NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4071 8.3193 115.2899 58.5298 63.5882 172.3289 11 Q 4.0410 8.5689 116.8127 58.4903 29.4526 174.8887 12 D 4.5218 7.9538 120.1711 52.5952 43.4413 177.9384 13 L 3.9124 8.6213 126.1250 58.5242 42.2019 179.3726 14 S 4.0614 8.3797 113.9203 61.5649 62.7307 176.1459 15 E 3.9812 8.0206 122.0506 58.8042 29.5327 178.3476 16 A 4.0402 8.4284 121.3328 54.8391 18.2707 179.7599 17 L 3.8078 8.1872 118.0769 57.8751 41.5948 179.4730 18 K 4.0652 7.9308 119.3132 59.6263 31.8754 178.4004 19 E 3.8966 8.0915 118.5159 58.9174 29.6944 178.0760 20 A 4.2159 8.0055 119.4563 53.5980 18.8528 178.3442 21 T 4.1826 7.5257 106.7093 60.9679 69.4071 176.1579 22 K 3.7590 7.4137 122.3544 60.0530 32.1654 178.1091 23 E 3.9168 7.9952 118.2373 59.6141 29.6870 179.1577 24 V 3.6299 7.6094 111.7911 64.5861 31.4833 177.9608 25 H 4.0889 8.1310 118.3821 59.2112 29.1669 177.4402 26 I 4.2127 7.3867 123.2264 63.9380 36.7643 178.6642 27 R 3.9965 7.9970 118.8450 59.0669 29.6451 178.9530 28 A 4.2039 8.1381 120.5260 54.7746 18.6590 178.7318 29 E 4.2056 8.5375 114.3844 57.4971 29.9609 177.3888 30 N 4.8687 7.4735 115.7152 52.2031 40.0752 175.0437 31 S 4.2939 7.1089 115.5344 58.2096 63.8066 173.9424 32 E 4.0063 9.1041 122.9551 59.8877 29.4439 179.1089 33 F 3.9039 8.4320 116.8030 59.7916 39.7421 176.1999 *35 R 4.2276 8.0540 120.0770 56.5179 31.5908 177.2456 36 N 4.3108 8.1628 115.1773 56.0764 38.4016 177.0888 37 F 3.9412 8.1262 122.1033 61.5969 39.2442 177.3024 38 Q 4.0724 8.0916 115.6397 58.8653 28.5682 178.5201 39 K 4.1863 7.5737 119.2542 58.1342 32.1549 177.9332 40 G 4.0637 7.6406 104.9273 45.4489 0.0000 174.4243 41 Q 4.2306 7.9419 123.3136 54.4327 27.4411 174.9881 42 V 4.0602 7.1263 118.2055 59.1479 34.3882 176.8398 43 S 4.7300 8.0221 117.9852 56.5712 66.5873 175.4817 44 R 3.9253 8.3293 121.1499 59.6833 29.9565 179.2724 45 E 4.0990 8.2383 117.9438 59.0662 29.4647 179.6041 46 G 3.7211 7.9754 105.7081 47.8699 0.0000 175.6288 47 F 4.0315 8.3238 123.7083 60.8151 39.3279 177.3418 48 K 3.5999 7.8798 118.1290 58.9812 31.6414 179.1990 49 L 3.9709 7.6380 120.2113 58.3381 42.0959 179.4865 50 V 3.5422 7.6558 112.3978 64.5527 31.3438 178.7441 51 T 3.5999 7.6255 115.3180 66.3430 68.0924 176.5297 52 A 3.8720 7.8936 122.6183 55.2077 18.4270 179.8794 53 S 4.1273 8.2495 113.7604 61.9379 63.0069 176.8319 54 L 3.8369 8.4149 121.8774 57.8772 41.4098 178.8779 55 Y 4.0312 8.0470 119.5868 61.2469 38.6056 178.2067 56 H 3.7291 7.7053 116.6992 58.6764 28.7282 177.9910 57 I 3.2704 7.5020 121.5668 64.4904 36.7929 178.1534 58 Y 3.8869 8.1702 117.5539 60.6814 37.7523 178.4239 59 T 3.7144 7.4751 116.7124 66.3040 68.5084 176.5778 60 A 3.8349 7.5134 122.2890 54.9174 18.4210 179.3036 61 L 3.7346 7.6560 118.7916 58.5372 42.2127 179.1296 62 E 4.1014 8.4384 117.9530 58.6796 29.4177 178.8266 63 E 4.0261 7.9569 119.6910 59.0689 29.8065 178.3796 64 E 4.0575 8.0762 118.5369 58.8010 29.4763 179.3229 65 I 3.3387 7.7281 120.2067 64.4609 37.0577 178.0080 66 E 3.9826 7.9601 117.9714 59.7189 29.3469 179.3359 67 R 4.0783 7.6716 117.2838 58.4551 30.4801 176.9068 68 N 4.9721 7.7070 114.9273 52.6177 39.1062 176.7503 69 K 3.9017 8.0072 120.8810 59.3952 32.5456 177.9867 70 Q 4.3411 7.7157 115.7409 55.4955 29.4415 174.8893 71 N 4.5550 7.8556 118.8187 52.3382 39.2901 173.9097 72 P 3.9032 0.0000 0.0000 65.8357 31.5915 178.6353 73 V 3.5800 7.5867 108.7093 