NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3279 8.3033 118.7978 56.0919 31.0512 175.0339 4 E 4.2246 8.5383 122.8650 55.4431 31.5904 173.7679 5 I 4.8175 8.6072 122.7375 60.1750 39.2208 175.0277 6 V 4.7318 8.8913 127.7087 61.0263 34.1915 173.7617 7 L 4.9786 9.5185 130.9432 53.7936 43.9864 174.9861 8 K 5.2026 8.7995 125.5731 54.6878 34.7991 175.0883 9 A 4.8573 9.6665 125.9154 51.2174 23.2131 176.1939 10 G 4.0529 9.1628 108.0726 45.6195 0.0000 174.7962 11 G 3.9100 8.4623 104.7771 45.2934 0.0000 173.9314 12 K 4.5356 8.0204 119.2283 54.3605 34.8470 174.8755 13 I 4.9753 7.5232 120.2245 59.8026 40.4707 174.6167 14 Y 4.8711 9.7903 124.5640 56.3711 41.5284 174.8328 15 Q 4.6205 8.1654 120.6937 55.0422 32.4486 173.8372 16 G 3.7471 8.7312 104.1900 46.6358 0.0000 174.2056 17 W 4.3685 8.1876 118.4598 56.6338 29.9841 176.8379 18 T 4.3933 8.9585 111.9201 63.0058 70.0532 174.3980 19 K 5.0070 8.0711 123.0969 55.0116 36.1091 174.7896 20 I 5.1372 9.1851 127.0297 59.7187 41.9198 174.8380 21 G 4.3946 9.1632 112.9569 45.1212 0.0000 171.4713 22 I 5.0901 9.1460 127.5401 59.6753 40.5065 174.7455 23 T 5.0919 9.1103 124.3463 61.7651 71.2802 173.5728 24 R 4.9708 8.8558 124.6667 54.4785 33.8543 174.5171 25 S 4.9389 8.3505 116.2672 56.6014 65.6030 174.6471 26 L 4.0237 9.1340 128.7345 57.7476 42.0472 177.7396 27 E 4.2733 7.8381 116.3655 57.1476 30.7011 177.3064 28 A 4.4888 7.2240 126.3264 51.6135 18.6738 175.9914 *30 S 4.3174 7.8922 110.4228 58.8023 64.4439 174.9499 31 G 3.9543 9.3670 109.5811 46.6390 0.0000 172.1099 32 A 5.4149 9.1393 122.4139 49.8611 23.0924 175.1908 33 F 5.4560 8.7588 114.6124 55.2400 42.1761 173.6681 34 D 5.0657 9.2419 119.4401 52.7961 44.8508 174.5241 35 L 4.9082 9.1098 123.5373 53.0411 45.5261 175.4987 36 E 5.3624 9.0121 124.6056 53.9390 33.4262 174.0407 *38 T 4.7582 8.3928 113.7552 64.0191 70.0819 173.2982 39 Y 4.6030 8.9321 121.3799 56.2549 41.6748 175.0285 40 K 4.5597 8.6034 122.2125 53.7242 35.7937 175.1739 41 F 3.9588 7.8042 116.3482 58.6065 36.4683 176.4211 42 L 4.1648 8.0030 119.4882 54.1813 42.3715 178.0643 43 G 3.8905 8.4503 111.6727 45.2483 0.0000 173.7470 44 N 4.3603 8.6119 117.0373 56.3184 39.0546 175.6125 45 D 4.5539 7.9942 116.2332 56.1008 41.5361 177.5390 46 A 4.1184 7.9508 121.3297 54.4404 17.5079 177.9615 47 Q 3.8942 7.7857 113.7375 57.3759 28.7938 175.7227 48 Y 3.5035 8.0448 114.5436 59.0011 35.5388 169.4477 49 K 4.6591 7.3439 117.2505 53.9872 34.7575 175.5542 50 A 3.9546 8.6170 129.7427 52.3082 18.7560 176.9652 51 F 4.6695 7.9531 116.8677 57.2271 39.0977 175.7659 52 I 4.6464 6.7665 120.0439 58.7299 40.9543 173.8065 53 E 3.9719 8.7227 127.2272 55.4142 30.0276 174.8844 54 P 3.2217 0.0000 0.0000 62.5910 31.7603 175.9660 55 I 3.6526 5.9455 123.8217 60.3666 37.0653 175.9357 56 K 3.9927 8.2953 126.1411 55.5184 32.6512 176.8489 57 Q 4.2441 8.4725 122.0545 57.6457 29.0245 176.7741 58 G 4.0204 9.4833 110.3095 45.1684 0.0000 173.9634 59 Q 4.3596 7.5881 119.1849 55.4771 29.8622 175.8387 60 A 4.6537 8.8204 125.2860 52.8587 19.2483 176.2581 61 C 5.0845 8.8813 115.6040 57.3860 34.0220 172.7757 62 T 5.0002 8.6474 108.6244 59.8552 72.1462 172.8093 63 V 4.8061 8.5569 123.3490 61.2102 34.3919 173.9392 64 D 5.3551 8.9277 126.7431 52.4930 44.7550 174.9072 65 I 4.5979 8.7391 123.4975 59.6282 39.6878 176.1408 66 G 4.1582 9.3809 117.1732 45.3920 0.0000 174.2761 67 G 3.9308 8.5794 107.4517 44.8139 0.0000 173.8279 68 E 4.4392 7.8630 120.4925 54.1814 30.6292 175.6457 69 R 4.6348 8.7264 124.1413 56.1717 30.5170 176.1079 70 V 4.3066 8.4613 122.8476 61.4614 33.7423 175.9474 71 I 4.7279 7.3323 121.4081 59.9398 41.7721 174.1752 72 T 4.8053 8.5224 123.1947 61.4860 71.7954 172.8763 73 G 4.1868 8.7644 121.5446 46.8150 0.0000 174.6797 74 Y 5.4977 8.5744 121.8724 55.8100 42.7251 172.9539 75 V 3.8935 9.0502 123.9116 63.6735 32.1480 176.3216 76 D 4.5563 9.2312 128.8750 56.9645 42.0897 176.2025 77 D 5.0455 7.9843 117.2556 52.0566 44.7030 174.2909 78 W 5.1142 8.9625 132.9840 55.9161 32.5973 175.8956 79 V 4.1681 8.3597 128.1531 60.1573 31.1204 171.9309 80 P 4.8132 0.0000 0.0000 61.5335 33.1343 175.6635 81 S 4.6423 8.9186 115.1971 58.1523 66.5245 172.7121 82 Y 5.1789 7.7251 117.4169 57.3127 40.1188 173.2500 83 D 4.7316 8.8573 118.7645 52.8857 41.5151 174.7835 84 E 4.0205 9.3414 116.2627 58.8052 29.7518 177.4925 85 S 4.7693 8.6486 110.6950 57.9716 64.7816 173.9047 86 T 5.2132 7.7719 116.1009 62.3854 73.3091 172.6852 87 I 5.1981 8.8234 124.4120 60.0712 41.4875 174.4427 88 T 5.2596 9.7677 124.0841 61.6335 71.9663 172.9584 89 I 4.7418 8.7268 118.7919 59.1493 40.9479 174.2591 90 S 5.1626 8.5446 118.4340 56.8974 66.2596 172.8762 91 V 5.2736 9.1497 119.2207 59.7081 35.5327 174.7647 92 S 4.4513 8.3951 116.9126 57.0251 67.0925 173.4180 93 G 4.1788 6.5266 105.4808 46.6787 0.0000 172.0843 94 R 5.3265 8.0374 117.3114 54.5916 35.2762 174.9637 95 D 4.9142 8.6710 120.4107 54.3368 41.7820 177.9785 96 K 4.0029 8.7870 120.5907 60.1367 32.0566 179.1961 97 T 4.0286 7.9240 107.8522 63.1680 68.6202 175.7504 98 A 3.9758 8.2498 125.0308 55.6735 18.4294 179.2794 99 D 4.3048 8.2510 117.1047 57.3479 40.7581 178.8849 100 L 3.6168 7.3870 118.7937 56.7301 41.3372 179.3999 101 V 3.6516 7.3090 117.3293 65.7885 31.8256 177.2870 102 D 4.5046 8.0551 117.4516 55.6975 40.9933 176.1952 103 C 4.9893 7.2604 115.3863 57.8860 31.4905 173.9046 104 S 4.5444 8.5721 116.4886 58.1724 63.7706 174.1720 105 I 4.0543 8.6470 124.8501 61.3378 37.5538 175.5257 106 D 4.7399 8.9227 127.3050 52.8121 41.1970 174.7296 107 Y 4.6959 8.0237 127.2920 54.8590 39.6330 173.4462 108 P 4.1254 0.0000 0.0000 65.2346 30.5341 178.1803 109 S 3.9450 