NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4885 8.1776 116.7881 58.1471 65.2803 175.8367 11 P 4.0234 0.0000 0.0000 65.2316 30.8971 175.2202 12 E 4.1908 9.0242 119.2000 59.4270 29.9525 180.1999 13 R 3.9952 8.1687 117.5642 59.6477 30.1377 178.8888 14 L 4.1200 8.5027 118.5736 57.7842 41.6392 179.5097 15 A 4.1686 8.3829 120.6427 55.0732 18.3550 179.6043 16 A 4.0038 8.3643 119.2166 55.1927 18.4354 179.7860 17 A 3.9925 8.2736 119.4028 55.0566 18.3883 179.4335 18 L 3.8323 8.4138 119.3419 58.4480 42.1042 178.9301 19 F 4.0128 8.3401 120.3555 61.3957 39.1284 176.7883 20 D 4.3427 8.3780 118.3905 57.3205 40.6854 178.9428 21 V 3.5069 7.9068 118.4181 65.9279 31.5072 177.6220 22 A 3.8063 7.9834 120.5498 55.3113 17.8857 179.4885 23 A 3.6014 7.4147 117.8081 55.0452 18.3945 179.5512 24 E 4.1373 7.6125 116.6411 58.7965 30.0685 178.2690 25 S 4.4678 8.1661 110.8849 57.0465 64.1634 174.7308 26 G 4.1837 8.2421 112.1686 44.6988 0.0000 175.1413 27 L 3.8647 7.9233 117.5379 56.9824 41.7015 179.5534 28 E 4.0879 8.2131 115.7989 58.4395 29.5069 177.8622 29 G 4.0790 8.0699 106.4183 45.6679 0.0000 173.9348 30 A 4.4610 7.4820 125.5220 51.3254 18.2105 178.0716 31 S 4.4194 7.5812 118.2574 57.8263 65.8160 174.8167 32 V 3.7239 8.6795 125.2715 67.2186 30.6736 179.0862 33 R 3.9643 8.0439 119.3817 61.7101 29.0547 180.0627 34 E 4.2385 8.1681 119.0200 58.9116 29.7397 178.7356 35 V 3.7485 8.1209 118.3531 65.5775 31.5177 177.7507 36 A 4.0646 7.9801 120.4984 55.2538 18.0211 179.2580 37 K 3.8030 7.6758 116.7864 59.5591 31.9799 178.0999 38 R 4.0858 7.6808 116.2567 56.8493 30.4149 176.1532 39 A 4.6691 9.0467 118.0362 51.4019 21.1853 178.1727 40 G 4.9200 6.2835 113.6518 46.5182 0.0000 173.1437 41 V 4.5048 7.4554 113.8238 58.2397 35.5813 175.7719 42 S 3.9892 8.8164 120.0169 59.6703 63.3903 176.6032 43 I 3.8388 8.7230 122.9623 62.6708 35.5845 175.1787 44 G 3.8175 8.1437 104.8347 47.7155 0.0000 175.5376 45 A 3.9688 7.9290 123.1228 55.0995 18.2158 179.8435 46 V 3.6164 7.7505 116.0482 66.4006 31.6192 177.8796 47 Q 4.2525 7.4960 118.0910 58.7040 28.8089 177.7320 48 H 4.1878 8.2054 119.1265 59.4078 29.9673 176.4783 49 H 4.2235 7.3421 115.7325 55.9787 28.6783 175.6321 50 F 5.1516 7.7474 120.0920 55.4113 41.2815 176.1730 51 S 4.2408 9.0051 121.5083 60.3658 63.2423 174.4164 52 T 4.7499 7.7182 108.8842 58.9668 71.6770 173.4462 53 K 3.9786 8.8147 123.7333 59.7692 32.5073 177.6265 54 D 4.2393 8.0024 117.7592 57.1792 41.5209 177.9010 55 E 4.1759 8.2688 116.4820 57.1246 29.2993 178.1249 *57 F 4.7832 8.2245 117.4842 57.1963 41.0599 177.2864 58 A 3.9446 8.3102 122.2161 55.0244 18.0679 179.3891 59 F 3.9550 8.3706 119.0049 61.3549 39.4564 177.1897 60 A 3.8777 7.9225 119.8673 55.0073 18.2430 179.1855 61 L 3.2538 7.7669 119.1437 58.0858 41.9515 179.3317 62 R 3.7949 7.9002 118.2440 59.4838 29.9209 179.2041 63 T 3.5870 7.5247 115.4380 66.3129 68.3212 176.5073 64 L 3.7575 7.7751 122.1918 58.0339 42.1434 179.0523 65 V 3.5003 7.9878 118.5350 66.2233 31.4416 177.6103 66 D 4.3563 8.1974 118.7213 57.3468 40.7111 179.0615 67 K 3.8989 7.9553 118.9319 59.1857 31.9421 179.0734 68 L 3.9056 8.0475 120.7564 58.3043 42.0576 179.0874 69 L 3.9355 8.3603 119.0189 57.7457 41.2785 179.4233 70 A 4.0164 7.7937 120.0264 54.8295 18.5446 179.5460 71 R 3.9377 7.7727 116.8677 59.6074 30.2908 178.3200 72 L 3.9403 8.0677 119.4183 58.2492 41.4779 179.9558 73 S 4.2034 7.9503 112.5116 60.9463 62.8424 176.1561 74 E 4.0992 7.7979 120.9122 59.4661 29.7550 179.0257 75 V 3.9474 7.7189 111.1423 61.4658 33.3293 176.3586 76 E 4.5323 7.9098 120.7609 54.6242 28.3705 175.8869 77 R 4.6016 7.7423 121.8386 55.1787 31.6192 176.5037 78 G 3.7467 7.9241 106.2873 45.7876 0.0000 174.2119 79 G 3.5744 