119.4319 57.8882 41.1057 180.0579 62 G 3.5969 7.5998 104.7993 47.8536 0.0000 175.6956 63 Q 4.1619 8.0809 119.4331 58.0738 29.0615 177.9096 64 L 4.4779 7.9274 119.2147 55.7606 42.3964 178.2950 65 Q 3.9120 8.3251 120.3482 59.1848 28.6782 177.2447 66 P 4.2507 0.0000 0.0000 65.6485 31.8200 177.9997 67 S 4.3772 7.9359 111.3048 59.3240 62.8243 176.1748 68 L 3.9812 7.8179 123.5322 57.5874 41.0850 178.9004 69 Q 3.8639 7.9401 118.6358 59.3742 29.0261 177.0007 70 T 4.3733 7.7662 104.3482 61.2884 69.1390 174.5224 71 G 3.8438 8.0461 111.5747 44.4945 0.0000 174.9282 72 S 4.4234 8.3965 118.6251 58.0040 65.3327 175.1329 73 E 4.1765 8.6395 120.4754 58.6990 29.1742 179.0000 74 E 4.2351 8.2653 119.7215 59.1618 29.6967 178.3153 75 L 4.3002 7.8087 119.9618 58.2258 42.2244 179.1093 76 R 4.0293 8.1492 118.0570 59.0956 29.9488 178.9615 77 S 4.1698 8.8114 113.5338 61.2462 62.4351 175.8755 78 L 4.5865 8.3195 122.6861 58.7356 41.9505 178.2169 79 Y 4.1231 8.5848 119.6593 61.0214 38.7329 177.9774 80 N 4.6030 8.6653 117.3819 56.4722 38.7038 177.5114 81 T 4.0575 8.2557 117.3254 67.0044 68.6395 176.6896 82 I 3.8868 7.8957 120.7828 63.8149 37.0707 178.3771 83 A 3.9461 7.9301 122.0560 55.1513 18.2617 179.8233 84 V 3.5699 7.9406 116.7749 66.0737 31.4757 177.9193 85 L 3.9003 8.2945 120.1502 58.2251 41.7557 178.4406 86 Y 3.9861 8.0055 119.4751 60.9464 38.7414 177.5424 87 C 3.9057 8.2063 117.6775 62.6584 28.1723 176.4395 88 V 3.6235 7.7641 119.6910 66.4819 31.0134 177.8224 89 H 4.7484 7.8967 116.0498 58.4173 28.6262 177.2779 90 Q 3.9761 7.8333 117.6482 56.0678 28.5898 176.6235 91 R 3.8483 7.5846 117.8487 57.0270 27.9159 175.7871 92 I 4.1274 8.1519 120.1757 59.8159 37.6397 175.2692 93 D 4.5541 8.6173 126.0789 53.8122 41.4137 175.6770 94 V 5.3620 7.9968 118.4419 58.6412 35.5447 175.7099 95 K 4.3001 9.1307 122.0144 57.8794 32.9252 176.0121 96 D 5.5458 7.4216 118.4672 52.2085 43.2193 176.0313 97 T 3.9407 7.9067 113.0085 66.7659 68.2323 176.6950 98 K 3.9458 8.0881 120.9252 59.6536 32.2321 178.2543 99 E 3.9188 8.7516 119.2655 58.9437 29.5001 178.3040 100 A 4.0166 7.8737 120.7490 55.5190 18.4708 179.6249 101 L 4.0605 8.1275 116.8499 57.9116 41.6287 179.5891 102 D 4.3933 8.4716 119.1060 57.5100 40.6362 179.0105 103 K 3.9834 8.2627 118.8909 59.4965 31.9999 179.5838 104 I 3.8886 7.8632 120.0892 64.1570 37.0277 177.8965 105 E 4.7463 8.5767 121.7047 58.9532 29.6652 178.7800 106 E 4.0162 8.5411 117.3598 58.6409 29.5534 178.6782 107 E 3.9073 7.9466 121.0237 59.4295 29.7758 178.5266 108 Q 3.9585 8.0767 117.9177 59.2425 28.3707 178.2769 109 N 4.2839 8.4337 117.6132 56.5674 38.5708 177.4987 110 K 4.0022 8.0696 119.5873 59.6302 32.1752 179.5548 111 S 4.1766 7.9355 113.9317 61.4961 62.9532 176.5062 112 K 4.0307 8.6056 122.0372 58.4394 31.6501 179.6321 113 K 3.9521 7.7355 118.6283 59.5535 32.0630 179.2778 114 K 3.8432 8.0607 118.4407 59.5736 31.8805 178.9272 115 A 4.0113 8.2993 121.1780 55.4511 17.8591 179.4680 116 Q 4.0169 8.1753 117.9386 59.8111 28.5863 180.0682 117 Q 4.1935 8.1475 120.5089 59.4341 28.5768 180.5948 118 A 4.8161 8.7662 122.4994 54.0225 18.4012 179.4135 119 A 4.0807 7.8484 118.9480 54.8357 19.9683 178.7303 120 A 4.3642 7.2276 119.2833 50.9556 17.2581 177.3361 121 D 4.3091 7.5251 124.8236 53.9499 42.0890 175.9823 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 7 V 7.91 4.00 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 0.85 0.00 0.00 0.86 0.00 0.00 8 L 7.31 4.70 0.00 1.55 1.40 0.34 0.14 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 9 S 9.02 4.19 0.00 3.99 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 10 G 8.44 3.78 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 0.00 0.00 0.00 11 G 9.27 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 0.00 0.00 0.00 0.00 12 E 8.52 3.98 0.00 2.25 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 2.31 2.30 0.00 13 L 8.49 4.01 0.00 1.81 1.72 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.10 4.46 0.00 2.72 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 15 K 7.76 4.16 0.00 2.22 1.92 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.63 7.81 16 W 8.80 4.51 0.00 3.27 3.29 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 17 E 8.16 4.87 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 18 K 7.64 4.46 0.00 1.68 1.83 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.54 7.81 19 I 7.60 4.03 1.93 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 