7.4426 112.2542 59.1622 63.4136 175.6703 110 G 3.9106 9.3343 108.9494 45.5144 0.0000 172.3604 111 Q 5.0208 7.2654 113.3277 54.7002 31.8782 173.7518 112 F 5.0877 9.5670 120.0481 55.8498 41.3838 173.9709 113 N 5.3622 8.5774 119.1139 52.0025 41.9619 174.3234 114 N 4.6082 8.8034 120.7083 53.3118 37.2639 174.0466 115 Q 4.7962 7.4231 116.0695 54.6427 30.8360 176.1387 116 T 4.5806 8.8655 113.0029 60.5873 71.3834 175.6629 117 L 3.9935 8.6070 121.8932 58.8133 41.8296 178.8248 118 T 3.8325 7.9146 114.7951 66.8151 68.4903 176.3679 119 Q 3.9651 7.8770 119.1894 59.0430 28.7717 178.9186 120 I 3.0686 7.6975 120.4595 64.0665 37.0373 178.1726 121 A 3.8807 8.2109 121.8472 55.3040 18.0761 179.1687 122 D 4.3226 8.2655 117.5232 57.7330 40.7179 179.1698 123 I 3.7122 7.3172 118.3331 64.8025 37.2850 178.8484 124 V 3.8784 7.5378 111.5956 64.3744 31.7480 178.1080 125 C 4.5061 8.2811 116.6606 61.8937 27.9515 175.4528 126 K 3.8795 7.9377 121.7994 59.4370 31.5177 176.7918 127 P 4.2465 0.0000 0.0000 65.0761 31.4049 177.2827 128 F 4.5266 8.0534 115.8351 57.0042 39.1721 175.4544 129 G 3.9932 8.2026 106.9520 46.6628 0.0000 173.5352 130 I 4.4645 7.9408 119.4340 59.2395 39.0935 175.6493 131 K 4.5298 8.4064 123.8049 55.4494 34.2494 175.4384 132 V 4.6790 8.2794 122.8380 61.3871 33.3223 174.7289 133 I 4.4513 9.1336 129.1407 59.6049 39.5147 174.5438 134 V 4.4906 8.4377 127.5301 61.3739 32.4532 174.6464 135 N 5.0040 9.3257 125.6070 53.6744 40.1669 173.0317 136 T 4.4632 7.5026 110.2969 61.3111 70.5761 171.8633 137 D 4.4271 8.4497 122.8684 54.0157 40.6870 175.8839 138 V 3.7461 8.3698 126.9098 63.2392 32.3651 177.1893 139 G 3.7606 7.7711 106.7058 44.8946 0.0000 173.0354 140 E 4.0150 8.2796 118.2808 55.5139 30.0877 175.0157 141 P 4.4810 0.0000 0.0000 62.9003 32.3789 175.5243 142 F 4.5739 9.1871 120.8621 56.5490 40.3505 176.7385 143 Q 4.1985 9.2334 125.7067 59.3710 29.3568 177.3134 144 R 5.1682 7.8551 116.5699 55.5113 33.6337 175.8702 145 I 4.6279 9.3824 124.8685 58.7293 40.6390 174.4768 146 Q 4.9903 8.6916 125.5686 54.3519 30.6568 175.3161 147 I 4.1235 8.4913 125.2342 60.9304 37.8033 176.2327 148 E 4.1790 9.0014 126.5991 55.3816 30.2051 176.0887 149 Q 4.0696 8.4755 122.4088 57.6939 29.1137 176.6125 150 G 3.9275 8.9807 113.0474 45.5606 0.0000 172.6913 151 E 4.1828 8.2243 121.7666 56.2722 30.3789 176.4855 152 T 4.9435 8.3650 117.6378 59.4148 71.8319 174.2297 153 P 4.2431 0.0000 0.0000 66.0259 31.2509 178.4094 154 H 4.1371 8.3554 116.9588 59.3903 29.6889 177.0605 155 E 3.7925 8.2783 120.4543 59.2501 29.3706 179.1571 156 L 3.8711 7.9157 120.0873 58.3195 42.2965 179.0765 157 L 3.9085 7.9769 118.5585 57.4121 41.4212 179.5119 158 A 3.9551 8.1444 121.3858 55.2379 18.5283 179.9674 159 R 3.8428 7.6604 114.5987 59.2524 29.3030 179.0269 160 L 3.7814 7.7120 119.1660 57.5043 41.5700 179.2680 161 A 4.0512 8.1369 120.8161 54.8502 18.0742 179.4263 162 K 3.9146 8.0168 117.4236 60.0427 32.3286 178.7650 163 Q 4.1216 7.9027 116.4341 58.2425 28.7249 177.9577 164 R 4.4887 7.6678 116.6423 54.9393 30.9362 176.4600 165 G 3.9436 8.1470 106.1491 47.1115 0.0000 173.5870 166 V 4.5869 7.8120 110.8916 59.1173 35.4580 174.8965 167 L 4.8755 9.2360 121.3332 53.1020 44.6113 175.7878 168 L 5.1599 8.4016 122.0054 53.7359 44.0476 175.7285 169 T 4.9182 9.0033 116.9887 61.8381 71.0164 171.8184 170 S 5.5905 8.9318 114.1436 55.7143 66.2538 171.9959 171 D 4.9812 8.0769 119.9094 51.4664 41.5099 176.7650 172 T 3.9137 8.2774 107.8462 63.5848 68.7308 174.7915 173 F 5.0466 7.6701 119.2541 56.3579 39.2662 175.9361 174 G 3.8847 7.9684 108.0110 46.3422 0.0000 173.5165 175 N 4.9491 8.5083 116.8915 51.5294 40.8672 174.3449 176 L 4.5484 8.7528 124.8773 55.0293 43.5314 175.6140 177 V 4.8003 9.0678 126.6287 61.1942 34.3550 173.9619 178 I 4.8412 8.7059 129.1996 60.1540 39.2686 174.8266 179 T 4.7847 9.0364 121.4287 61.2392 71.4477 171.8399 180 R 5.0628 8.3177 119.8632 53.5893 34.5061 175.5594 181 A 4.1005 8.7097 123.3548 53.0038 18.5389 178.0619 182 S 4.6196 9.0193 118.5812 57.5403 64.6891 174.1419 183 K 4.5480 8.2246 116.5405 56.3399 32.5152 176.6192 184 T 4.1094 7.9198 117.5104 63.6823 69.2538 173.9884 185 K 4.7856 8.5644 124.9429 55.6198 32.9433 177.0585 186 A 3.9398 8.9711 126.0088 53.0789 18.8381 179.1480 187 G 3.8557 10.0470 102.3164 45.2162 0.0000 172.9211 188 V 4.4511 7.0180 116.5177 60.4637 34.0539 173.1326 189 S 4.9707 8.3740 115.8535 56.7748 66.2110 173.9536 190 L 4.6419 8.8935 123.7459 53.7056 42.8993 175.8095 191 I 4.8478 8.7570 125.5005 58.8192 40.4229 175.2690 192 L 4.0141 8.5740 129.6203 57.1891 42.0843 177.3613 193 G 3.9581 9.2187 114.6695 45.1517 0.0000 172.2720 194 D 4.5578 7.3828 117.9443 53.6432 42.4741 175.6114 195 N 4.9293 8.0694 117.0515 52.3062 38.7797 174.6647 196 V 4.0718 7.6837 119.5818 62.2802 32.4339 175.2400 197 K 4.3124 9.0571 129.5488 59.0602 32.7665 176.5668 198 A 4.7982 7.7587 118.7970 51.0221 22.5759 174.7451 199 A 4.8639 8.1871 119.8978 50.7417 22.4207 175.8430 200 R 4.6017 8.5235 115.2268 54.8871 33.3102 174.1877 201 G 4.4722 8.4041 106.5195 45.3115 0.0000 172.0916 202 R 4.5651 7.6370 119.1181 55.0448 32.6167 173.5775 203 F 5.2129 8.9984 123.9105 55.7776 41.3388 174.3462 204 S 4.7944 8.9295 119.9926 56.4553 65.2405 173.5680 205 W 4.8259 8.6413 124.5060 56.5170 29.5213 178.0531 206 R 3.9165 8.2066 119.6788 58.9944 29.5338 177.6711 207 Q 4.6211 7.9557 113.2804 55.4642 29.3680 174.9812 208 R 4.5902 7.2262 117.0212 54.4614 31.8411 175.9144 209 F 4.6082 8.0815 119.1572 55.3192 42.7697 175.3703 210 S 4.2228 8.5758 118.4452 60.8072 64.3100 173.9947 211 K 4.8859 7.5112 121.0152 54.9169 35.8491 174.4950 212 F 5.0751 10.0890 127.3597 