NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 116 D 4.5015 8.4645 120.1918 54.1949 42.2645 174.1151 117 R 4.2361 8.3469 117.4566 52.5704 30.2084 170.2675 118 P 4.4555 0.0000 0.0000 61.6654 32.8776 175.6886 119 Q 4.3394 8.3544 121.1631 56.1165 29.9163 175.1935 120 K 4.6929 8.8039 121.7661 53.7319 36.4185 174.2424 121 P 4.3718 0.0000 0.0000 64.0772 31.7063 177.2168 122 F 4.2875 9.1708 120.2524 57.5860 37.5097 176.7034 123 D 4.3338 7.9775 121.2615 57.0726 41.0667 176.2934 124 K 4.6898 7.6266 117.4972 55.3794 35.8255 174.1194 125 F 5.6362 9.2546 126.4902 55.9058 41.9528 174.2091 126 F 5.2262 9.3652 123.6803 56.1862 40.4210 175.0145 127 I 5.5686 8.3118 117.0904 58.5439 40.2510 174.1705 128 D 4.7990 8.2974 121.4617 53.9415 44.8214 172.9498 129 Y 5.1713 8.7804 119.9350 56.5708 39.9563 175.1386 130 I 4.4774 10.3858 125.5112 58.4580 39.4615 175.7889 131 G 4.2341 8.4286 114.7194 43.4215 0.0000 170.0908 132 P 3.6501 0.0000 0.0000 61.8733 32.0634 176.0362 133 L 4.6684 8.0423 121.8669 51.7448 44.9163 174.6738 134 P 4.3431 0.0000 0.0000 62.5907 31.8314 174.8827 135 P 5.0695 0.0000 0.0000 62.4156 32.0211 175.6824 136 S 4.4966 8.4200 116.6385 57.5554 64.6069 173.4688 137 Q 3.3783 9.6922 125.5746 56.8477 26.1281 174.2177 138 G 3.8715 8.3711 102.1881 46.5063 0.0000 173.7400 139 Y 4.7864 8.2897 117.3205 56.3452 40.2103 176.2708 140 L 4.9933 8.7765 117.9469 54.7241 45.5678 175.8510 141 Y 5.2378 9.1641 115.6358 56.0123 42.6806 174.6786 142 V 4.9524 9.2064 121.8009 61.1683 34.5281 174.0740 143 L 4.4532 9.5823 131.1780 54.2863 43.5512 175.1706 144 V 4.7632 9.0515 127.0267 61.1805 33.8228 174.2897 145 V 4.8957 9.0140 128.4075 61.2865 33.9850 174.0714 146 V 4.8810 8.6211 128.4337 61.0364 34.2550 173.9617 147 D 5.0433 9.5893 128.5615 53.9991 41.6798 176.6261 148 G 4.1558 9.4847 114.9637 50.1351 0.0000 174.2961 149 M 4.3744 8.2964 118.7483 57.8265 32.5386 177.1646 150 T 3.9980 8.2508 108.9644 62.4104 69.4151 176.4518 151 G 3.9749 8.7077 108.9555 44.8670 0.0000 172.9730 152 F 4.0158 8.1067 122.8734 58.2556 40.4680 174.0581 153 T 4.9065 8.3407 122.8351 61.4195 71.0225 173.4420 154 W 4.7352 9.7121 126.1638 54.8107 32.3895 174.7564 155 L 5.1613 8.8619 123.1730 53.1693 44.1551 175.5934 156 Y 4.8001 8.9652 121.4768 55.3615 41.2125 173.1501 157 P 5.3790 0.0000 0.0000 62.9554 32.5295 175.5598 158 T 5.1930 9.9800 113.0653 60.3002 72.5145 174.4966 159 K 4.3683 8.7519 119.4289 56.6169 32.9094 176.7508 160 A 4.0381 7.0596 118.5615 50.7263 22.7753 175.2489 161 P 2.9700 0.0000 0.0000 61.3795 30.2942 176.5141 162 S 4.5813 6.8166 114.7202 56.8661 67.2663 174.6978 163 T 3.8507 8.2191 121.0852 67.5084 68.2564 175.7338 164 S 4.0095 8.2738 113.4360 62.1920 62.1917 176.0706 165 A 4.0915 8.2172 122.8720 55.2685 18.1890 179.8236 166 T 3.8101 8.1993 114.7282 66.7525 68.5701 176.9237 167 V 2.9508 8.1465 122.8972 66.3113 31.4164 178.6057 168 K 3.9256 7.9059 123.3542 60.0207 31.3796 180.8973 169 S 4.1373 7.9175 116.4934 61.4702 62.8168 177.0402 170 L 3.8628 8.1914 121.6744 57.3656 40.9893 179.1052 171 N 4.4494 8.4247 116.5786 56.5385 38.7809 176.9360 172 V 3.7278 7.4375 119.3743 66.1811 31.5987 177.7177 173 L 3.9042 7.5115 119.8905 58.1898 41.7072 178.3084 174 T 5.0358 8.1043 107.9761 62.1536 68.9614 176.1419 175 S 4.2776 8.0650 118.5097 60.6973 62.9590 175.1745 176 I 4.0923 7.5171 121.6375 62.5737 37.9252 175.6312 177 A 4.2904 7.2405 120.8523 50.6177 21.8353 174.6714 178 I 4.4323 7.4399 120.4696 58.4904 39.6000 174.4153 179 P 4.3619 0.0000 0.0000 62.0691 32.3324 176.4946 180 K 4.0973 8.6221 119.6183 58.8856 33.2631 177.4684 181 V 4.9389 7.4789 118.3637 61.0070 35.3735 174.3748 182 I 4.9331 8.3144 127.3779 59.7565 39.9395 173.8974 183 H 5.5727 8.9987 126.9756 53.8859 32.5395 173.0715 184 S 5.0869 7.6920 