NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4952 8.3049 118.1974 54.7155 32.2539 174.9100 2 L 3.8068 7.8583 121.2300 58.0065 42.3784 176.0943 3 A 4.3451 7.0522 118.1226 51.3462 22.6026 175.3194 4 D 4.6953 8.3863 118.5886 52.9197 41.0098 175.5995 5 K 4.0213 8.8866 117.5471 60.4667 32.1928 178.4290 6 E 4.4305 7.9499 118.9115 55.8019 27.1890 175.9196 7 S 4.4946 7.8856 113.3027 59.5299 65.9502 176.2061 8 L 4.4737 7.7420 119.2880 54.6547 41.1954 177.6606 9 I 3.9852 6.9983 119.5834 62.7613 38.0909 176.0742 10 E 4.2369 7.9454 122.4246 56.7447 30.1799 177.5769 11 A 4.3265 7.9500 120.3219 54.6891 19.4643 178.6891 12 L 4.6596 6.9945 116.6783 51.1944 41.8274 175.7361 13 K 4.4246 7.4818 117.0549 54.3860 33.8423 172.4125 14 L 4.1890 7.8235 117.9172 54.0535 45.2705 172.6689 15 A 4.5011 8.3541 127.1614 52.9881 25.5775 175.8669 16 L 4.3260 7.7726 116.3046 54.7399 41.9140 175.8236 17 S 4.4423 7.7014 122.7552 58.5590 65.7193 174.2650 18 T 4.5067 7.9399 104.1615 62.2663 70.4964 175.1999 19 E 3.8018 8.9387 125.3882 58.5399 32.0460 178.2024 20 Y 4.1238 8.4185 115.6494 59.5133 37.6090 177.4445 21 N 4.9845 5.7700 130.9159 53.9364 39.6209 173.5830 22 V 4.4897 7.9771 115.4104 61.1591 34.8598 176.3025 23 K 4.3196 8.3093 126.7426 55.2403 30.7916 178.2957 24 R 4.2417 7.4433 121.1396 55.8523 31.8368 175.9584 25 N 4.5635 8.8278 115.7892 56.4511 38.9694 175.2460 26 F 5.1000 7.3665 110.1497 54.5212 40.8217 174.9045 27 T 3.9528 8.4519 118.5740 64.0625 69.2747 175.1395 28 Q 4.5162 8.1239 125.4324 55.5802 30.6527 173.2327 29 S 5.0186 8.2795 117.4518 58.0105 65.4315 173.0701 30 V 4.4425 7.8566 119.7357 61.8962 34.6322 175.5070 31 E 4.6382 8.3861 123.2980 54.5223 32.5089 175.2432 32 I 4.5898 7.9709 120.4498 59.6517 40.8427 173.6726 33 I 4.8157 8.3663 129.3417 59.7087 40.7767 174.9654 34 L 5.1521 8.3994 126.3249 53.2107 45.1589 175.2727 35 T 4.7562 8.1778 109.1269 60.2217 70.9355 174.0117 36 F 4.9364 8.7085 125.8381 56.3268 41.4370 175.7586 37 K 4.3740 8.9645 120.4134 55.9013 32.6866 176.2701 38 G 3.9816 9.9328 114.5725 44.3920 0.0000 170.2329 39 I 4.2001 7.5499 118.5063 60.6341 40.7058 173.3702 40 D 4.3663 8.3724 123.1572 53.6715 43.5457 175.7396 *42 K 4.3456 8.5824 122.3340 56.2312 34.3690 176.3651 43 K 4.5204 8.0908 116.8475 55.1911 34.3761 175.6960 44 G 3.8200 8.2169 104.4115 45.0382 0.0000 172.6962 45 D 4.9460 8.7098 116.7145 52.2938 41.8297 177.2063 46 L 4.5800 7.6650 122.1104 53.4435 41.6178 177.5159 47 K 3.6253 8.5777 109.6993 56.7803 28.4578 172.6474 48 L 4.2999 7.9496 120.9156 53.8267 41.4107 175.9905 49 R 4.4647 8.1805 126.3420 53.8393 30.0635 173.8700 50 E 4.7294 8.2834 121.6867 54.2327 32.6151 176.7663 51 I 4.4855 8.0769 121.4679 59.8960 36.1029 175.0386 52 V 4.4403 7.9079 124.1325 60.0512 31.6051 174.2977 53 P 4.3179 0.0000 0.0000 61.1266 33.1614 175.1828 54 L 4.7328 7.8433 117.6134 52.9121 44.4026 174.0401 55 P 4.1509 0.0000 0.0000 65.0491 31.8173 176.9960 56 K 3.8963 7.8110 120.5648 57.0642 33.0034 176.7408 57 Q 4.5230 8.2452 121.7704 54.0219 30.1085 173.9666 58 P 5.1394 0.0000 0.0000 62.0689 30.6072 177.8397 59 S 4.6560 8.2544 123.7368 57.8825 64.4228 174.0266 60 K 3.9788 8.6744 120.5745 57.3856 31.0537 176.7746 61 A 4.1216 8.2924 129.3143 52.3108 18.3981 178.5989 62 K 4.3609 8.4485 117.3859 53.9119 34.2407 176.2197 63 R 4.7005 8.2306 120.0970 54.8102 33.3610 174.5421 64 V 4.5800 7.9944 120.1459 59.6984 34.8902 174.0293 65 