56.2481 41.2831 174.5974 213 T 4.9330 8.9684 122.0505 62.0107 70.7094 173.7350 214 I 4.6742 8.6771 128.0597 60.7783 38.9389 176.7255 215 K 3.6393 9.3424 128.9845 57.1731 31.6894 174.4846 *233 G 3.9157 8.7443 106.5311 47.4074 0.0000 173.6570 234 G 4.0251 8.4659 109.4492 45.6988 0.0000 174.5755 235 I 4.0468 7.6554 120.2878 59.9545 36.0643 180.5390 236 K 5.5627 8.6150 127.4327 51.6921 36.0127 172.1554 237 A 4.7332 8.4302 122.3105 50.4011 23.0169 174.6538 238 D 5.2090 8.8031 121.1543 52.7905 42.6796 176.0832 239 V 4.2636 9.2434 125.5220 61.5471 32.9906 174.7059 240 T 4.5691 8.5727 123.0347 61.3640 69.1421 173.4789 241 D 4.9682 8.8095 127.9159 52.4574 42.3205 176.9646 242 S 4.2676 8.8225 121.7891 60.8551 63.4937 175.6521 243 E 3.9751 8.2419 120.3795 58.4326 29.2384 176.6971 244 I 3.1765 7.2358 119.2695 59.5257 36.5597 175.3105 245 G 4.0148 8.6949 113.3558 45.2738 0.0000 171.8660 246 R 4.5652 7.5686 119.4591 53.9663 31.9520 174.8547 247 Y 4.1697 8.5587 124.0323 58.7174 38.6810 176.4567 248 R 4.6156 8.5330 127.9592 54.1233 31.8393 172.1252 249 P 4.5784 0.0000 0.0000 62.0195 33.1121 176.0675 250 L 4.3536 8.5562 124.5598 53.1178 44.8181 174.7863 251 I 4.9196 8.2323 126.5175 59.6000 39.2611 174.9538 252 I 4.6111 9.1096 130.2321 60.1003 40.7430 175.3761 253 V 4.6807 8.4325 125.6049 59.8404 32.9170 172.4211 254 N 4.7884 8.6919 125.8774 51.4448 40.5525 175.1237 255 E 4.2259 8.8994 124.0686 57.9909 30.3483 174.8989 256 E 4.1493 8.4040 116.2555 59.9861 30.0477 184.5210 257 V 3.8967 7.3130 115.8830 60.9591 31.9630 178.5586 258 T 4.6624 8.4947 112.8116 59.9874 70.3185 174.1932 259 T 4.7143 7.4404 112.1785 59.3228 73.3127 174.4297 260 A 4.1636 8.5906 125.9653 55.8055 18.4031 180.7054 261 E 4.0978 8.2047 116.9666 61.0109 29.8950 183.0560 262 G 3.7921 8.1449 106.4011 47.8179 0.0000 175.7475 263 A 4.0147 8.5095 123.5571 54.6249 18.3592 179.6589 264 A 4.0471 8.1767 121.9266 55.7940 18.4518 180.6996 265 K 4.0015 8.2676 122.4127 59.9752 31.8260 181.4429 266 R 4.3048 8.3624 120.3789 58.9329 29.8715 178.9546 267 G 3.6036 8.0135 105.4834 47.8659 0.0000 175.6743 268 Q 3.9388 8.1729 120.8542 58.4413 28.8704 178.8093 269 W 3.9811 8.2123 129.2970 60.3197 30.6940 177.6941 270 E 3.6805 8.1958 119.3732 58.8378 28.8836 178.4895 271 R 2.8474 7.1582 117.9348 59.1667 30.1690 177.8254 272 Q 3.9249 7.8718 119.3719 59.2268 28.8766 178.3247 273 R 3.5314 7.2106 119.4059 59.1885 29.7482 178.6290 274 S 4.1411 7.5547 113.0320 61.3476 63.1577 176.1855 275 I 3.8725 7.4768 123.9528 64.3146 36.6566 178.4726 276 G 3.5898 7.8347 105.8982 47.7691 0.0000 175.1182 277 K 4.1456 7.6680 119.3327 58.1976 32.4196 178.4056 278 S 4.7006 8.1330 114.2174 57.7025 63.6664 172.8147 279 N 5.6446 7.7246 116.4294 49.7870 42.4306 172.8934 *281 A 4.2025 8.1133 119.1864 52.0290 20.4766 175.3912 282 E 4.9127 8.8961 122.4052 54.6522 33.1458 173.6218 283 Y 4.7083 9.3077 124.9194 56.4372 40.7942 174.6757 284 T 4.9383 8.9915 121.1601 61.9571 70.9805 174.0462 285 V 4.8383 8.6013 119.3151 59.4350 36.0213 175.0465 286 T 4.2845 8.5528 119.5043 64.5079 68.9432 175.9368 287 G 4.0448 9.1273 112.6464 45.4518 0.0000 173.0690 288 W 5.3839 8.4915 117.0713 57.5389 30.9312 176.6549 289 R 4.9506 8.1945 117.7411 54.6115 31.8675 176.2769 290 I 3.6713 8.2794 124.0256 60.4144 37.2396 175.3040 291 P 4.2232 0.0000 0.0000 65.7631 31.6091 178.4778 292 Q 4.0246 8.2242 115.8472 58.6432 28.6487 177.7815 293 T 4.2180 7.1991 102.3900 60.7315 70.2324 175.8179 294 G 3.9028 8.6342 109.2332 45.1936 0.0000 173.3243 295 K 4.5190 7.5014 119.3005 54.7194 34.2931 176.2846 296 L 4.7031 8.3798 122.2419 54.4811 42.3251 177.1392 297 W 4.3496 8.5809 122.2625 57.6565 29.6178 175.2257 298 N 5.1601 8.8943 121.6504 51.4142 40.0488 174.0529 299 I 4.0204 8.1611 117.2073 61.3901 38.6490 174.7594 300 N 4.1839 9.1827 117.6191 55.1077 37.8345 173.7621 301 T 4.9385 7.2327 102.4364 59.3545 72.6994 172.4049 302 L 4.9393 9.1307 123.4537 53.6343 43.5252 176.0493 303 V 4.7201 8.2120 122.8547 58.9796 33.7654 173.7348 304 P 4.5004 0.0000 0.0000 62.8175 32.7951 175.3777 305 V 4.7341 8.7570 123.2290 61.1103 34.7718 174.1172 306 I 4.6618 8.7063 128.6736 59.9067 39.9213 174.7805 307 D 4.7616 9.2847 129.3202 53.3112 42.8121 175.3449 308 E 3.9974 8.8924 127.3760 58.4299 30.0803 177.6688 309 I 3.9506 7.6978 116.8395 62.4611 36.6215 176.4320 *311 G 3.7089 7.7553 108.4231 45.5433 0.0000 172.8907 312 L 4.7743 8.2171 119.5088 52.1115 44.6294 177.2328 313 D 5.0065 8.1723 122.6239 52.0750 40.6837 172.5709 314 E 4.7332 8.4710 118.8110 55.1979 34.1093 175.9398 315 E 4.4979 8.5614 121.8069 55.8577 31.1923 175.1954 *317 L 4.2932 8.2074 122.5832 54.7154 43.8075 175.4872 318 I 4.3721 8.6298 127.0744 61.6525 37.5100 176.2684 319 A 4.3931 9.1056 129.9655 53.1502 20.9655 176.4347 320 S 4.9615 7.5455 107.8103 57.5200 66.1617 173.7170 321 I 4.8189 8.6054 126.1570 59.3725 41.3740 173.7467 322 L 4.8630 8.5812 129.1489 53.3173 44.2428 174.9462 323 F 4.9368 9.0093 126.7868 56.3043 40.1940 175.1611 324 S 5.4969 9.4845 118.8108 56.7068 66.4086 172.7571 325 E 5.3948 9.3549 121.6019 55.4675 33.0228 174.2710 326 D 5.0555 8.6573 125.6276 53.4181 41.8268 175.2663 327 D 4.4317 9.1857 116.7018 57.1101 39.6960 174.3934 328 A 4.1093 8.3294 121.9143 53.8443 18.7736 177.9904 329 G 3.7559 6.6764 101.0046 44.5854 0.0000 171.3254 330 R 4.8177 8.0280 118.7515 54.5891 32.3737 175.7431 331 L 5.3985 9.2521 122.0907 52.9953 46.3565 175.0883 332 A 4.9460 8.9961 124.5355 50.2875 21.4389 175.7444 333 V 4.4201 8.5375 123.7548 61.3690 33.6182 174.5826 334 I 4.5828 8.8307 130.7831 59.5071 39.4573 174.8542 335 S 4.9153 9.0676 123.7807 57.3701 