117.5565 57.1839 66.3962 173.2306 185 D 5.2408 8.6090 120.2860 52.0761 41.1905 175.7429 186 Q 4.3605 8.5152 115.6165 56.0842 29.2698 177.0480 187 G 3.6490 8.3024 106.7733 45.3672 0.0000 175.2262 188 A 3.8840 8.6176 123.1453 55.2415 17.9188 180.2487 189 A 3.6914 7.3911 117.7317 54.5559 18.4916 178.8354 190 F 4.3113 7.3957 114.7924 58.9452 39.7752 177.9503 191 T 4.1710 7.9606 108.5544 62.9128 69.5724 175.2777 192 S 4.2777 7.2984 116.7319 58.6192 63.4742 175.7066 193 S 4.2983 8.6451 116.6200 61.5772 62.8205 176.8761 194 T 3.9149 7.9299 119.3288 66.5533 68.3379 176.1030 195 F 4.2498 8.2925 121.8836 61.2957 39.3180 176.6758 196 A 4.2000 8.5174 122.9277 56.1446 18.0553 180.2280 197 E 3.9356 8.5557 116.7422 60.9037 29.5839 180.5255 198 W 4.5242 8.5551 130.1452 60.6500 30.5656 177.9696 199 A 3.5036 8.0774 120.2467 54.6463 17.8127 179.4801 200 K 3.7686 7.6982 118.3401 59.5089 32.0192 178.5999 201 E 3.8085 7.8387 117.9327 59.5566 29.5656 179.0376 202 R 4.0317 6.9177 113.6649 55.2087 30.4032 176.5323 203 G 3.7125 7.4882 106.7761 46.6448 0.0000 173.6879 204 I 4.3492 7.6288 120.8279 59.4393 38.7187 175.7017 205 H 4.4395 8.9071 127.8300 55.9516 31.0323 173.7573 206 L 4.8597 8.0715 124.8880 53.1739 43.6551 175.3994 207 E 4.6378 8.7503 123.7895 54.2734 32.9773 174.2848 208 F 5.4057 8.6453 124.3519 55.3379 42.1038 175.2349 209 S 4.5915 8.5861 118.1090 58.3006 64.1906 174.2179 210 T 4.2458 8.4464 111.4238 60.5199 69.7082 172.6154 211 P 3.9166 0.0000 0.0000 64.4307 31.6369 177.5770 212 Y 3.8839 8.5059 121.2119 59.3319 36.3954 170.2608 *213 H 4.9146 7.6101 116.0987 52.1646 27.9610 177.7339 214 P 4.6631 0.0000 0.0000 62.0995 29.6456 175.2104 215 Q 4.2174 8.1285 118.9892 54.4433 28.8212 175.9874 216 S 4.5161 8.0082 116.6034 54.9201 66.0008 174.1617 217 S 4.2888 7.5953 114.1066 57.7404 63.8156 174.2949 218 G 3.7067 8.6305 114.8056 48.2040 0.0000 175.6204 219 K 3.8280 8.0648 122.1410 59.0558 31.9596 178.8086 220 V 3.4982 7.5046 120.2847 66.3166 31.4639 178.0190 221 E 4.0824 8.3662 121.0194 62.0963 29.3936 181.5282 222 R 4.0770 7.6188 121.5151 61.2346 29.4389 180.3328 223 K 4.0760 7.9740 120.0683 59.6616 32.2018 178.4310 224 N 4.3034 8.9339 118.0193 56.3488 38.7784 176.9850 225 S 4.1211 8.2616 115.1972 61.3611 62.5159 175.4755 226 D 4.3492 8.2258 121.9779 57.6311 40.6026 178.8854 227 I 3.6719 7.7031 122.2835 65.0631 37.1709 178.9594 228 K 3.8330 7.5314 122.6949 59.8922 31.4662 180.8156 229 R 4.0020 7.9710 120.0442 59.3285 29.9446 178.4477 230 L 4.0509 8.5360 120.1793 57.7879 41.8545 179.1037 231 L 3.9626 8.3354 119.5600 58.1309 41.7545 179.3271 232 T 3.8546 7.9579 118.0542 67.4146 68.1246 176.8818 233 K 3.8872 8.1988 124.7558 59.8752 31.7981 180.0749 234 L 4.6013 7.5631 118.0871 55.0223 42.3287 178.7036 235 L 4.1029 8.1102 122.5835 56.9217 42.2746 176.7792 236 V 3.7830 6.9815 118.8294 63.3310 31.7774 175.0848 237 G 4.2687 9.9716 110.2426 45.6905 0.0000 174.3681 238 R 4.7380 7.7657 114.9208 54.2266 29.3029 174.2931 239 P 4.5865 0.0000 0.0000 65.6089 32.0416 177.5469 240 T 4.4585 8.0233 114.4680 62.8906 68.0987 174.9511 241 K 4.6440 7.8930 122.9808 53.9334 32.8078 182.9420 242 W 4.6160 7.9920 118.3273 58.6323 28.7534 176.5095 243 Y 3.4334 7.1048 121.0595 60.9343 38.2221 177.0854 244 D 4.5851 8.1309 117.3452 56.7700 41.2346 177.9369 245 L 4.2752 7.4877 118.8475 56.4447 41.7053 178.6625 246 L 3.9446 7.7087 119.3893 57.4637 41.4507 177.5126 247 P 4.1643 0.0000 0.0000 65.7592 31.3170 178.7075 248 V 3.5919 7.7460 116.3027 65.8803 31.3480 178.0168 249 V 3.4017 7.8961 117.9327 65.9363 31.4567 177.4276 250 Q 3.7159 8.1266 119.5697 59.3891 28.7761 178.5624 251 L 3.8795 8.0210 119.5723 57.7769 41.4364 179.5666 252 A 2.6271 7.3772 119.1985 54.6630 18.4572 179.1439 253 L 3.8324 7.7031 117.7547 