L 4.7598 7.8990 125.3056 53.1252 44.3792 175.5323 66 V 4.4458 8.0219 123.2720 61.1404 34.6856 174.5033 67 V 4.6174 8.2176 126.0592 61.6125 30.9729 173.4084 68 P 4.5185 0.0000 0.0000 62.1394 30.8749 179.3202 69 S 4.4757 8.7351 115.4368 58.5524 66.0719 176.2436 70 S 4.5406 8.8717 112.1561 59.3582 62.8549 175.2996 71 E 4.6167 7.7869 117.5828 56.7375 29.6888 175.9504 72 Q 4.6438 7.5931 117.5235 55.5980 29.9512 176.3764 73 L 4.2272 7.6337 120.4588 57.3294 42.9299 178.2665 74 E 3.9615 8.0275 120.3899 59.6502 29.8265 177.6222 75 Y 4.4373 7.9833 113.9808 58.1278 37.6412 175.0764 76 A 4.8920 8.1198 121.8635 52.0454 19.9854 177.6540 77 K 4.6257 8.0164 114.7287 57.8192 34.8556 177.7585 78 K 4.6660 8.0420 118.5633 55.0448 30.7675 176.5803 79 A 4.2536 7.9504 119.3755 51.4919 23.3637 176.5065 80 S 3.6753 7.9832 110.0973 58.6109 62.4506 170.3592 81 P 4.1873 0.0000 0.0000 64.1912 30.7176 177.2450 82 K 4.4163 7.7098 122.4933 56.5694 34.2549 175.5299 83 V 4.5422 7.0364 115.3068 60.5581 34.8208 172.2155 84 V 4.7076 8.3758 122.5415 61.5761 34.4182 174.7115 85 I 4.8958 7.8748 128.1464 59.9850 39.9002 174.5659 86 T 4.8365 8.3832 114.0130 61.6232 68.9426 172.1916 87 R 4.3186 7.3430 115.5430 57.8162 32.1737 177.7850 88 E 4.1004 8.1750 119.2378 59.7889 30.4366 179.0980 89 E 4.3321 7.8718 116.7734 54.9815 28.3140 179.2882 90 L 4.4900 7.1368 118.6490 54.9212 43.3394 174.1273 91 Q 4.5971 8.0693 124.9753 55.1198 30.4319 175.9719 92 K 4.2642 8.2721 120.5232 57.5609 32.8360 176.2731 93 L 4.6981 7.6241 117.9772 54.4165 42.0400 177.1798 94 Q 4.5904 7.7986 116.2869 55.6719 29.5588 174.6060 95 G 4.0489 8.2527 103.9449 46.8043 0.0000 174.6571 96 Q 4.4794 7.8228 124.0351 55.2194 28.5679 174.6462 97 K 4.4881 7.9723 117.0479 58.7344 35.9683 178.2823 98 R 4.0027 8.2830 120.2858 59.2465 30.9656 177.0366 99 P 4.2617 0.0000 0.0000 64.9648 31.2142 177.5811 100 V 3.6847 7.4841 116.8988 65.3085 32.1174 176.3456 101 K 4.6103 8.0055 121.5523 55.3113 30.7069 177.0169 102 K 4.6962 7.5719 113.0656 55.9779 35.5887 177.0218 103 L 4.8816 7.3927 118.7392 53.6241 42.5588 176.5146 104 A 4.7902 7.8621 119.7742 53.3230 25.5367 178.6537 105 R 4.0935 8.2821 116.0377 58.7639 30.5435 177.3688 106 Q 4.6161 7.7618 114.7213 55.6126 28.8138 176.4926 107 N 4.6671 7.7015 115.3478 51.9876 40.8126 174.5960 108 E 3.8938 8.0597 123.5342 57.8661 29.4617 177.9741 109 W 4.1643 8.7401 115.6517 56.5865 30.7513 175.3193 110 F 4.8611 8.7743 119.0335 56.1078 41.3035 175.1679 111 L 5.0602 8.3679 121.5754 54.3537 43.1346 176.9136 112 I 3.8371 8.3456 119.3025 61.5870 37.5075 176.1120 113 N 4.5108 8.7308 122.0279 53.2677 38.9412 175.7296 114 Q 4.2634 8.6956 121.3570 57.8148 29.3022 176.3526 115 E 4.7461 7.4309 115.2574 55.8707 30.0454 176.5321 116 S 4.3364 7.7626 111.7611 59.0756 66.9621 175.0399 *118 A 4.3869 8.6030 127.9043 52.1624 20.0659 178.2220 119 L 4.0767 7.9432 115.0406 57.5072 42.4702 177.2930 120 A 4.6758 7.8909 116.2730 52.2500 22.8077 177.5438 121 G 3.7605 7.6878 106.3313 47.6207 0.0000 175.0055 122 R 4.1433 8.3035 120.2527 56.9363 30.9073 177.4528 123 I 4.3046 7.5740 118.6768 62.6714 38.3634 176.8271 124 L 4.8980 7.8772 118.3979 54.3138 44.9925 176.4390 125 G 3.8958 8.7434 108.5747 45.0181 0.0000 174.1060 126 P 4.5081 0.0000 0.0000 63.7463 31.5547 177.4298 127 A 4.1520 7.7408 121.2327 54.4731 19.0027 178.3279 128 L 4.2911 8.1308 117.5784 53.9770 39.4528 177.7520 129 G 3.6952 8.3645 