8.5369 108.4043 46.0644 0.0000 173.8128 80 D 4.3546 8.5904 121.2234 53.8211 42.1735 175.3771 81 P 4.2172 0.0000 0.0000 66.0263 31.4075 178.2125 82 A 4.0380 8.0544 120.6756 54.8559 18.2017 179.6720 83 R 3.8930 8.4146 114.3104 59.2634 29.5846 179.0039 84 A 3.9935 7.9283 121.0697 54.9682 18.2050 179.6216 85 L 3.9722 8.1952 116.8383 57.7121 41.7194 179.3575 86 F 4.0525 8.3028 119.5752 61.2668 39.5196 176.5181 87 A 4.3307 8.2741 118.9904 55.3038 18.3762 179.2696 88 A 4.0891 7.9109 115.7101 53.2179 17.9964 179.2062 *90 S 4.1612 8.0048 115.7336 59.1740 64.8742 176.0221 91 Q 4.0292 7.8005 119.5776 58.3578 28.4586 177.0447 92 L 4.3310 7.7311 115.3854 55.0000 42.3517 176.2685 93 L 4.6462 7.1110 119.0983 52.3718 43.5261 175.8361 94 P 4.7274 0.0000 0.0000 62.2208 29.4078 175.8432 95 L 4.4509 7.6917 121.4463 56.2615 43.1237 176.5414 96 D 4.7993 7.5670 117.5421 50.6252 43.7895 175.3258 97 E 3.8991 8.8439 119.1653 59.4500 29.4087 178.4257 98 A 4.0564 8.0017 120.0918 55.4677 18.4897 179.6058 99 R 4.0960 8.6103 116.1944 58.6094 30.1400 179.2166 100 S 4.0903 8.4093 113.8731 61.3615 62.4439 176.2626 101 R 3.8953 8.1754 120.7501 59.3284 29.6293 178.8419 102 E 4.3960 8.1900 116.7085 59.6170 29.6105 178.9798 103 A 4.1619 8.1402 119.6587 55.3376 18.7113 178.7323 104 H 4.3092 8.3984 116.8161 59.3973 29.8187 178.1823 105 V 3.2645 7.6276 117.8938 63.3023 31.3572 177.3759 *107 A 4.2088 8.0362 121.6380 51.6534 20.6360 179.6882 108 A 3.9080 8.0059 117.5183 55.4585 18.3791 179.8661 109 F 4.2248 8.3435 116.2754 60.7430 38.7066 177.8163 110 A 4.0951 7.9390 119.1519 55.0599 18.5257 179.4046 111 V 3.7116 7.9008 116.9849 66.0766 31.6741 178.3323 112 R 3.9863 8.3941 118.2651 59.0743 29.6702 178.1682 113 A 4.2126 8.3429 120.5347 54.9126 18.0086 179.0207 114 A 4.0116 7.8438 119.1447 54.7466 18.3909 178.2878 115 T 4.3771 7.8757 103.6105 61.0934 69.6742 174.5012 116 S 4.4593 7.7776 116.6614 55.5714 64.7083 172.0339 117 P 4.2511 0.0000 0.0000 65.5540 31.1113 178.7749 118 S 4.1207 7.9914 112.6078 61.5197 63.0339 176.4577 119 L 3.9684 7.8532 122.3095 57.2591 41.3053 179.2724 120 A 4.0157 8.2885 120.9758 55.1953 18.2264 179.3709 121 E 3.8648 8.4177 117.8412 59.2923 29.6942 178.9867 122 I 3.6380 7.8510 119.9386 64.4071 37.1055 178.3184 123 R 3.8595 8.0818 119.4578 59.3613 29.8579 178.4655 124 R 3.9023 8.2064 118.5859 59.5363 30.1419 178.7124 125 K 4.0157 8.2934 118.3972 59.6086 31.9773 179.5302 126 T 3.8954 8.1043 116.1436 66.6873 68.3437 176.7139 127 L 4.0036 8.2809 121.1962 57.6674 41.5941 179.2399 128 F 4.0663 8.4735 120.7104 61.5947 39.2881 177.3380 129 T 3.9173 8.1724 115.1864 66.8010 68.2630 176.8363 130 I 3.6746 7.8655 121.6742 64.3160 37.1286 178.4426 131 R 3.8211 8.2472 119.9673 59.7649 29.8639 178.7315 132 T 3.7755 7.8869 115.7094 66.2586 68.4414 176.8969 133 G 3.5913 7.9421 107.6532 47.8201 0.0000 175.6106 134 L 3.9705 8.1622 122.3387 57.5971 41.2156 179.8062 135 S 4.0764 8.4411 115.1472 61.5579 62.7384 176.7391 136 A 3.9660 8.0729 123.3911 54.9725 18.1910 179.7407 137 V 3.5087 7.6359 116.5503 66.3672 31.6580 178.3781 138 L 4.0661 8.0349 118.5806 57.7315 41.3691 179.5906 139 I 3.8432 8.3206 120.5615 64.2556 36.8281 178.6838 140 G 3.6973 8.1082 105.6753 46.5278 0.0000 174.1485 141 I 4.2834 7.2752 112.5170 60.1541 37.8829 176.0713 142 G 3.9107 8.1954 108.2045 47.1358 0.0000 174.4148 143 T 4.0173 7.7973 116.7200 62.1363 68.9496 173.2707 144 P 4.2419 0.0000 0.0000 64.1053 32.3928 176.0288 145 E 3.7360 8.9382 119.9301 56.7461 27.4853 176.3958 146 A 3.9809 8.0298 121.9832 55.6423 18.7491 179.2992 147 E 3.9903 7.9507 117.6304 59.3067 29.6489 179.6068 148 T 3.8799 7.7870 115.3045 66.7089 68.6032 176.9093 149 R 3.9213 8.4405 120.2302 