NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.4337 8.5298 120.0846 55.6432 33.4088 174.2473 2 R 4.2916 8.3392 121.0010 54.1035 32.3174 174.0293 3 K 4.6680 9.2044 122.9702 55.5390 33.9622 176.6068 4 I 4.6408 7.9937 126.5907 59.1093 40.1580 175.6686 5 G 4.1492 9.0395 114.5178 45.7008 0.0000 172.4755 6 I 4.9876 8.7523 123.0267 59.0734 40.8186 174.4320 7 I 4.4130 8.7576 127.0285 59.1473 40.4901 174.7679 8 G 4.6619 8.7575 116.7472 44.5848 0.0000 172.3139 9 G 3.7726 8.0160 108.9615 45.9081 0.0000 173.8515 10 T 4.0554 8.1393 110.1269 62.6244 69.5468 174.7357 11 F 3.7541 7.3898 119.7588 58.8567 36.8927 175.0626 12 D 5.1694 7.7639 115.7483 52.0258 41.1272 171.9459 13 P 5.0783 0.0000 0.0000 59.5090 33.8884 174.4310 14 P 4.6908 0.0000 0.0000 63.2912 32.0598 174.8044 15 H 4.7866 8.2816 113.7774 53.6026 31.2295 173.8247 16 Y 4.6011 8.8723 116.9745 60.7269 37.4300 178.9745 17 G 3.7371 8.2344 106.8697 48.1284 0.0000 175.2855 18 H 4.3553 8.1157 118.4645 58.7200 28.7512 177.9468 19 L 4.2113 8.1635 120.2943 57.6796 41.4868 179.0478 20 L 4.1423 8.6007 120.6246 58.3816 42.0746 178.9907 21 I 3.7491 7.8646 119.1761 64.4452 37.1089 178.0403 22 A 3.8796 8.1640 121.5615 55.3581 18.1013 179.2659 23 N 4.6829 8.8369 115.6760 56.9983 39.1366 176.9051 24 E 4.0946 8.6638 120.3221 59.5956 29.5670 179.6481 25 V 3.6699 8.1439 118.3014 65.9093 31.6144 177.1167 26 Y 4.2103 8.2772 119.4624 61.3659 38.5095 178.2418 27 H 3.9852 8.4373 116.4394 58.6055 28.7182 177.5061 28 A 3.9676 8.3122 122.7685 54.9373 18.2145 178.2594 29 L 4.3815 7.9421 111.9659 53.6211 42.4669 175.9650 30 N 3.8744 7.4289 115.9859 54.4643 37.5410 174.0193 31 L 4.1711 7.4484 116.7188 54.4982 42.9835 177.7391 32 E 4.2668 9.0061 123.0095 59.3834 30.1646 176.5099 33 E 5.1667 7.9990 116.2479 55.2782 34.7809 174.0993 34 V 4.7999 9.3004 121.2999 61.0560 34.7015 174.0862 35 W 5.5165 9.2940 128.1185 55.2114 31.5239 175.0897 36 F 4.6114 9.6864 124.5234 56.7610 40.2000 174.6396 37 L 5.1797 9.1959 126.6267 52.0984 43.0724 172.7219 38 P 5.2301 0.0000 0.0000 62.4996 31.9100 176.0602 39 N 4.8296 9.2397 122.2366 53.3226 39.6263 174.6701 40 Q 4.1793 8.3833 120.0384 54.9418 29.6614 175.5118 *49 N 4.4909 8.5328 119.7481 53.0439 39.7585 174.1612 50 I 4.1324 8.2202 124.0743 60.6265 38.1853 176.0783 51 T 3.9853 8.4220 121.9072 63.2891 69.1527 175.1089 52 S 4.3200 8.4298 120.3486 58.1806 65.0864 175.6335 53 V 3.5559 8.2826 122.6525 66.3235 31.2655 178.0298 54 E 3.9446 8.1060 118.4812 59.3191 29.5606 178.6939 55 S 4.4068 8.2857 116.8306 61.1749 62.9258 176.9751 56 R 3.9289 7.9792 120.6500 59.2870 29.8312 179.1708 57 L 3.9171 8.3116 119.2071 57.7661 41.5681 179.6603 58 Q 3.8359 8.1639 118.3126 58.9962 28.5723 178.5491 59 M 3.6218 7.5520 119.7070 58.0808 32.0479 178.5232 60 L 3.6785 7.7570 120.4689 57.8002 42.1622 178.5547 61 E 3.7291 7.9955 119.1792 59.3682 29.3910 178.7265 62 L 3.8958 7.5114 117.1519 57.8909 41.7320 179.2359 63 A 4.0507 8.1584 120.3271 54.1735 18.7178 178.6701 64 T 4.4380 7.2953 105.4807 61.3277 69.3607 175.9270 65 E 3.8552 8.0761 120.1241 59.1376 29.5026 177.7160 66 A 4.2741 7.8273 120.0717 52.1247 19.3932 176.4504 67 E 4.3640 7.9024 114.3436 53.8736 31.1943 176.5652 68 E 3.8545 8.9020 124.5735 59.2270 29.8143 177.5193 69 H 4.8502 7.7886 112.5278 55.4726 29.9817 174.2959 70 F 5.8502 8.0458 118.7733 56.6619 40.4635 175.3721 71 S 4.8110 9.6050 118.6263 56.9643 67.8276 172.6763 72 I 4.6763 8.1062 121.8887 60.0528 38.4664 174.7294 73 C 4.4645 9.0287 128.0595 57.6670 32.9566 173.9558 74 L 4.4390 8.4269 124.9970 54.4997 41.4847 177.6259 75 E 3.9337 8.1704 121.3054 59.9092 29.5285 178.8418 76 E 4.0846 8.2217 117.1757 58.8567 29.3444 178.7457 77 L 4.2415 7.8222 118.1249 56.6630 41.9940 178.3193 78 S 4.6485 7.6736 112.8887 58.0395 63.0388 173.9380 79 R 4.4899 7.0737 120.8735 53.7257 31.2428 175.8654 80 K 3.7109 