NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 R 5.1188 7.6774 119.1071 56.4298 31.7250 174.8876 25 G 4.2599 8.4439 110.0190 43.9465 0.0000 170.4001 26 L 4.6503 8.7792 119.3070 55.6525 44.1075 171.8478 27 T 5.1468 8.6480 116.0067 61.8340 72.0178 173.4836 28 I 4.6049 8.7026 126.6786 59.4572 39.7153 174.6427 29 W 4.8423 9.2160 135.0000 54.8011 31.7060 174.8952 30 L 4.8383 7.8427 127.8723 54.6821 42.2909 176.7630 31 T 5.0060 9.2942 116.9627 59.7240 71.3043 173.0758 32 G 4.3197 8.0989 115.9561 45.7136 0.0000 171.6891 33 L 4.0836 7.2618 120.4456 53.9760 42.2753 176.7756 34 S 4.0706 8.1674 114.5118 59.6725 62.5852 173.5430 35 A 3.8490 8.8631 128.9790 52.9502 15.6242 178.7733 36 S 4.1418 7.7186 115.2040 60.9345 63.6940 175.2269 37 G 4.1284 8.3277 109.9912 45.5382 0.0000 175.7243 38 K 3.8544 8.4750 120.9738 59.3669 32.0544 178.9835 39 S 4.1872 7.8885 113.6548 61.4347 62.9939 176.3788 40 T 3.8368 7.7731 119.0936 66.4114 68.2397 176.2764 41 L 4.0465 7.8558 120.1291 57.2055 41.7864 179.1409 42 A 3.9664 8.3334 121.4109 55.0153 18.2696 179.9372 43 V 3.4284 7.6885 116.7484 66.1450 31.6393 177.9884 44 E 3.9410 7.8906 119.2908 58.9478 29.4484 178.5198 45 L 3.9150 8.4106 120.8785 58.0130 42.1448 178.3554 46 E 3.8597 8.0184 119.1616 59.6225 29.6326 177.8519 47 H 4.0535 8.1539 118.0798 59.8805 29.9604 177.0980 48 Q 4.0912 8.6226 119.2785 58.1099 28.5761 178.6472 49 L 4.0545 7.7894 120.5013 57.6244 41.8064 179.3880 50 V 4.2060 8.2457 118.3428 64.9618 31.4319 177.6034 51 R 4.1094 7.5834 117.2697 58.6184 30.3694 177.2762 52 D 4.7988 7.7471 114.8655 54.2875 41.7394 177.2311 53 R 4.4177 7.6780 118.3320 55.4001 31.6817 176.3141 *54 R 3.7912 8.0646 115.5120 57.0590 26.8750 181.4341 55 V 4.4918 7.2624 120.3334 60.5763 34.8348 175.6234 *56 H 4.6779 8.8840 122.7276 55.4317 28.8822 171.1090 57 A 5.3464 8.4293 123.3647 50.0344 22.8957 174.2221 58 Y 4.5827 8.8653 118.3703 56.5709 42.7164 173.1250 59 R 4.7344 6.6440 125.2705 54.3539 32.3636 174.9279 60 L 4.7931 8.6246 126.0656 53.1576 44.9244 175.3732 61 D 3.7550 8.2724 122.7568 52.1261 42.2786 175.8085 62 G 3.7627 8.5536 106.0005 49.0979 0.0000 175.4909 63 D 4.5787 7.7388 118.0058 56.6752 41.1884 177.2930 64 N 4.6270 8.3231 117.4344 55.5045 39.4878 175.6431 65 I 4.5177 7.6838 116.4485 62.2681 40.3493 177.5482 66 R 3.7886 8.0851 120.0527 58.3266 29.9469 177.4031 67 F 4.8895 8.1987 113.4212 56.8022 41.2014 175.2571 68 G 3.7775 8.3129 109.4317 45.4642 0.0000 175.3350 69 L 3.9808 9.4695 120.7613 57.7943 43.1606 177.1857 70 N 5.1619 8.1242 115.5393 52.8096 38.9970 176.5318 71 K 4.6794 7.9652 118.0851 57.8908 33.0835 177.2741 72 D 4.5511 7.9269 118.0623 54.2502 40.1236 176.2015 73 L 4.6535 7.4362 120.4548 53.7563 43.4756 177.0964 74 G 4.1848 9.2084 115.4032 46.4009 0.0000 175.0666 *75 F 4.7345 8.4960 124.0614 56.4325 39.1248 173.6288 76 S 4.4669 7.7419 117.6056 59.1414 64.7066 174.9394 77 E 3.9129 8.6479 122.8356 59.4854 29.3389 179.4605 78 A 4.0792 7.8771 120.1715 54.6098 18.6308 179.0197 79 D 4.3680 7.8780 117.1523 56.8658 41.0113 178.6342 80 R 3.8851 8.3018 119.8585 59.5958 30.0184 178.4077 81 N 4.4683 8.0569 116.1911 56.3219 38.4493 177.1382 82 E 3.9327 8.1121 120.4182 58.9099 29.7821 178.2823 83 N 4.2182 8.5639 117.7572 56.8802 39.0280 176.9928 84 I 3.7632 7.5116 121.2704 64.0627 37.2819 178.3497 85 R 3.8339 8.2482 120.0414 59.6372 29.9740 178.8521 86 R 3.9621 8.2280 117.9750 59.2188 30.0555 178.9497 87 I 3.7056 7.6870 119.1317 64.5700 37.1166 178.2890 88 A 4.4823 8.2481 121.4003 55.3351 18.2034 179.5657 89 E 3.9411 8.1088 116.7081 59.6965 29.6085 179.8433 90 V 3.9025 8.0470 111.6479 63.5279 31.7107 178.5569 91 A 4.2893 8.3274 121.3010 55.0820 18.1704 179.5230 92 K 4.0069 8.4137 118.2559 59.6800 32.2723 179.0039 93 L 3.7165 8.1076 119.2844 57.7801 41.4580 179.6369 94 F 3.8962 8.3070 117.5570 60.3466 