NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5118 8.3044 120.4066 55.7202 34.2790 177.0743 2 S 3.4852 8.5379 116.4611 58.3020 64.2176 169.4718 3 F 4.6991 9.3906 118.6579 58.2586 40.2698 175.8878 4 T 4.4590 9.0678 120.6068 61.6241 68.4831 171.1113 5 N 5.0699 8.4872 125.9387 52.6187 40.3852 174.4134 6 A 4.5634 8.1978 121.0842 51.9430 19.6746 178.8214 7 T 4.1982 8.7900 120.6558 63.0788 67.9766 178.2354 8 F 3.4447 8.4915 123.9797 60.1693 41.9870 177.5998 9 S 3.9511 8.3192 118.4605 61.7631 61.9189 176.3284 10 Q 4.0169 8.0959 119.9362 58.9852 28.3934 179.0251 11 V 3.6436 7.5049 118.6955 65.9831 31.7656 177.8886 12 L 3.6787 7.3862 118.6442 57.8663 41.1592 179.3323 13 D 4.3989 7.8239 118.6523 57.1154 40.7201 178.3119 14 D 4.3820 7.8640 118.7026 57.3009 41.3198 178.3299 15 L 4.4016 8.3272 119.7392 57.7335 41.5895 179.3638 16 S 4.1374 8.3199 113.1958 61.1996 61.8635 175.9168 17 A 4.1533 7.9371 123.3613 54.6390 18.2111 179.6791 18 R 3.6753 8.0412 115.9367 58.3755 30.3044 178.1065 19 F 4.5161 7.9747 115.4172 58.6227 40.5467 177.4528 20 I 4.1974 7.5749 118.2931 63.4832 37.5516 178.1042 21 L 4.0745 7.8320 118.9861 57.5675 41.7741 178.5491 22 N 4.3872 7.5761 116.4816 55.9353 39.0877 175.2862 23 L 4.0163 7.3578 116.6230 54.1193 42.5805 175.3188 24 P 4.2232 0.0000 0.0000 63.0734 31.9018 177.5747 25 A 4.0461 8.6452 123.9243 55.0615 18.1137 179.7121 26 E 3.9861 8.1180 114.5660 58.4953 30.2634 177.8742 27 E 4.3786 7.8448 118.4053 56.4278 29.8198 177.1757 28 Q 4.2577 7.5527 118.6205 57.1149 28.8651 176.4895 29 S 3.1450 7.0958 112.4973 56.7509 63.7976 174.0492 30 S 4.1720 7.5430 116.6200 57.9246 63.3526 174.8579 31 V 3.6213 8.2424 128.5910 66.2181 31.4719 177.9154 32 E 3.9906 8.0700 117.9053 59.3717 29.2809 179.3590 33 R 4.1117 7.9185 117.6970 58.9469 30.1434 178.9126 34 L 4.0301 8.1148 118.9595 58.0912 41.6864 179.3978 35 C 3.8353 8.0094 116.5688 62.5680 27.8934 175.8985 36 F 4.3048 8.0621 121.9528 61.5224 38.9593 177.2551 37 Q 4.0540 8.4867 117.8537 58.8235 28.3875 178.6080 38 I 3.9121 8.1789 121.4749 63.9880 37.2307 177.6753 39 E 3.9655 8.1773 119.6851 58.3711 29.5870 178.3923 40 Q 4.0277 7.8516 118.2091 58.6949 28.7067 178.2632 41 A 2.9602 7.4632 121.4031 54.3010 18.3392 179.1190 42 H 3.0068 7.4661 117.1933 58.3842 29.7972 177.4871 43 W 4.3679 7.5229 120.5827 59.9343 28.9580 178.1742 44 F 4.5345 8.5832 120.8504 61.6467 38.6816 176.5645 45 Y 4.0942 8.0299 118.7581 60.5611 38.4358 177.3836 46 E 3.8642 8.0983 118.6125 59.1365 29.7532 178.3590 47 D 4.5812 8.6483 118.0553 55.6865 41.3912 177.1281 48 F 4.5247 7.7118 118.1896 59.8171 40.9821 177.4015 49 I 3.5308 7.4118 119.1167 64.4765 36.7767 178.8136 50 R 3.7763 7.3976 116.8870 58.4809 29.7499 178.9031 51 A 3.9735 7.3902 119.8407 55.3047 18.6622 179.4137 52 Q 3.5691 7.1352 114.3672 58.3804 29.0409 177.1690 53 N 4.9741 8.0471 118.3337 52.9117 39.2460 175.1686 54 D 5.2206 8.3057 123.2553 55.7932 41.1631 177.3523 55 Q 4.3759 7.8939 114.6454 55.9724 28.7183 175.6770 56 L 4.3593 7.5859 118.7797 53.3996 42.5577 174.7239 57 P 4.4943 0.0000 0.0000 62.0819 32.1923 176.2913 58 S 4.7053 8.5727 117.4821 58.2653 63.8933 173.7235 59 L 4.5336 9.3058 122.3391 53.9461 43.7639 176.6711 60 G 4.2697 8.3682 107.5346 44.2295 0.0000 174.0792 61 L 3.5707 8.1324 121.4603 57.7916 42.1489 178.9648 62 R 3.8391 7.8782 117.1297 59.8795 29.8814 178.8688 63 V 3.6273 7.5781 116.5570 66.0939 31.9434 177.7193 64 F 4.0138 7.8747 119.6967 61.6268 39.0839 177.1161 65 S 4.2867 8.3810 112.2880 61.2978 62.2313 176.0061 66 A 3.9616 7.8031 123.5768 55.2041 17.9437 179.8428 67 K 3.9762 7.9293 115.8280 59.1386 32.2248 179.3026 68 L 3.8427 7.8243 120.7856 58.1269 41.8802 178.6312 69 F 3.9619 8.2004 116.2826 59.9656 40.2910 177.2690 70 A 4.3037 7.8996 121.1101 48.5232 16.0992 176.7581 71 H 5.3346 7.0947 132.3931 56.3900 29.4812 174.9274 72 C 4.5755 7.3287 118.8486 55.8903 32.2485 172.2121 73 P 4.3133 0.0000 0.0000 65.0508 30.4241 177.9602 74 L 4.0104 7.9747 118.8879 58.3827 41.7463 178.7987 75 L 3.7200 7.7024 118.0130 58.0020 42.0160 177.6400 76 W 4.4022 7.6044 127.1766 60.5604 30.5026 177.4487 77 K 3.7267 7.6908 119.0618 58.7681 32.1426 177.4679 78 