63.3603 173.2572 336 V 5.0410 8.7015 120.8957 59.7980 34.1130 175.5775 337 V 4.5840 8.3869 115.6392 59.1143 35.9287 175.6631 338 R 4.0113 8.4901 122.8389 55.8230 30.5054 175.9232 339 P 4.2805 0.0000 0.0000 65.5516 31.4989 177.4041 340 D 4.4365 8.0394 115.9699 55.5070 39.4625 177.3232 341 A 3.9963 7.8473 122.9845 52.4516 17.5745 177.2968 *343 D 4.2494 8.0928 122.0344 56.3942 40.8356 174.2478 344 I 5.0374 8.1417 123.1569 57.2266 36.6763 172.7827 345 P 4.5856 0.0000 0.0000 61.9798 31.4783 175.6458 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 E 8.30 4.33 0.00 2.20 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 2.27 2.41 0.00 4 E 8.54 4.22 0.00 2.06 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 2.41 2.49 0.00 5 I 8.61 4.82 2.14 0.00 0.00 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 1.58 0.75 0.91 0.00 0.00 6 V 8.89 4.73 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 1.02 0.00 0.00 1.00 0.00 0.00 7 L 9.52 4.98 0.00 1.78 2.02 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.80 5.20 0.00 1.76 1.72 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.39 7.81 9 A 9.67 4.86 1.36 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 0.00 0.00 0.00 10 G 9.16 4.05 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 0.00 0.00 0.00 11 G 8.46 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 12 K 8.02 4.54 0.00 1.91 1.13 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.31 7.81 13 I 7.52 4.98 1.76 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 1.33 0.46 0.90 0.00 0.00 14 Y 9.79 4.87 0.00 3.32 2.69 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 0.00 0.00 0.00 0.00 15 Q 8.17 4.62 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 16 G 8.73 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 0.00 0.00 0.00 17 W 8.19 4.37 0.00 3.41 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 18 T 8.96 4.39 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 1.03 0.00 0.00 19 K 8.07 5.01 0.00 1.86 1.70 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.52 7.81 20 I 9.19 5.14 2.14 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 0.96 0.00 0.00 21 G 9.16 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 9.15 5.09 1.74 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.87 0.00 0.00 23 T 9.11 5.09 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 1.16 0.00 0.00 24 R 8.86 4.97 0.00 1.82 1.80 0.00 3.27 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 25 S 8.35 4.94 0.00 3.81 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 26 L 9.13 4.02 0.00 1.58 1.79 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.84 4.27 0.00 1.93 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 2.31 2.24 0.00 28 A 7.22 4.49 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 *30 S 7.89 4.32 0.00 3.99 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 31 G 9.37 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 32 A 9.14 5.41 1.13 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 33 F 8.76 5.46 0.00 2.98 2.97 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 34 D 9.24 5.07 0.00 2.51 2.51 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 35 L 9.11 4.91 0.00 0.45 0.13 0.14 -0.06 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 36 E 9.01 5.36 0.00 2.06 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 2.31 2.22 0.00 *38 T 8.39 4.76 4.19 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 1.27 0.00 0.00 39 Y 8.93 4.60 0.00 2.82 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 40 K 8.60 4.56 0.00 1.03 0.74 0.00 1.73 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.04 1.23 7.81 41 F 7.80 3.96 0.00 3.21 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 42 L 8.00 4.16 0.00 1.58 1.57 0.94 1.15 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 43 G 8.45 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.61 4.36 0.00 2.71 2.87 0.00 0.00 6.92 8.47 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 45 D 7.99 4.55 0.00 2.71 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 46 A 7.95 4.12 1.26 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 0.00 0.00 47 Q 7.79 3.89 0.00 1.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.26 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 48 Y 8.04 3.50 0.00 3.20 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.34 4.66 0.00 1.62 1.63 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.34 7.81 50 A 8.62 3.95 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 51 F 7.95 4.67 0.00 2.96 2.94 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 52 I 6.77 4.65 2.06 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.89 0.00 0.00 53 E 8.72 3.97 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 2.23 2.30 0.00 54 P 0.00 3.22 0.00 1.70 1.48 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 55 I 5.95 3.65 1.65 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.11 0.80 0.00 0.00 56 K 8.30 3.99 0.00 1.78 1.68 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.29 7.81 57 Q 8.47 4.24 0.00 2.42 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 58 G 9.48 4.02 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 0.00 0.00 0.00 59 Q 7.59 4.36 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 60 A 8.82 4.65 1.32 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 61 C 8.88 5.08 0.00 3.08 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 62 T 8.65 5.00 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 1.20 0.00 0.00 63 V 8.56 4.