63.2241 31.8437 176.2387 74 Y 4.4609 7.4496 118.4654 58.3699 41.2916 177.4105 75 A 4.1728 9.0821 123.5236 55.0806 18.5924 177.8139 76 P 4.1050 0.0000 0.0000 65.0142 31.4118 177.1588 77 L 4.0206 7.3506 116.4086 54.1990 41.6106 175.9509 78 Y 4.5067 7.2884 121.0439 57.6629 38.4030 175.5278 79 F 4.7811 8.1855 127.3659 54.6928 39.9089 173.7462 80 P 3.4574 0.0000 0.0000 65.5820 31.6918 179.7680 81 E 3.9527 7.9370 117.7267 58.5781 29.6686 178.3187 82 E 4.0689 8.1866 117.2357 58.3807 29.9566 177.3510 83 L 4.5080 7.7128 116.8408 56.1425 43.2002 177.1184 84 H 4.3616 7.5570 114.0923 57.1591 29.0654 175.6912 85 R 4.1011 9.7609 122.7405 56.6397 30.7022 178.5536 86 R 3.8709 8.0178 119.1414 59.5948 29.9599 178.0349 87 A 3.9824 7.9877 119.2634 55.2663 18.5268 179.2575 88 A 3.8774 7.8358 118.7219 55.2954 18.3702 179.7137 89 L 3.8544 8.0867 117.7397 57.7862 41.6593 179.5213 90 E 3.0583 8.0588 118.6202 59.1657 29.2775 179.3625 91 Q 3.9785 7.9779 118.0289 59.0351 28.6864 178.7112 92 D 4.4862 7.9878 119.8174 57.5008 40.9213 178.8773 93 L 4.1174 8.0480 119.6543 57.6364 41.3954 179.4601 94 A 4.4877 7.7384 120.8639 54.8269 18.0267 179.5996 95 F 4.0087 7.7847 118.4497 61.4117 39.6271 177.2452 96 W 4.1699 8.5670 117.2920 58.8974 29.0887 177.3348 97 Y 4.6381 9.0013 114.4868 56.9650 39.0517 176.3448 98 G 3.9979 8.2519 106.9363 43.7552 0.0000 172.1431 99 P 4.3086 0.0000 0.0000 65.7431 31.3560 177.1277 100 H 4.8499 7.8097 114.2577 55.0153 29.6252 177.2185 101 W 4.3403 7.9673 119.6234 59.7704 28.0084 178.1158 102 Q 3.8280 6.8074 116.6442 58.2512 28.0400 177.2945 103 E 4.2297 7.8816 114.9342 56.7565 30.1274 176.6392 104 A 4.5955 7.5969 120.5753 52.8430 20.8330 177.5034 105 I 3.3998 7.8183 109.2742 60.1096 38.0531 174.2436 106 P 4.6883 0.0000 0.0000 62.7921 32.3545 175.6761 107 Y 4.9142 8.0723 120.0600 54.5477 38.8520 175.3408 108 T 4.0566 8.0704 115.2203 60.9079 70.9949 173.2207 109 P 4.0922 0.0000 0.0000 65.5590 31.3913 178.9713 110 A 4.0553 8.5968 119.9827 55.3398 18.2604 179.8680 111 T 3.9345 8.1333 114.5579 66.8343 68.5122 177.0699 112 Q 3.8783 7.8748 120.1397 58.7776 28.5948 178.2694 113 H 4.2218 8.1385 119.5774 59.3107 29.9716 176.5185 114 Y 4.0134 8.1164 121.4423 60.9165 38.6660 178.4129 115 V 3.5207 7.9991 119.0126 65.7166 31.6051 177.8292 116 K 3.9465 8.0422 119.4819 59.4465 31.9660 178.7386 117 R 3.9866 7.9985 118.8465 59.4799 29.9536 178.1537 118 L 3.7828 7.7572 118.7367 58.5146 41.6562 179.4848 119 H 4.4104 8.0793 115.3243 58.5161 28.5711 177.8408 120 E 3.9932 7.9442 120.4540 59.1656 29.2615 179.4230 121 V 3.7289 8.1294 118.6577 66.0868 31.4760 178.3181 122 G 4.0905 7.6258 105.8042 47.0645 0.0000 175.2392 123 G 3.8636 8.0494 106.8518 46.0553 0.0000 174.5766 124 T 4.4962 8.0468 108.1528 61.4081 71.2846 173.7352 125 H 5.2846 8.3876 118.3471 51.9888 29.4150 172.7467 126 P 4.5109 0.0000 0.0000 65.6995 31.1227 177.6787 127 E 4.2203 8.2786 116.4757 58.2073 29.7985 177.6333 128 L 4.5924 8.2165 119.6418 54.8363 42.1806 177.7886 129 L 4.0313 7.7466 121.6270 58.4470 41.8835 178.9570 130 V 3.9751 8.2740 111.5189 64.7281 31.4587 178.1458 131 A 4.1376 8.1544 120.2126 55.6956 18.3421 179.4476 132 H 4.2452 8.3422 113.9401 58.6681 28.9222 177.7758 133 A 4.0856 8.5235 122.8523 55.2703 18.4214 178.7658 134 Y 4.2393 8.7458 118.4535 61.4272 38.6694 178.3224 135 T 3.4257 8.1362 116.3145 66.7662 68.5702 176.6647 136 R 3.6725 7.6216 118.9447 