W 4.1207 6.8781 122.7547 55.7113 28.3785 175.9550 *82 H 4.5218 8.5247 124.0492 55.9709 29.2379 173.0425 83 E 4.3136 8.5122 126.1445 58.0072 29.9991 178.2805 84 E 3.9997 8.2783 119.4620 59.5457 29.8683 178.8680 85 A 4.1361 7.9212 119.9895 54.8088 18.2900 179.1436 86 F 4.0928 7.7816 120.0337 61.1522 39.3934 177.2984 87 D 4.3190 7.9668 119.1155 57.1818 40.6224 177.9809 88 D 4.0962 8.5171 119.0403 57.2897 40.6579 178.2109 89 F 4.1849 7.9595 120.7344 60.8072 39.1894 176.9672 90 L 3.8168 7.3623 118.1968 56.3958 41.3441 179.2354 91 R 3.6070 7.6518 118.5837 59.3584 30.1065 177.4910 92 Y 4.6644 6.9983 113.4950 58.8865 38.3363 176.4547 93 K 4.3121 7.0061 117.1282 56.0462 31.7987 176.5840 94 T 3.7500 7.2225 117.5082 64.0944 68.4053 174.9301 95 R 3.7338 8.5274 125.9768 56.5258 30.4193 172.0625 96 I 3.2192 7.2723 126.3327 60.4964 36.2147 171.5289 97 P 4.6147 0.0000 0.0000 62.7445 32.6291 175.5378 98 V 5.3478 8.7819 123.8711 60.5985 33.6334 174.5422 99 R 5.4540 7.8346 125.9319 53.9848 33.2676 174.8715 100 G 4.1447 8.3292 108.9323 46.1247 0.0000 171.5666 101 A 5.1466 8.4657 123.7215 50.9597 23.0797 176.8744 102 I 3.8091 8.2368 122.4306 59.8798 38.7669 174.8379 103 M 4.8512 8.2921 128.0905 54.3313 33.1981 175.9214 104 L 5.8314 8.7875 124.2750 52.9081 44.0536 177.2440 105 D 4.8265 8.6865 119.3042 53.3121 39.7122 175.6893 106 M 3.6808 8.5872 122.1659 56.6658 29.3884 177.3203 107 S 4.2264 8.1208 110.7151 59.1903 63.5868 173.6325 108 M 3.2744 8.1072 119.3018 56.9842 29.2128 177.0352 109 Q 4.5878 8.4784 117.5347 56.0547 31.5196 175.9243 110 Q 5.3103 8.2701 117.3486 54.0807 33.3411 173.9624 111 C 6.1069 8.9349 115.4951 55.4265 33.8179 172.9544 112 V 3.7559 8.0011 120.1614 62.0602 31.8220 175.1048 113 L 4.9440 8.7040 128.1682 52.9083 45.1719 175.6904 114 V 5.0724 8.8883 119.8204 60.2292 35.4750 174.2369 115 K 4.3034 8.0139 120.6954 55.1839 35.7345 175.8275 116 G 4.0311 7.9693 113.8585 44.7545 0.0000 173.3479 117 W 4.8179 8.5014 119.2700 56.4585 29.5814 176.7678 118 K 4.4027 7.5709 118.7382 55.2200 32.9599 177.8903 119 A 3.9054 8.5167 123.6492 55.7326 18.3613 179.2418 120 S 4.2572 8.2606 105.5021 59.5557 63.3554 175.9114 121 S 3.2729 8.1524 114.7377 58.2372 63.9345 176.4672 122 G 3.9063 8.7062 115.1706 46.3054 0.0000 171.7347 123 W 4.7895 8.2956 119.4613 54.8909 31.5567 175.6097 124 G 3.9496 8.7994 109.5154 44.8476 0.0000 172.1178 125 F 4.8598 8.0071 118.9987 56.1738 40.0872 174.0500 126 P 5.1031 0.0000 0.0000 62.8606 31.9584 175.3286 127 K 4.5694 7.9944 121.6986 56.7241 36.1188 174.0607 128 G 3.9215 7.3016 106.6606 45.5648 0.0000 171.7886 129 K 4.6177 8.5911 119.1711 55.9605 32.4993 177.5034 130 I 3.8593 8.3414 125.7737 61.5325 38.3239 175.1357 131 D 4.9640 9.3179 127.9534 53.1258 42.9840 175.6512 132 K 4.2895 8.5025 118.0286 57.4620 33.3837 175.5825 133 D 4.4062 8.4705 121.9494 55.2445 38.6979 172.8953 134 E 4.6935 7.4777 117.6905 54.1119 32.1372 176.1940 135 S 4.3792 8.5681 121.3276 58.0443 64.9009 175.0298 136 D 4.4693 8.7729 125.4674 57.9524 40.6639 180.0657 137 V 3.2707 7.6959 117.7512 65.9158 31.6039 177.3866 138 D 4.3377 8.0815 118.2064 57.6881 40.5949 178.2826 139 C 4.0644 8.2789 118.6999 62.4939 31.5381 175.5710 140 A 4.0587 7.8264 122.3042 55.2845 18.0131 179.7079 141 I 3.6889 7.7891 118.3940 64.3329 37.0462 178.7854 142 R 3.9172 8.2164 119.5842 59.5400 30.1377 178.2374 143 E 3.9705 8.3858 118.6031 59.5299 29.4265 179.5933 144 V 3.6279 7.8879 118.1211 66.3137 31.5247 177.4779 145 Y 4.2703 8.2199 119.1882 60.5258 38.4021 177.3861 146 E 3.9154 8.4494 119.3323 59.0368 29.8622 178.4331 147 E 4.2583 8.2427 118.2579 57.7098 29.8617 177.9130 148 T 4.3156 8.1294 107.1641 60.3015 70.5216 175.6981 149 G 3.7034 7.8084 109.3475 45.7106 0.0000 172.6548 150 F 4.8194 7.9421 121.5857 56.2916 40.5548 175.2082 151 D 4.5408 8.0471 128.1925 53.2678 40.0256 174.9131 152 C 4.4539 7.9937 124.1733 58.2309 30.6116 176.4298 153 S 4.0397 7.3643 117.9420 61.9761 62.0986 174.8164 154 S 4.4666 7.8428 112.4065 58.9999 63.3265 174.3818 155 R 4.6328 7.6176 114.6186 55.4308 30.7644 174.8467 156 I 3.8372 7.5650 119.9641 60.9269 38.6653 174.3984 157 N 4.9858 8.5482 125.2619 51.0098 40.6144 