NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2049 8.1633 120.2885 54.6707 33.1967 174.2429 2 K 4.0777 8.5328 126.3090 56.4106 32.5444 175.5510 3 G 3.9612 8.6444 114.3197 44.7643 0.0000 171.3462 4 D 4.6491 8.4033 119.3311 53.4773 42.1420 177.0026 5 K 3.8011 9.1238 127.1824 60.1586 32.1432 178.7550 6 I 3.5949 7.8258 119.1431 64.1161 36.9674 178.4897 7 V 3.7201 8.0938 119.3877 66.0540 31.3249 178.1806 8 I 3.7422 8.2003 120.0462 64.3240 36.8755 178.5313 9 Q 3.9294 7.7907 118.5464 59.0863 28.4793 178.1628 10 H 4.0618 7.9628 117.2083 58.9310 28.7056 177.6548 11 L 4.0052 8.0253 120.5391 58.1444 41.5268 179.4873 12 N 4.3227 8.4840 116.6343 56.0223 38.4044 177.4991 13 K 3.9349 8.5305 121.4604 59.5063 32.3666 178.9089 14 I 3.6810 8.0801 120.5137 64.4080 37.0583 178.0424 15 L 4.0738 8.3468 121.5633 58.1951 41.6058 179.2973 16 G 3.6211 8.1263 105.6179 47.8672 0.0000 175.4868 17 N 4.4609 8.0885 118.8250 55.9431 38.4408 177.4256 18 E 3.9047 8.1907 119.9933 59.5090 29.5279 179.2080 19 L 3.9074 7.8803 118.9073 57.9007 41.6006 179.8482 20 I 3.5760 7.3856 117.9054 64.3654 37.0478 178.1685 21 A 3.3212 7.7039 121.5068 54.9844 17.9943 179.5534 22 I 3.5474 7.7273 118.2244 64.7700 37.2322 178.4035 23 N 4.3171 7.8256 116.7605 56.2568 38.3393 177.3727 24 Q 3.8641 8.0405 120.9138 59.5648 29.2043 178.0219 25 Y 4.6997 8.0484 119.4993 60.4100 37.8227 178.1662 26 F 3.9214 8.5651 121.9217 61.0201 39.5613 176.7967 27 L 3.9337 8.1716 119.9433 58.6307 41.8566 178.3929 28 H 3.9208 8.2399 115.8143 58.8740 28.6888 177.3560 29 A 4.1233 8.4227 122.4802 55.6070 18.2742 180.0687 30 R 3.7954 7.8435 116.0337 59.0404 30.0040 179.4062 31 M 3.4456 7.6046 118.9066 58.2507 31.8109 178.0774 32 Y 4.5477 7.5734 116.9557 61.2096 37.9919 178.2409 33 E 3.9210 8.2442 120.0179 59.6855 29.5161 178.5132 34 D 4.3497 8.1352 116.4059 56.7010 41.2612 177.3540 35 W 4.9264 7.9619 117.1502 56.6082 29.1429 177.0169 36 G 4.1382 8.5101 108.3326 45.6216 0.0000 174.5052 37 L 4.8475 8.0290 121.1221 52.8225 40.5652 176.7677 38 E 4.0754 8.3844 123.7928 59.5840 30.0417 179.1431 39 K 3.8119 7.7138 119.1096 59.7455 32.2785 178.4659 40 L 4.0708 7.8792 119.9703 57.9287 41.8684 179.0577 41 G 3.9579 8.4297 107.5254 47.1982 0.0000 175.5984 42 K 3.8785 8.6877 122.9333 59.3187 32.1984 178.2906 43 H 3.8826 8.2088 118.4252 59.3138 29.2741 176.8628 44 E 3.8953 8.2732 121.0099 59.2206 29.3580 178.1888 45 Y 3.9474 8.2390 120.0015 61.0480 38.8798 177.5138 46 H 4.0080 8.2508 117.0611 58.9563 28.7812 177.2333 47 E 3.7849 8.1791 121.1766 59.3542 29.3144 179.1231 48 S 4.3722 8.0484 114.2852 61.4061 63.3681 176.5391 49 I 3.6310 7.3928 122.9134 64.0028 36.7245 177.9572 50 D 4.2805 8.2802 120.0006 57.5157 40.6532 178.5481 51 E 3.9228 7.9854 118.5695 59.8303 29.4212 179.4818 52 M 4.0420 8.0841 118.6559 58.1749 31.9520 178.9238 53 K 4.0731 7.8786 118.5548 59.4493 32.2437 179.1465 54 H 4.2647 8.5166 116.8515 58.7545 28.5544 177.5683 55 A 3.9876 8.2246 122.7000 55.1480 18.1964 179.0063 56 D 4.2543 8.0280 116.3849 57.5400 41.2347 178.5035 57 K 3.9111 8.1148 118.7561 59.5386 32.1071 179.1071 58 L 3.9898 7.9032 118.8930 57.9790 41.6149 179.4807 59 I 3.6954 7.9115 119.6542 64.5287 37.0112 178.6011 60 K 3.9918 8.1852 119.0046 59.3753 31.8180 179.2605 61 R 3.9961 8.3026 119.1700 59.7396 29.9784 178.3803 62 I 3.7006 8.2278 119.8388 64.6693 37.1251 178.4627 63 L 4.0147 8.1681 119.6328 57.6398 41.1952 179.3267 64 F 4.3903 8.2857 120.1996 61.1505 39.6097 176.4912 65 L 4.5038 8.0299 117.5245 53.7507 41.5343 176.5429 66 E 3.7783 8.0439 117.4016 57.9098 26.8951 173.4238 67 G 4.1271 8.1909 107.4902 43.6384 0.0000 172.5491 68 L 4.5622 8.0644 