59.2969 30.3712 178.6039 137 Y 4.5178 7.9602 116.6087 61.3991 37.7572 178.9126 138 L 4.0473 7.5912 118.2697 57.4516 41.8744 179.6179 139 G 3.7120 7.5047 106.0132 47.9189 0.0000 175.5697 140 D 4.6421 8.3757 121.5010 56.8011 40.6023 177.9007 141 L 4.3509 7.3954 116.4009 53.5408 42.0723 176.6780 142 S 4.4724 8.6187 113.4330 58.4598 64.0414 176.1300 143 G 3.8246 9.3315 117.8127 48.2508 0.0000 175.0152 144 G 3.9145 8.0042 108.8981 47.5028 0.0000 175.6624 145 Q 4.0644 8.1685 120.0361 57.9118 28.5037 178.9508 146 V 3.5498 7.3954 119.3140 65.8374 31.7539 177.8208 147 L 3.5971 7.7923 118.9514 57.3713 41.2569 178.9080 148 K 3.5180 7.5458 119.7441 59.6833 32.1054 178.6699 149 K 3.9448 7.5412 118.7216 60.0472 32.3220 179.1809 150 I 3.8006 7.4355 120.7695 64.1555 37.1135 178.1989 151 A 3.9685 8.9482 122.8400 55.2157 18.1814 179.4125 152 Q 3.8970 8.1784 118.0541 58.9387 29.0550 178.6955 153 K 3.9606 7.6807 117.7774 59.1640 32.2710 179.0665 154 A 4.0234 7.9906 119.6253 54.4490 18.3192 178.6383 155 L 4.3804 7.8081 114.0527 53.0850 43.4450 176.4239 156 A 3.7000 7.4373 121.1647 53.0682 16.2513 176.4923 157 L 4.4905 7.7337 120.9423 52.0937 43.8852 175.9945 158 P 4.4414 0.0000 0.0000 62.5727 31.8147 178.1504 159 S 4.2735 8.4884 115.4984 61.0314 63.4989 175.6598 160 S 4.0902 8.1319 115.3496 61.9197 62.6734 174.7889 161 G 3.8918 7.7217 105.1692 44.6655 0.0000 173.4830 162 E 3.7939 7.2278 119.6883 57.7614 29.7603 176.8592 163 G 3.8887 8.5493 110.8164 45.1361 0.0000 174.1144 164 L 5.0485 7.7330 118.2294 54.4140 42.6491 178.2698 165 A 3.9876 8.3928 125.4073 55.2269 18.3318 180.6269 166 S 3.9787 8.3626 109.2675 60.1478 63.2329 174.9308 167 F 4.8001 7.9035 118.5195 57.6735 39.2530 175.3924 168 T 4.6993 7.3894 118.2849 61.8244 70.2701 174.8521 169 F 4.5785 8.5046 125.4493 54.3355 38.7791 173.9846 170 P 4.3385 0.0000 0.0000 64.9225 31.4317 178.2018 171 S 4.6022 7.9629 113.5237 58.0290 62.8783 173.8217 172 I 4.3790 7.5776 121.3685 59.3753 38.8363 175.0176 173 D 4.3107 8.9403 125.4795 56.4594 41.5361 176.4044 174 N 4.8449 7.8523 119.5607 50.5588 41.0999 172.3064 175 P 4.1755 0.0000 0.0000 66.1669 31.6631 178.4340 176 T 3.8694 7.9999 113.7164 66.6207 68.3387 176.2755 177 K 4.0596 9.3117 122.1176 59.5633 32.3269 178.5164 178 F 3.8223 8.2367 120.8809 61.1305 39.2458 177.1130 179 K 3.9950 8.5599 118.6959 59.5859 31.8710 179.2191 180 Q 4.0907 7.9494 117.5106 59.2862 28.3554 178.4804 181 L 3.8226 7.7407 122.2456 57.8915 41.8410 178.3367 182 Y 3.8294 7.8533 118.9473 60.6912 38.8090 177.8253 183 R 4.1683 8.5210 118.1818 59.2104 30.2247 178.5553 184 A 4.1754 7.8963 119.8658 54.8955 18.7597 180.5057 185 R 4.0418 7.7475 117.0862 56.2221 30.0709 178.0206 *187 N 4.6606 8.0624 114.4631 53.1515 40.4223 175.3932 188 T 4.2829 7.6231 114.8591 64.3805 69.4863 175.6308 189 L 3.9130 7.7281 121.0492 54.6905 42.0701 176.2427 190 E 4.3948 8.5733 123.8875 54.8131 29.4157 175.0482 191 L 4.8894 8.0086 125.5267 52.1324 45.7259 177.5115 192 T 4.1828 8.1733 111.7924 61.0207 71.1080 173.9564 193 P 4.2123 0.0000 0.0000 65.5181 31.2750 178.7679 194 E 3.9335 8.0748 118.0244 59.2939 29.6815 178.8070 195 V 3.6176 7.9207 118.3583 65.8124 31.6578 177.7666 196 K 3.8814 8.3997 119.8007 59.7697 31.9468 178.2834 197 H 4.2122 8.0716 118.0855 59.2881 29.7477 177.5018 198 R 3.8817 7.9838 119.9878 58.9807 29.8427 179.1899 199 V 3.5813 7.9817 118.4523 66.3336 31.5843 