NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B P 4.4202 0.0000 0.0000 62.3936 32.8192 175.0564 2B Q 4.3969 8.3948 119.9979 53.8246 31.6574 172.8400 3B I 4.4653 8.1326 125.7493 59.5932 40.2441 175.2561 4B T 4.2338 8.3657 115.3301 61.2811 69.8706 174.2119 5B L 4.7377 7.6486 120.3206 54.3826 42.2278 177.8506 6B W 4.4575 7.9123 121.4291 59.1808 29.0767 176.1369 7B Q 4.7391 7.7561 114.7819 53.3531 30.9705 175.2621 8B R 4.0114 8.3527 118.8193 56.1490 30.9369 176.6705 9B P 4.6772 0.0000 0.0000 62.2045 29.4128 174.6106 10B L 4.9589 7.6297 123.0491 54.9345 43.4487 177.2448 11B V 4.6113 9.0940 115.8515 59.8352 36.6476 174.4202 12B T 4.9159 8.4110 118.7503 63.1087 69.6602 174.6021 13B I 5.0412 9.1195 120.8127 59.1800 41.0983 174.5178 14B R 5.5010 8.4194 118.1637 53.7699 32.6973 174.8692 15B I 4.5099 8.4324 121.7794 60.9678 39.2048 175.2667 16B G 3.7743 8.5495 117.9699 44.4407 0.0000 172.2836 17B G 4.0620 8.5233 112.0065 45.8927 0.0000 172.9311 18B Q 4.6086 7.6492 119.8797 53.7899 30.6582 175.1947 19B L 4.8523 8.5011 124.3103 54.5973 42.6740 176.4233 20B K 4.7306 9.0997 121.7009 54.5428 36.7732 174.7765 21B E 4.9556 8.7208 122.7073 55.5892 30.8150 175.1024 22B A 4.8603 9.2238 126.8413 50.4887 23.6423 174.4385 23B L 4.7260 9.0924 122.3910 53.8216 43.8421 175.8018 24B L 4.5419 9.0852 127.4478 54.6373 41.8328 176.4084 25B D 4.8582 8.8472 125.5434 52.4325 42.8196 176.4922 26B T 4.1103 8.7826 116.7841 63.4074 69.2932 175.7174 27B G 3.7299 7.9248 109.4905 45.8831 0.0000 173.2252 28B A 4.4056 7.7397 123.2097 50.8189 19.7283 177.9387 29B D 4.4593 9.0157 123.2486 56.8524 42.1675 176.2394 30B D 5.1127 8.0648 116.2992 52.7127 45.0538 175.2999 31B T 4.8711 7.9122 117.4744 62.2051 70.5920 174.0255 32B V 4.8478 8.5275 126.7825 61.0908 34.1177 174.2820 33B L 5.3136 9.0033 128.0353 52.3146 44.8620 176.0150 34B E 4.4404 9.4614 120.3036 56.3462 30.3226 176.3043 35B E 3.9635 7.9148 121.7819 57.3924 29.8368 176.3388 36B M 4.6238 8.3796 122.1489 54.2388 33.9230 174.3929 37B N 4.6465 8.3767 118.5041 51.7726 38.3506 174.6824 38B L 4.2931 7.8214 123.3332 53.0713 42.8023 175.5596 39B P 4.5271 0.0000 0.0000 63.0806 32.3240 174.7326 40B G 4.1049 8.3963 105.3796 44.1208 0.0000 172.7458 41B K 4.5634 8.3645 120.1148 54.0472 34.5754 174.4620 42B W 5.1366 7.2235 118.4608 54.7503 31.6241 174.0906 43B K 4.7631 8.7711 119.3459 53.7987 34.9753 174.1079 44B P 5.1949 0.0000 0.0000 62.9398 32.5441 175.2897 45B K 4.7244 9.2003 122.2160 55.4700 36.3848 174.2911 46B M 5.2642 8.7534 124.8468 53.7103 33.8529 175.2411 47B I 4.5896 8.7288 117.8778 59.1442 40.6204 175.0320 48B G 3.3735 8.0860 110.5082 44.5217 0.0000 173.0015 49B G 3.8582 8.1560 108.6794 44.9746 0.0000 175.0292 50B I 3.6562 8.8225 121.8213 64.3870 37.1280 177.1774 51B G 3.9751 9.0397 104.7317 44.3886 0.0000 173.4000 52B G 3.7693 6.2813 105.9061 44.1077 0.0000 172.7650 53B F 5.4299 8.6132 118.8148 55.7058 41.8317 175.1686 54B I 4.8217 8.5467 113.9403 59.1222 41.3209 174.2549 55B K 4.9834 8.6019 122.2179 55.9226 33.3205 176.4651 56B V 4.6953 9.2486 116.3478 59.8650 36.9869 174.2612 57B R 4.9402 8.6078 120.8249 54.6146 32.5300 175.2839 58B Q 4.8819 9.5799 126.4758 55.5129 30.5278 173.7376 59B Y 5.0067 9.1617 124.9670 56.5062 40.4299 174.8104 60B D 5.1263 8.8241 122.5958 52.8448 43.6675 175.7617 61B Q 3.4748 8.5065 116.8717 57.1238 26.5109 174.2017 62B I 4.1561 8.0328 118.3508 60.8816 38.8285 175.7961 63B L 4.9396 8.4592 128.6042 54.0886 43.4130 175.5576 64B I 4.8265 8.5769 126.0044 59.5648 41.4755 174.2158 65B E 4.8503 9.0002 125.4443 55.0899 31.4679 175.2030 66B I 4.1496 8.8156 127.3840 59.5938 38.9246 176.0503 67B C 3.8424 8.8960 127.3394 60.9173 25.8804 175.0510 68B