118.9743 51.9841 42.5254 175.1556 69 P 4.4342 0.0000 0.0000 62.6294 31.7851 176.3482 70 N 4.7662 8.3612 120.0862 52.1143 39.0224 173.6411 71 L 4.5148 8.2145 122.3392 54.3401 42.1998 177.5929 72 Q 4.0431 8.2101 121.6235 57.5674 29.2929 175.4711 73 E 4.2854 8.2261 117.3738 54.7233 29.8046 175.0829 74 L 4.4346 8.2822 126.9979 52.8207 42.8412 176.5195 75 G 3.8329 8.2786 116.4310 44.7820 0.0000 171.2319 76 K 4.1635 8.3219 120.4897 55.7317 32.7712 176.9504 77 L 4.3149 8.3212 126.0769 54.3906 42.4863 177.1039 78 L 4.5762 8.1239 122.5484 53.1716 41.1628 175.1239 79 I 4.1604 7.9540 122.9054 60.1828 38.3083 176.1581 80 G 4.1383 8.6758 113.2959 44.3534 0.0000 172.7607 81 E 4.8140 9.4007 117.1689 56.3170 31.5068 176.7925 82 H 4.8876 7.9293 113.6086 53.7152 32.6515 174.1392 83 T 4.1928 8.3732 118.5538 67.0626 68.4413 175.9579 84 K 3.8550 8.2494 120.8615 59.6856 32.1780 178.4814 85 E 3.9041 8.0157 118.9382 59.4794 29.7022 178.3772 86 M 3.9724 8.3144 119.0024 58.4517 31.9689 178.7260 87 L 4.1048 8.1967 119.0356 57.9882 41.7313 179.5129 88 E 4.0074 8.0143 118.1472 59.4319 29.3371 179.2938 89 C 4.2297 8.4020 117.2386 62.9313 28.1982 175.8087 90 D 4.6957 8.3417 120.5413 57.2390 40.3156 178.5621 91 L 4.0022 8.1919 120.8730 58.2091 42.0665 178.9689 92 K 3.9053 8.4240 118.7985 59.6267 31.8761 178.7531 93 L 3.9855 8.1791 120.2483 58.3387 41.8718 178.5453 94 E 4.0915 8.5899 118.1229 60.0000 29.6714 179.4407 95 Q 4.1851 8.5563 117.7299 58.7091 28.7052 178.0655 96 A 4.2815 8.3437 120.3449 53.8688 18.7610 178.8443 97 G 3.8508 7.9215 103.7563 45.9799 0.0000 176.2101 98 L 4.0370 7.6526 121.7745 57.5417 41.6852 177.5639 99 P 4.2799 0.0000 0.0000 65.7676 31.2324 178.4215 100 D 4.3907 8.0248 117.2309 57.2276 40.8485 178.6307 101 L 4.0174 7.8142 119.0673 57.8432 41.6779 179.7817 102 K 4.1507 8.3254 118.2524 59.2382 31.8669 179.3598 103 A 4.0501 8.1008 121.0544 54.7611 18.2627 179.6388 104 A 3.6390 8.0319 119.5333 55.1705 18.5016 179.8461 105 I 3.6441 8.2206 118.5500 64.6424 37.3024 178.5438 106 A 4.0410 8.1331 121.4562 55.2717 18.2356 179.1212 107 Y 3.7704 7.7768 117.8790 60.9581 38.9120 177.7227 108 C 4.1329 8.3343 117.7397 62.6024 28.1524 175.8788 109 E 3.9572 8.1540 120.5002 59.5390 28.9273 179.3141 110 S 4.0395 7.4932 112.5907 61.2530 62.8530 176.0335 111 V 3.9771 7.0403 112.1923 60.2128 31.6446 176.7927 112 G 2.9561 7.2976 106.8960 46.1070 0.0000 175.3235 113 D 4.4731 7.3192 121.0162 52.6952 37.6335 176.1670 114 Y 4.2673 7.1205 122.1583 61.0290 38.6569 177.9390 115 A 4.0672 8.2210 121.0965 55.5867 18.4418 179.7080 116 S 4.1371 8.2064 113.1137 61.6553 62.8178 176.8360 117 R 3.9186 7.9401 121.2706 59.4365 29.7974 178.2791 118 E 4.1166 8.4233 118.4137 59.4311 29.6044 178.8567 119 L 3.9067 7.8043 119.8908 58.5088 42.0819 179.0270 120 L 4.0225 8.1373 118.6321 57.8956 41.5188 179.4627 121 E 3.9814 8.5539 118.9601 59.3996 29.3574 179.1018 122 D 4.2739 8.0338 118.8390 57.4953 40.8992 178.5404 123 I 3.4542 7.5338 119.9525 64.4063 37.1228 177.9219 124 L 3.9269 8.1569 121.1308 58.5128 41.7634 178.9631 125 E 3.9798 8.1293 118.2304 59.4956 29.4185 179.3884 126 S 4.0929 8.0752 113.2079 61.3373 62.3700 176.0759 127 E 4.0221 8.4074 121.6417 59.4873 29.2255 179.1718 128 E 4.0123 8.4253 118.6315 59.2736 29.3730 179.2421 129 D 4.4018 7.8618 118.9023 57.6703 40.8997 178.2423 130 H 4.3445 8.0815 116.4692 59.3145 28.7100 177.7344 131 I 3.8139 8.1238 121.5256 64.4939 36.8235 178.0437 132 D 4.3074 8.2652 118.6859 57.1127 41.1669 177.9694 133 W 4.1313 8.6686 129.2795 60.4492 30.6959 177.6904 134 L 3.7097 8.5599 119.1794 58.0525 41.2554 179.4103 135 E 3.9137 8.4022 118.4968 59.7887 29.3126 179.6844 