178.2798 200 T 3.8850 7.7127 108.9841 64.7607 68.4676 175.9939 201 E 3.9099 8.0952 122.2318 58.9805 29.6369 178.4131 202 E 3.9508 8.4360 119.4829 59.0093 29.6972 178.5765 203 A 4.2280 8.0907 121.0298 55.0651 18.4382 179.8187 204 K 4.1128 7.9563 116.7460 59.9624 32.1367 179.6875 205 T 3.8690 7.9443 115.8803 66.4502 68.1776 176.5106 206 A 3.7473 8.3760 123.0980 55.1930 18.4181 179.7525 207 F 3.8975 8.4308 116.2816 60.5721 38.8757 177.9602 208 L 4.0843 8.1351 118.7272 57.7931 40.9212 179.5708 209 L 3.7496 7.8435 118.9198 57.4476 41.3357 179.4035 210 N 4.0836 7.5213 116.4259 56.0332 38.5392 177.4306 211 I 3.9292 8.2567 121.7563 64.5158 37.3611 178.2367 212 E 4.4968 8.3220 118.9434 57.8532 29.4052 178.8366 213 L 3.8302 7.2410 121.5904 58.2182 42.0919 178.7215 214 F 4.3107 7.7894 117.7370 60.6501 38.7068 177.5622 215 E 4.0687 8.5341 118.3647 59.3069 29.2081 179.0908 216 E 3.9693 8.1277 119.4402 59.1715 29.7389 178.8300 217 L 3.9703 8.2490 119.5117 57.8356 41.6623 179.2679 218 Q 4.1664 8.5724 119.6654 58.9340 28.7223 178.2070 219 A 3.9866 7.5876 120.7385 55.3009 18.6058 179.0996 220 L 4.0935 7.6893 115.9787 58.1377 41.7443 179.6722 221 L 4.3049 7.8609 118.2202 57.1695 42.9583 179.3351 222 T 4.3695 7.5896 110.1314 61.0780 65.0757 174.1969 223 E 4.2917 7.8474 127.1510 57.7612 30.5483 175.3463 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 10 S 8.32 4.41 0.00 4.04 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 11 Q 8.57 4.04 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 12 D 7.95 4.52 0.00 2.71 2.79 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 13 L 8.62 3.91 0.00 1.72 1.65 0.87 0.87 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 14 S 8.38 4.06 0.00 4.15 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 15 E 8.02 3.98 0.00 2.06 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 2.38 2.38 0.00 16 A 8.43 4.04 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 17 L 8.19 3.81 0.00 1.65 1.20 0.22 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.93 4.07 0.00 2.05 1.85 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 19 E 8.09 3.90 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 2.31 2.32 0.00 20 A 8.01 4.22 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 21 T 7.53 4.18 3.47 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 1.46 0.00 0.00 22 K 7.41 3.76 0.00 1.90 1.90 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.64 7.81 23 E 8.00 3.92 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 2.35 2.39 0.00 24 V 7.61 3.63 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 0.72 0.00 0.00 0.48 0.00 0.00 25 H 8.13 4.09 0.00 2.93 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.39 4.21 2.06 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 1.70 2.11 0.93 0.00 0.00 27 R 8.00 4.00 0.00 2.09 2.02 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 28 A 8.14 4.20 1.59 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 29 E 8.54 4.21 0.00 2.19 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 0.00 2.50 2.36 0.00 30 N 7.47 4.87 0.00 2.82 2.90 0.00 0.00 6.93 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 31 S 7.11 4.29 0.00 4.09 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 32 E 9.10 4.01 0.00 2.10 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 0.00 2.44 2.38 0.00 33 F 8.43 3.90 0.00 3.23 