38.9958 177.4976 95 A 4.2736 8.6753 120.9056 55.4802 17.9852 179.2624 96 D 4.3717 8.9423 116.7813 57.0680 41.4037 177.8263 97 S 4.2931 7.7782 112.5702 58.7948 63.4195 174.1310 98 N 4.5255 8.1265 119.5754 54.0767 36.0753 173.7559 99 S 5.3317 8.0649 113.6367 56.9426 66.7910 172.1888 100 I 4.7660 8.3760 120.0730 59.6922 38.9075 175.3337 101 A 4.8852 8.7659 129.6707 51.1545 20.7947 176.1293 102 I 4.9097 8.5320 121.5356 59.8607 40.6756 174.8071 103 T 4.7751 8.4907 117.8003 59.7863 71.2267 174.1784 104 S 4.6294 7.2515 116.1305 56.8760 61.1259 172.9642 105 F 4.7651 7.4854 118.7642 55.2882 42.5774 176.4178 106 I 4.0922 9.3145 123.0161 62.8421 37.8192 176.5170 107 S 4.0153 7.9991 112.8949 59.0423 61.9613 169.8313 108 P 4.2781 0.0000 0.0000 66.2013 32.0385 177.1654 109 Y 4.5465 7.6539 116.3105 57.6104 38.2050 176.4066 110 R 4.1098 9.0365 121.1529 57.6402 30.1609 178.4315 111 K 4.1036 7.9132 119.8944 58.6063 32.2168 178.0998 112 D 4.3556 7.7778 119.7804 57.2068 40.8592 178.0302 113 R 3.7847 7.7238 116.1858 56.9596 30.3427 178.0452 114 D 4.0593 7.4043 118.0217 57.4897 40.8360 177.8031 115 T 3.7106 7.5289 115.7923 66.8311 68.2436 176.3215 116 A 3.7343 7.0746 120.9968 54.9364 18.0732 179.3377 117 R 2.0000 7.0190 117.1012 58.9385 29.5365 178.7757 118 Q 3.9389 7.7151 118.1040 58.3473 28.5826 178.0540 119 L 4.0920 7.2477 118.5076 58.2189 40.9003 178.5720 120 H 4.3457 7.8374 117.1414 57.4535 29.7538 175.0484 121 E 4.7395 7.3033 121.0637 52.5614 27.7879 176.1636 122 V 4.8550 7.3411 126.8513 63.4338 34.2149 171.4849 *128 E 4.2027 8.7912 124.2000 55.4409 31.0157 177.9157 129 T 4.5559 8.7801 111.0498 59.7160 71.9254 175.5901 130 G 4.1755 8.1854 107.6481 45.8593 0.0000 172.2971 131 L 4.6817 8.0866 119.1494 52.4186 43.1754 175.6622 132 P 4.3832 0.0000 0.0000 62.9861 32.5748 175.0111 133 F 4.9770 8.9167 125.8210 56.5909 41.6101 174.6179 134 V 4.1053 8.7704 128.7312 61.2548 32.7032 174.2826 135 E 4.6189 9.1838 131.1360 55.5900 30.8632 175.1967 136 V 4.6980 9.1790 128.5182 61.3624 33.8162 173.8787 137 Y 5.1279 9.0544 131.0882 56.9596 39.6727 174.7766 138 V 4.2017 9.1681 129.3902 62.0612 31.8418 174.7271 139 D 4.2027 9.1480 129.8013 52.3964 42.3060 175.2868 140 V 4.1642 7.7697 118.4072 58.2685 35.5517 174.3081 141 P 4.2468 0.0000 0.0000 62.5131 32.0541 178.1935 142 V 3.6382 8.2817 121.6562 64.5928 30.9220 178.2204 143 E 3.9837 7.9888 117.5141 58.5820 29.5079 178.9233 144 V 3.4335 7.5104 119.6901 65.6114 31.5969 177.8016 145 A 3.8416 7.4716 120.2663 55.0125 18.1200 179.0580 146 E 3.3763 7.3557 115.1083 58.2356 29.6233 178.4748 147 Q 4.1259 7.1184 118.6529 58.8430 29.2639 176.6464 148 R 4.0013 7.7003 119.5342 53.8820 31.1652 175.7619 149 D 4.4648 8.2965 115.4453 55.2982 40.1469 173.2731 150 P 4.4931 0.0000 0.0000 64.0591 32.1354 177.6313 151 K 4.4116 7.8842 115.1915 55.2204 33.9590 176.9526 152 G 3.9521 8.2072 106.9918 46.1083 0.0000 175.5048 153 L 3.7236 7.9678 120.7422 58.0412 41.6205 178.8657 154 Y 3.8727 8.3397 118.2757 61.3730 37.5645 179.7757 155 K 3.9705 7.7110 123.2781 59.8164 32.0235 183.0037 156 K 4.1159 8.1440 120.0218 59.0064 31.9781 179.3215 157 A 4.0246 8.0298 121.6043 54.7935 18.0612 179.5677 158 R 4.1228 7.7560 115.2377 58.5022 30.3191 178.4163 159 E 4.1897 7.7580 118.0388 57.2665 29.7032 177.7366 160 G 4.0087 7.6476 104.6945 44.7794 0.0000 174.3228 161 V 3.6595 7.7385 119.2289 65.2861 31.4898 175.6620 162 I 4.4679 7.3789 118.1060 58.7082 39.6666 174.4300 163 K 4.4807 8.6021 128.1949 56.7876 35.0439 176.2901 164 E 4.3682 8.5462 114.2683 56.0192 26.7365 174.2878 165 F 4.5908 8.4959 123.9376 56.6203 41.0254 174.9244 166 T 4.0282 7.6345 124.7990 65.6071 68.4419 174.0707 167 G 4.1579 9.8257 116.4533 45.1628 0.0000 173.2463 168 I 4.5127 7.7650 116.5962 62.5401 39.6233 177.6068 169 S 4.9494 8.2660 114.3896 57.6569 63.8958 172.6848 170 A 4.7355 7.8048 