136 T 3.7996 8.0095 115.9132 66.5949 68.4506 176.7955 137 Q 3.6203 7.4439 120.0167 58.7180 28.4879 178.7074 138 L 3.8000 7.5658 119.9650 57.5709 41.6743 179.3130 139 D 4.2756 7.8486 118.8232 56.9597 40.7988 178.5728 140 L 3.9279 7.8200 119.5708 57.8670 41.6472 179.4328 141 I 3.4828 7.2496 119.4663 64.5686 36.9081 177.8722 142 D 4.3888 7.5525 116.1713 56.0400 41.0261 177.2736 143 K 4.3147 7.5706 117.5654 57.9475 33.1982 177.6465 144 I 4.2553 8.2336 110.8360 59.5888 39.0799 176.5923 145 G 3.9408 8.0218 108.8467 45.6833 0.0000 174.1659 146 L 3.9586 8.6686 123.4420 58.1990 41.8022 179.5041 147 E 3.9326 8.0663 117.7228 59.5610 29.5799 178.7943 148 N 4.2987 8.1213 115.9174 56.5277 38.4487 176.6094 149 Y 3.9775 8.1439 120.0627 60.8292 39.2976 178.0106 150 L 4.0409 8.3494 120.0274 57.5019 41.6817 179.1892 151 Q 3.9400 8.2742 120.0862 59.3060 28.8063 178.4995 152 S 4.1825 7.9800 114.7213 60.5945 62.9271 175.5188 153 Q 4.3323 7.3023 119.0767 55.8401 28.6759 177.1890 154 M 4.2371 7.9336 123.7848 57.5349 31.8384 176.0592 155 D 4.2347 7.6964 121.2237 53.6977 39.3865 174.7503 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.20 0.00 1.30 1.75 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 2 K 8.53 4.08 0.00 1.70 1.70 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.50 7.81 3 G 8.64 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 0.00 0.00 0.00 4 D 8.40 4.65 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.12 3.80 0.00 1.84 1.80 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.53 7.81 6 I 7.83 3.59 1.96 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 1.42 0.09 -0.19 0.00 0.00 7 V 8.09 3.72 2.34 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 1.15 0.00 0.00 1.21 0.00 0.00 8 I 8.20 3.74 1.98 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 1.73 0.72 0.89 0.00 0.00 9 Q 7.79 3.93 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 10 H 7.96 4.06 0.00 3.33 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.03 4.01 0.00 2.03 1.74 0.96 0.62 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 12 N 8.48 4.32 0.00 2.90 2.84 0.00 0.00 6.71 6.99 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 13 K 8.53 3.93 0.00 1.74 1.95 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.08 3.68 2.01 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 1.74 1.05 0.92 0.00 0.00 15 L 8.35 4.07 0.00 1.79 1.87 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.13 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.09 4.46 0.00 2.99 2.88 0.00 0.00 7.02 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.19 3.90 0.00 2.14 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 2.59 2.53 0.00 19 L 7.88 3.91 0.00 1.66 1.69 0.90 0.70 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 20 I 7.39 3.58 1.99 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 1.41 0.77 0.88 0.00 0.00 21 A 7.70 3.32 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 22 I 7.73 3.55 1.97 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 1.46 0.72 0.83 0.00 0.00 23 N 7.83 4.32 0.00 2.71 2.83 0.00 0.00 6.77 9.19 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 24 Q 8.04 3.86 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 25 Y 8.05 4.70 0.00 3.01 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 26 F 8.57 3.92 0.00 3.32 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.17 3.93 0.00 1.91 1.75 0.89 0.91 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 28 H 8.24 3.92 0.00 3.40 3.14 0.00 5.69 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 29 A 8.42 4.12 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 30 