8.5588 122.7327 58.0486 32.5175 178.1721 81 G 3.9950 8.6275 107.0428 44.7184 0.0000 171.2097 82 P 4.4449 0.0000 0.0000 62.0751 32.0270 176.4427 83 S 4.5116 8.0069 115.2683 56.0682 66.0609 174.6812 84 Y 4.2886 8.2057 122.9503 58.3581 39.6006 177.5125 85 T 3.9172 8.6731 119.8447 66.9469 68.5325 176.1092 86 Y 4.1495 8.3433 120.8824 60.9606 38.8485 177.7937 87 D 4.3032 8.4643 119.0686 57.7496 41.0134 178.8905 88 T 3.8613 7.8234 115.7802 67.1056 68.4418 176.8037 89 M 3.9219 8.3319 120.8829 57.8091 31.8555 178.5838 90 L 3.7239 7.8316 121.0669 58.1912 42.2333 178.9755 91 Q 3.9784 7.9517 117.7951 59.1632 28.5978 179.1064 92 L 4.2730 7.9993 120.1033 57.9731 41.5504 179.6889 93 T 4.2126 8.3130 110.2177 64.5200 68.4963 176.9801 94 K 4.0649 7.8900 120.7318 59.4952 32.2322 179.2087 95 K 4.0744 7.9848 117.1664 57.9185 33.4608 177.1099 96 Y 4.8889 8.2411 116.7348 55.3462 37.9691 174.2916 97 P 4.5483 0.0000 0.0000 64.4901 32.3351 177.3079 98 D 4.7178 8.1457 116.3044 53.9997 41.0960 175.1488 99 V 4.2719 7.4721 120.4409 61.5195 32.8849 175.2752 100 Q 4.2567 8.8511 130.0486 54.7803 29.9537 174.3154 101 F 4.6894 8.5461 126.3914 57.5065 40.7997 174.6158 102 H 5.1446 9.6246 121.7033 54.0569 30.2932 173.2375 103 F 4.4528 8.9619 127.6165 57.4512 40.2911 174.2429 104 I 4.9438 7.8605 128.5070 60.3731 37.9720 175.4980 105 I 4.9037 9.3259 120.1617 58.6408 41.6328 175.3089 106 G 4.0168 8.8170 111.7749 45.1959 0.0000 175.0479 107 G 3.7449 8.6958 108.9161 47.8856 0.0000 175.9368 108 D 4.4614 8.0911 119.3443 56.8597 41.0958 177.6411 109 M 4.4166 8.2223 118.8356 57.7632 32.1843 178.0135 110 V 3.3608 7.3928 118.5963 65.8208 31.3095 177.2779 111 E 3.6702 7.8832 118.0235 59.1672 29.5922 176.8518 112 Y 4.9383 7.6773 114.4659 57.8730 38.3396 177.4466 113 L 3.0702 7.6699 123.5206 57.1848 41.6459 177.8727 114 P 4.6042 0.0000 0.0000 64.3573 31.3040 177.1109 115 K 4.4191 7.8798 115.3714 56.6129 32.6022 177.2055 116 W 4.4727 8.4250 120.8524 55.9295 29.6799 175.1151 117 Y 4.0516 8.7170 122.8429 59.3223 38.4023 175.4622 118 N 3.7898 8.2148 124.8425 53.8333 37.7321 175.5392 119 I 3.6306 7.3764 118.1710 63.9230 37.6501 176.5318 120 E 3.8586 7.8473 116.8376 59.2746 30.1009 178.5239 121 A 4.0820 7.6544 121.2808 54.5408 18.4965 179.1018 122 L 4.1340 8.1529 119.2821 58.4264 41.9351 179.1814 123 L 4.0368 7.8489 117.9885 57.6560 41.5780 178.6185 124 D 4.5546 7.7489 116.6979 55.8630 41.0216 177.8370 125 L 4.4165 7.7351 118.8012 55.3613 42.3289 176.6362 126 V 4.6760 6.7830 109.0307 59.8828 36.3792 175.0866 127 T 4.4266 8.5726 119.3391 61.9480 70.1613 174.5245 128 F 4.8676 8.7188 125.8413 57.3605 40.8305 174.6697 129 V 4.7572 9.3740 123.2233 61.2430 34.0806 174.2960 130 G 4.3357 9.3973 116.4238 44.9220 0.0000 172.2450 131 V 4.7243 8.7738 124.8890 61.8601 32.7029 174.5737 132 A 5.1970 8.7549 130.0837 49.8833 22.1716 176.0117 133 R 4.5402 8.6162 118.7764 55.4125 31.6368 174.7973 134 P 4.5791 0.0000 0.0000 64.4502 31.6992 177.1532 135 G 3.9903 9.1408 111.6416 45.2206 0.0000 172.4588 136 Y 4.7811 7.5617 120.3314 55.6372 40.4711 174.6869 137 K 4.1773 7.6037 125.5567 54.6197 33.6786 176.2569 138 L 3.9602 7.9478 123.4734 54.1595 42.4404 176.4124 139 R 4.3873 8.1575 122.2834 55.0537 31.1975 175.7074 140 T 4.3292 7.7379 114.8744 60.5287 70.0267 171.5400 141 P 4.1928 0.0000 0.0000 65.0368 31.7708 176.7242 142 Y 4.5791 7.1651 115.4777 56.1643 38.8208 173.4759 143 P 4.7733 0.0000 0.0000 62.3664 30.3276 175.2717 144 I 4.7430 7.8896 117.4375 59.5217 40.9237 174.9615 145 T 4.5191 8.7226 119.8694 63.0548 70.1997 173.9553 146 T 5.0735 8.4525 121.4895 61.7821 71.1433 173.7678 147 V 4.4481 8.6262 125.4890 61.0560 34.5888 174.0348 148 E 4.9199 8.8708 127.5255 55.9602 30.3294 176.0375 149 I 4.7592 8.7799 125.1320 58.7476 41.3016 173.7214 150 P 4.3068 0.0000 0.0000 62.2873 31.8206 175.9354 151 E 4.0417 8.7656 123.7440 