G 3.9059 8.4205 105.4199 45.9456 0.0000 173.3225 69B H 4.8033 7.9787 117.9796 53.8689 30.3737 174.1334 70B K 4.9826 8.4839 123.4351 55.9095 33.4631 176.0017 71B A 4.9365 8.6510 123.4286 50.7173 23.2343 175.2724 72B I 5.0133 9.0443 120.6300 60.2215 41.1276 175.2392 73B G 4.0749 8.6270 112.9544 46.2837 0.0000 171.7018 74B T 4.8748 8.6894 116.8913 63.3897 69.3201 175.0638 75B V 4.7000 8.6051 118.7284 59.5507 35.4989 174.4428 76B L 5.1413 8.9716 124.8938 53.2438 44.0369 175.4793 77B V 4.7429 8.6348 123.9908 61.4530 33.9870 174.9562 78B G 4.3232 8.6581 114.0487 44.9857 0.0000 171.3812 79B P 4.8508 0.0000 0.0000 61.8637 30.2507 175.2942 80B T 4.4559 7.3102 116.7025 60.3328 69.2050 173.5699 81B P 4.1550 0.0000 0.0000 64.7482 31.6343 176.9383 82B V 4.4442 6.8780 115.4309 59.1019 34.0554 174.8502 83B N 4.6903 8.6906 120.3369 53.5440 39.7889 173.7092 84B I 4.5885 8.9346 125.4637 59.5353 40.0365 174.9572 85B I 4.1132 8.9712 129.8531 60.4519 38.1154 176.2093 86B G 4.3971 8.4746 115.5389 43.8889 0.0000 173.9395 87B R 4.1421 9.1044 118.8467 58.8408 30.1775 179.3637 88B N 4.3879 7.7189 113.6034 55.1769 37.6708 176.4512 89B L 4.4070 7.7988 117.8214 56.3113 42.6581 178.5761 90B L 4.0146 7.8607 119.3184 58.0133 41.4403 179.5737 91B T 3.9069 7.8671 109.3398 65.0279 68.2728 176.4637 92B Q 4.0682 7.7855 119.7518 57.9210 28.7701 176.8488 93B I 4.1267 7.5085 111.0889 60.2781 37.9469 175.6776 94B G 3.8108 7.7295 108.5236 46.9246 0.0000 173.4981 95B C 4.3379 7.8418 119.8540 58.5734 32.1836 172.7415 96B T 4.7446 8.1001 115.3296 59.7818 71.6798 172.7184 97B L 4.6639 8.2865 121.8041 53.4021 43.1650 176.1265 98B N 5.0993 8.6324 119.4392 51.5479 42.2325 173.8550 99B F 4.7935 8.7474 120.9834 56.0716 41.4182 176.0998 *200 G 4.1531 8.2952 110.1618 45.6083 0.0000 173.3976 201 G 4.2139 7.9906 109.6171 43.4307 0.0000 173.8555 202 S 5.2502 8.2090 115.3903 57.7579 63.9940 176.1122 203 S 3.7754 7.6923 120.0621 58.4246 59.9066 174.4400 204 G 4.7351 8.4247 114.7710 45.8802 0.0000 171.5890 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 1B P 0.00 4.42 0.00 2.07 2.07 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 2B Q 8.39 4.40 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 3B I 8.13 4.47 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.91 0.00 0.00 4B T 8.37 4.23 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 1.30 0.00 0.00 5B L 7.65 4.74 0.00 1.34 1.51 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 6B W 7.91 4.46 0.00 3.30 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 7B Q 7.76 4.74 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 8B R 8.35 4.01 0.00 1.81 1.88 0.00 3.21 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 9B P 0.00 4.68 0.00 2.10 2.20 0.00 3.67 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 2.14 1.97 0.00 10B L 7.63 4.96 0.00 1.56 1.64 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11B V 9.09 4.61 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 0.80 0.00 0.00 0.97 0.00 0.00 12B T 8.41 4.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 13B I 9.12 5.04 1.87 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 1.43 1.25 0.91 0.00 0.00 14B R 8.42 5.50 0.00 1.95 2.02 0.00 3.21 0.00 0.00 3.19 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 15B I 8.43 4.51 1.85 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 1.25 0.92 0.88 0.00 0.00 16B G 8.55 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 0.00 0.00 0.00 17B G 8.52 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 18B Q 7.65 4.61 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 7.26 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 19B L 8.50 4.85 0.00 