1.40 0.74 0.96 0.00 0.00 20 R 8.47 4.62 0.00 1.81 1.80 0.00 3.10 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 21 L 8.41 3.46 0.00 1.33 1.43 -0.47 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.57 4.78 0.00 1.74 1.72 0.00 3.10 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 23 P 0.00 5.05 0.00 2.02 2.14 0.00 3.65 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 24 G 7.99 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 25 G 7.91 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 0.00 0.00 0.00 26 K 8.24 4.18 0.00 1.83 1.91 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.36 7.81 27 K 7.78 4.14 0.00 1.66 1.59 0.00 1.43 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 28 Q 8.24 4.93 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 29 Y 8.58 3.87 0.00 2.17 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 30 K 8.96 5.21 0.00 1.80 1.71 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 31 L 8.73 4.17 0.00 1.77 1.79 0.96 0.52 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 32 K 8.12 4.20 0.00 1.99 2.08 0.00 1.38 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.26 7.81 33 H 8.55 4.63 0.00 3.98 3.85 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.05 3.79 2.00 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 0.88 0.60 0.78 0.00 0.00 35 V 7.64 3.57 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 1.12 0.00 0.00 1.02 0.00 0.00 36 W 8.40 4.29 0.00 3.54 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 3.64 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 0.00 0.00 38 S 8.23 3.92 0.00 3.85 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.12 3.79 0.00 1.73 1.83 0.00 3.18 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 40 E 7.91 3.16 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 1.47 1.47 0.00 41 L 7.66 3.86 0.00 1.74 1.82 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.96 3.84 0.00 2.03 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 2.28 2.28 0.00 43 R 7.58 4.04 0.00 1.82 1.57 0.00 3.05 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 44 F 7.70 4.66 0.00 3.02 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 45 A 7.82 3.85 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 46 V 8.01 4.29 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 0.99 0.00 0.00 47 N 8.54 4.41 0.00 2.83 2.71 0.00 0.00 6.91 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 48 P 0.00 4.42 0.00 2.21 2.40 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 49 G 8.15 3.59 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 0.00 0.00 0.00 50 L 7.85 4.03 0.00 1.86 1.75 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.71 4.26 0.00 1.67 1.67 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.26 4.64 0.00 2.07 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 2.46 2.10 0.00 53 T 6.76 4.50 4.18 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 1.14 0.00 0.00 54 S 8.57 4.20 0.00 3.90 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 55 E 8.22 4.11 0.00 2.02 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 2.41 2.33 0.00 56 G 8.01 4.35 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 0.00 57 C 8.25 4.11 0.00 3.45 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 58 R 8.32 3.51 0.00 1.98 2.12 0.00 3.08 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 59 Q 8.05 3.91 0.00 2.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 60 I 7.69 3.67 1.97 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 1.52 0.76 0.92 0.00 0.00 61 L 8.01 4.00 0.00 1.66 1.55 0.53 -0.16 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 62 G 7.60 3.60 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 0.00 63 Q 8.08 4.16 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 64 L 7.93 4.48 0.00 2.06 1.93 1.08 0.78 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 Q 8.33 3.91 0.00 2.39 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 66 P 0.00 4.25 0.00 2.05 2.10 0.00 3.77 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 2.03 2.18 0.00 67 S 7.94 4.38 0.00 3.87 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 68 L 7.82 3.98 0.00 1.68 1.53 0.12 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.94 3.86 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.27 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 70 T 7.77 4.37 