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.03 0.00 0.00 64 D 8.93 5.36 0.00 2.59 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 65 I 8.74 4.60 1.77 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 1.17 0.00 0.00 66 G 9.38 4.16 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 0.00 0.00 0.00 67 G 8.58 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 0.00 0.00 0.00 68 E 7.86 4.44 0.00 2.07 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 2.25 2.21 0.00 69 R 8.73 4.63 0.00 1.52 1.26 0.00 3.02 0.00 0.00 3.91 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.30 0.00 70 V 8.46 4.31 1.82 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 0.61 0.00 0.00 0.68 0.00 0.00 71 I 7.33 4.73 1.64 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 1.24 0.93 1.05 0.00 0.00 72 T 8.52 4.81 4.33 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 1.22 0.00 0.00 73 G 8.76 4.19 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 0.00 74 Y 8.57 5.50 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.05 3.89 2.21 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 1.09 0.00 0.00 1.10 0.00 0.00 76 D 9.23 4.56 0.00 2.69 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 77 D 7.98 5.05 0.00 2.52 2.51 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 78 W 8.96 5.11 0.00 3.38 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 79 V 8.36 4.17 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 0.82 0.00 0.00 0.86 0.00 0.00 80 P 0.00 4.81 0.00 1.98 1.25 0.00 3.44 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 81 S 8.92 4.64 0.00 3.71 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 82 Y 7.73 5.18 0.00 3.12 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.86 4.73 0.00 2.78 2.69 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 0.00 0.00 0.00 0.00 84 E 9.34 4.02 0.00 2.02 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 2.50 2.48 0.00 85 S 8.65 4.77 0.00 3.86 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 86 T 7.77 5.21 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 1.23 0.00 0.00 87 I 8.82 5.20 2.21 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 1.29 0.87 1.10 0.00 0.00 88 T 9.77 5.26 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 1.27 0.00 0.00 89 I 8.73 4.74 2.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.36 0.88 0.00 0.00 90 S 8.54 5.16 0.00 3.92 3.71 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 V 9.15 5.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.00 0.00 0.00 92 S 8.40 4.45 0.00 3.83 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 93 G 6.53 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 0.00 0.00 0.00 0.00 94 R 8.04 5.33 0.00 1.70 1.79 0.00 3.11 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 95 D 8.67 4.91 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 96 K 8.79 4.00 0.00 2.00 2.01 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.12 1.50 7.81 97 T 7.92 4.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 98 A 8.25 3.98 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 99 D 8.25 4.30 0.00 2.75 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 0.00 100 L 7.39 3.62 0.00 1.65 1.54 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.31 3.65 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 0.84 0.00 0.00 0.78 0.00 0.00 102 D 8.06 4.50 0.00 2.69 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 0.00 103 C 7.26 4.99 0.00 3.22 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 0.00 104 S 8.57 4.54 0.00 3.82 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 0.00 105 I 8.65 4.05 2.03 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 1.23 0.62 1.07 0.00 0.00 106 D 8.92 4.74 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.02 4.70 0.00 3.01 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 0.00 108 P 0.00 4.13 0.00 1.85 2.00 0.00 3.47 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.04 0.00 109 S 7.44 3.95 0.00 3.81 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 0.00 110 G 9.33 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 0.00 111 Q 7.27 5.02 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 112 F 9.57 5.09 0.00 2.98 2.94 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 0.00 113 N 8.58 5.36 0.00 2.66 2.73 0.00 0.00 7.17 6.92 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 0.00 114 N 8.80 4.61 0.00 2.89 2.92 0.00 0.00 6.89 8.14 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 0.00 115 Q 7.42 4.80 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.84 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 116 T 8.87 4.58 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 117 L 8.61 3.99 0.00 2.03 1.81 0.90 0.79 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 0.00 118 T 7.91 3.83 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 0.00 119 Q 7.88 3.97 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 120 I 7.70 3.07 1.66 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 0.39 0.39 0.03 0.00 0.00 121 A 8.21 3.88 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 0.00 122 D 8.27 4.32 0.00 2.87 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 0.00 123 I 7.32 3.71 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.50 0.87 0.00 0.00 124 V 7.54 3.88 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 0.74 0.00 0.00 0.95 0.00 0.00 125 C 8.28 4.51 0.00 3.11 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 0.00 126 K 7.94 3.88 0.00 2.05 2.10 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.57 7.81 127 P 0.00 4.25 0.00 1.94 2.07 0.00 3.98 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 