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 *35 R 8.05 4.23 0.00 2.16 2.10 0.00 3.24 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 36 N 8.16 4.31 0.00 2.80 2.91 0.00 0.00 6.72 7.73 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 37 F 8.13 3.94 0.00 2.95 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 38 Q 8.09 4.07 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 39 K 7.57 4.19 0.00 1.83 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 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0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.00 3.52 2.38 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 1.01 0.00 0.00 1.00 0.00 0.00 116 K 8.04 3.95 0.00 2.04 2.00 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.47 7.81 117 R 8.00 3.99 0.00 1.87 2.01 0.00 3.30 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 1.58 1.69 0.00 118 L 7.76 3.78 0.00 1.83 1.51 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.08 4.41 0.00 3.33 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 7.94 3.99 0.00 2.13 2.01 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 2.34 2.60 0.00 121 V 8.13 3.73 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 1.18 0.00 0.00 0.97 0.00 0.00 122 G 7.63 4.09 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 0.00 0.00 0.00 123 G 8.05 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 0.00 124 T 8.05 4.50 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 125 H 8.39 5.28 0.00 3.18 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.78 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 2.28 2.32 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 127 E 8.28 4.22 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 128 L 8.22 4.59 0.00 1.79 1.78 0.88 0.40 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 0.00 129 L 7.75 4.03 0.00 1.94 1.77 0.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.27 3.98 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 1.07 0.00 0.00 131 A 8.15 4.14 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 0.00 0.00 0.00 0.00 0.00 132 H 8.34 4.25 0.00 3.45 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.52 4.09 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 0.00 0.00 0.00 0.00 0.00 134 Y 8.75 4.24 0.00 3.33 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.14 3.43 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 136 R 7.62 3.67 0.00 1.38 1.68 0.00 3.13 0.00 0.00 2.86 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.11 0.00 137 Y 7.96 4.52 0.00 3.00 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 0.00 138 L 7.59 4.05 0.00 1.53 1.57 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.50 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 0.00 140 D 8.38 4.64 0.00 3.08 3.15 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 0.00 141 L 7.40 4.35 0.00 1.62 1.50 0.59 -0.46 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 0.00 142 S 8.62 4.47 0.00 3.85 3.56 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 0.00 143 G 9.33 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 0.00 0.00 0.00 144 G 8.00 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 0.00 145 Q 8.17 4.06 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 146 V 7.40 3.55 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 1.00 0.00 0.00 0.95 0.00 0.00 147 L 7.79 3.60 0.00 1.07 