NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4672 8.3049 118.3258 54.6875 33.9553 175.0120 2 R 4.2071 8.2349 120.4638 54.1420 32.0257 174.3027 3 K 4.5634 9.2932 125.3755 55.5013 33.9452 175.3520 4 I 4.6350 8.0371 126.6248 59.0760 40.3305 175.5853 5 G 4.0963 8.9345 114.8401 45.7953 0.0000 172.4255 6 I 5.0139 8.9232 123.6374 59.0968 40.7136 174.4820 7 I 4.4048 8.6543 126.7116 59.2096 40.5908 174.7504 8 G 4.7852 8.9775 116.6830 44.2379 0.0000 172.3170 9 G 3.8726 7.5820 110.1270 45.6369 0.0000 174.0142 10 T 4.0450 7.9854 110.5371 62.6598 69.1666 174.6605 11 F 3.7581 7.2932 119.6864 58.8397 36.9349 174.9729 12 D 5.1722 7.8110 115.8879 52.0623 41.1288 171.9626 13 P 5.1324 0.0000 0.0000 59.3458 34.0623 174.3137 14 P 4.6726 0.0000 0.0000 63.2747 31.8876 175.0330 15 H 4.8365 8.2651 113.8530 53.6723 31.5111 173.4456 16 Y 4.5361 9.0180 116.6390 60.6808 37.3777 178.7520 17 G 3.6883 8.1920 106.9433 48.0864 0.0000 175.2291 18 H 4.3373 8.1140 118.3307 58.6954 28.7961 177.7649 19 L 4.1970 7.9591 120.8504 57.6806 41.4079 179.1834 20 L 4.1386 8.5923 120.6237 58.4000 42.0402 178.9367 21 I 3.7430 7.9269 119.2784 64.5204 37.1550 178.0382 22 A 3.8502 8.2045 121.5974 55.3365 18.0766 179.2675 23 N 4.6838 8.8121 115.6258 56.9953 39.1518 176.9315 24 E 4.1006 8.6493 120.3160 59.6310 29.5726 179.6586 25 V 3.6907 8.1777 118.3646 65.8603 31.5845 177.0844 26 Y 4.2102 8.2316 119.4747 61.4172 38.4424 178.2834 27 H 4.0101 8.4802 116.4267 58.5770 28.6774 177.6075 28 A 3.9753 8.3606 122.8799 54.9809 18.2280 178.2603 29 L 4.3332 7.9169 112.0662 53.7055 42.5462 175.9111 30 N 3.8608 7.3466 116.4886 54.4734 37.4274 173.5889 31 L 4.2086 7.4779 117.2877 54.5219 43.0564 177.4036 32 E 4.3885 8.8665 121.9175 58.8466 30.2863 176.1635 33 E 5.1766 8.0000 116.3003 55.0746 34.8162 174.2243 34 V 4.7592 9.2978 121.5190 61.0544 34.5698 174.1257 35 W 5.4708 9.2705 128.1759 55.2230 31.3047 175.2655 36 F 4.4410 9.6994 125.0128 57.0186 39.9297 174.5542 37 L 5.0210 9.2478 126.9442 51.2539 42.9284 172.4566 38 P 5.1888 0.0000 0.0000 62.9380 31.8324 175.7779 39 N 4.9859 9.1868 122.7891 51.8359 39.5758 175.2091 40 Q 4.1550 8.8388 123.7331 56.5942 30.8312 174.5533 41 I 4.2725 7.7044 122.7451 61.4103 36.7951 178.6493 *50 I 3.9802 8.3568 128.8666 61.9628 37.7528 175.2286 51 T 4.0056 8.4495 121.6687 63.3173 69.1982 175.1379 52 S 4.3544 8.3987 120.3802 58.0022 65.1783 175.6011 53 V 3.5300 8.2946 122.7624 66.1749 31.4154 177.6009 54 E 3.8832 8.2961 118.6000 59.8188 29.3038 179.0579 55 S 4.4219 8.2120 116.1753 61.1679 62.8049 176.9975 56 R 3.9150 7.9635 120.6953 59.1504 29.8348 178.9482 57 L 3.8557 8.0455 118.9445 58.0995 41.6501 179.7706 58 Q 3.9404 7.8497 117.6004 58.9534 28.5436 178.7120 59 M 3.6226 7.6482 119.7989 58.0859 32.0093 178.5282 60 L 3.7117 7.9166 120.7650 57.8447 42.1545 178.6388 61 E 3.7602 8.2994 119.6751 59.2417 29.3684 178.8447 62 L 3.8997 7.6029 117.5489 57.7097 41.7214 179.0738 63 A 4.0298 8.1878 120.5056 54.2571 18.7159 178.6795 64 T 4.4119 7.3180 105.5781 61.3541 69.4682 175.9722 65 E 3.8541 7.9830 119.9795 59.0794 29.4596 177.7122 66 A 4.2760 7.8171 120.1121 52.1233 19.4573 176.5195 67 E 4.3828 7.9244 114.1882 53.9411 31.0495 176.3486 68 E 4.0491 8.9399 124.7652 59.4660 29.8005 177.7745 69 H 4.7215 8.0234 112.3720 55.9635 29.9073 174.5439 70 F 5.9005 8.2878 119.2048 56.4084 40.8489 175.1916 71 S 4.8203 9.5735 118.3657 56.9923 67.8262 172.6359 72 I 4.7277 8.1078 121.7556 59.9359 38.5906 174.7536 73 C 4.4979 9.0914 127.6469 57.5492 33.6995 173.9460 74 L 4.5865 8.4244 124.9460 54.4711 41.4778 177.5869 75 E 3.9146 8.1597 121.4217 59.7706 29.2863 178.5613 76 E 4.0308 8.3517 117.8564 58.3264 29.4975 177.4865 77 L 4.5071 8.0423 117.4254 55.1034 42.7980 177.7344 78 S 4.4583 7.7601 113.1115 58.4475 63.7330 174.3494 79 R 4.4867 7.2457 120.7138 54.5892 31.7813 175.1379 