56.3447 29.9698 176.2337 152 F 5.0598 8.6295 127.6933 56.4041 39.9677 174.5254 153 A 4.4054 8.5511 135.0000 51.7951 18.3774 177.8444 154 V 4.0704 7.1488 119.7120 61.7139 33.4478 175.9063 155 S 4.5388 7.7724 115.3687 55.7521 67.2356 175.1756 156 S 4.1060 8.6829 119.1588 62.0587 62.6517 177.2995 157 S 4.0295 7.9568 116.2113 61.2349 62.6508 176.0173 158 L 3.8950 7.6390 124.0332 57.9188 41.7390 178.9870 159 L 3.8943 7.8000 118.8780 57.7587 41.5340 179.6658 160 R 3.5409 8.0429 118.2427 59.0266 29.9752 178.6392 161 E 3.8930 8.1132 118.9173 59.3968 29.6022 178.7789 162 R 3.8587 8.1322 118.3345 59.8274 30.1569 178.6650 163 Y 4.1204 8.1956 116.3985 60.9268 37.6203 178.5523 164 K 4.2184 8.1188 119.8705 59.1816 32.3597 177.7456 165 E 4.3759 8.0387 116.2794 54.9082 30.0281 176.3230 166 K 3.8430 7.7272 117.3531 57.5003 30.3518 174.7823 167 K 4.5370 7.9312 117.8012 54.2328 34.4672 175.4491 168 T 3.9000 8.2821 118.3434 62.9163 67.8988 173.4241 169 C 4.7440 8.2999 123.0419 58.9204 29.6818 173.5535 170 K 3.9666 7.4915 121.9590 58.2586 31.8584 176.7977 171 Y 4.1391 8.6537 122.4052 58.2386 35.9800 169.6732 172 L 4.6927 8.1975 119.9669 55.8245 42.6899 176.3731 173 L 4.8596 7.6361 115.7310 51.9761 43.7380 174.5157 174 P 4.3819 0.0000 0.0000 61.9860 32.9930 177.3285 175 E 4.0271 9.0199 121.2289 59.8699 29.4750 179.9939 176 K 4.0239 8.0484 117.7550 59.4960 32.0830 179.4159 177 V 3.6705 7.6153 118.0865 65.7783 31.4475 177.9733 178 Q 4.1106 8.2254 117.9788 59.0367 28.6595 178.8539 179 V 3.5934 8.2001 119.5911 66.1606 31.4004 177.2525 180 Y 3.9274 8.0927 119.1144 60.7867 38.6079 178.2196 181 I 3.5820 7.9554 120.6211 64.5877 37.2792 178.4165 182 E 3.9801 8.4755 119.5432 59.2049 28.9921 179.4569 183 R 4.0895 7.8277 117.3122 57.9322 30.3285 177.5403 184 N 4.5986 7.7391 113.7513 51.4042 39.2781 174.8245 185 G 3.9283 7.3175 106.9992 46.2791 0.0000 174.3111 186 L 3.7691 7.3955 117.6818 55.2902 42.2685 177.1193 187 Y 4.0423 7.9267 116.0695 59.4819 35.3844 170.1535 188 E 4.3596 7.6079 124.5453 56.5835 29.8982 176.1118 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 8.53 5.43 0.00 1.87 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 2 R 8.34 4.29 0.00 1.88 2.09 0.00 2.95 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 3 K 9.20 4.67 0.00 1.61 1.60 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.40 7.81 4 I 7.99 4.64 0.97 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.34 -0.32 0.00 0.00 5 G 9.04 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 0.00 0.00 0.00 6 I 8.75 4.99 1.62 0.00 0.00 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 1.22 1.16 0.83 0.00 0.00 7 I 8.76 4.41 1.60 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.63 0.18 0.00 0.00 8 G 8.76 4.66 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 0.00 0.00 0.00 9 G 8.02 3.77 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 0.00 10 T 8.14 4.06 4.25 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 1.18 0.00 0.00 11 F 7.39 3.75 0.00 3.31 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 7.76 5.17 0.00 2.65 2.58 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 0.00 0.00 0.00 0.00 13 P 0.00 5.08 0.00 2.33 2.28 0.00 3.39 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 14 P 0.00 4.69 0.00 2.18 2.16 0.00 3.83 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 15 H 8.28 4.79 0.00 3.49 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.87 4.60 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 8.23 3.74 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 0.00 0.00 0.00 18 H 8.12 4.36 0.00 3.58 3.81 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 8.16 4.21 0.00 2.07 2.08 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.60 4.14 0.00 2.09 2.14 1.08 1.16 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 7.86 3.75 