111.3481 48.0481 0.0000 170.7735 130 P 4.3742 0.0000 0.0000 65.2741 31.3812 178.0661 131 R 3.8401 8.0574 117.4157 56.4215 30.6639 176.6826 132 G 3.8516 7.9158 105.4615 46.4134 0.0000 172.4186 133 K 4.0725 6.9588 118.7949 54.7495 35.5749 175.5517 134 F 4.3945 6.4360 113.9160 55.6785 39.9916 171.2762 135 P 4.7812 0.0000 0.0000 61.6518 32.4761 175.2418 136 T 4.8821 8.3219 110.8606 58.8796 71.8158 173.3683 137 P 4.6033 0.0000 0.0000 62.7089 32.2615 174.8493 138 L 4.2407 7.8538 116.2548 52.4737 45.6147 173.8360 139 P 4.2875 0.0000 0.0000 62.7695 31.8620 177.5103 140 N 4.6984 8.1166 118.1629 51.9781 37.0431 174.5185 141 T 4.5905 7.3628 110.2440 59.5219 72.1977 175.4486 142 A 4.3338 8.5659 124.3422 53.0969 18.3987 177.0121 143 D 4.7361 7.7043 116.4291 52.5841 43.9479 175.6591 144 I 4.4425 8.0417 123.4227 60.3895 38.9480 174.1109 145 S 4.9783 8.1071 121.2976 58.6786 70.0800 177.1261 146 E 4.0263 8.1835 120.4006 59.3777 29.1978 178.2362 147 Y 4.2282 8.0482 118.4479 60.4110 38.5914 177.6463 148 I 3.8494 7.8034 121.1272 64.4084 35.9139 178.1005 149 N 4.3701 7.9540 116.8750 55.7805 38.5955 176.1020 150 R 4.4755 7.8350 119.1641 56.0626 30.9628 176.2197 151 F 4.6582 7.4423 116.8239 59.0286 45.0711 175.2627 152 K 3.9531 7.9293 120.1261 59.2753 31.9123 179.2783 153 R 3.9063 6.9600 112.8202 57.8233 29.6849 176.5688 154 S 4.0599 6.5853 114.9869 58.5555 64.2708 173.2464 155 V 4.9369 7.5988 113.2670 60.3367 34.7318 175.1343 156 L 4.7804 9.2916 127.2345 53.3727 44.6888 176.3739 157 V 4.2699 8.1763 124.0784 60.0156 31.3406 174.8064 158 K 4.0669 8.2561 124.3828 56.7335 33.0974 177.1807 159 T 4.5284 8.1277 111.5027 60.7938 71.8613 171.6937 160 K 4.2150 8.6976 130.9221 56.4020 38.5664 176.3983 161 D 4.6301 8.8241 111.0989 52.6198 40.2836 176.6402 162 Q 4.5184 7.8284 117.2384 54.2934 32.2956 175.7769 163 P 4.1617 0.0000 0.0000 60.4189 29.2730 174.2935 164 Q 4.0316 6.3961 117.2306 55.9353 31.0924 176.4200 165 V 4.0111 8.4951 124.6771 62.3046 29.6344 173.4111 166 Q 4.5330 8.0588 120.1605 55.0875 29.3074 176.3956 167 V 4.3628 8.1797 124.7054 59.8124 31.5324 174.5447 168 F 4.1194 8.3713 125.0162 58.2665 40.0795 174.4348 169 I 4.8298 7.8209 121.1297 59.5893 42.7288 176.2514 170 G 4.6789 6.6027 107.9914 46.1307 0.0000 174.8031 171 T 4.3446 7.8948 119.6359 60.2429 69.3221 175.6295 172 E 4.8680 8.5013 105.9600 55.5038 30.3407 175.6244 173 D 4.4505 8.0154 119.5167 55.6356 42.2715 177.2126 *175 K 4.1264 7.7431 119.4693 55.5240 32.5614 174.4304 176 P 4.2381 0.0000 0.0000 65.6311 32.0767 177.7872 177 E 4.2305 8.1160 114.7246 57.3712 29.3581 177.3569 178 D 4.7933 8.5235 118.5878 55.1307 39.0927 176.6357 179 L 4.6244 7.7201 118.9342 55.0598 41.7216 179.1195 180 A 4.2933 7.6917 124.4905 55.2962 18.2826 178.6793 181 E 4.7084 7.5493 111.9960 55.7930 35.6088 177.0089 182 N 4.3475 8.2802 116.9697 57.2100 37.8047 176.4805 183 A 4.0088 7.9684 121.4411 54.8190 18.5850 178.8048 184 I 3.7764 7.5035 115.7127 62.3957 37.1301 176.7010 185 A 4.7428 7.8844 121.9221 52.5083 20.3671 177.2315 186 V 4.2375 7.9127 117.8617 65.6626 34.0036 176.8130 187 L 4.2297 7.5855 118.8011 57.8096 42.5346 179.5003 188 N 4.3036 8.2148 114.7778 56.3258 37.9847 176.5344 189 A 4.0634 7.8924 119.8472 55.2676 18.4412 177.4752 190 I 4.0885 7.0927 119.6479 62.2790 35.5097 175.0326 191 E 4.7011 8.2739 122.9919 56.4854 34.8937 175.2416 192 N 4.9429 7.7036 112.9440 53.2769 39.0798 173.7479 