58.2618 41.6870 179.7804 254 N 4.1088 7.9517 115.5034 55.0749 38.0260 175.8432 255 N 5.0329 7.3960 116.2990 53.3085 39.8839 174.7436 256 T 4.5267 7.2953 116.8404 61.6084 70.7937 173.6116 257 Y 3.9089 8.8538 124.2959 58.4546 38.2940 176.5094 258 S 4.3340 8.6672 119.9549 57.2099 63.3159 173.1602 259 P 4.3054 0.0000 0.0000 65.4152 31.4691 177.3155 260 V 3.8351 7.5399 117.1949 63.4317 32.2639 175.8525 261 L 3.8474 8.6529 128.1788 54.0519 40.3278 175.1568 262 K 4.1708 7.0903 117.6170 54.6695 29.5779 178.2101 263 Y 5.4010 7.4969 116.3603 56.6043 41.6991 175.9708 264 T 4.2346 8.2035 113.5474 60.1210 69.9255 173.5916 265 P 4.4050 0.0000 0.0000 65.4451 31.2393 178.0467 266 H 4.3421 8.6463 117.1048 59.7387 29.7214 177.1723 267 Q 4.3042 7.9761 120.7911 58.5906 28.3371 178.9713 268 L 3.8231 7.5475 118.5535 57.2959 41.6113 179.1683 269 L 3.6587 7.4566 119.6738 57.5645 42.2371 178.1735 270 F 4.7528 7.9421 116.0813 56.2449 39.4483 176.6287 271 G 4.0757 8.7803 106.8228 45.7123 0.0000 173.0885 272 I 4.5250 7.0478 108.5422 59.4497 40.8272 173.0669 273 D 4.8109 8.3666 120.7311 53.3431 41.6601 177.0665 274 S 4.3661 8.2269 117.2144 58.2972 64.0346 173.4491 275 N 4.8356 8.5070 117.1463 53.2622 38.3568 176.2428 276 T 4.4253 7.4446 109.1866 59.3979 68.7855 171.8445 277 P 4.7762 0.0000 0.0000 62.4968 32.9452 176.5499 278 F 4.3044 8.5357 116.9941 57.9784 39.9190 175.0890 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 116 D 8.46 4.50 0.00 2.66 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 0.00 117 R 8.35 4.24 0.00 1.87 1.70 0.00 3.33 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 118 P 0.00 4.46 0.00 2.17 2.09 0.00 3.73 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 1.99 1.96 0.00 119 Q 8.35 4.34 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 120 K 8.80 4.69 0.00 2.02 1.57 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.52 7.81 121 P 0.00 4.37 0.00 1.20 1.38 0.00 3.55 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 122 F 9.17 4.29 0.00 3.24 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 0.00 123 D 7.98 4.33 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 0.00 124 K 7.63 4.69 0.00 1.70 1.52 0.00 1.53 0.00 0.00 1.22 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.55 1.10 7.81 125 F 9.25 5.64 0.00 2.96 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 0.00 126 F 9.37 5.23 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 8.31 5.57 1.62 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.38 0.89 0.00 0.00 128 D 8.30 4.80 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 8.78 5.17 0.00 2.97 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 0.00 130 I 10.39 4.48 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.65 0.83 0.00 0.00 131 G 8.43 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 3.65 0.00 1.75 1.56 0.00 3.55 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 1.99 2.16 0.00 133 L 8.04 4.67 0.00 1.12 1.06 -0.39 0.58 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 0.00 134 P 0.00 4.34 0.00 2.35 2.11 0.00 3.57 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 135 P 0.00 5.07 0.00 2.10 2.07 0.00 3.75 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 136 S 8.42 4.50 0.00 3.11 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 0.00 137 Q 9.69 3.38 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 138 G 8.37 3.87 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 0.00 0.00 0.00 139 Y 8.29 4.79 0.00 3.13 3.21 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 0.00 140 L 8.78 4.99 0.00 1.77 1.42 1.02 0.85 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 0.00 141 Y 9.16 5.24 0.00 2.96 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 9.21 4.95 