R 7.84 3.80 0.00 1.68 1.86 0.00 3.15 0.00 0.00 2.91 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.72 0.00 31 M 7.60 3.45 0.00 0.90 1.65 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.19 0.00 32 Y 7.57 4.55 0.00 3.24 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 33 E 8.24 3.92 0.00 2.27 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 2.22 2.33 0.00 34 D 8.14 4.35 0.00 2.52 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 35 W 7.96 4.93 0.00 3.74 3.12 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 36 G 8.51 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 0.00 0.00 0.00 0.00 37 L 8.03 4.85 0.00 2.04 1.66 1.19 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.38 4.08 0.00 1.96 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 2.69 2.49 0.00 39 K 7.71 3.81 0.00 1.74 1.89 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.48 7.81 40 L 7.88 4.07 0.00 1.59 1.51 1.00 0.78 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 41 G 8.43 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 0.00 0.00 0.00 42 K 8.69 3.88 0.00 1.81 1.96 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.42 7.81 43 H 8.21 3.88 0.00 3.24 3.02 0.00 5.65 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 44 E 8.27 3.90 0.00 2.54 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 0.00 2.63 2.67 0.00 45 Y 8.24 3.95 0.00 3.06 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 46 H 8.25 4.01 0.00 3.24 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.18 3.78 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.81 0.00 48 S 8.05 4.37 0.00 4.39 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 49 I 7.39 3.63 1.88 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.87 0.00 0.00 50 D 8.28 4.28 0.00 2.88 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.99 3.92 0.00 2.10 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 2.83 2.56 0.00 52 M 8.08 4.04 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 53 K 7.88 4.07 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.72 7.81 54 H 8.52 4.26 0.00 3.42 3.33 0.00 5.64 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 55 A 8.22 3.99 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 56 D 8.03 4.25 0.00 2.96 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 57 K 8.11 3.91 0.00 2.03 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.69 7.81 58 L 7.90 3.99 0.00 1.89 1.74 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.91 3.70 2.03 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 0.96 0.92 0.00 0.00 60 K 8.19 3.99 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.47 1.64 7.81 61 R 8.30 4.00 0.00 2.04 2.15 0.00 3.38 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 62 I 8.23 3.70 2.03 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 1.54 0.78 0.91 0.00 0.00 63 L 8.17 4.01 0.00 1.91 1.76 0.94 0.85 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 64 F 8.29 4.39 0.00 2.97 3.32 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 0.00 65 L 8.03 4.50 0.00 1.78 1.58 0.79 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.04 3.78 0.00 2.05 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 2.17 2.10 0.00 67 G 8.19 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 0.00 0.00 0.00 68 L 8.06 4.56 0.00 1.60 1.60 0.91 0.98 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 69 P 0.00 4.43 0.00 2.03 1.99 0.00 3.61 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 2.03 2.08 0.00 70 N 8.36 4.77 0.00 2.56 2.68 0.00 0.00 7.10 8.40 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 71 L 8.21 4.51 0.00 1.63 1.64 