193 K 4.2923 7.7557 115.0036 57.5619 34.0762 176.9108 194 A 4.3120 7.8311 119.6741 52.1321 19.1047 177.5809 195 K 4.5179 8.1897 117.5010 54.5039 32.0537 175.9258 196 V 4.5686 7.3824 114.7844 60.2538 36.2421 173.0113 197 E 4.8171 8.3792 122.2857 57.1090 35.6400 174.5952 198 T 4.4654 7.2236 105.9143 61.6193 71.4324 172.8671 199 N 4.0904 8.9223 117.7317 53.6497 36.3216 173.9078 200 L 3.9676 7.5374 119.4019 54.6551 42.9667 177.8197 201 R 4.1217 7.5724 120.8487 56.0264 30.2997 176.0482 202 N 4.5531 8.6906 115.8594 54.4470 39.1099 173.9595 203 I 4.7970 7.9553 119.5658 59.9704 39.5301 174.9494 204 Y 4.9159 8.8468 122.9423 56.5842 41.9977 174.8243 205 V 4.7538 8.1060 113.0095 60.6348 36.8837 173.5528 206 K 4.9014 8.1732 120.1463 57.0782 35.1292 173.8927 207 T 4.4554 7.6987 111.5191 60.8931 70.3643 175.0869 208 T 4.8441 7.2637 114.3441 65.7609 68.3422 176.0089 *210 G 4.2500 7.3667 108.2054 44.2199 0.0000 175.6058 211 K 4.6351 7.1150 121.2280 54.3265 35.8315 174.9054 212 A 4.8887 8.4093 120.3766 51.4575 22.1499 176.8698 213 V 4.7275 8.0549 120.8893 61.8693 34.4389 174.2586 214 K 4.6312 8.5142 116.9811 55.8286 36.6170 175.3335 215 V 4.6264 7.7854 120.3025 61.7096 33.8836 173.7560 216 K 4.5691 8.0695 116.3577 55.2656 36.2719 176.0080 217 R 4.0883 8.3670 118.9403 56.7624 30.0351 175.8831 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 4.50 0.00 2.52 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 L 7.86 3.81 0.00 1.76 1.81 0.97 0.56 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 3 A 7.05 4.35 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 4 D 8.39 4.70 0.00 2.78 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 5 K 8.89 4.02 0.00 1.77 1.94 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.49 7.81 6 E 7.95 4.43 0.00 2.07 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 2.34 2.29 0.00 7 S 7.89 4.49 0.00 3.92 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 8 L 7.74 4.47 0.00 1.66 1.72 0.93 0.82 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 9 I 7.00 3.99 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 1.30 0.51 0.90 0.00 0.00 10 E 7.95 4.24 0.00 1.92 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 2.28 2.30 0.00 11 A 7.95 4.33 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 12 L 6.99 4.66 0.00 1.58 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.48 4.42 0.00 1.63 1.76 0.00 1.79 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 1.24 7.81 14 L 7.82 4.19 0.00 1.53 1.46 0.72 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.35 4.50 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 16 L 7.77 4.33 0.00 1.57 1.60 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.70 4.44 0.00 3.76 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 18 T 7.94 4.51 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 19 E 8.94 3.80 0.00 1.94 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 2.21 2.30 0.00 20 Y 8.42 4.12 0.00 2.86 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 21 N 5.77 4.98 0.00 2.78 2.67 0.00 0.00 6.98 7.59 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 22 V 7.98 4.49 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 0.87 0.00 0.00 0.92 0.00 0.00 23 K 8.31 4.32 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 24 R 7.44 4.24 0.00 1.53 1.75 0.00 3.27 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.00 25 N 8.83 4.56 