173.2024 158 P 4.5488 0.0000 0.0000 65.4647 31.5651 176.9138 159 N 4.8646 8.9466 113.7543 53.6077 39.2251 174.5619 160 E 4.7760 8.1637 119.3317 55.1157 31.7044 174.8757 161 F 4.9056 7.7376 116.9874 56.1201 40.6628 173.2902 162 I 4.5134 8.3716 121.5822 59.8662 39.0489 174.0324 163 D 5.5914 8.8768 127.2788 52.8056 43.0263 174.8192 164 M 4.7117 9.3819 121.8578 55.1384 35.2859 173.0321 165 T 5.1169 8.3764 115.5776 61.8013 70.9232 174.2915 166 I 4.4573 8.6346 125.4983 60.6049 40.8054 175.3616 167 R 3.9614 9.8899 126.3216 57.3842 27.7870 177.1728 168 G 3.9140 8.4044 103.2541 45.5792 0.0000 172.7424 169 Q 4.6243 8.0978 122.4522 53.8334 31.1293 174.2717 170 N 4.8688 8.8364 125.8733 53.7708 40.4839 173.3809 171 V 4.9052 9.7396 126.9936 61.0883 34.9207 174.0131 172 R 4.9526 9.1103 127.8987 54.6925 32.9500 173.5831 173 L 4.8211 8.4899 127.2600 53.0100 44.1443 175.6146 174 Y 4.5890 8.7568 122.9806 57.7562 39.1685 174.4460 175 I 4.3057 8.0371 125.4786 59.8781 39.1009 175.1630 176 I 4.5597 8.4537 131.2586 58.9529 39.2261 173.6875 177 P 4.9551 0.0000 0.0000 62.1637 33.2715 175.7779 178 G 3.8343 8.8804 105.2314 46.4427 0.0000 173.2586 179 I 4.2396 7.7703 121.3730 59.2098 38.0118 175.7566 180 S 4.1246 8.6937 120.0940 58.7299 62.5538 174.9245 181 L 3.8102 8.2530 124.9084 56.5100 41.5931 177.3779 182 D 4.8082 7.7130 117.6442 53.9735 41.0706 176.7539 183 T 3.8282 7.2914 116.1519 63.9819 68.8640 174.6507 184 R 3.8419 8.2226 123.7848 59.0439 30.5116 176.3230 185 F 4.3298 7.4295 116.2985 56.4074 38.2244 174.2675 *192 E 4.1872 8.2245 121.2734 56.2664 30.3811 174.7407 193 I 4.4572 8.1654 121.1732 59.4128 40.0440 175.6356 194 S 3.7272 7.7275 119.7527 59.4267 63.7614 175.0187 195 K 4.6209 7.1606 118.3473 54.3124 36.5197 175.4028 196 I 4.9893 8.3969 124.1876 59.6390 39.9285 174.6817 197 E 4.7571 8.7256 124.8402 54.4667 34.3849 174.7050 198 W 4.8039 8.7068 122.3453 57.0426 30.2447 175.4672 199 H 4.8185 9.0372 119.8939 53.9184 32.8807 172.5712 200 N 4.9655 8.4545 118.9200 52.3215 39.4488 176.0204 201 L 3.4973 8.4214 124.5720 58.1945 41.3076 179.5835 202 M 4.1583 7.7108 116.8709 58.6178 32.0174 178.1097 203 D 4.3852 7.8317 117.4553 55.4695 41.4540 176.9203 204 L 3.6551 7.4767 120.4965 54.1074 41.8862 176.6172 205 P 3.8691 0.0000 0.0000 64.7607 32.0242 176.3481 206 T 4.5016 7.5582 110.9937 61.7751 68.0245 175.0955 207 F 4.2191 8.1927 123.1307 61.2339 39.5692 175.7863 208 K 4.0744 8.1408 118.7197 57.9950 33.0238 175.5954 *215 M 4.3808 7.5824 115.7125 55.2420 33.0103 174.8745 216 K 4.6257 8.2830 116.4445 57.9998 33.6313 178.3991 217 N 4.5253 8.2045 116.4527 55.8856 38.8381 176.1393 218 K 4.0932 8.1111 116.8544 58.1687 32.1515 177.4663 219 F 5.1595 8.0814 118.3197 57.2173 40.2849 176.6977 220 Y 4.2578 8.3518 121.9801 60.2824 38.1155 177.0196 221 M 4.0716 7.2078 117.2066 56.2790 32.5213 177.0280 222 V 4.3210 7.5872 118.5546 64.1909 33.1935 177.1245 223 I 3.8336 7.3729 119.7525 64.3117 36.7808 176.4132 224 P 4.2399 0.0000 0.0000 65.4401 31.4646 177.8871 225 F 4.5192 8.3372 114.5264 58.6853 39.0176 177.7804 226 L 4.3288 8.1234 119.7453 57.6064 41.3093 179.1334 227 A 3.9249 7.9584 120.3372 54.8284 18.4302 177.8539 228 P 4.2665 0.0000 0.0000 65.2247 31.4933 178.2658 229 L 3.9974 8.1527 119.4174 58.4224 42.0382 178.8877 230 K 3.9417 8.4955 119.4958 59.5753 31.9332 178.6382 231 K 3.9592 7.8537 120.0124 58.9526 32.0378 178.4453 232 W 4.0337 8.5165 128.8525 60.7243 30.6959 177.7719 233 I 3.8645 8.3414 119.5724 64.5097 36.6026 178.5150 234 K 3.9421 8.1757 118.9837 59.5560 31.9324 179.5664 235 K 3.8673 7.8809 118.6463 59.2175 31.8524 179.4482 236 R 3.4891 7.7748 119.3073 59.4891 29.7588 178.4607 237 N 4.3268 7.9039 114.8115 56.1495 38.6949 177.2814 238 I 3.8021 7.7317 121.2472 64.3436 36.9845 178.3617 239 A 4.0914 7.7172 121.7814 54.4346 18.2887 179.1037 240 N 4.4912 8.2156 113.7938 55.1259 38.6210 175.6442 241 N 4.8860 7.5648 115.7111 52.8394 39.7327 174.0644 242 T 4.5864 7.5913 109.4717 60.2777 71.3041 174.8176 243 T 4.2166 8.5402 110.7440 60.8419 70.6058 173.7052 244 K 4.0273 8.6063 122.4025 57.1264 32.3401 175.9122 245 E 4.6705 8.4189 121.6399 57.2180 30.3968 176.4834 