NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3457 8.3027 121.4757 55.7040 31.3205 176.0897 3 F 3.8181 8.9891 126.5304 61.0146 39.4018 175.7494 4 Y 4.3483 9.1602 119.6168 60.6938 38.8985 177.1677 5 E 3.8522 7.8004 120.4361 58.9954 29.7318 178.9146 6 V 3.4721 7.6236 118.2328 66.0306 31.3688 177.7680 7 I 3.6039 7.0008 117.8180 64.7082 37.0860 178.2992 8 K 4.1153 7.9069 117.5297 59.1075 31.9155 179.0718 9 K 4.1002 8.0689 119.2514 57.5841 32.3890 177.3966 10 R 3.9782 7.4266 120.0374 56.3678 30.3592 175.5025 11 K 4.6793 8.1469 122.5778 55.1941 35.6530 175.6564 12 S 4.5390 8.6049 116.5424 58.4909 63.2186 173.8705 13 I 4.4078 8.5176 126.7815 59.4544 38.8530 175.7049 14 K 4.5492 8.4043 122.2694 55.7545 34.4967 176.0684 15 K 4.6439 7.3818 118.3455 54.4015 34.7996 175.2702 16 F 5.3860 8.6136 121.9102 55.6106 43.0730 174.4365 17 E 4.4488 9.4940 120.9539 56.1112 30.4936 178.1221 18 Q 4.1862 8.7827 119.2460 57.8876 29.2183 177.1354 19 T 3.7745 8.0402 113.8077 63.7270 68.8411 173.5510 20 A 4.1144 8.5007 128.7038 52.2281 19.0864 177.0164 21 I 3.8478 7.9227 121.7505 60.7935 38.0955 176.1020 22 D 4.5818 9.2658 124.7438 53.7006 42.3072 177.1534 23 R 3.9654 8.7230 126.9079 59.9127 30.2508 178.2686 24 D 4.3861 8.1961 118.0603 57.2586 40.8896 178.7646 25 K 4.0057 8.5439 119.0816 59.2441 32.0848 179.0106 26 L 3.9145 8.2334 120.8212 58.3748 41.9370 179.1654 27 L 3.9384 8.1381 118.8479 57.4561 41.2328 179.5066 28 K 3.9289 7.8111 119.0540 59.4442 32.2274 178.6078 29 I 3.8209 7.5953 118.9964 64.4955 37.1052 178.2016 30 I 3.6767 7.4899 119.3271 64.0353 36.9465 178.3050 31 D 4.3179 7.8794 117.2381 54.5344 42.2357 176.3756 *33 A 4.0804 7.9811 118.0411 51.7619 19.8342 179.1035 *35 R 4.2505 8.0994 116.5669 56.8455 32.0081 176.2491 36 A 4.0811 7.8238 121.8468 51.1748 18.9125 176.1475 37 P 4.5858 0.0000 0.0000 62.7931 32.1452 175.6539 38 S 4.8778 8.1193 112.8200 56.3030 66.2341 173.0488 39 W 4.3599 10.1854 132.0228 58.6828 30.5111 176.1337 40 K 3.3398 8.8199 123.8914 57.0107 29.0153 174.6498 41 N 4.2844 7.8099 111.7293 52.9225 36.7218 174.8925 42 K 4.3948 7.8164 116.0458 56.2866 33.1815 177.5541 43 T 4.1671 7.9002 117.2907 61.1658 68.9457 172.3874 44 P 4.8683 0.0000 0.0000 62.2030 31.7365 175.7814 45 Y 5.4379 6.6175 116.1392 55.7792 41.2600 174.3457 46 K 4.8098 9.1879 118.4330 54.9802 37.5423 175.0575 47 F 5.4364 9.0252 120.1033 55.9559 42.1346 174.6141 48 I 4.9589 8.8535 124.5240 59.7653 39.3243 174.9669 49 V 4.2372 9.1071 128.8571 62.3290 32.5594 174.8521 50 V 4.7509 8.7706 129.6886 61.7914 31.6660 174.9760 51 E 4.4950 9.3634 127.9725 56.7899 31.7430 177.5261 52 S 4.1881 8.1456 114.0647 58.1135 63.6467 174.1808 53 D 4.3373 8.7432 128.2434 57.1237 41.0972 178.0276 54 K 3.9206 8.0293 119.9024 59.5872 32.2270 178.6442 55 L 4.0500 7.6784 118.3923 57.5335 41.4630 179.4862 56 K 3.9248 8.1506 118.6166 59.4104 31.9581 179.0811 57 L 3.9789 8.0625 120.5148 58.1798 41.7850 178.6669 58 D 4.3657 7.9057 117.8996 57.4493 41.0580 178.6732 59 I 3.8025 7.9540 119.9902 64.2537 37.1988 178.1507 60 A 4.0344 8.3401 122.0467 55.5602 17.9909 179.5300 61 N 4.4590 8.2416 113.1528 55.9141 38.8760 176.9872 62 A 4.2569 8.0081 121.9241 53.1003 18.9088 177.6127 63 I 4.3539 6.9644 117.0884 61.7757 38.1650 176.3714 64 E 4.7568 8.7698 122.6111 55.0659 29.3356 174.9138 65 N 5.1020 7.5851 116.3032 50.9344 42.0594 175.8322 66 K 4.0928 8.7521 119.8878 59.0032 32.3206 177.5922 67 T 4.6426 7.5603 106.5564 59.8102 71.2424 174.4695 68 S 4.5306 8.4230 115.3780 