118.0591 51.7959 21.9371 174.6667 171 P 4.8172 0.0000 0.0000 62.3478 33.0408 174.5369 172 Y 4.3594 8.4429 122.9274 56.1137 40.3465 174.9914 173 E 4.1048 7.4861 126.7806 53.9832 29.2064 175.5089 174 A 3.5765 7.9373 126.6262 50.9093 19.0985 175.6037 175 P 4.0678 0.0000 0.0000 62.8642 31.9784 176.6631 176 A 4.1682 8.6086 126.1594 55.0364 18.6625 178.1239 177 N 5.0319 7.6183 112.0179 50.4495 37.8884 172.1148 178 P 4.4151 0.0000 0.0000 63.6582 32.5393 176.4380 179 E 4.0610 8.4239 119.6120 58.8281 30.0283 178.0282 180 V 4.2196 7.5091 118.5482 61.1531 35.0043 173.8533 181 H 4.9859 9.0335 127.6844 54.5622 31.1868 172.6943 182 V 4.0661 8.7493 127.3013 61.2902 32.6472 175.2598 183 K 4.6345 8.6720 128.8696 55.7403 30.7618 176.8154 184 N 4.8497 8.2692 128.4014 50.3074 36.4434 173.2995 185 Y 4.5374 7.9189 116.0993 57.3387 40.4120 173.6422 186 E 3.6735 8.8480 117.9255 56.4983 27.2463 174.9758 187 L 4.2063 7.5753 116.3264 53.4058 45.2762 172.4007 188 P 4.3365 0.0000 0.0000 62.6196 32.0913 177.2832 189 V 3.6037 8.5876 121.2129 66.3649 31.1740 178.2781 190 Q 4.0876 7.9820 116.0786 58.6014 28.8424 177.5501 191 D 4.3927 8.0827 120.8927 56.6611 40.7282 178.2004 192 A 4.1285 7.8686 120.9771 54.6258 18.7008 179.5810 193 V 3.5677 7.5753 117.1827 65.8286 31.4921 178.1792 194 K 4.0338 7.8339 119.7462 59.1263 31.6719 178.5670 195 Q 4.0082 7.8670 119.7224 59.1796 29.0486 178.4678 196 I 3.8861 7.4862 120.7553 64.4712 37.2570 178.4995 197 I 3.9081 7.9935 120.6170 64.2898 36.8606 178.2600 198 D 4.4049 8.6044 120.5040 57.3894 40.3853 178.0979 199 Y 4.0603 7.5935 119.1472 60.4323 39.0509 177.5659 200 L 4.1513 7.9285 119.8061 57.8935 41.6714 179.1707 201 D 4.3626 8.1162 118.7428 57.5257 40.4451 178.9441 202 T 3.7894 7.2381 115.1721 65.4722 67.3401 175.6369 203 K 4.0352 7.3100 118.3935 54.9124 30.9054 177.6269 204 G 3.8375 7.4221 107.6699 46.1520 0.0000 175.4681 205 Y 4.7480 7.1949 119.2453 59.9461 38.0228 176.5874 206 L 4.8588 7.0614 117.3899 51.8224 44.3016 174.4612 207 P 4.4251 0.0000 0.0000 62.4009 32.0859 175.8671 208 A 4.3671 8.3276 124.9589 52.1318 19.7027 178.5559 209 K 4.2346 8.2983 119.5686 54.8390 32.7490 175.4801 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 24 R 7.68 5.12 0.00 1.84 1.96 0.00 3.39 0.00 0.00 4.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 25 G 8.44 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.78 4.65 0.00 1.61 1.45 0.88 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.65 5.15 4.34 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 1.43 0.00 0.00 28 I 8.70 4.60 1.86 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 1.15 1.03 0.90 0.00 0.00 29 W 9.22 4.84 0.00 2.90 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.84 4.84 0.00 1.48 1.52 0.84 1.19 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 31 T 9.29 5.01 4.67 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 1.48 0.00 0.00 32 G 8.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.26 4.08 0.00 1.63 1.63 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.17 4.07 0.00 3.54 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 35 A 8.86 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.72 4.14 0.00 3.95 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 37 G 8.33 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.48 3.85 0.00 1.70 1.77 0.00 1.60 0.00 0.00 1.95 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.45 7.81 39 S 7.89 4.19 0.00 3.91 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 40 T 7.77 3.84 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 1.18 0.00 0.00 41 L 7.86 4.05 0.00 1.78 1.68 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.33 3.97 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 43 V 7.69 3.43 2.23 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 0.94 0.00 0.00 0.92 0.00 