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 8.30 4.51 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 2 S 8.54 3.49 0.00 4.12 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 3 F 9.39 4.70 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.07 4.46 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 1.35 0.00 0.00 5 N 8.49 5.07 0.00 2.74 2.77 0.00 0.00 7.11 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 6 A 8.20 4.56 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 7 T 8.79 4.20 4.31 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 1.27 0.00 0.00 8 F 8.49 3.44 0.00 3.17 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 9 S 8.32 3.95 0.00 3.98 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 10 Q 8.10 4.02 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 11 V 7.50 3.64 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 1.32 0.00 0.00 1.06 0.00 0.00 12 L 7.39 3.68 0.00 1.16 1.10 0.06 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.82 4.40 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.86 4.38 0.00 2.82 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 15 L 8.33 4.40 0.00 1.93 1.88 1.23 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.32 4.14 0.00 3.89 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 17 A 7.94 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 18 R 8.04 3.68 0.00 1.67 1.49 0.00 3.18 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.76 0.00 19 F 7.97 4.52 0.00 3.22 3.10 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 20 I 7.57 4.20 2.07 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 1.73 1.35 0.93 0.00 0.00 21 L 7.83 4.07 0.00 1.66 1.74 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.58 4.39 0.00 2.58 2.84 0.00 0.00 7.18 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 23 L 7.36 4.02 0.00 1.84 1.62 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.22 0.00 2.32 1.99 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.09 0.00 25 A 8.65 4.05 1.30 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 0.00 0.00 0.00 26 E 8.12 3.99 0.00 2.08 2.06 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 2.22 2.30 0.00 27 E 7.84 4.38 0.00 2.15 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 2.20 2.28 0.00 28 Q 7.55 4.26 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 29 S 7.10 3.14 0.00 2.72 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 30 S 7.54 4.17 0.00 3.80 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 31 V 8.24 3.62 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 1.10 0.00 0.00 0.99 0.00 0.00 32 E 8.07 3.99 0.00 2.07 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 2.41 2.47 0.00 33 R 7.92 4.11 0.00 1.82 2.00 0.00 3.48 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 34 L 8.11 4.03 0.00 1.73 1.76 0.96 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 35 C 8.01 3.84 0.00 2.74 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 36 F 8.06 4.30 0.00 3.21 3.30 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 0.00 37 Q 8.49 4.05 0.00 2.36 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.79 2.77 0.00 38 I 8.18 3.91 2.19 0.00 0.00 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 1.65 1.64 1.32 0.00 0.00 39 E 8.18 3.97 0.00 2.24 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 2.39 2.34 0.00 40 Q 7.85 4.03 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 41 A 7.46 2.96 1.08 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 0.00 0.00 42 H 7.47 3.01 0.00 2.16 2.71 0.00 5.79 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 43 W 7.52 4.37 0.00 3.53 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 44 F 8.58 4.53 0.00 3.21 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 45 Y 8.03 4.09 0.00 3.33 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 46 E 8.10 3.86 0.00 2.09 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 2.49 2.29 0.00 47 D 8.65 4.58 0.00 2.71 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 48 F 7.71 4.52 0.00 3.04 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 49 I 7.41 3.53 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.82 