58.6836 63.2410 175.7372 69 A 3.9665 7.6600 124.7371 55.5783 18.1905 179.9254 70 A 4.0114 8.0120 118.7087 55.4511 18.5278 179.6927 71 S 4.1071 8.1398 113.1120 62.0812 62.8986 176.8248 72 E 4.0397 8.6220 121.1232 59.1923 28.6756 179.2052 73 A 4.2196 8.2310 121.1027 55.2953 18.2363 179.9016 74 V 3.5406 7.6457 115.7534 66.0177 31.6725 178.0251 75 L 4.1734 7.7655 117.9246 57.3005 41.5813 178.2887 76 N 4.8477 8.2673 113.5307 52.1075 39.0851 174.8844 77 S 4.6097 6.8234 115.0661 55.5990 64.9860 172.7822 78 P 4.2004 0.0000 0.0000 65.0486 31.4308 176.3416 *80 T 4.2014 7.5824 115.9141 63.6332 70.3879 172.5153 81 I 4.8251 8.8256 126.0953 59.6309 39.6782 174.6070 82 V 4.7647 8.9232 127.3677 61.0546 34.0242 173.9551 83 A 4.9917 9.0885 130.4085 50.6098 20.7743 175.7833 84 V 4.9300 8.9336 122.8579 61.1039 34.7249 174.3366 85 A 5.2969 9.2195 128.3577 50.2397 23.4233 174.5464 86 N 4.8757 9.1979 119.0258 51.2694 39.8339 173.7843 87 P 4.1160 0.0000 0.0000 65.3352 31.6167 178.4996 88 E 4.2364 8.0726 115.8919 57.7225 29.8126 177.6341 89 E 4.1484 8.3461 120.3034 58.9437 29.7344 178.3849 90 S 4.9371 8.1143 111.0839 57.1723 65.9750 176.5885 91 G 3.6908 7.8162 109.1282 46.7014 0.0000 172.3855 92 D 5.0360 8.2806 121.3790 52.3563 43.6429 175.3262 93 V 4.2672 8.0592 121.4334 62.2823 34.0635 175.9348 94 S 3.6966 9.8106 124.2730 59.7957 60.3339 172.9188 95 G 3.9075 8.3353 102.9293 45.7548 0.0000 173.4675 96 K 4.4287 7.7146 118.0181 53.4884 35.5856 175.8120 97 E 4.8106 8.3840 124.0085 55.2318 29.5937 177.5422 98 I 3.6122 7.9771 127.4871 64.5195 37.1179 177.8830 99 Y 4.2910 8.1043 117.9388 60.2591 37.6674 178.5946 100 L 3.6857 6.7842 120.1050 57.2800 41.6784 179.4256 101 I 3.6562 7.4936 119.1393 64.6319 37.1866 178.1367 102 D 4.4850 8.4307 119.8417 57.7731 40.4787 179.0665 103 T 3.3645 8.1710 115.2929 66.2870 68.5040 176.3290 104 A 4.4976 7.9259 121.7904 55.2417 18.8214 179.1987 105 I 3.9180 7.9173 118.1189 64.5653 37.4263 180.3084 106 A 4.1428 7.6813 121.0794 52.1656 18.2629 178.9288 *108 E 4.5104 8.2531 124.1162 58.2189 31.8702 177.4170 109 H 4.2351 8.3465 115.8798 58.9175 28.6707 177.8416 110 I 3.6097 7.6510 121.4165 64.0622 36.8963 178.5847 111 V 3.4998 7.5913 118.5782 66.0386 31.3923 177.9055 112 L 4.0593 8.4171 119.1800 57.6877 41.4630 179.6493 113 G 3.6215 8.4361 105.7996 47.7765 0.0000 175.1882 114 A 4.1477 8.4197 123.9015 55.4083 18.4898 179.8586 115 T 3.9072 7.8532 113.8447 66.8906 68.3189 176.1375 116 D 4.3450 7.9990 118.7381 57.3293 41.2685 177.4996 117 E 4.2558 7.9853 115.7234 56.1837 29.7673 177.1411 118 G 3.7828 7.7231 107.2539 45.0601 0.0000 172.7128 119 Y 5.2184 7.7676 116.5601 56.0205 40.0464 176.0093 120 G 4.3652 9.6132 110.7282 46.1641 0.0000 172.3178 121 T 5.0037 8.2082 109.0126 60.7249 72.6784 172.3333 122 C 4.9083 9.1300 122.2166 58.0194 35.0231 172.9976 123 W 4.5222 9.2246 127.2923 56.9686 29.6821 175.7419 124 I 4.7853 9.0423 124.6876 59.8507 39.4694 175.8030 125 A 4.4019 9.1474 128.4889 51.4287 21.2345 175.2641 126 A 4.2169 7.5241 119.4423 50.6751 19.6389 175.6893 127 F 5.0839 7.3650 115.3183 55.2223 40.2736 174.6814 128 N 4.5846 9.2201 120.8754 53.2769 38.3310 175.0224 129 E 4.1261 8.8929 129.2740 59.4374 29.8376 178.0198 130 N 4.3160 8.3067 115.9438 56.3553 38.6346 177.3798 131 K 4.0054 8.3678 119.9060 59.3627 32.1237 179.5699 132 I 3.7115 7.6171 120.0131 64.1298 37.0044 178.5546 133 K 3.9017 8.2421 119.6348 59.1689 31.2844 178.8050 134 E 3.8582 8.3812 119.5162 59.3251 29.3591 178.6531 135 A 4.0231 7.7941 