0.73 0.24 0.32 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 0.00 148 K 7.55 3.52 0.00 1.61 1.83 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.51 7.81 149 K 7.54 3.94 0.00 2.09 2.02 0.00 1.23 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.69 7.81 150 I 7.44 3.80 2.09 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 1.45 0.68 1.06 0.00 0.00 151 A 8.95 3.97 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 0.00 152 Q 8.18 3.90 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 153 K 7.68 3.96 0.00 1.86 1.81 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.58 7.81 154 A 7.99 4.02 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 0.00 155 L 7.81 4.38 0.00 1.74 1.81 0.57 0.69 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 0.00 156 A 7.44 3.70 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 0.00 157 L 7.73 4.49 0.00 1.62 1.52 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.44 0.00 2.08 1.93 0.00 3.58 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 2.09 2.08 0.00 159 S 8.49 4.27 0.00 3.95 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 0.00 160 S 8.13 4.09 0.00 3.95 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 0.00 161 G 7.72 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 0.00 162 E 7.23 3.79 0.00 1.47 1.12 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 2.19 2.12 0.00 163 G 8.55 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 0.00 164 L 7.73 5.05 0.00 1.80 1.91 0.94 0.89 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 0.00 165 A 8.39 3.99 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 0.00 166 S 8.36 3.98 0.00 3.58 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 0.00 167 F 7.90 4.80 0.00 3.36 3.14 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 0.00 168 T 7.39 4.70 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 0.00 169 F 8.50 4.58 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 P 0.00 4.34 0.00 2.15 2.17 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 171 S 7.96 4.60 0.00 3.83 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 0.00 172 I 7.58 4.38 1.76 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.37 0.76 0.00 0.00 173 D 8.94 4.31 0.00 2.63 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 0.00 174 N 7.85 4.84 0.00 2.75 2.65 0.00 0.00 7.11 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.18 0.00 2.14 1.96 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 176 T 8.00 3.87 4.42 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 1.21 0.00 0.00 177 K 9.31 4.06 0.00 1.99 1.97 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 178 F 8.24 3.82 0.00 3.13 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 0.00 179 K 8.56 3.99 0.00 2.07 1.89 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 180 Q 7.95 4.09 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.28 0.00 181 L 7.74 3.82 0.00 1.62 1.46 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 7.85 3.83 0.00 2.71 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 0.00 183 R 8.52 4.17 0.00 1.98 2.04 0.00 3.29 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 184 A 7.90 4.18 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 0.00 185 R 7.75 4.04 0.00 1.79 1.86 0.00 3.24 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 *187 N 8.06 4.66 0.00 2.84 2.89 0.00 0.00 7.11 