0.00 44 E 7.89 3.94 0.00 2.17 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 2.29 2.36 0.00 45 L 8.41 3.92 0.00 1.94 1.77 0.94 0.86 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 46 E 8.02 3.86 0.00 2.14 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 2.30 2.31 0.00 47 H 8.15 4.05 0.00 3.30 3.51 0.00 5.64 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 48 Q 8.62 4.09 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 49 L 7.79 4.05 0.00 1.96 1.72 0.95 0.66 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 50 V 8.25 4.21 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 1.17 0.00 0.00 0.99 0.00 0.00 51 R 7.58 4.11 0.00 2.06 1.76 0.00 3.21 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 52 D 7.75 4.80 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 53 R 7.68 4.42 0.00 1.91 1.92 0.00 3.67 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 *54 R 8.06 3.79 0.00 1.92 1.79 0.00 3.21 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 55 V 7.26 4.49 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 0.76 0.00 0.00 0.97 0.00 0.00 *56 H 8.88 4.68 0.00 2.63 3.00 0.00 7.13 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 57 A 8.43 5.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.87 4.58 0.00 2.83 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 0.00 0.00 0.00 0.00 59 R 6.64 4.73 0.00 1.47 1.30 0.00 3.06 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.38 0.00 60 L 8.62 4.79 0.00 1.62 1.70 1.10 0.90 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 61 D 8.27 3.75 0.00 2.27 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 0.00 0.00 0.00 0.00 62 G 8.55 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 63 D 7.74 4.58 0.00 2.84 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 64 N 8.32 4.63 0.00 3.01 2.93 0.00 0.00 6.97 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 65 I 7.68 4.52 2.26 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 1.45 1.40 0.96 0.00 0.00 66 R 8.09 3.79 0.00 1.89 1.13 0.00 2.99 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.24 0.00 67 F 8.20 4.89 0.00 3.10 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 68 G 8.31 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.47 3.98 0.00 1.67 1.77 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.12 5.16 0.00 2.86 2.72 0.00 0.00 6.84 6.18 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 71 K 7.97 4.68 0.00 1.87 1.98 0.00 1.67 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.37 7.81 72 D 7.93 4.55 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.44 4.65 0.00 1.78 1.60 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.21 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 *75 F 8.50 4.73 0.00 2.28 2.12 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 76 S 7.74 4.47 0.00 3.84 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 77 E 8.65 3.91 0.00 1.94 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 2.24 2.31 0.00 78 A 7.88 4.08 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 79 D 7.88 4.37 0.00 2.72 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.30 3.89 0.00 1.89 2.12 0.00 3.24 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 1.65 1.74 0.00 81 N 8.06 4.47 0.00 2.75 2.80 0.00 0.00 6.71 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 82 E 8.11 3.93 0.00 2.16 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 2.29 2.34 0.00 83 N 8.56 4.22 0.00 2.92 2.95 0.00 0.00 7.16 7.56 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 84 I 7.51 3.76 2.04 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 1.61 0.75 1.10 0.00 0.00 85 R 8.25 3.83 0.00 1.91 2.05 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 86 R 8.23 3.96 0.00 1.88 1.98 0.00 3.43 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 87 I 