119.1139 54.9255 18.7486 178.7707 136 L 4.3697 7.9801 114.7845 53.4162 42.4208 176.7280 137 K 3.9312 7.5237 116.4209 57.3901 29.8850 175.7472 138 I 3.8498 7.5460 118.7255 59.0353 38.6121 174.9624 139 P 4.1908 0.0000 0.0000 62.8315 31.6401 176.9276 140 D 4.3685 8.4698 121.0115 56.3963 41.3738 176.5812 141 N 4.4669 7.9410 114.3427 53.8615 37.8217 174.7451 142 L 4.4511 7.3652 119.3602 53.6161 43.6602 175.5114 143 R 4.8159 8.4749 118.6416 54.4727 33.3854 175.5822 144 V 4.2711 9.2130 124.4017 62.3903 31.4248 175.8532 145 V 4.1608 8.9370 128.9885 65.4063 31.9917 175.5613 146 A 5.2392 7.9474 119.3859 51.6278 22.7077 174.3068 147 L 5.1207 8.9719 118.4725 55.1826 44.5969 174.8408 148 T 5.2312 9.0988 113.8176 59.5142 70.9111 171.4743 149 P 4.6143 0.0000 0.0000 62.9373 33.0474 174.6942 150 L 4.7440 6.8997 121.4498 52.8717 44.9926 175.2287 151 G 3.7734 8.0218 111.4331 45.5187 0.0000 171.9425 152 V 4.5237 8.0636 120.2654 61.8862 32.4595 173.6955 153 P 4.6414 0.0000 0.0000 62.4968 31.9968 176.3873 154 K 4.4803 8.1250 122.8111 57.2732 32.2110 175.7169 155 D 4.6261 9.0877 126.0179 54.9941 37.5996 176.4925 *165 K 4.0089 7.7999 117.9054 56.0963 32.4083 175.3124 166 K 4.4471 8.3898 123.4741 55.4126 33.9599 176.9657 167 D 4.8114 8.2595 122.0072 53.2073 43.1696 175.4829 *169 D 4.5332 8.7042 116.6318 55.3217 42.7388 178.6473 170 E 3.7817 8.0237 112.1396 57.4934 29.9080 178.5414 171 Y 4.4523 7.5068 113.5745 58.0463 40.3337 174.7353 172 L 4.9878 7.3920 121.9605 53.6436 45.3083 174.7773 173 Y 5.5655 9.0586 123.8967 56.3052 41.9839 174.4603 174 I 4.9365 8.6853 121.4193 60.5082 39.6868 176.8390 175 D 4.7275 9.8141 132.3333 55.1969 40.9916 174.4454 176 K 4.7264 8.2831 119.1502 53.7188 35.2892 175.0408 177 W 4.0829 8.9096 135.0000 59.1336 30.8169 176.1129 178 G 3.0196 5.3800 114.1047 44.8864 0.0000 173.0718 179 T 4.1323 7.0091 117.3259 61.7483 68.4140 174.2921 180 S 4.5692 8.6712 121.9644 58.6438 62.6402 174.2844 181 F 4.1191 9.1590 126.6626 59.8083 38.5661 175.9533 *183 E 4.3321 8.0103 116.8772 55.7151 31.0788 175.6316 184 S 4.6486 7.5094 117.7721 57.2794 64.6408 174.6571 185 N 4.4811 8.4963 119.3075 52.6412 37.3880 174.7191 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 2 E 8.30 4.35 0.00 2.02 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 2.37 2.32 0.00 3 F 8.99 3.82 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 4 Y 9.16 4.35 0.00 3.19 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 5 E 7.80 3.85 0.00 2.23 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 2.27 2.31 0.00 6 V 7.62 3.47 1.93 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 0.88 0.00 0.00 0.93 0.00 0.00 7 I 7.00 3.60 2.14 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.79 0.97 0.00 0.00 8 K 7.91 4.12 0.00 1.78 1.78 0.00 1.38 0.00 0.00 1.38 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.41 7.81 9 K 8.07 4.10 0.00 1.77 1.84 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.41 7.81 10 R 7.43 3.98 0.00 1.94 1.97 0.00 3.43 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 11 K 8.15 4.68 0.00 1.85 1.71 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.45 7.81 12 S 8.60 4.54 0.00 3.93 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 13 I 8.52 4.41 1.79 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 1.46 0.81 0.14 0.00 0.00 14 K 8.40 4.55 0.00 1.66 1.82 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.37 7.81 15 K 7.38 4.64 0.00 1.48 1.60 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.31 