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 0.00 188 T 7.62 4.28 4.35 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 1.16 0.00 0.00 189 L 7.73 3.91 0.00 1.61 1.59 0.90 0.83 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 0.00 190 E 8.57 4.39 0.00 1.91 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 2.23 2.31 0.00 191 L 8.01 4.89 0.00 1.60 1.50 0.95 0.96 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 0.00 192 T 8.17 4.18 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 1.22 0.00 0.00 193 P 0.00 4.21 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 194 E 8.07 3.93 0.00 2.00 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 0.00 2.40 2.31 0.00 195 V 7.92 3.62 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 0.96 0.00 0.00 0.95 0.00 0.00 196 K 8.40 3.88 0.00 1.97 2.00 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 197 H 8.07 4.21 0.00 3.32 3.54 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 0.00 198 R 7.98 3.88 0.00 2.03 1.94 0.00 3.34 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 199 V 7.98 3.58 2.27 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 1.04 0.00 0.00 0.96 0.00 0.00 200 T 7.71 3.88 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 201 E 8.10 3.91 0.00 2.23 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 2.22 2.31 0.00 202 E 8.44 3.95 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 203 A 8.09 4.23 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 0.00 0.00 0.00 0.00 0.00 204 K 7.96 4.11 0.00 2.01 1.89 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.68 7.81 205 T 7.94 3.87 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 1.16 0.00 0.00 206 A 8.38 3.75 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 0.00 207 F 8.43 3.90 0.00 3.30 3.14 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 0.00 208 L 8.14 4.08 0.00 1.85 1.69 0.92 0.44 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 0.00 209 L 7.84 3.75 0.00 1.00 0.59 0.48 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 210 N 7.52 4.08 0.00 2.75 2.74 0.00 0.00 6.92 8.72 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 0.00 211 I 8.26 3.93 2.06 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 1.75 1.01 0.99 0.00 0.00 212 E 8.32 4.50 0.00 2.17 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 2.56 2.11 0.00 213 L 7.24 3.83 0.00 1.81 1.43 0.87 0.66 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 0.00 214 F 7.79 4.31 0.00 3.34 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 0.00 215 E 8.53 4.07 0.00 2.06 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 0.00 2.42 2.74 0.00 216 E 8.13 3.97 0.00 2.17 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 2.30 2.34 0.00 217 L 8.25 3.97 0.00 1.49 1.52 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 218 Q 8.57 4.17 0.00 2.46 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 219 A 7.59 3.99 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 0.00 220 L 7.69 4.09 0.00 1.84 1.79 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 221 L 7.86 4.30 0.00 1.89 1.81 1.18 1.02 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 0.00 222 T 7.59 4.37 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 223 E 7.85 4.29 0.00 1.96 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 2.25 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.