7.69 3.71 1.97 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.68 0.78 0.00 0.00 88 A 8.25 4.48 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 89 E 8.11 3.94 0.00 2.22 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 2.50 2.50 0.00 90 V 8.05 3.90 2.23 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 1.00 0.00 0.00 1.18 0.00 0.00 91 A 8.33 4.29 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 0.00 0.00 0.00 0.00 0.00 92 K 8.41 4.01 0.00 1.58 1.97 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.38 7.81 93 L 8.11 3.72 0.00 1.86 1.55 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.31 3.90 0.00 3.47 3.20 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 0.00 95 A 8.68 4.27 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.94 4.37 0.00 2.62 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 97 S 7.78 4.29 0.00 3.99 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 98 N 8.13 4.53 0.00 3.00 3.10 0.00 0.00 6.50 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.06 5.33 0.00 4.06 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 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2.09 0.00 3.69 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 2.07 2.13 0.00 109 Y 7.65 4.55 0.00 3.39 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 0.00 110 R 9.04 4.11 0.00 1.93 2.00 0.00 2.71 0.00 0.00 3.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 111 K 7.91 4.10 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 112 D 7.78 4.36 0.00 3.04 2.76 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 0.00 113 R 7.72 3.78 0.00 1.71 1.64 0.00 3.28 0.00 0.00 3.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 114 D 7.40 4.06 0.00 2.80 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 0.00 115 T 7.53 3.71 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 1.13 0.00 0.00 116 A 7.07 3.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 1.56 2.18 0.00 147 Q 7.12 4.13 0.00 1.90 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 148 R 7.70 4.00 0.00 1.92 1.83 0.00 3.42 0.00 0.00 3.13 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 149 D 8.30 4.46 0.00 2.92 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.49 0.00 2.10 2.09 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 151 K 7.88 4.41 0.00 1.73 1.81 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.40 7.81 152 G 8.21 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 0.00 153 L 7.97 3.72 0.00 1.63 1.26 1.06 0.88 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 0.00 154 Y 8.34 3.87 0.00 3.42 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 0.00 155 K 7.71 3.97 0.00 1.81 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 156 K 8.14 4.12 0.00 1.76 1.78 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.40 7.81 157 A 8.03 4.02 0.72 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 0.00 0.00 158 R 7.76 4.12 0.00 1.82 2.01 0.00 3.19 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 159 E 7.76 4.19 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 160 G 7.65 4.01 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 0.00 0.00 0.00 161 V 7.74 3.66 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 0.77 0.00 0.00 0.91 0.00 0.00 162 I 7.38 4.47 1.83 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 1.42 1.10 0.72 0.00 0.00 163 K 8.60 4.48 0.00 1.91 1.79 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.44 7.81 164 E 8.55 4.37 0.00 2.16 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 2.13 1.80 0.00 165 F 8.50 4.59 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 0.00 166 T 7.63 4.03 3.82 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 1.20 0.00 0.00 167 G 9.83 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 0.00 168 I 7.77 4.51 2.11 