7.81 16 F 8.61 5.39 0.00 3.05 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 17 E 9.49 4.45 0.00 1.93 1.93 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 2.66 2.50 0.00 18 Q 8.78 4.19 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 19 T 8.04 3.77 4.32 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 1.28 0.00 0.00 20 A 8.50 4.11 1.25 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 0.00 0.00 21 I 7.92 3.85 1.75 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 1.07 0.54 0.66 0.00 0.00 22 D 9.27 4.58 0.00 2.88 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 23 R 8.72 3.97 0.00 1.99 1.98 0.00 3.29 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.96 0.00 24 D 8.20 4.39 0.00 2.97 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 25 K 8.54 4.01 0.00 2.17 2.01 0.00 1.67 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.66 7.81 26 L 8.23 3.91 0.00 1.68 1.81 0.71 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.14 3.94 0.00 1.74 1.71 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.81 3.93 0.00 2.00 1.95 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 29 I 7.60 3.82 1.97 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 1.43 0.84 0.81 0.00 0.00 30 I 7.49 3.68 1.76 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.49 0.85 0.00 0.00 31 D 7.88 4.32 0.00 2.71 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 *33 A 7.98 4.08 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 *35 R 8.10 4.25 0.00 1.90 2.06 0.00 3.24 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 36 A 7.82 4.08 1.22 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 0.00 0.00 37 P 0.00 4.59 0.00 2.24 2.10 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 38 S 8.12 4.88 0.00 4.30 4.13 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 0.00 0.00 0.00 39 W 10.19 4.36 0.00 3.32 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 40 K 8.82 3.34 0.00 1.34 1.44 0.00 0.69 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.52 0.21 7.81 41 N 7.81 4.28 0.00 2.81 2.84 0.00 0.00 6.98 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.82 4.39 0.00 1.96 2.16 0.00 1.87 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 43 T 7.90 4.17 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 0.26 0.00 0.00 44 P 0.00 4.87 0.00 2.39 2.49 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.11 0.00 45 Y 6.62 5.44 0.00 2.71 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 46 K 9.19 4.81 0.00 1.77 1.45 0.00 1.26 0.00 0.00 1.00 0.00 0.00 2.52 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.31 1.48 7.81 47 F 9.03 5.44 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.85 4.96 2.04 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.21 1.08 0.00 0.00 49 V 9.11 4.24 2.36 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 0.86 0.00 0.00 0.65 0.00 0.00 50 V 8.77 4.75 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 0.96 0.00 0.00 51 E 9.36 4.49 0.00 1.97 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 2.27 2.28 0.00 52 S 8.15 4.19 0.00 4.00 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 53 D 8.74 4.34 0.00 2.82 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 54 K 8.03 3.92 0.00 1.82 1.79 0.00 1.78 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.48 7.81 55 L 7.68 4.05 0.00 1.89 1.70 0.96 0.98 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 56 K 8.15 3.92 0.00 1.98 1.85 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.63 