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 1.19 0.00 0.00 71 G 8.05 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.40 4.42 0.00 4.11 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 73 E 8.64 4.18 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 74 E 8.27 4.24 0.00 2.21 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 0.00 2.82 2.79 0.00 75 L 7.81 4.30 0.00 2.00 1.86 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.15 4.03 0.00 2.00 2.02 0.00 3.39 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 77 S 8.81 4.17 0.00 3.92 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 78 L 8.32 4.59 0.00 2.09 2.15 0.68 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.58 4.12 0.00 3.23 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.67 4.60 0.00 3.10 3.01 0.00 0.00 7.04 7.04 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 81 T 8.26 4.06 4.77 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 1.67 0.00 0.00 82 I 7.90 3.89 1.91 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 1.49 0.85 0.87 0.00 0.00 83 A 7.93 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.94 3.57 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 0.43 0.00 0.00 0.93 0.00 0.00 85 L 8.29 3.90 0.00 2.00 1.61 0.22 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.01 3.99 0.00 3.26 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 87 C 8.21 3.91 0.00 3.23 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 88 V 7.76 3.62 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 1.00 0.00 0.00 1.24 0.00 0.00 89 H 7.90 4.75 0.00 3.13 3.18 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.83 3.98 0.00 1.70 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 91 R 7.58 3.85 0.00 1.95 2.04 0.00 3.12 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 92 I 8.15 4.13 1.84 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 1.16 0.59 0.93 0.00 0.00 93 D 8.62 4.55 0.00 2.62 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 94 V 8.00 5.36 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 0.72 0.00 0.00 0.95 0.00 0.00 95 K 9.13 4.30 0.00 2.13 1.84 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.40 7.81 96 D 7.42 5.55 0.00 2.92 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 97 T 7.91 3.94 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 1.34 0.00 0.00 98 K 8.09 3.95 0.00 1.88 1.95 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.59 7.81 99 E 8.75 3.92 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 100 A 7.87 4.02 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 0.00 101 L 8.13 4.06 0.00 1.94 1.83 1.07 1.12 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 0.00 102 D 8.47 4.39 0.00 2.85 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 0.00 103 K 8.26 3.98 0.00 2.23 1.93 0.00 1.58 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.56 7.81 104 I 7.86 3.89 2.16 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.14 0.94 0.00 0.00 105 E 8.58 4.75 0.00 2.13 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 2.33 2.25 0.00 106 E 8.54 4.02 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.34 0.00 107 E 7.95 3.91 0.00 2.32 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 2.37 2.42 0.00 108 Q 8.08 3.96 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 109 N 8.43 4.28 0.00 2.76 2.91 0.00 0.00 7.14 8.07 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 0.00 110 K 8.07 4.00 0.00 2.11 1.87 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 111 S 7.94 4.18 0.00 4.06 4.15 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 0.00 112 K 8.61 4.03 0.00 1.76 1.90 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.63 7.81 113 K 7.74 3.95 0.00 2.04 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 114 K 8.06 3.84 0.00 2.03 1.89 0.00 1.57 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.53 7.81 115 A 8.30 4.01 1.41 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 0.00 116 Q 8.18 4.02 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 117 Q 8.15 4.19 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 118 A 8.77 4.82 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.85 4.08 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 0.00 120 A 7.23 4.36 1.28 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 0.00 0.00 121 D 7.53 4.31 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00