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.21 4.04 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 E 8.23 4.29 0.00 1.97 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 2.51 2.20 0.00 74 L 8.28 4.43 0.00 1.55 1.55 0.89 1.06 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 75 G 8.28 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.32 4.16 0.00 1.73 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.45 7.81 77 L 8.32 4.31 0.00 1.64 1.55 0.92 0.94 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 78 L 8.12 4.58 0.00 1.85 1.66 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.95 4.16 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.93 0.00 0.00 80 G 8.68 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 0.00 0.00 0.00 0.00 81 E 9.40 4.81 0.00 1.97 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 2.30 2.37 0.00 82 H 7.93 4.89 0.00 3.22 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.37 4.19 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 84 K 8.25 3.86 0.00 1.83 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.45 7.81 85 E 8.02 3.90 0.00 1.71 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 2.35 2.37 0.00 86 M 8.31 3.97 0.00 1.82 2.34 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.44 0.00 87 L 8.20 4.10 0.00 1.83 1.67 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.01 4.01 0.00 2.20 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 2.32 2.47 0.00 89 C 8.40 4.23 0.00 3.24 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 90 D 8.34 4.70 0.00 2.92 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 91 L 8.19 4.00 0.00 1.92 1.89 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.42 3.91 0.00 2.02 1.90 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.77 7.81 93 L 8.18 3.99 0.00 2.15 1.81 0.85 0.86 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 94 E 8.59 4.09 0.00 2.22 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 0.00 2.79 2.69 0.00 95 Q 8.56 4.19 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 96 A 8.34 4.28 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 97 G 7.92 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 98 L 7.65 4.04 0.00 1.82 1.76 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.28 0.00 2.17 2.12 0.00 3.66 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 2.13 2.20 0.00 100 D 8.02 4.39 0.00 2.85 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 0.00 101 L 7.81 4.02 0.00 1.87 1.72 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.33 4.15 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.72 7.81 103 A 8.10 4.05 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 0.00 104 A 8.03 3.64 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 0.00 105 I 8.22 3.64 2.02 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 1.48 0.69 0.94 0.00 0.00 106 A 8.13 4.04 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 0.00 107 Y 7.78 3.77 0.00 3.16 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 0.00 108 C 8.33 4.13 0.00 3.17 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 0.00 109 E 8.15 3.96 0.00 2.18 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 2.40 2.51 0.00 110 S 7.49 4.04 0.00 3.87 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 0.00 111 V 7.04 3.98 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 0.34 0.00 0.00 0.83 0.00 0.00 112 G 7.30 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 0.00 0.00 0.00 113 D 7.32 4.47 0.00 2.74 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 0.00 114 Y 7.12 4.27 0.00 3.10 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.22 