58.9155 30.0187 178.8762 150 A 3.9114 8.4698 120.8817 55.1693 18.3321 179.2769 151 A 3.9183 8.0290 119.1956 55.5401 18.3092 179.9380 152 L 3.8975 8.0278 117.2216 57.6423 41.6210 179.2423 153 L 3.8968 8.2842 120.7440 58.2128 41.9286 178.8608 154 L 3.8688 7.8957 119.7308 58.0919 41.9811 178.6469 155 A 3.9731 8.1840 120.8856 55.6055 18.2639 179.8329 156 T 3.8130 8.2148 114.5010 66.5801 68.5141 177.1829 157 V 3.5210 7.9441 120.3124 66.1081 31.5731 177.5483 158 D 4.4655 8.3466 118.9483 57.5935 40.7059 179.3320 159 G 3.5882 8.3747 106.2235 47.7389 0.0000 175.7279 160 L 3.9059 8.3567 121.6237 57.3446 41.6041 179.5078 161 A 3.8991 8.0533 120.7317 54.9241 18.0386 179.3229 162 L 3.7776 7.8734 118.7457 58.5298 42.2819 178.6217 163 D 4.2740 8.2784 118.8883 57.5407 40.4841 179.1454 164 A 3.7998 7.4029 120.0088 54.9113 18.4781 179.4196 165 I 3.8541 7.5740 110.9056 63.8500 37.7035 178.1432 166 G 3.8833 7.5370 104.2652 45.2923 0.0000 174.1959 167 S 4.7503 7.6967 116.2077 56.0832 63.8657 172.6908 168 P 4.3696 0.0000 0.0000 65.3670 31.9111 179.0992 169 A 4.0405 8.0313 119.9456 55.0058 18.3911 178.4060 170 L 3.8878 7.5847 114.6235 56.7228 42.4447 176.6917 171 Y 4.8016 7.5215 115.4607 55.3933 38.5213 173.7322 172 P 4.5627 0.0000 0.0000 62.1350 34.0322 175.1739 173 P 4.3361 0.0000 0.0000 66.0487 31.2212 178.8593 174 E 4.0602 8.2328 116.9180 59.3650 29.3849 178.6273 175 Y 4.0432 8.0583 119.2313 60.6745 38.9474 177.5415 176 L 4.1063 8.3185 120.0068 58.0258 41.7470 179.5094 177 E 4.1397 8.4895 118.3778 59.6952 29.4323 178.8165 178 H 4.1110 8.3204 118.0145 59.2528 29.8335 177.0883 179 A 3.7595 8.0951 122.9082 55.0002 18.0906 179.3238 180 L 3.8426 8.2186 119.1404 58.2573 42.1258 178.7873 181 D 4.5140 8.4049 118.8439 57.5823 40.5999 178.9230 182 I 3.6044 7.5075 118.6151 64.4072 37.2035 177.8012 183 Q 4.1057 8.0302 119.1530 59.3889 29.1205 178.2777 184 I 4.0236 8.1762 121.0870 64.2066 36.6723 179.4240 185 G 3.4594 8.3425 104.3219 45.6636 0.0000 175.1066 *187 I 3.9330 7.7189 123.1380 60.8934 39.0914 176.8043 188 L 4.2610 7.8394 118.2755 55.2800 41.9153 176.6570 189 Q 4.1112 7.2797 119.2608 57.5239 28.7044 176.9434 190 G 3.8556 9.0758 111.6811 45.0478 0.0000 172.9864 191 A 4.5707 7.7518 122.8638 51.4319 19.5026 177.4926 192 D 4.6764 9.0184 119.0686 51.2344 39.5568 176.1365 193 V 4.1201 8.0004 125.5656 63.5261 31.7947 175.1913 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 8.18 4.49 0.00 3.85 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.02 0.00 1.67 1.61 0.00 3.54 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 12 E 9.02 4.19 0.00 2.11 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 2.52 2.59 0.00 13 R 8.17 4.00 0.00 2.07 2.05 0.00 3.16 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 14 L 8.50 4.12 0.00 2.13 1.98 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.38 4.17 1.55 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 0.00 0.00 16 A 8.36 4.00 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 17 A 8.27 3.99 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 18 L 8.41 3.83 0.00 1.79 1.86 0.63 0.67 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 19 F 8.34 4.01 0.00 3.23 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 20 D 8.38 4.34 0.00 3.15 2.73 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 21 V 7.91 3.51 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 0.79 0.00 0.00 0.94 0.00 0.00 22 A 7.98 3.