0.96 0.00 0.00 50 R 7.40 3.78 0.00 1.69 1.78 0.00 2.98 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.85 0.00 51 A 7.39 3.97 1.14 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 52 Q 7.14 3.57 0.00 1.43 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.34 0.00 53 N 8.05 4.97 0.00 2.56 2.38 0.00 0.00 7.00 9.28 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 54 D 8.31 5.22 0.00 2.67 2.65 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 0.00 55 Q 7.89 4.38 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 56 L 7.59 4.36 0.00 1.63 1.88 1.04 1.35 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 57 P 0.00 4.49 0.00 2.16 1.98 0.00 3.64 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 58 S 8.57 4.71 0.00 4.15 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 59 L 9.31 4.53 0.00 1.75 1.81 1.15 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.37 4.27 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 0.00 61 L 8.13 3.57 0.00 1.48 1.49 0.76 0.46 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 62 R 7.88 3.84 0.00 1.88 1.92 0.00 3.16 0.00 0.00 3.24 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 63 V 7.58 3.63 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 1.08 0.00 0.00 0.95 0.00 0.00 64 F 7.87 4.01 0.00 3.16 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 65 S 8.38 4.29 0.00 4.28 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 0.00 66 A 7.80 3.96 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 67 K 7.93 3.98 0.00 1.66 1.77 0.00 1.83 0.00 0.00 2.01 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.49 7.81 68 L 7.82 3.84 0.00 1.62 1.64 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.20 3.96 0.00 3.29 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 70 A 7.90 4.30 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 71 H 7.09 5.33 0.00 3.50 3.32 0.00 5.65 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 72 C 7.33 4.58 0.00 2.82 2.67 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 73 P 0.00 4.31 0.00 2.20 2.07 0.00 3.65 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 2.09 2.10 0.00 74 L 7.97 4.01 0.00 1.79 1.70 1.16 0.60 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 75 L 7.70 3.72 0.00 1.41 1.23 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 76 W 7.60 4.40 0.00 3.28 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 77 K 7.69 3.73 0.00 1.31 1.62 0.00 1.35 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 0.73 7.81 78 W 6.88 4.12 0.00 3.24 3.10 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 *82 H 8.52 4.52 0.00 3.27 3.33 0.00 5.68 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 E 8.51 4.31 0.00 2.22 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 2.35 2.41 0.00 84 E 8.28 4.00 0.00 2.19 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 0.00 2.44 2.43 0.00 85 A 7.92 4.14 1.19 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 0.00 0.00 86 F 7.78 4.09 0.00 3.32 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 87 D 7.97 4.32 0.00 2.89 2.65 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 0.00 88 D 8.52 4.10 0.00 2.77 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 89 F 7.96 4.18 0.00 3.14 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 90 L 7.36 3.82 0.00 1.54 1.54 0.95 0.67 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 91 R 7.65 3.61 0.00 1.56 1.19 0.00 2.96 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.41 0.00 92 Y 7.00 4.66 0.00 3.07 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 93 K 7.01 4.31 0.00 1.24 1.47 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.15 0.74 7.81 94 T 7.22 3.75 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 1.18 0.00 0.00 95 R 8.53 3.73 0.00 1.80 2.10 0.00 3.60 0.00 0.00 3.54 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 96 I 7.27 3.22 1.90 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 1.32 0.72 0.93 0.00 0.00 97 P 0.00 4.61 0.00 2.07 1.97 0.00 3.56 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 98 V 8.78 5.35 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 