80 K 4.4462 8.3854 120.6807 56.5506 34.4811 175.3728 81 G 4.0484 8.4891 112.1855 44.2929 0.0000 173.8410 82 P 4.6070 0.0000 0.0000 61.0312 32.2682 174.7454 83 S 4.7771 8.4235 116.7704 56.3268 64.9590 172.9046 84 Y 4.5325 8.4456 124.3836 56.2758 41.1933 176.8494 85 T 3.8591 8.4373 120.2509 67.0513 68.5955 175.9168 86 Y 4.1760 8.3954 120.7418 61.0229 38.7506 177.8247 87 D 4.2614 8.4239 118.9056 57.7526 41.0014 178.8001 88 T 3.8629 7.8181 115.8617 67.1654 68.4421 176.7180 89 M 3.8848 8.2667 120.7457 57.8096 31.8449 178.5427 90 L 3.7092 7.8771 121.1102 58.2496 42.1261 179.0455 91 Q 3.9690 7.9785 117.7661 59.0502 28.5679 179.0250 92 L 4.2164 8.0358 120.2036 58.0442 41.7334 179.7084 93 T 4.1981 8.2205 110.0116 64.5808 68.4139 176.9510 94 K 4.0998 7.7648 120.8914 59.4178 32.2373 179.2600 95 K 4.0765 8.2672 117.5788 57.9445 33.4552 177.1325 96 Y 4.9067 8.3125 116.7500 55.4177 38.2666 174.0959 97 P 4.5755 0.0000 0.0000 64.2646 32.3103 177.1338 98 D 4.8121 8.1613 116.8469 52.9267 39.6881 174.9538 99 V 4.4200 7.5043 119.7084 61.6477 33.3852 174.9408 100 Q 4.2677 9.0674 130.5913 54.8543 29.9256 174.3220 101 F 4.7109 8.5872 126.3144 57.3905 40.8890 174.5961 102 H 5.1788 9.6106 121.3562 54.0465 30.7566 173.3175 103 F 4.5405 9.1205 128.2439 57.3654 40.2471 174.3967 104 I 4.8872 7.9157 128.5309 60.5042 37.9308 175.5589 105 I 4.8811 9.3294 120.0441 58.6649 41.6409 175.3333 106 G 3.9938 8.8095 111.9256 45.2425 0.0000 175.0602 107 G 3.6656 8.6385 108.7280 47.7523 0.0000 175.9183 108 D 4.3323 8.0240 119.3285 56.7455 41.1374 177.5323 109 M 4.4627 8.0788 118.7522 57.6968 32.2586 177.9155 110 V 3.3992 7.4108 118.7142 65.8895 31.2484 177.5753 111 E 3.6919 7.7649 118.0769 58.5268 29.7896 176.5623 112 Y 4.8889 8.0233 114.8955 57.6397 38.7589 177.2984 113 L 3.0701 7.6667 122.4462 57.1136 41.6912 177.7529 114 P 4.6240 0.0000 0.0000 64.2610 31.3156 177.0871 115 K 4.4443 8.0367 116.0284 56.5980 32.6457 177.2453 116 W 4.4867 8.3382 120.5803 56.0449 29.6386 175.0970 117 Y 4.1556 8.9013 122.9196 59.3750 38.6705 175.5424 118 N 4.0945 8.3721 124.6119 52.8724 37.6958 175.6974 119 I 3.6883 7.4251 118.4184 63.7305 37.9953 176.3412 120 E 3.7775 7.9461 117.6642 59.5589 29.4494 178.9772 121 A 3.9953 7.7176 121.8793 54.3214 18.4229 179.1568 122 L 4.1536 8.1193 119.1370 58.3111 41.9543 179.1649 123 L 4.1111 7.6675 118.0530 57.3634 41.5658 178.4783 124 D 4.5661 7.7709 117.2297 55.8546 41.0250 177.8640 125 L 4.3880 7.6446 118.9385 55.4984 42.2965 176.7510 126 V 4.6807 6.7732 108.8942 59.8481 36.2695 175.1470 127 T 4.4425 8.5479 119.4151 61.9714 70.2137 174.4855 128 F 4.8650 8.7565 125.8666 57.3726 40.7561 174.4972 129 V 4.7877 9.4421 123.5232 61.2029 33.9677 174.2802 130 G 4.3628 9.3877 116.0917 44.7778 0.0000 172.3836 131 V 4.7248 8.7184 124.6226 61.6984 32.7630 174.5467 132 A 5.0733 8.6664 129.9966 49.8205 22.0668 176.0271 133 R 4.5012 8.4636 118.8387 55.5091 31.6298 174.7962 134 P 4.5998 0.0000 0.0000 64.5318 31.6779 177.0938 135 G 3.8335 9.1418 111.2866 45.2848 0.0000 172.7083 136 Y 4.6478 7.5635 117.0173 56.1901 39.6931 175.0627 137 K 4.6199 8.4686 122.3637 54.5869 34.1383 176.1210 138 L 4.2826 8.4024 123.5674 54.1808 42.5235 176.3413 139 R 4.4493 8.1616 122.2924 55.0683 31.3163 175.7487 140 T 4.2309 7.7491 114.1844 60.6434 69.9738 171.4933 141 P 4.1896 0.0000 0.0000 65.0007 31.7396 176.6267 142 Y 4.5884 7.1587 115.6799 56.1639 38.8443 173.4629 143 P 4.8057 0.0000 0.0000 62.2196 30.3241 175.2360 144 I 4.7641 7.8933 117.5423 59.5587 40.9627 174.9742 145 T 4.5462 8.7202 119.7628 63.0467 70.2745 173.9569 146 T 5.0906 8.4772 121.2688 61.7717 71.2718 173.6638 147 V 4.4402 8.6824 125.8253 61.0426 34.4743 174.0443 148 E 4.9731 8.8915 127.6931 55.9923 30.3089 176.0942 149 I 4.7448 8.6939 125.1034 58.7114 41.1979 173.7310 150 P 4.2917 0.0000 0.0000 62.5544 31.7941 