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.41 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.61 4.14 0.00 2.05 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 2.31 2.42 0.00 25 S 8.17 4.47 0.00 3.86 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.24 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 27 L 7.92 3.86 0.00 1.58 1.72 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.21 4.09 0.00 2.07 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 0.00 2.26 2.25 0.00 29 G 8.07 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 30 A 7.48 4.46 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.58 4.42 0.00 4.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.68 3.72 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 1.09 0.00 0.00 1.00 0.00 0.00 33 R 8.04 3.96 0.00 1.85 1.93 0.00 3.30 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 34 E 8.17 4.24 0.00 1.95 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 0.00 2.44 2.36 0.00 35 V 8.12 3.75 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 1.06 0.00 0.00 1.00 0.00 0.00 36 A 7.98 4.06 1.49 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 0.00 0.00 37 K 7.68 3.80 0.00 1.89 2.00 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 38 R 7.68 4.09 0.00 1.78 2.09 0.00 3.34 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 39 A 9.05 4.67 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 6.28 4.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.46 4.50 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 1.04 0.00 0.00 42 S 8.82 3.99 0.00 4.01 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 43 I 8.72 3.84 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 1.35 0.72 0.91 0.00 0.00 44 G 8.14 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 45 A 7.93 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.75 3.62 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 1.36 0.00 0.00 1.07 0.00 0.00 47 Q 7.50 4.25 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 48 H 8.21 4.19 0.00 3.17 3.39 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.34 4.22 0.00 2.31 2.06 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.75 5.15 0.00 3.10 3.03 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 51 S 9.01 4.24 0.00 3.98 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 52 T 7.72 4.75 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 53 K 8.81 3.98 0.00 1.69 1.77 0.00 1.73 0.00 0.00 1.46 0.00 0.00 2.32 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.81 1.36 7.81 54 D 8.00 4.24 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.27 4.18 0.00 2.20 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 2.49 2.38 0.00 *57 F 8.22 4.78 0.00 3.25 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 58 A 8.31 3.94 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 59 F 8.37 3.95 0.00 3.27 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 60 A 7.92 3.88 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 61 L 7.77 3.25 0.00 0.38 1.36 0.52 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.90 3.79 0.00 1.72 1.77 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 63 T 7.52 3.59 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 1.08 0.00 0.00 64 L 7.78 3.76 0.00 1.81 1.71 1.28 0.79 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 65 V 7.99 3.50 2.15 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 0.92 0.00 0.00 0.87 0.00 0.00 66 D 8.20 4.36 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.96 3.90 0.00 1.85 1.76 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.46 7.81 68 L 8.05 3.91 0.00 1.71 1.82 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.36 3.94 0.00 1.66 1.68 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.79 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.77 3.94 0.00 2.08 1.95 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 72 L 8.07 3.94 