7.81 57 L 8.06 3.98 0.00 1.77 1.86 0.93 1.10 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 58 D 7.91 4.37 0.00 2.86 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 59 I 7.95 3.80 1.98 0.00 0.00 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 1.37 0.79 0.86 0.00 0.00 60 A 8.34 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 4.46 0.00 2.86 2.91 0.00 0.00 7.05 6.89 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 62 A 8.01 4.26 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 6.96 4.35 1.95 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 1.49 0.84 1.00 0.00 0.00 64 E 8.77 4.76 0.00 1.93 1.88 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 2.26 2.51 0.00 65 N 7.59 5.10 0.00 2.80 2.74 0.00 0.00 7.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.75 4.09 0.00 1.75 1.88 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 67 T 7.56 4.64 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 68 S 8.42 4.53 0.00 4.09 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 69 A 7.66 3.97 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 70 A 8.01 4.01 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 71 S 8.14 4.11 0.00 4.09 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 72 E 8.62 4.04 0.00 2.18 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 2.36 2.53 0.00 73 A 8.23 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.65 3.54 2.24 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 0.89 0.00 0.00 0.99 0.00 0.00 75 L 7.77 4.17 0.00 1.86 1.73 0.94 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 76 N 8.27 4.85 0.00 2.83 2.91 0.00 0.00 6.99 7.57 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 77 S 6.82 4.61 0.00 3.54 2.77 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 78 P 0.00 4.20 0.00 2.10 2.14 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 *80 T 7.58 4.20 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 81 I 8.83 4.83 1.75 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.70 0.84 0.00 0.00 82 V 8.92 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 1.00 0.00 0.00 0.91 0.00 0.00 83 A 9.09 4.99 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 84 V 8.93 4.93 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 0.65 0.00 0.00 1.03 0.00 0.00 85 A 9.22 5.30 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 86 N 9.20 4.88 0.00 2.82 2.75 0.00 0.00 7.48 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.12 0.00 2.05 1.80 0.00 3.41 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 1.76 0.97 0.00 88 E 8.07 4.24 0.00 2.10 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 2.29 2.36 0.00 89 E 8.35 4.15 0.00 2.08 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 2.38 2.34 0.00 90 S 8.11 4.94 0.00 3.99 4.45 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 91 G 7.82 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 92 D 8.28 5.04 0.00 2.63 2.48 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 93 V 8.06 4.27 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 0.85 0.00 0.00 -0.38 0.00 0.00 94 S 9.81 3.70 0.00 3.95 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 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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 0.00 0.00 0.00 1.20 0.00 0.00 104 A 7.93 4.50 1.45 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 0.00 0.00 105 I 7.92 3.92 2.07 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 