128 F 8.05 4.53 0.00 3.24 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 0.00 129 G 8.20 3.99 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 0.00 130 I 7.94 4.46 1.97 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 1.50 0.96 0.99 0.00 0.00 131 K 8.41 4.53 0.00 1.94 1.72 0.00 1.63 0.00 0.00 1.90 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.45 7.81 132 V 8.28 4.68 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 0.80 0.00 0.00 0.91 0.00 0.00 133 I 9.13 4.45 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 1.14 1.13 0.93 0.00 0.00 134 V 8.44 4.49 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 0.93 0.00 0.00 135 N 9.33 5.00 0.00 2.69 2.84 0.00 0.00 6.98 7.50 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 0.00 136 T 7.50 4.46 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 137 D 8.45 4.43 0.00 2.65 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 0.00 138 V 8.37 3.75 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 0.84 0.00 0.00 0.95 0.00 0.00 139 G 7.77 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 0.00 0.00 0.00 140 E 8.28 4.02 0.00 1.75 1.75 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 2.22 2.19 0.00 141 P 0.00 4.48 0.00 1.91 2.13 0.00 3.58 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 142 F 9.19 4.57 0.00 3.00 2.97 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 0.00 143 Q 9.23 4.20 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 144 R 7.86 5.17 0.00 1.53 1.64 0.00 3.20 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 145 I 9.38 4.63 2.01 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.87 0.00 0.00 146 Q 8.69 4.99 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 147 I 8.49 4.12 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.98 0.00 0.00 148 E 9.00 4.18 0.00 2.07 1.86 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 2.32 2.24 0.00 149 Q 8.48 4.07 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 150 G 8.98 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 0.00 0.00 0.00 151 E 8.22 4.18 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 152 T 8.37 4.94 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 153 P 0.00 4.24 0.00 2.05 2.14 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.30 0.00 154 H 8.36 4.14 0.00 3.22 3.33 0.00 5.79 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 0.00 155 E 8.28 3.79 0.00 2.14 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 2.29 2.30 0.00 156 L 7.92 3.87 0.00 1.88 1.75 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.98 3.91 0.00 1.70 1.66 0.87 0.42 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 0.00 158 A 8.14 3.96 1.26 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 0.00 0.00 159 R 7.66 3.84 0.00 1.91 2.14 0.00 2.71 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.58 0.00 160 L 7.71 3.78 0.00 1.76 1.54 0.54 -0.23 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 0.00 161 A 8.14 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 K 8.02 3.91 0.00 1.93 2.00 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.64 7.81 163 Q 7.90 4.12 0.00 2.50 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 164 R 7.67 4.49 0.00 1.80 1.98 0.00 3.45 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 165 G 8.15 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 0.00 166 V 7.81 4.59 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 0.84 0.00 0.00 0.97 0.00 0.00 167 L 9.24 4.88 0.00 1.64 1.55 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 168 L 8.40 5.16 0.00 1.53 1.58 0.97 0.79 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 0.00 169 T 9.00 4.92 4.43 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 1.22 0.00 0.00 170 S 8.93 5.59 0.00 4.08 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 0.00 171 D 8.08 4.98 0.00 2.97 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 0.00 172 T 8.28 3.91 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 1.09 0.00 0.00 173 F 7.67 5.05 0.00 3.21 3.09 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 0.00 0.00 0.00 174 G 7.97 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 0.00 0.00 0.00 175 N 8.51 4.95 0.00 2.98 2.91 0.00 0.00 6.69 7.60 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 0.00 176 L 8.75 4.55 0.00 1.77 1.65 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 177 V 9.07 4.80 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 1.03 0.00 0.00 0.96 0.00 0.00 178 I 8.71 4.84 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 1.12 0.50 0.93 0.00 0.00 179 T 9.04 4.78 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 1.23 0.00 0.00 180 R 8.32 5.06 0.00 1.68 1.78 0.00 3.29 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 181 A 8.71 4.10 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 S 9.02 4.62 0.00 3.98 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 0.00 183 K 8.22 4.55 0.00 1.74 1.83 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.42 7.81 184 T 7.92 4.11 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 1.22 0.00 0.00 185 K 8.56 4.79 0.00 1.63 1.73 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 186 A 8.97 3.94 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 0.00 187 G 10.05 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 0.00 188 V 7.02 4.45 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 0.37 0.00 0.00 1.01 0.00 0.00 189 S 8.37 4.97 0.00 3.75 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 0.00 190 L 8.89 4.64 0.00 1.16 1.14 0.55 0.59 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 