175.8481 151 E 4.0902 8.7489 123.5442 56.3077 30.0365 176.3752 152 F 5.0762 8.5524 127.3978 56.3300 39.8761 174.6946 153 A 4.3809 8.5163 135.0000 51.6640 18.2108 177.9640 154 V 4.0654 7.1345 119.4456 61.8787 33.5776 175.8151 155 S 4.5267 7.7493 115.0805 55.7819 67.1811 175.1589 156 S 4.1296 8.7023 119.1813 62.0637 62.5944 177.2950 157 S 4.0224 7.9455 116.1656 61.2885 62.7456 175.9230 158 L 4.0255 7.6364 123.9294 58.0118 41.7038 179.0835 159 L 3.9506 7.7563 118.4905 57.5865 41.5420 179.6050 160 R 3.5507 8.0437 118.1260 59.2914 30.0649 178.4891 161 E 3.9066 8.1471 118.1841 59.9346 29.4370 179.9125 162 R 3.8542 8.0732 117.3174 59.7052 30.3279 178.7880 163 Y 4.0739 8.1817 116.6016 61.0028 37.6147 178.7516 164 K 4.3599 8.0463 121.1155 58.7362 32.3648 177.7557 165 E 4.3190 7.8957 116.0556 54.9521 30.5655 176.8483 166 K 3.8372 7.3652 117.5136 57.5018 30.1411 174.1203 167 K 4.5500 7.8609 118.9813 54.1548 34.8561 175.4874 168 T 3.9105 8.2797 118.1959 62.9548 67.9098 173.3784 169 C 4.7581 8.2749 122.6823 58.9335 29.7209 173.6313 170 K 4.0081 7.5383 121.2364 58.2457 31.8928 176.8252 171 Y 4.1477 8.6479 122.3621 58.2316 36.0907 169.8682 172 L 4.6308 8.2414 120.0796 56.1549 42.4752 176.4666 173 L 4.9120 7.6515 115.5858 51.9549 43.8234 174.5046 174 P 4.3904 0.0000 0.0000 62.0061 32.8086 177.1460 175 E 4.0103 9.1421 121.9721 59.9650 29.3999 180.1095 176 K 4.0195 8.0272 117.5561 59.5066 32.1145 179.4407 177 V 3.5968 7.7289 118.0283 65.9040 31.3904 177.8920 178 Q 4.1948 8.2017 119.2115 58.4327 28.6354 178.9106 179 V 3.5841 7.9071 119.1220 66.1956 31.4438 177.2119 180 Y 3.9414 8.2135 119.2626 60.8366 38.5633 178.2875 181 I 3.6066 8.1033 120.7231 64.3854 37.0176 178.4036 182 E 3.8919 8.3579 119.4872 59.5290 29.2513 179.6109 183 R 3.9309 8.2563 116.3590 58.2173 30.1721 177.0748 184 N 4.5924 7.3072 113.1254 51.7922 39.6936 174.5428 185 G 3.8260 7.5051 106.1320 46.3406 0.0000 174.4461 186 L 3.7166 7.3580 118.8170 55.3520 42.3834 177.1185 187 Y 3.9524 7.9380 116.5431 59.2855 35.4485 170.1814 188 E 4.3151 7.6212 125.2684 56.6226 29.6808 176.1140 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.47 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 2 R 8.23 4.21 0.00 1.73 1.75 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 3 K 9.29 4.56 0.00 1.59 1.56 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.59 1.41 7.81 4 I 8.04 4.64 0.92 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.30 -0.34 0.00 0.00 5 G 8.93 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.92 5.01 1.71 0.00 0.00 1.00 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 1.15 0.87 0.00 0.00 7 I 8.65 4.40 1.58 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.39 0.15 0.00 0.00 8 G 8.98 4.79 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 0.00 0.00 0.00 9 G 7.58 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 10 T 7.99 4.04 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 1.15 0.00 0.00 11 F 7.29 3.76 0.00 3.32 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.81 5.17 0.00 2.71 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 13 P 0.00 5.13 0.00 2.31 2.25 0.00 3.46 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 14 P 0.00 4.67 0.00 2.17 2.15 0.00 3.79 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 15 H 8.27 4.84 0.00 3.47 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 9.02 4.54 0.00 3.47 3.35 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 17 G 8.19 3.69 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 0.00 0.00 0.00 18 H 8.11 4.34 0.00 3.55 3.79 0.00 5.65 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 19 L 7.96 4.20 0.00 2.00 2.06 0.98 0.57 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 20 L 8.59 4.14 0.00 2.09 2.14 1.