4.07 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 0.00 116 S 8.21 4.14 0.00 4.17 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 0.00 117 R 7.94 3.92 0.00 1.97 2.24 0.00 3.17 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 118 E 8.42 4.12 0.00 2.28 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 2.38 2.50 0.00 119 L 7.80 3.91 0.00 1.77 1.92 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.14 4.02 0.00 1.87 1.72 0.94 0.83 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 0.00 121 E 8.55 3.98 0.00 2.22 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 2.35 2.58 0.00 122 D 8.03 4.27 0.00 2.84 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 0.00 123 I 7.53 3.45 1.93 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 1.18 0.75 0.75 0.00 0.00 124 L 8.16 3.93 0.00 1.82 1.85 0.94 1.02 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 0.00 125 E 8.13 3.98 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 126 S 8.08 4.09 0.00 3.94 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 0.00 127 E 8.41 4.02 0.00 2.16 2.05 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 2.54 2.53 0.00 128 E 8.43 4.01 0.00 2.16 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 2.36 2.59 0.00 129 D 7.86 4.40 0.00 2.87 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 0.00 130 H 8.08 4.34 0.00 3.48 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.12 3.81 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.95 0.96 0.00 0.00 132 D 8.27 4.31 0.00 3.00 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 0.00 133 W 8.67 4.13 0.00 3.47 3.43 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 0.00 134 L 8.56 3.71 0.00 1.93 1.71 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.40 3.91 0.00 1.96 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 2.32 2.66 0.00 136 T 8.01 3.80 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 1.13 0.00 0.00 137 Q 7.44 3.62 0.00 1.62 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.57 3.80 0.00 1.72 1.59 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 139 D 7.85 4.28 0.00 2.77 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 0.00 140 L 7.82 3.93 0.00 1.85 1.72 0.90 0.68 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 0.00 141 I 7.25 3.48 1.77 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.18 0.78 0.00 0.00 142 D 7.55 4.39 0.00 2.63 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 0.00 143 K 7.57 4.31 0.00 1.91 1.82 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.50 7.81 144 I 8.23 4.26 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.67 0.99 0.00 0.00 145 G 8.02 3.94 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 0.00 0.00 0.00 146 L 8.67 3.96 0.00 1.74 1.68 0.94 0.93 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 0.00 147 E 8.07 3.93 0.00 2.05 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 2.38 2.39 0.00 148 N 8.12 4.30 0.00 2.91 2.88 0.00 0.00 6.65 7.48 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 0.00 149 Y 8.14 3.98 0.00 2.89 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 0.00 150 L 8.35 4.04 0.00 1.89 1.69 0.90 1.02 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 0.00 151 Q 8.27 3.94 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 152 S 7.98 4.18 0.00 3.80 3.75 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 0.00 153 Q 7.30 4.33 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 154 M 7.93 4.24 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.40 0.00 155 D 7.70 4.23 0.00 2.72 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