0.00 2.98 3.02 0.00 0.00 6.54 7.45 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 26 F 7.37 5.10 0.00 3.14 2.95 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 27 T 8.45 3.95 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 28 Q 8.12 4.52 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 29 S 8.28 5.02 0.00 3.76 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 106 Q 7.76 4.62 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 107 N 7.70 4.67 0.00 2.42 2.33 0.00 0.00 7.12 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 0.00 108 E 8.06 3.89 0.00 1.82 1.80 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 2.38 2.21 0.00 109 W 8.74 4.16 0.00 3.28 3.04 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 0.00 110 F 8.77 4.86 0.00 3.03 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 0.00 111 L 8.37 5.06 0.00 1.67 1.68 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.35 3.84 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.78 1.04 0.00 0.00 113 N 8.73 4.51 0.00 2.86 2.76 0.00 0.00 6.78 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.70 4.26 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.54 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 115 E 7.43 4.75 0.00 2.08 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 2.23 2.39 0.00 116 S 7.76 4.34 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *118 A 8.60 4.39 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.94 4.08 0.00 1.62 1.74 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.89 4.68 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 0.00 121 G 7.69 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 0.00 122 R 8.30 4.14 0.00 1.82 1.99 0.00 3.19 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 123 I 7.57 4.30 1.90 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 1.43 0.62 0.98 0.00 0.00 124 L 7.88 4.90 0.00 1.70 1.82 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.74 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 0.00 126 P 0.00 4.51 0.00 2.18 2.21 0.00 3.51 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 127 A 7.74 4.15 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 0.00 128 L 8.13 4.29 0.00 1.67 1.64 0.98 0.74 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 0.00 129 G 8.36 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 0.00 130 P 0.00 4.37 0.00 2.18 2.19 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 131 R 8.06 3.84 0.00 1.81 2.03 0.00 3.37 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 132 G 7.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 6.96 4.07 0.00 1.56 1.15 0.00 1.94 0.00 0.00 2.44 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.31 7.81 134 F 6.44 4.39 0.00 2.94 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 0.00 135 P 0.00 4.78 0.00 2.26 2.09 0.00 3.79 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 1.99 1.95 0.00 136 T 8.32 4.88 4.56 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 1.56 0.00 0.00 137 P 0.00 4.60 0.00 2.20 2.18 0.00 3.87 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 2.08 2.05 0.00 138 L 7.85 4.24 0.00 1.39 1.16 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.29 0.00 1.77 1.81 0.00 2.77 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 140 N 8.12 4.70 0.00 2.66 2.73 0.00 0.00 6.63 7.54 0.00 0.00 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 