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.53 0.93 0.00 0.00 22 A 8.16 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.84 4.68 0.00 3.20 3.22 0.00 0.00 7.28 7.58 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 24 E 8.66 4.09 0.00 2.25 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 8.14 3.67 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 1.02 0.00 0.00 1.00 0.00 0.00 26 Y 8.28 4.21 0.00 3.24 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 8.44 3.99 0.00 3.30 3.31 0.00 5.69 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 8.31 3.97 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 29 L 7.94 4.38 0.00 1.55 1.61 0.94 0.92 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 30 N 7.43 3.87 0.00 2.66 2.72 0.00 0.00 7.13 9.10 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 31 L 7.45 4.17 0.00 1.82 1.83 1.00 0.40 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 32 E 9.01 4.27 0.00 1.92 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 2.39 2.35 0.00 33 E 8.00 5.17 0.00 1.97 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 2.48 2.45 0.00 34 V 9.30 4.80 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 0.62 0.00 0.00 1.12 0.00 0.00 35 W 9.29 5.52 0.00 3.24 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 36 F 9.69 4.61 0.00 2.62 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 0.00 0.00 0.00 0.00 37 L 9.20 5.18 0.00 1.82 1.64 1.07 0.90 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 38 P 0.00 5.23 0.00 2.05 2.12 0.00 3.98 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 39 N 9.24 4.83 0.00 2.59 2.75 0.00 0.00 7.02 7.43 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 40 Q 8.38 4.18 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 *49 N 8.53 4.49 0.00 2.73 2.81 0.00 0.00 7.18 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 50 I 8.22 4.13 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.49 0.93 0.00 0.00 51 T 8.42 3.99 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 1.21 0.00 0.00 52 S 8.43 4.32 0.00 4.04 3.99 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 8.00 3.73 0.00 2.08 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 2.22 2.31 0.00 62 L 7.51 3.90 0.00 1.68 1.65 0.90 0.60 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 63 A 8.16 4.05 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 64 T 7.30 4.44 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 0.41 0.00 0.00 65 E 8.08 3.86 0.00 2.07 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 0.00 2.46 2.24 0.00 66 A 7.83 4.27 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 7.90 4.36 0.00 1.16 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 1.98 1.47 0.00 68 E 8.90 3.85 0.00 1.98 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 2.29 0.00 69 H 7.79 4.85 0.00 3.22 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0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.67 4.65 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.07 4.49 0.00 1.88 1.83 0.00 3.18 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 80 K 8.56 3.71 0.00 1.72 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.45 7.81 81 G 8.63 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.44 0.00 1.83 1.85 0.00 3.51 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 1.90 2.01 0.00 83 S 8.01 4.51 0.00 3.78 3.73 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 84 Y 8.21 4.29 0.00 3.34 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 85 T 8.67 3.92 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 0.91 0.00 0.00 86 Y 8.34 4.15 0.00 3.06 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 87 D 8.46 4.30 0.00 2.98 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 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 8.33 3.92 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.75 