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.93 3.74 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.52 0.93 0.00 0.00 22 A 8.20 3.85 0.82 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 23 N 8.81 4.68 0.00 3.21 3.22 0.00 0.00 7.26 7.78 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 24 E 8.65 4.10 0.00 2.24 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 2.65 2.57 0.00 25 V 8.18 3.69 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 1.09 0.00 0.00 1.01 0.00 0.00 26 Y 8.23 4.21 0.00 3.26 3.36 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 27 H 8.48 4.01 0.00 3.31 3.32 0.00 5.68 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 28 A 8.36 3.98 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 29 L 7.92 4.33 0.00 1.63 1.62 0.95 0.93 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 30 N 7.35 3.86 0.00 2.65 2.72 0.00 0.00 7.15 7.82 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 31 L 7.48 4.21 0.00 1.80 1.72 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.87 4.39 0.00 1.94 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 2.37 2.33 0.00 33 E 8.00 5.18 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 34 V 9.30 4.76 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 0.61 0.00 0.00 1.12 0.00 0.00 35 W 9.27 5.47 0.00 3.22 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 9.70 4.44 0.00 2.62 2.22 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 37 L 9.25 5.02 0.00 1.81 1.65 1.07 1.24 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 38 P 0.00 5.19 0.00 2.05 2.14 0.00 4.01 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 39 N 9.19 4.99 0.00 2.54 2.72 0.00 0.00 6.90 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 40 Q 8.84 4.16 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 41 I 7.70 4.27 1.87 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 1.40 0.92 0.90 0.00 0.00 *50 I 8.36 3.98 1.88 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 1.43 0.49 0.93 0.00 0.00 51 T 8.45 4.01 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 1.22 0.00 0.00 52 S 8.40 4.35 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 61 E 8.30 3.76 0.00 2.03 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 2.22 2.30 0.00 62 L 7.60 3.90 0.00 1.68 1.64 0.86 0.66 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 63 A 8.19 4.03 1.14 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 0.00 0.00 64 T 7.32 4.41 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 0.46 0.00 0.00 65 E 7.98 3.85 0.00 2.07 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 2.45 2.25 0.00 66 A 7.82 4.28 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 67 E 7.92 4.38 0.00 1.16 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 0.00 1.96 1.47 0.00 68 E 8.94 4.05 0.00 1.97 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 2.31 2.30 0.00 69 H 8.02 4.72 0.00 3.01 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0.88 0.00 0.00 86 Y 8.40 4.18 0.00 3.08 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 87 D 8.42 4.26 0.00 3.02 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 88 T 7.82 3.86 4.41 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 1.26 0.00 0.00 89 M 8.27 3.88 0.00 1.83 1.96 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.71 0.00 90 L 7.88 3.71 0.00 1.08 1.55 0.82 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.98 3.97 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 92 L 8.04 4.22 0.00 1.31 1.32 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.22 4.20 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 1.36 0.00 0.00 94 K 7.76 4.10 0.00 2.00 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6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 9.12 4.54 0.00 2.97 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 0.00 104 I 7.92 4.89 