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 0.91 0.00 0.00 143 L 9.58 4.45 0.00 1.46 1.75 0.49 0.74 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 0.00 144 V 9.05 4.76 2.18 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 0.88 0.00 0.00 0.94 0.00 0.00 145 V 9.01 4.90 2.34 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 0.66 0.00 0.00 1.00 0.00 0.00 146 V 8.62 4.88 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 1.03 0.00 0.00 0.92 0.00 0.00 147 D 9.59 5.04 0.00 3.19 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 0.00 148 G 9.48 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 0.00 149 M 8.30 4.37 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 150 T 8.25 4.00 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 1.07 0.00 0.00 151 G 8.71 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.11 4.02 0.00 2.96 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 T 8.34 4.91 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 1.06 0.00 0.00 154 W 9.71 4.74 0.00 3.42 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.86 5.16 0.00 1.42 1.49 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 8.97 4.80 0.00 2.94 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 0.00 157 P 0.00 5.38 0.00 1.87 2.06 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 158 T 9.98 5.19 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 159 K 8.75 4.37 0.00 1.71 1.84 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.03 1.03 7.81 160 A 7.06 4.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 2.97 0.00 1.36 0.79 0.00 3.11 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 1.40 1.05 0.00 162 S 6.82 4.58 0.00 3.91 3.80 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 0.00 163 T 8.22 3.85 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 1.36 0.00 0.00 164 S 8.27 4.01 0.00 3.87 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 0.00 165 A 8.22 4.09 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 0.00 166 T 8.20 3.81 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 167 V 8.15 2.95 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 0.82 0.00 0.00 0.74 0.00 0.00 168 K 7.91 3.93 0.00 1.82 1.82 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.37 7.81 169 S 7.92 4.14 0.00 3.97 3.51 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 0.00 170 L 8.19 3.86 0.00 1.20 1.72 0.87 0.59 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 0.00 171 N 8.42 4.45 0.00 2.89 2.98 0.00 0.00 6.94 7.70 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 0.00 172 V 7.44 3.73 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 1.25 0.00 0.00 1.02 0.00 0.00 173 L 7.51 3.90 0.00 1.51 1.62 -0.33 0.67 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 0.00 174 T 8.10 5.04 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 1.37 0.00 0.00 175 S 8.06 4.28 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 I 7.52 4.09 2.02 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 1.38 0.48 1.04 0.00 0.00 177 A 7.24 4.29 0.33 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 0.00 178 I 7.44 4.43 1.63 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.66 0.00 0.00 179 P 0.00 4.36 0.00 1.90 0.49 0.00 3.46 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.40 0.00 180 K 8.62 4.10 0.00 1.83 1.82 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.31 7.81 181 V 7.48 4.94 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 0.85 0.00 0.00 0.90 0.00 0.00 182 I 8.31 4.93 1.88 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 0.93 0.00 0.00 183 H 9.00 5.57 0.00 2.96 2.62 0.00 5.86 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 S 7.69 5.09 0.00 3.20 3.28 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 0.00 185 