0.00 90 L 7.83 3.72 0.00 1.10 1.55 0.84 0.56 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 7.95 3.98 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 92 L 8.00 4.27 0.00 1.32 1.40 0.82 0.72 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 8.31 4.21 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 1.41 0.00 0.00 94 K 7.89 4.06 0.00 1.97 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0.85 0.00 0.00 0.95 0.00 0.00 111 E 7.88 3.67 0.00 1.61 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 1.61 2.11 0.00 112 Y 7.68 4.94 0.00 3.30 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 0.00 113 L 7.67 3.07 0.00 1.53 1.19 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.60 0.00 2.11 2.21 0.00 3.84 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 115 K 7.88 4.42 0.00 2.17 2.02 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.51 7.81 116 W 8.42 4.47 0.00 3.43 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 0.00 117 Y 8.72 4.05 0.00 2.26 2.59 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 0.00 118 N 8.21 3.79 0.00 1.44 1.86 0.00 0.00 6.81 7.76 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 0.00 119 I 7.38 3.63 2.07 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.94 0.00 0.00 120 E 7.85 3.86 0.00 2.11 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 2.16 2.24 0.00 121 A 7.65 4.08 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 0.00 122 L 8.15 4.13 0.00 2.03 1.88 0.92 1.19 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 0.00 123 L 7.85 4.04 0.00 1.77 1.70 0.27 0.93 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 7.75 4.55 0.00 2.85 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 0.00 125 L 7.74 4.42 0.00 1.73 1.69 0.80 0.70 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 6.78 4.68 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 0.63 0.00 0.00 0.09 0.00 0.00 127 T 8.57 4.43 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 1.19 0.00 0.00 128 F 8.72 4.87 0.00 3.07 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 0.00 129 V 9.37 4.76 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 1.02 0.00 0.00 130 G 9.40 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 0.00 0.00 0.00 0.00 131 V 8.77 4.72 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 0.99 0.00 0.00 0.99 0.00 0.00 132 A 8.75 5.20 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 0.00 133 R 8.62 4.54 0.00 1.85 1.91 0.00 3.07 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 134 P 0.00 4.58 0.00 2.06 2.03 0.00 3.72 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 2.05 2.13 0.00 135 G 9.14 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 0.00 136 Y 7.56 4.78 0.00 2.91 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 0.00 137 K 7.60 4.18 0.00 1.48 1.48 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.32 7.81 138 L 7.95 3.96 0.00 1.54 1.53 0.93 1.05 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 0.00 139 R 8.16 4.39 0.00 1.75 1.81 0.00 3.34 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 140 T 7.74 4.33 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 1.20 0.00 0.00 141 P 0.00 4.19 0.00 1.25 1.77 0.00 3.24 0.00 0.00 3.42 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 7.17 4.58 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 0.00 143 P 0.00 4.77 0.00 2.22 2.14 0.00 3.89 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 2.06 2.01 0.00 144 I 7.89 4.74 2.11 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 0.76 1.03 0.00 0.00 145 T 8.72 4.52 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 1.24 0.00 0.00 146 T 8.45 5.07 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 0.00 147 V 8.63 4.45 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 1.11 0.00 0.00 0.97 0.00 0.00 148 