1.53 1.59 0.92 0.87 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 20B K 9.10 4.73 0.00 1.62 1.62 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 21B E 8.72 4.96 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 22B A 9.22 4.86 1.17 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 23B L 9.09 4.73 0.00 1.73 1.64 0.93 0.86 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 24B L 9.09 4.54 0.00 1.51 1.62 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25B D 8.85 4.86 0.00 2.68 2.66 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 26B T 8.78 4.11 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 27B G 7.92 3.73 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 0.00 0.00 0.00 28B A 7.74 4.41 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 29B D 9.02 4.46 0.00 2.69 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 30B D 8.06 5.11 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31B T 7.91 4.87 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 32B V 8.53 4.85 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 1.04 0.00 0.00 0.93 0.00 0.00 33B L 9.00 5.31 0.00 1.52 1.48 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34B E 9.46 4.44 0.00 1.89 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 2.38 2.24 0.00 35B E 7.91 3.96 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 36B M 8.38 4.62 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 37B N 8.38 4.65 0.00 2.68 2.83 0.00 0.00 6.99 7.90 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 38B L 7.82 4.29 0.00 0.94 1.36 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 39B P 0.00 4.53 0.00 2.23 2.08 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 40B G 8.40 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 0.00 0.00 0.00 41B K 8.36 4.56 0.00 1.62 1.53 0.00 1.48 0.00 0.00 1.44 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.75 1.03 7.81 42B W 7.22 5.14 0.00 2.92 1.74 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 43B K 8.77 4.76 0.00 1.73 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.28 1.24 7.81 44B P 0.00 5.19 0.00 2.19 2.30 0.00 3.76 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 45B K 9.20 4.72 0.00 1.87 1.68 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.47 7.81 46B M 8.75 5.26 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 47B I 8.73 4.59 1.85 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 1.19 0.92 0.94 0.00 0.00 48B G 8.09 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49B G 8.16 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 50B I 8.82 3.66 1.84 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 1.32 0.82 0.89 0.00 0.00 51B G 9.04 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 52B G 6.28 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 0.00 0.00 0.00 53B F 8.61 5.43 0.00 2.88 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 54B I 8.55 4.82 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.85 0.93 0.00 0.00 55B K 8.60 4.98 0.00 1.68 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.51 7.81 56B V 9.25 4.70 2.10 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 0.82 0.00 0.00 1.02 0.00 0.00 57B R 8.61 4.94 0.00 1.53 1.21 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.10 0.00 58B Q 9.58 4.88 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 59B Y 9.16 5.01 0.00 3.17 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 60B D 8.82 5.13 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61B Q 8.51 3.47 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 62B I 8.03 4.16 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.89 0.00 0.00 63B