D 8.61 5.24 0.00 2.86 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Q 8.52 4.36 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 187 G 8.30 3.65 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 0.00 0.00 0.00 188 A 8.62 3.88 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 0.00 189 A 7.39 3.69 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 F 7.40 4.31 0.00 3.20 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 0.00 191 T 7.96 4.17 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 1.05 0.00 0.00 192 S 7.30 4.28 0.00 4.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 S 8.65 4.30 0.00 4.11 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 0.00 194 T 7.93 3.91 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 1.29 0.00 0.00 195 F 8.29 4.25 0.00 3.29 3.33 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 0.00 196 A 8.52 4.20 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.56 3.94 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 2.24 2.18 0.00 198 W 8.56 4.52 0.00 3.38 3.25 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 0.00 199 A 8.08 3.50 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 0.00 200 K 7.70 3.77 0.00 1.74 1.87 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 201 E 7.84 3.81 0.00 1.89 1.78 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 2.26 2.28 0.00 202 R 6.92 4.03 0.00 1.13 1.51 0.00 2.45 0.00 0.00 2.80 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.51 0.00 203 G 7.49 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 0.00 204 I 7.63 4.35 1.66 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.34 0.87 0.00 0.00 205 H 8.91 4.44 0.00 3.17 3.11 0.00 5.57 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 8.07 4.86 0.00 1.52 1.22 1.17 0.87 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 216 S 8.01 4.52 0.00 3.01 3.64 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 0.00 217 S 7.60 4.29 0.00 3.90 3.51 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 0.00 218 G 8.63 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 0.00 219 K 8.06 3.83 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.50 7.81 220 V 7.50 3.50 1.64 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 0.55 0.00 0.00 0.71 0.00 0.00 221 E 8.37 4.08 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 2.25 2.22 0.00 222 R 7.62 4.08 0.00 1.76 1.97 0.00 3.26 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 223 K 7.97 4.08 0.00 1.81 1.89 0.00 1.36 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.41 7.81 224 N 8.93 4.30 0.00 2.90 2.80 0.00 0.00 6.87 7.51 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 0.00 225 S 8.26 4.12 0.00 3.88 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 0.00 226 D 8.23 4.35 0.00 2.79 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 0.00 227 I 7.70 3.67 1.95 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 1.28 0.60 0.85 0.00 0.00 228 K 7.53 3.83 0.00 1.81 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 229 R 7.97 4.00 0.00 1.84 2.02 0.00 3.05 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 230 L 8.54 4.05 0.00 1.80 1.76 0.88 0.77 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 0.00 231 L 8.34 3.96 0.00 1.81 1.56 0.79 0.63 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 0.00 232 T 7.96 3.85 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 233 K 8.20 3.89 0.00 1.81 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.37 7.81 234 L 7.56 4.60 0.00 1.59 1.76 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 235 L 8.11 4.10 0.00 1.84 1.79 0.64 1.08 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 0.00 236 V 6.98 3.78 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 0.75 0.00 