0.00 1.86 1.72 0.90 1.12 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 73 S 7.95 4.20 0.00 4.03 4.15 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 74 E 7.80 4.10 0.00 2.17 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 0.00 2.64 2.34 0.00 75 V 7.72 3.95 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 0.82 0.00 0.00 1.03 0.00 0.00 76 E 7.91 4.53 0.00 1.95 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 2.22 2.25 0.00 77 R 7.74 4.60 0.00 1.80 1.86 0.00 3.44 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 78 G 7.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.54 3.57 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 88 A 7.91 4.09 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 *90 S 8.00 4.16 0.00 3.83 3.54 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 0.00 0.00 0.00 0.00 91 Q 7.80 4.03 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.88 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 92 L 7.73 4.33 0.00 1.58 1.68 0.89 0.92 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 93 L 7.11 4.65 0.00 1.52 1.55 0.80 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.73 0.00 2.19 2.10 0.00 3.74 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 2.00 1.96 0.00 95 L 7.69 4.45 0.00 1.68 1.80 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.57 4.80 0.00 2.91 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 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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 0.31 0.00 0.00 *107 A 8.04 4.21 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 0.00 108 A 8.01 3.91 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 0.00 0.00 0.00 0.00 0.00 109 F 8.34 4.22 0.00 3.08 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 0.00 110 A 7.94 4.10 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 0.00 111 V 7.90 3.71 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 0.99 0.00 0.00 0.96 0.00 0.00 112 R 8.39 3.99 0.00 2.11 2.21 0.00 3.20 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 113 A 8.34 4.21 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.84 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.25 3.82 0.00 2.04 1.72 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 132 T 7.89 3.78 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 1.08 0.00 0.00 133 G 7.94 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.16 3.97 0.00 1.77 1.70 0.88 0.75 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 0.00 135 S 8.44 4.08 0.00 3.89 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 0.00 136 A 8.07 3.97 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 0.00 137 V 7.64 3.51 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 1.02 0.00 0.00 0.92 0.00 0.00 138 L 8.03 4.07 0.00 1.72 1.68 0.94 0.77 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 0.00 139 I 8.32 3.84 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.90 0.00 0.00 140 G 8.11 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 0.00 141 I 7.28 4.28 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 1.50 0.90 0.91 0.00 0.00 142 G 8.20 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 0.00 143 T 7.80 4.02 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 144 P 0.00 4.24 0.00 2.03 1.98 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 145 E 8.94 3.74 0.00 2.08 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 2.31 2.22 0.00 146 A 8.03 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 7.95 3.99 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 148 T 7.79 3.88 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 1.21 0.00 0.00 149 R 8.44 3.92 