L 8.46 4.94 0.00 1.66 1.56 0.92 1.03 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 64B I 8.58 4.83 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.91 0.00 0.00 65B E 9.00 4.85 0.00 1.91 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 2.25 2.27 0.00 66B I 8.82 4.15 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.91 0.00 0.00 67B C 8.90 3.84 0.00 3.12 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 68B G 8.42 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 0.00 0.00 0.00 69B H 7.98 4.80 0.00 3.46 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70B K 8.48 4.98 0.00 1.65 1.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 71B A 8.65 4.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72B I 9.04 5.01 1.89 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 1.17 0.70 0.93 0.00 0.00 73B G 8.63 4.07 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 0.00 74B T 8.69 4.87 4.28 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 1.31 0.00 0.00 75B V 8.61 4.70 2.10 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 0.71 0.00 0.00 0.97 0.00 0.00 76B L 8.97 5.14 0.00 1.60 1.61 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77B V 8.63 4.74 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 0.95 0.00 0.00 0.81 0.00 0.00 78B G 8.66 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 0.00 0.00 0.00 0.00 79B P 0.00 4.85 0.00 2.18 2.09 0.00 3.74 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 80B T 7.31 4.46 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 1.35 0.00 0.00 81B P 0.00 4.16 0.00 2.21 2.16 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 82B V 6.88 4.44 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 0.92 0.00 0.00 83B N 8.69 4.69 0.00 2.82 2.78 0.00 0.00 7.02 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84B I 8.93 4.59 1.86 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 1.22 0.88 0.94 0.00 0.00 85B I 8.97 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 0.91 0.00 0.00 86B G 8.47 4.40 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 0.00 87B R 9.10 4.14 0.00 1.84 2.00 0.00 3.13 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 88B N 7.72 4.39 0.00 2.89 2.97 0.00 0.00 7.13 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 89B L 7.80 4.41 0.00 1.71 1.74 0.93 0.69 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 90B L 7.86 4.01 0.00 1.71 1.71 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 91B T 7.87 3.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 92B Q 7.79 4.07 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.31 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 93B I 7.51 4.13 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.49 1.03 0.00 0.00 94B G 7.73 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 95B C 7.84 4.34 0.00 3.12 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96B T 8.10 4.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 97B L 8.29 4.66 0.00 1.71 1.79 0.98 0.98 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 98B N 8.63 5.10 0.00 2.70 2.73 0.00 0.00 6.96 7.47 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 99B F 8.75 4.79 0.00 2.96 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 *200 G 8.30 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 0.00 0.00 0.00 201 G 7.99 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 0.00 0.00 0.00 0.00 202 S 8.21 5.25 0.00 3.97 3.88 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 0.00 0.00 0.00 203 S 7.69 3.78 0.00 4.08 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 0.00 204 G 8.42 4.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.