T 7.36 4.59 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 1.15 0.00 0.00 142 A 8.57 4.33 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 0.00 143 D 7.70 4.74 0.00 2.49 2.40 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 0.00 144 I 8.04 4.44 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.95 0.00 0.00 145 S 8.11 4.98 0.00 3.89 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 0.00 146 E 8.18 4.03 0.00 2.11 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 2.48 0.00 147 Y 8.05 4.23 0.00 2.84 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.80 3.85 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.93 0.92 0.00 0.00 149 N 7.95 4.37 0.00 3.11 2.84 0.00 0.00 6.75 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 0.00 150 R 7.84 4.48 0.00 1.83 1.89 0.00 3.39 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 151 F 7.44 4.66 0.00 2.77 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 0.00 152 K 7.93 3.95 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.65 7.81 153 R 6.96 3.91 0.00 1.98 1.98 0.00 3.17 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.44 0.00 154 S 6.59 4.06 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 0.00 155 V 7.60 4.94 2.43 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 0.91 0.00 0.00 1.08 0.00 0.00 156 L 9.29 4.78 0.00 0.40 1.06 0.59 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.18 4.27 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 1.01 0.00 0.00 1.05 0.00 0.00 158 K 8.26 4.07 0.00 1.89 1.75 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.36 7.81 159 T 8.13 4.53 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 1.25 0.00 0.00 160 K 8.70 4.21 0.00 1.67 1.41 0.00 2.00 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.34 7.81 161 D 8.82 4.63 0.00 2.76 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 0.00 162 Q 7.83 4.52 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.57 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 163 P 0.00 4.16 0.00 2.06 2.16 0.00 3.63 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 1.92 1.89 0.00 164 Q 6.40 4.03 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.53 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 165 V 8.50 4.01 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 0.89 0.00 0.00 1.26 0.00 0.00 166 Q 8.06 4.53 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 167 V 8.18 4.36 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 0.87 0.00 0.00 1.01 0.00 0.00 168 F 8.37 4.12 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.82 4.83 1.87 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 1.35 0.80 0.82 0.00 0.00 170 G 6.60 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.89 4.34 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 1.29 0.00 0.00 172 E 8.50 4.87 0.00 1.98 1.90 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 2.08 2.42 0.00 173 D 8.02 4.45 0.00 2.75 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 *175 K 7.74 4.13 0.00 2.08 1.85 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.53 7.81 176 P 0.00 4.24 0.00 2.01 2.13 0.00 3.66 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 2.02 2.12 0.00 177 E 8.12 4.23 0.00 2.06 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 2.39 2.38 0.00 178 D 8.52 4.79 0.00 2.72 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 