0.00 1.99 1.97 0.00 3.26 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 150 A 8.47 3.91 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 0.00 151 A 8.03 3.92 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 0.00 152 L 8.03 3.90 0.00 1.85 1.72 0.92 0.37 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 0.00 153 L 8.28 3.90 0.00 1.76 1.81 0.89 0.49 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 0.00 154 L 7.90 3.87 0.00 1.78 1.76 0.95 1.15 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 0.00 155 A 8.18 3.97 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 0.00 156 T 8.21 3.81 4.37 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 1.27 0.00 0.00 157 V 7.94 3.52 2.15 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 0.97 0.00 0.00 0.87 0.00 0.00 158 D 8.35 4.47 0.00 2.94 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 0.00 159 G 8.37 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.36 3.91 0.00 1.86 1.70 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.05 3.90 1.38 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 0.00 0.00 162 L 7.87 3.78 0.00 1.82 1.76 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 163 D 8.28 4.27 0.00 2.31 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 0.00 0.00 0.00 164 A 7.40 3.80 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 0.00 165 I 7.57 3.85 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.60 0.91 0.00 0.00 166 G 7.54 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.70 4.75 0.00 4.06 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 0.00 168 P 0.00 4.37 0.00 2.20 2.13 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 169 A 8.03 4.04 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 0.00 170 L 7.58 3.89 0.00 1.69 1.02 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 7.52 4.80 0.00 2.98 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 0.00 172 P 0.00 4.56 0.00 2.50 2.21 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 173 P 0.00 4.34 0.00 2.24 2.34 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 174 E 8.23 4.06 0.00 2.13 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 2.44 2.48 0.00 175 Y 8.06 4.04 0.00 3.06 3.16 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 0.00 176 L 8.32 4.11 0.00 2.00 1.77 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 177 E 8.49 4.14 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 178 H 8.32 4.11 0.00 3.22 3.29 0.00 5.79 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 0.00 179 A 8.10 3.76 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 0.00 180 L 8.22 3.84 0.00 1.69 1.82 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 181 D 8.40 4.51 0.00 2.96 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 0.00 182 I 7.51 3.60 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 1.28 0.53 0.87 0.00 0.00 183 Q 8.03 4.11 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 184 I 8.18 4.02 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 1.48 0.49 0.95 0.00 0.00 185 G 8.34 3.46 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 0.00 0.00 0.00 0.00 *187 I 7.72 3.93 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.90 0.00 0.00 188 L 7.84 4.26 0.00 1.73 1.69 0.93 1.14 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 0.00 189 Q 7.28 4.11 0.00 1.86 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 190 G 9.08 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 0.00 191 A 7.75 4.57 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 0.00 192 D 9.02 4.68 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 8.00 4.12 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.