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.21 1.02 0.00 0.00 169 S 8.27 4.95 0.00 3.88 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 A 7.80 4.74 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 0.00 171 P 0.00 4.82 0.00 1.97 2.05 0.00 3.44 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 2.02 2.13 0.00 172 Y 8.44 4.36 0.00 2.92 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 0.00 173 E 7.49 4.10 0.00 1.84 1.67 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 2.14 2.00 0.00 174 A 7.94 3.58 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.07 0.00 1.89 2.08 0.00 2.24 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.02 0.00 176 A 8.61 4.17 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 0.00 177 N 7.62 5.03 0.00 2.82 2.81 0.00 0.00 6.00 7.75 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 0.00 178 P 0.00 4.42 0.00 2.12 2.27 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 179 E 8.42 4.06 0.00 1.77 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 2.45 2.35 0.00 180 V 7.51 4.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.51 0.00 0.00 181 H 9.03 4.99 0.00 3.25 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.75 4.07 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 0.92 0.00 0.00 0.94 0.00 0.00 183 K 8.67 4.63 0.00 1.70 1.97 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.56 1.45 7.81 184 N 8.27 4.85 0.00 2.72 2.75 0.00 0.00 7.00 8.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 7.92 4.54 0.00 3.06 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 0.00 186 E 8.85 3.67 0.00 1.58 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 0.00 2.05 1.76 0.00 187 L 7.58 4.21 0.00 1.42 1.43 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 4.34 0.00 2.19 2.08 0.00 3.75 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 2.19 2.06 0.00 189 V 8.59 3.60 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 1.07 0.00 0.00 0.92 0.00 0.00 190 Q 7.98 4.09 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 191 D 8.08 4.39 0.00 2.96 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 0.00 192 A 7.87 4.13 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 0.00 193 V 7.58 3.57 2.23 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 1.05 0.00 0.00 0.94 0.00 0.00 194 K 7.83 4.03 0.00 2.05 1.79 0.00 1.59 0.00 0.00 1.59 0.00 0.00 3.25 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 195 Q 7.87 4.01 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 196 I 7.49 3.89 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.03 0.98 0.00 0.00 197 I 7.99 3.91 1.91 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 1.57 0.78 0.94 0.00 0.00 198 D 8.60 4.40 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 0.00 199 Y 7.59 4.06 0.00 3.03 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 0.00 200 L 7.93 4.15 0.00 2.02 1.87 1.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 201 D 8.12 4.36 0.00 2.86 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 0.00 202 T 7.24 3.79 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 0.89 0.00 0.00 203 K 7.31 4.04 0.00 0.79 0.74 0.00 1.41 0.00 0.00 1.25 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.42 0.65 7.81 204 G 7.42 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 0.00 0.00 0.00 205 Y 7.19 4.75 0.00 3.23 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 0.00 206 L 7.06 4.86 0.00 1.69 1.60 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 207 P 0.00 4.43 0.00 2.19 2.07 0.00 3.80 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 2.08 1.98 0.00 208 A 8.33 4.37 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 0.00 209 K 8.30 4.23 0.00 1.74 1.52 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 0.95 7.81 * Residues marked with a * may have inaccurate shift predictions.