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.91 0.00 0.00 105 I 9.33 4.88 2.09 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 1.46 0.00 0.00 106 G 8.81 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 0.00 0.00 0.00 107 G 8.64 3.67 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 0.00 0.00 0.00 108 D 8.02 4.33 0.00 2.71 2.80 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 0.00 109 M 8.08 4.46 0.00 2.46 2.28 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 3.05 0.00 110 V 7.41 3.40 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 0.88 0.00 0.00 0.93 0.00 0.00 111 E 7.76 3.69 0.00 1.55 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 1.94 2.10 0.00 112 Y 8.02 4.89 0.00 3.35 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.67 3.07 0.00 1.51 1.18 0.18 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.62 0.00 2.12 2.22 0.00 3.70 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 115 K 8.04 4.44 0.00 2.18 2.03 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.51 7.81 116 W 8.34 4.49 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 0.00 117 Y 8.90 4.16 0.00 3.04 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 0.00 118 N 8.37 4.09 0.00 1.44 1.86 0.00 0.00 7.30 7.88 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 0.00 119 I 7.43 3.69 2.08 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.96 0.00 0.00 120 E 7.95 3.78 0.00 2.16 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 0.00 2.24 2.25 0.00 121 A 7.72 4.00 1.16 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 0.00 122 L 8.12 4.15 0.00 2.07 1.92 0.90 0.86 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 0.00 123 L 7.67 4.11 0.00 1.84 1.71 0.32 1.13 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 0.00 124 D 7.77 4.57 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 0.00 125 L 7.64 4.39 0.00 1.76 1.68 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 126 V 6.77 4.68 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.16 0.00 0.00 127 T 8.55 4.44 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 1.20 0.00 0.00 128 F 8.76 4.86 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 9.44 4.79 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 1.02 0.00 0.00 1.03 0.00 0.00 130 G 9.39 4.36 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 0.00 131 V 8.72 4.72 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 0.97 0.00 0.00 0.98 0.00 0.00 132 A 8.67 5.07 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 0.00 133 R 8.46 4.50 0.00 1.94 2.12 0.00 2.71 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 134 P 0.00 4.60 0.00 2.07 2.04 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 135 G 9.14 3.83 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 0.00 0.00 0.00 136 Y 7.56 4.65 0.00 3.18 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 0.00 137 K 8.47 4.62 0.00 1.76 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.44 7.81 138 L 8.40 4.28 0.00 1.64 1.57 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.16 4.45 0.00 1.73 1.81 0.00 3.39 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 140 T 7.75 4.23 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 1.24 0.00 0.00 141 P 0.00 4.19 0.00 1.25 1.77 0.00 3.22 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.83 0.00 142 Y 7.16 4.59 0.00 3.02 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 0.00 143 P 0.00 4.81 0.00 2.23 2.15 0.00 3.90 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 144 I 7.89 4.76 2.13 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 1.37 0.79 0.97 0.00 0.00 145 T 8.72 4.55 4.31 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 1.25 0.00 0.00 146 T 8.48 5.09 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 1.25 0.00 0.00 147 V 8.68 4.44 