1.33 0.00 0.00 1.00 0.00 0.00 99 R 7.83 5.45 0.00 1.87 1.91 0.00 3.56 0.00 0.00 3.53 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.48 0.00 100 G 8.33 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 0.00 101 A 8.47 5.15 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 0.00 102 I 8.24 3.81 1.41 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.17 0.47 0.00 0.00 103 M 8.29 4.85 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 104 L 8.79 5.83 0.00 1.75 1.69 1.04 1.04 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 0.00 105 D 8.69 4.83 0.00 1.94 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 0.00 0.00 0.00 0.00 106 M 8.59 3.68 0.00 1.99 2.42 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 2.39 2.39 0.00 107 S 8.12 4.23 0.00 4.00 3.93 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 0.00 108 M 8.11 3.27 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.72 0.00 109 Q 8.48 4.59 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.48 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 110 Q 8.27 5.31 0.00 1.86 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 111 C 8.93 6.11 0.00 3.07 3.06 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 0.00 112 V 8.00 3.76 1.53 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 -0.45 0.00 0.00 -0.40 0.00 0.00 113 L 8.70 4.94 0.00 1.44 1.66 0.65 -0.05 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 0.00 114 V 8.89 5.07 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 0.75 0.00 0.00 0.86 0.00 0.00 115 K 8.01 4.30 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.61 0.83 7.81 116 G 7.97 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 0.00 0.00 0.00 117 W 8.50 4.82 0.00 3.28 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 0.00 118 K 7.57 4.40 0.00 1.76 1.72 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.37 7.81 119 A 8.52 3.91 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 0.00 120 S 8.26 4.26 0.00 3.84 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 0.00 121 S 8.15 3.27 0.00 3.83 2.90 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 0.00 122 G 8.71 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 0.00 123 W 8.30 4.79 0.00 2.78 2.90 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 0.00 124 G 8.80 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 0.00 125 F 8.01 4.86 0.00 2.77 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 0.00 126 P 0.00 5.10 0.00 2.11 2.15 0.00 4.11 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.75 0.00 127 K 7.99 4.57 0.00 1.75 1.78 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.25 7.81 128 G 7.30 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 0.00 129 K 8.59 4.62 0.00 1.67 1.78 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.46 7.81 130 I 8.34 3.86 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 1.24 0.76 0.99 0.00 0.00 131 D 9.32 4.96 0.00 2.85 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 0.00 132 K 8.50 4.29 0.00 1.86 1.81 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.59 7.81 133 D 8.47 4.41 0.00 2.76 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 0.00 134 E 7.48 4.69 0.00 2.07 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 2.21 2.23 0.00 135 S 8.57 4.38 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 0.00 136 D 8.77 4.47 0.00 2.74 2.88 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 0.00 137 V 7.70 3.27 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 0.90 0.00 0.00 0.61 0.00 0.00 138 D 8.08 4.34 0.00 2.97 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 0.00 139 C 8.28 4.06 0.00 3.11 3.16 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 0.00 140 A 7.83 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.79 3.69 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.85 0.00 0.00 142 R 8.22 3.92 0.00 1.93 2.17 0.00 3.13 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 143 E 8.39 3.97 0.00 2.10 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 0.00 2.53 2.71 0.00 144 V 7.89 3.63 2.28 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 1.32 0.00 0.00 0.99 