E 8.87 4.92 0.00 1.92 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 2.32 2.36 0.00 149 I 8.78 4.76 1.95 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 0.80 1.00 0.00 0.00 150 P 0.00 4.31 0.00 2.03 1.98 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 2.03 2.09 0.00 151 E 8.77 4.04 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 2.38 2.36 0.00 152 F 8.63 5.06 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.55 4.41 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 0.00 154 V 7.15 4.07 1.57 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 -0.33 0.00 0.00 0.54 0.00 0.00 155 S 7.77 4.54 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 8.68 4.11 0.00 3.86 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 0.00 157 S 7.96 4.03 0.00 4.01 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 0.00 158 L 7.64 3.90 0.00 1.67 1.80 0.89 0.58 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 0.00 159 L 7.80 3.89 0.00 1.88 1.76 0.93 0.92 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 3.54 0.00 1.84 1.84 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.47 0.00 161 E 8.11 3.89 0.00 2.03 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 0.00 2.29 2.46 0.00 162 R 8.13 3.86 0.00 1.97 1.72 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 163 Y 8.20 4.12 0.00 3.30 3.11 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 0.00 0.00 0.00 164 K 8.12 4.22 0.00 1.97 2.02 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.54 7.81 165 E 8.04 4.38 0.00 1.99 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 2.32 2.52 0.00 166 K 7.73 3.84 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.40 7.81 167 K 7.93 4.54 0.00 1.63 1.73 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.32 7.81 168 T 8.28 3.90 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 8.30 4.74 0.00 2.72 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 0.00 170 K 7.49 3.97 0.00 1.53 1.57 0.00 1.65 0.00 0.00 1.45 0.00 0.00 2.31 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.98 7.81 171 Y 8.65 4.14 0.00 3.30 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 0.00 172 L 8.20 4.69 0.00 1.91 1.71 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.64 4.86 0.00 1.74 1.61 1.12 0.78 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 0.00 174 P 0.00 4.38 0.00 2.04 1.90 0.00 3.61 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.24 0.00 175 E 9.02 4.03 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 176 K 8.05 4.02 0.00 1.79 1.86 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.52 7.81 177 V 7.62 3.67 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 1.17 0.00 0.00 0.84 0.00 0.00 178 Q 8.23 4.11 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.56 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 179 V 8.20 3.59 2.33 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 1.01 0.00 0.00 1.01 0.00 0.00 180 Y 8.09 3.93 0.00 3.22 3.09 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 0.00 181 I 7.96 3.58 1.84 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 1.52 0.63 0.32 0.00 0.00 182 E 8.48 3.98 0.00 1.99 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 2.41 2.41 0.00 183 R 7.83 4.09 0.00 1.81 1.79 0.00 3.11 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 184 N 7.74 4.60 0.00 2.20 2.56 0.00 0.00 7.06 7.25 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 0.00 185 G 7.32 3.93 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 0.00 0.00 0.00 186 L 7.40 3.77 0.00 1.08 0.21 0.82 0.72 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 0.00 187 Y 7.93 4.04 0.00 3.15 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 0.00 188 E 7.61 4.36 0.00 2.05 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 2.29 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.