0.00 0.94 0.00 0.00 237 G 9.97 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 R 7.77 4.74 0.00 2.02 2.06 0.00 2.83 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 239 P 0.00 4.59 0.00 2.27 2.27 0.00 3.80 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 1.99 0.00 240 T 8.02 4.46 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 1.25 0.00 0.00 241 K 7.89 4.64 0.00 1.79 1.60 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.20 7.81 242 W 7.99 4.62 0.00 3.62 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 Y 7.10 3.43 0.00 2.29 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 0.00 244 D 8.13 4.59 0.00 2.72 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 0.00 245 L 7.49 4.28 0.00 2.04 1.76 0.98 0.54 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 0.00 246 L 7.71 3.94 0.00 1.63 1.61 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 247 P 0.00 4.16 0.00 2.14 2.09 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 248 V 7.75 3.59 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 1.11 0.00 0.00 0.96 0.00 0.00 249 V 7.90 3.40 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 0.93 0.00 0.00 0.99 0.00 0.00 250 Q 8.13 3.72 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 251 L 8.02 3.88 0.00 1.99 1.78 0.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 252 A 7.38 2.63 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 L 7.70 3.83 0.00 1.54 1.49 0.75 0.50 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 0.00 254 N 7.95 4.11 0.00 2.35 2.31 0.00 0.00 7.01 6.54 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 0.00 255 N 7.40 5.03 0.00 2.84 2.93 0.00 0.00 6.87 8.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 256 T 7.30 4.53 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 1.18 0.00 0.00 257 Y 8.85 3.91 0.00 2.90 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 0.00 258 S 8.67 4.33 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 0.00 259 P 0.00 4.31 0.00 2.07 2.10 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 260 V 7.54 3.84 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 1.00 0.00 0.00 0.93 0.00 0.00 261 L 8.65 3.85 0.00 1.90 2.07 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 262 K 7.09 4.17 0.00 1.82 1.69 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.22 7.81 263 Y 7.50 5.40 0.00 2.99 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 0.00 264 T 8.20 4.23 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 0.53 0.00 0.00 265 P 0.00 4.40 0.00 2.21 2.32 0.00 3.97 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 1.97 1.96 0.00 266 H 8.65 4.34 0.00 3.46 3.38 0.00 5.59 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 0.00 267 Q 7.98 4.30 0.00 2.30 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 268 L 7.55 3.82 0.00 1.72 1.64 0.97 0.93 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 0.00 269 L 7.46 3.66 0.00 1.14 0.69 0.41 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 270 F 7.94 4.75 0.00 3.08 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 0.00 271 G 8.78 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 272 I 7.05 4.52 1.91 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 1.34 0.63 0.94 0.00 0.00 273 D 8.37 4.81 0.00 2.72 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 0.00 274 S 8.23 4.37 0.00 3.80 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.51 4.84 0.00 2.71 2.85 0.00 0.00 6.69 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 0.00 276 T 7.44 4.43 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 1.21 0.00 0.00 277 P 0.00 4.78 0.00 2.10 2.12 0.00 3.55 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 278 F 8.54 4.30 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.