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 1.03 0.00 0.00 0.97 0.00 0.00 148 E 8.89 4.97 0.00 1.93 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 2.35 2.38 0.00 149 I 8.69 4.74 1.94 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 1.30 0.82 1.00 0.00 0.00 150 P 0.00 4.29 0.00 2.04 2.00 0.00 3.73 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 2.10 0.00 151 E 8.75 4.09 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 152 F 8.55 5.08 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.52 4.38 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 0.00 154 V 7.13 4.07 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 0.55 0.00 0.00 155 S 7.75 4.53 0.00 3.95 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 0.00 156 S 8.70 4.13 0.00 3.85 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 0.00 157 S 7.95 4.02 0.00 4.00 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 0.00 158 L 7.64 4.03 0.00 1.67 1.79 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.76 3.95 0.00 1.91 1.78 0.95 0.68 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 0.00 160 R 8.04 3.55 0.00 1.85 1.83 0.00 3.15 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.51 0.00 161 E 8.15 3.91 0.00 2.27 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 2.34 2.38 0.00 162 R 8.07 3.85 0.00 1.91 1.78 0.00 3.04 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 163 Y 8.18 4.07 0.00 3.39 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 0.00 164 K 8.05 4.36 0.00 1.96 2.08 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.40 7.81 165 E 7.90 4.32 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 2.33 2.51 0.00 166 K 7.37 3.84 0.00 1.88 1.84 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.41 7.81 167 K 7.86 4.55 0.00 1.64 1.69 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.31 7.81 168 T 8.28 3.91 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 0.00 169 C 8.27 4.76 0.00 2.77 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 0.00 170 K 7.54 4.01 0.00 1.60 1.59 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.31 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.98 7.81 171 Y 8.65 4.15 0.00 3.29 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 0.00 172 L 8.24 4.63 0.00 1.92 1.71 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.65 4.91 0.00 1.62 1.62 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 174 P 0.00 4.39 0.00 2.03 1.90 0.00 3.63 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.18 0.00 175 E 9.14 4.01 0.00 2.08 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 2.45 2.50 0.00 176 K 8.03 4.02 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.52 7.81 177 V 7.73 3.60 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 1.18 0.00 0.00 0.85 0.00 0.00 178 Q 8.20 4.19 0.00 2.46 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 179 V 7.91 3.58 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 0.96 0.00 0.00 1.01 0.00 0.00 180 Y 8.21 3.94 0.00 3.10 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 0.00 181 I 8.10 3.61 1.83 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 1.53 0.62 0.20 0.00 0.00 182 E 8.36 3.89 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 183 R 8.26 3.93 0.00 1.66 1.89 0.00 3.07 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 184 N 7.31 4.59 0.00 2.26 2.41 0.00 0.00 6.94 7.52 0.00 0.00 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 G 7.51 3.83 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 0.00 0.00 0.00 186 L 7.36 3.72 0.00 1.06 0.13 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 7.94 3.95 0.00 3.22 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 0.00 188 E 7.62 4.32 0.00 2.06 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 2.54 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.