0.00 0.00 145 Y 8.22 4.27 0.00 3.18 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 0.00 146 E 8.45 3.92 0.00 2.10 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 2.39 2.47 0.00 147 E 8.24 4.26 0.00 2.10 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 2.26 2.39 0.00 148 T 8.13 4.32 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 1.05 0.00 0.00 149 G 7.81 3.70 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 0.00 0.00 0.00 150 F 7.94 4.82 0.00 3.20 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 0.00 151 D 8.05 4.54 0.00 2.50 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 0.00 0.00 0.00 152 C 7.99 4.45 0.00 3.39 3.50 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 0.00 153 S 7.36 4.04 0.00 3.91 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 0.00 154 S 7.84 4.47 0.00 4.00 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 0.00 155 R 7.62 4.63 0.00 1.97 2.07 0.00 3.17 0.00 0.00 3.49 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 156 I 7.56 3.84 1.97 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 0.76 0.70 0.78 0.00 0.00 157 N 8.55 4.99 0.00 2.81 2.77 0.00 0.00 7.21 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 0.00 158 P 0.00 4.55 0.00 2.20 2.20 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 159 N 8.95 4.86 0.00 2.90 2.94 0.00 0.00 6.79 7.25 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 0.00 160 E 8.16 4.78 0.00 2.04 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 2.55 2.60 0.00 161 F 7.74 4.91 0.00 2.63 2.57 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 0.00 162 I 8.37 4.51 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 1.04 0.00 0.00 163 D 8.88 5.59 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 M 9.38 4.71 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 165 T 8.38 5.12 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 1.29 0.00 0.00 166 I 8.63 4.46 1.81 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 1.34 1.65 0.97 0.00 0.00 167 R 9.89 3.96 0.00 2.03 2.11 0.00 3.38 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 168 G 8.40 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 0.00 169 Q 8.10 4.62 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 170 N 8.84 4.87 0.00 2.86 2.68 0.00 0.00 6.59 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 0.00 171 V 9.74 4.91 2.30 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 1.17 0.00 0.00 1.09 0.00 0.00 172 R 9.11 4.95 0.00 1.80 1.53 0.00 2.72 0.00 0.00 2.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.90 0.00 173 L 8.49 4.82 0.00 1.25 1.17 -0.31 0.40 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 0.00 174 Y 8.76 4.59 0.00 2.99 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 0.00 175 I 8.04 4.31 1.21 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.21 0.00 0.00 176 I 8.45 4.56 1.94 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 1.34 1.10 1.07 0.00 0.00 177 P 0.00 4.96 0.00 2.24 2.33 0.00 3.95 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 178 G 8.88 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 0.00 179 I 7.77 4.24 2.30 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.93 0.81 0.00 0.00 180 S 8.69 4.12 0.00 3.86 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 0.00 181 L 8.25 3.81 0.00 1.45 1.31 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 182 D 7.71 4.81 0.00 2.65 2.65 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 0.00 183 T 7.29 3.83 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 184 R 8.22 3.84 0.00 1.76 1.98 0.00 3.43 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 185 F 7.43 4.33 0.00 3.16 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 *192 E 8.22 4.19 0.00 2.03 2.19 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 2.29 2.67 0.00 193 I 8.17 4.46 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 0.83 0.00 0.00 194 S 7.73 3.73 0.00 2.72 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 0.00 195 K 7.16 4.62 0.00 1.23 1.74 0.00 1.39 0.00 0.00 1.88 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.30 7.81 196 I 8.40 4.99 1.81 