0.00 191 I 8.76 4.85 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 1.12 0.73 0.93 0.00 0.00 192 L 8.57 4.01 0.00 1.66 1.66 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 193 G 9.22 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 0.00 194 D 7.38 4.56 0.00 2.64 2.69 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 0.00 0.00 0.00 0.00 195 N 8.07 4.93 0.00 2.95 2.94 0.00 0.00 5.90 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.68 4.07 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 0.98 0.00 0.00 1.14 0.00 0.00 197 K 9.06 4.31 0.00 1.82 2.00 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.41 7.81 198 A 7.76 4.80 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 0.00 199 A 8.19 4.86 0.61 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 0.00 0.00 200 R 8.52 4.60 0.00 1.78 1.88 0.00 2.67 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 201 G 8.40 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 R 7.64 4.57 0.00 1.73 1.60 0.00 3.07 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 203 F 9.00 5.21 0.00 2.95 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 0.00 204 S 8.93 4.79 0.00 3.81 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 0.00 205 W 8.64 4.83 0.00 3.32 3.07 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 0.00 206 R 8.21 3.92 0.00 1.81 2.02 0.00 3.12 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 207 Q 7.96 4.62 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 208 R 7.23 4.59 0.00 1.48 1.36 0.00 3.29 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 209 F 8.08 4.61 0.00 1.91 2.51 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 0.00 210 S 8.58 4.22 0.00 3.81 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 0.00 211 K 7.51 4.89 0.00 1.75 1.49 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.48 7.81 212 F 10.09 5.08 0.00 3.00 2.94 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 0.00 213 T 8.97 4.93 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 1.28 0.00 0.00 214 I 8.68 4.67 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.64 0.93 0.00 0.00 215 K 9.34 3.64 0.00 1.77 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.42 1.47 7.81 *233 G 8.74 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 0.00 234 G 8.47 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 0.00 235 I 7.66 4.05 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 1.27 0.73 0.91 0.00 0.00 236 K 8.62 5.56 0.00 1.46 1.52 0.00 1.62 0.00 0.00 2.37 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 0.84 7.81 237 A 8.43 4.73 1.21 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 0.00 238 D 8.80 5.21 0.00 2.58 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 0.00 239 V 9.24 4.26 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 0.95 0.00 0.00 1.00 0.00 0.00 240 T 8.57 4.57 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 1.24 0.00 0.00 241 D 8.81 4.97 0.00 2.95 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 0.00 242 S 8.82 4.27 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.23 4.92 1.82 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 1.30 0.68 0.89 0.00 0.00 252 I 9.11 4.61 1.91 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 1.09 0.96 0.94 0.00 0.00 253 V 8.43 4.68 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 0.71 0.00 0.00 0.93 0.00 0.00 254 N 8.69 4.79 0.00 2.65 2.65 0.00 0.00 7.35 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 E 8.90 4.23 0.00 2.03 1.84 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 2.23 1.87 0.00 256 E 8.40 4.15 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 257 V 7.31 3.90 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 0.89 0.00 0.00 0.93 0.00 0.00 258 T 8.49 4.66 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 0.00 259 T 7.44 4.71 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 0.00 260 A 8.59 4.16 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 0.00 261 E 8.20 4.10 0.00 1.99 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 2.31 1.94 0.00 262 G 8.14 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 263 A 8.51 4.01 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 0.00 264 A 8.18 4.05 1.42 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 0.00 0.00 0.00 265 K 8.27 4.00 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 266 R 8.36 4.30 0.00 1.88 1.96 0.00 3.13 0.00 0.00 2.90 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 267 G 8.01 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 0.00 268 Q 8.17 3.94 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 269 W 8.21 3.98 0.00 3.46 3.35 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 0.00 270 E 8.20 3.68 0.00 2.36 1.50 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 2.43 2.37 0.00 271 R 7.16 2.85 0.00 1.35 1.82 0.00 3.34 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 272 Q 7.87 3.92 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 273 R 7.21 3.53 0.00 0.95 1.46 0.00 2.21 0.00 0.00 2.