0.00 179 L 7.72 4.62 0.00 1.69 1.66 0.93 1.18 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 0.00 180 A 7.69 4.29 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 0.00 181 E 7.55 4.71 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 182 N 8.28 4.35 0.00 2.80 2.79 0.00 0.00 7.10 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 7.97 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 I 7.50 3.78 2.01 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 1.46 1.40 0.92 0.00 0.00 185 A 7.88 4.74 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 V 7.91 4.24 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 0.95 0.00 0.00 1.03 0.00 0.00 187 L 7.59 4.23 0.00 1.92 1.72 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 188 N 8.21 4.30 0.00 2.87 2.91 0.00 0.00 6.84 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 0.00 189 A 7.89 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 I 7.09 4.09 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.95 0.00 0.00 191 E 8.27 4.70 0.00 1.90 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 2.20 2.28 0.00 192 N 7.70 4.94 0.00 2.67 2.76 0.00 0.00 6.84 6.56 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 0.00 193 K 7.76 4.29 0.00 1.70 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.49 7.81 194 A 7.83 4.31 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 0.00 195 K 8.19 4.52 0.00 1.69 1.73 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.48 7.81 196 V 7.38 4.57 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 0.67 0.00 0.00 0.94 0.00 0.00 197 E 8.38 4.82 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 198 T 7.22 4.47 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 0.00 199 N 8.92 4.09 0.00 2.97 2.99 0.00 0.00 5.85 7.79 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 0.00 200 L 7.54 3.97 0.00 1.50 1.50 0.72 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 201 R 7.57 4.12 0.00 1.57 1.95 0.00 3.34 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 202 N 8.69 4.55 0.00 3.01 2.66 0.00 0.00 6.58 7.45 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 0.00 203 I 7.96 4.80 1.85 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 1.41 0.63 0.97 0.00 0.00 204 Y 8.85 4.92 0.00 2.93 2.86 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 V 8.11 4.75 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 0.94 0.00 0.00 1.01 0.00 0.00 206 K 8.17 4.90 0.00 1.91 1.82 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.40 7.81 207 T 7.70 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 1.31 0.00 0.00 208 T 7.26 4.84 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 *210 G 7.37 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 0.00 0.00 0.00 0.00 211 K 7.12 4.64 0.00 1.74 1.67 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.27 7.81 212 A 8.41 4.89 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 0.00 213 V 8.05 4.73 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 0.85 0.00 0.00 1.00 0.00 0.00 214 K 8.51 4.63 0.00 1.58 1.53 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.45 7.81 215 V 7.79 4.63 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 0.84 0.00 0.00 0.97 0.00 0.00 216 K 8.07 4.57 0.00 1.70 1.63 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.39 7.81 217 R 8.37 4.09 0.00 1.74 1.78 0.00 3.25 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.