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 1.18 0.51 0.26 0.00 0.00 197 E 8.73 4.76 0.00 1.73 1.51 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 2.27 2.42 0.00 198 W 8.71 4.80 0.00 3.13 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 0.00 199 H 9.04 4.82 0.00 2.84 2.88 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 N 8.45 4.97 0.00 2.86 2.64 0.00 0.00 6.99 6.74 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 0.00 201 L 8.42 3.50 0.00 0.88 0.13 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 202 M 7.71 4.16 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.76 0.00 203 D 7.83 4.39 0.00 2.64 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 0.00 204 L 7.48 3.66 0.00 1.70 1.33 0.75 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 205 P 0.00 3.87 0.00 2.12 2.06 0.00 3.26 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 206 T 7.56 4.50 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 1.27 0.00 0.00 207 F 8.19 4.22 0.00 2.95 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 0.00 208 K 8.14 4.07 0.00 1.87 1.85 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.47 7.81 *215 M 7.58 4.38 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 216 K 8.28 4.63 0.00 2.09 2.14 0.00 1.52 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.59 7.81 217 N 8.20 4.53 0.00 2.76 2.93 0.00 0.00 6.97 7.61 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 0.00 218 K 8.11 4.09 0.00 1.10 1.15 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.42 7.81 219 F 8.08 5.16 0.00 3.22 2.90 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 0.00 220 Y 8.35 4.26 0.00 3.15 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 0.00 221 M 7.21 4.07 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 2.18 0.00 222 V 7.59 4.32 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 1.09 0.00 0.00 0.38 0.00 0.00 223 I 7.37 3.83 1.99 0.00 0.00 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 1.62 0.62 0.98 0.00 0.00 224 P 0.00 4.24 0.00 1.55 1.93 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 225 F 8.34 4.52 0.00 3.55 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 0.00 226 L 8.12 4.33 0.00 1.96 2.04 1.09 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 227 A 7.96 3.92 1.30 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 0.00 0.00 0.00 228 P 0.00 4.27 0.00 2.24 2.14 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 229 L 8.15 4.00 0.00 2.15 2.05 1.09 0.41 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 0.00 230 K 8.50 3.94 0.00 1.18 1.75 0.00 1.10 0.00 0.00 1.28 0.00 0.00 2.72 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.21 0.80 7.81 231 K 7.85 3.96 0.00 1.96 2.05 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.44 7.81 232 W 8.52 4.03 0.00 3.58 3.45 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 0.00 233 I 8.34 3.86 2.25 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.24 1.07 0.00 0.00 234 K 8.18 3.94 0.00 1.96 1.82 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.62 7.81 235 K 7.88 3.87 0.00 1.68 1.66 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.64 7.81 236 R 7.77 3.49 0.00 0.84 1.74 0.00 3.04 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 237 N 7.90 4.33 0.00 2.82 2.84 0.00 0.00 7.14 6.94 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 0.00 238 I 7.73 3.80 1.93 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 1.42 1.29 0.86 0.00 0.00 239 A 7.72 4.09 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 0.00 240 N 8.22 4.49 0.00 2.67 2.87 0.00 0.00 6.84 7.55 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 0.00 241 N 7.56 4.89 0.00 2.72 2.77 0.00 0.00 6.86 8.74 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 0.00 242 T 7.59 4.59 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 1.23 0.00 0.00 243 T 8.54 4.22 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 1.20 0.00 0.00 244 K 8.61 4.03 0.00 1.98 2.19 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.41 7.81 245 E 8.42 4.67 0.00 1.96 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 2.05 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.