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.17 0.00 274 S 7.55 4.14 0.00 4.48 4.19 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 0.00 275 I 7.48 3.87 1.94 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 1.58 0.75 0.90 0.00 0.00 276 G 7.83 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 0.00 277 K 7.67 4.15 0.00 1.88 1.99 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 278 S 8.13 4.70 0.00 4.05 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 0.00 279 N 7.72 5.64 0.00 2.57 2.47 0.00 0.00 7.20 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 *281 A 8.11 4.20 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 0.00 282 E 8.90 4.91 0.00 1.87 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 283 Y 9.31 4.71 0.00 2.83 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 0.00 284 T 8.99 4.94 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 1.20 0.00 0.00 285 V 8.60 4.84 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.81 0.00 0.00 286 T 8.55 4.28 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 1.23 0.00 0.00 287 G 9.13 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 288 W 8.49 5.38 0.00 3.48 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 289 R 8.19 4.95 0.00 1.76 1.87 0.00 3.26 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 290 I 8.28 3.67 1.47 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.64 0.00 0.00 291 P 0.00 4.22 0.00 2.18 2.11 0.00 3.61 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 292 Q 8.22 4.02 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 293 T 7.20 4.22 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 1.11 0.00 0.00 294 G 8.63 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 0.00 0.00 0.00 295 K 7.50 4.52 0.00 1.67 1.69 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.37 7.81 296 L 8.38 4.70 0.00 1.54 1.66 0.70 0.84 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 0.00 297 W 8.58 4.35 0.00 3.26 3.27 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 0.00 298 N 8.89 5.16 0.00 2.70 2.71 0.00 0.00 7.13 7.94 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 0.00 299 I 8.16 4.02 1.89 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 1.35 0.69 0.95 0.00 0.00 300 N 9.18 4.18 0.00 2.83 2.95 0.00 0.00 6.93 8.37 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 0.00 301 T 7.23 4.94 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 1.28 0.00 0.00 302 L 9.13 4.94 0.00 1.59 1.64 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 303 V 8.21 4.72 2.24 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 0.77 0.00 0.00 1.08 0.00 0.00 304 P 0.00 4.50 0.00 2.09 2.02 0.00 3.75 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 2.12 2.25 0.00 305 V 8.76 4.73 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 0.77 0.00 0.00 0.75 0.00 0.00 306 I 8.71 4.66 1.88 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 1.12 0.55 0.92 0.00 0.00 307 D 9.28 4.76 0.00 2.79 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 0.00 308 E 8.89 4.00 0.00 1.98 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 2.28 2.32 0.00 309 I 7.70 3.95 1.99 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 1.23 0.66 0.90 0.00 0.00 *311 G 7.76 3.71 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 0.00 0.00 0.00 312 L 8.22 4.77 0.00 1.68 1.63 1.19 1.25 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 0.00 313 D 8.17 5.01 0.00 2.64 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 0.00 314 E 8.47 4.73 0.00 2.08 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 2.23 2.27 0.00 315 E 8.56 4.50 0.00 2.01 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 2.30 2.32 0.00 *317 L 8.21 4.29 0.00 1.85 1.57 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 318 I 8.63 4.37 2.04 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.95 0.00 0.00 319 A 9.11 4.39 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 320 S 7.55 4.96 0.00 3.82 3.58 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 0.00 321 I 8.61 4.82 1.48 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.74 -0.38 0.00 0.00 322 L 8.58 4.86 0.00 1.60 1.37 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 323 F 9.01 4.94 0.00 2.32 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 0.00 324 S 9.48 5.50 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 325 E 9.35 5.39 0.00 2.43 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 2.24 2.16 0.00 326 D 8.66 5.06 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 327 D 9.19 4.43 0.00 2.71 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 0.00 328 A 8.33 4.11 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 0.00 329 G 6.68 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 0.00 0.00 0.00 330 R 8.03 4.82 0.00 1.23 0.66 0.00 2.35 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.20 0.00 331 L 9.25 5.40 0.00 1.67 1.56 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 332 A 9.00 4.95 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 0.00 333 V 8.54 4.42 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 0.93 0.00 0.00 0.87 0.00 0.00 334 I 8.83 4.58 1.67 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 0.49 0.07 0.72 0.00 0.00 335 S 9.07 4.92 0.00 3.78 3.67 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 0.00 336 V 8.70 5.04 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 0.74 0.00 0.00 1.11 0.00 0.00 337 V 8.39 4.58 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 0.61 0.00 0.00 0.92 0.00 0.00 338 R 8.49 4.01 0.00 1.87 1.91 0.00 3.23 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 339 P 0.00 4.28 0.00 2.08 2.11 0.00 3.75 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 2.04 2.09 0.00 340 D 8.04 4.44 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 341 A 7.85 4.00 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 *343 D 8.09 4.25 0.00 2.65 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 0.00 344 I 8.14 5.04 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 1.10 1.01 0.91 0.00 0.00 345 P 0.00 4.59 0.00 2.22 2.09 0.00 3.71 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.