1.51 1.32 0.93 0.00 0.00 106 A 7.68 4.14 1.06 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 0.00 0.00 *108 E 8.25 4.51 0.00 2.56 2.36 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 2.43 2.56 0.00 109 H 8.35 4.24 0.00 3.46 3.35 0.00 5.69 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 0.00 110 I 7.65 3.61 1.59 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.19 0.68 0.00 0.00 111 V 7.59 3.50 2.30 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 1.21 0.00 0.00 0.53 0.00 0.00 112 L 8.42 4.06 0.00 1.75 1.65 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.44 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.15 1.46 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 0.00 115 T 7.85 3.91 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 1.22 0.00 0.00 116 D 8.00 4.35 0.00 2.61 2.91 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 0.00 117 E 7.99 4.26 0.00 2.01 1.71 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 2.48 2.48 0.00 118 G 7.72 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.77 5.22 0.00 2.98 2.82 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 0.00 120 G 9.61 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 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8.89 4.13 0.00 2.33 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 2.44 2.56 0.00 130 N 8.31 4.32 0.00 2.95 2.86 0.00 0.00 7.14 7.99 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 0.00 131 K 8.37 4.01 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 132 I 7.62 3.71 1.66 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.89 0.71 0.00 0.00 133 K 8.24 3.90 0.00 1.89 1.93 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.54 7.81 134 E 8.38 3.86 0.00 2.10 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 2.30 2.33 0.00 135 A 7.79 4.02 1.39 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 0.00 0.00 0.00 136 L 7.98 4.37 0.00 1.73 1.77 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.52 3.93 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.54 7.81 138 I 7.55 3.85 1.67 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 1.14 0.47 0.30 0.00 0.00 139 P 0.00 4.19 0.00 2.05 1.90 0.00 2.59 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 2.04 2.04 0.00 140 D 8.47 4.37 0.00 2.56 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 0.00 141 N 7.94 4.47 0.00 2.81 2.86 0.00 0.00 6.01 7.79 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 0.00 142 L 7.37 4.45 0.00 1.41 1.44 0.16 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.47 4.82 0.00 1.55 1.85 0.00 3.19 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.37 0.00 144 V 9.21 4.27 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 0.50 0.00 0.00 0.85 0.00 0.00 145 V 8.94 4.16 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 0.96 0.00 0.00 1.22 0.00 0.00 146 A 7.95 5.24 1.47 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 0.00 0.00 0.00 147 L 8.97 5.12 0.00 1.82 1.69 0.95 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 148 T 9.10 5.23 4.06 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 1.02 0.00 0.00 149 P 0.00 4.61 0.00 1.68 2.18 0.00 3.94 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 2.21 2.15 0.00 150 L 6.90 4.74 0.00 1.39 1.26 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 151 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 0.00 152 V 8.06 4.52 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 0.88 0.00 0.00 1.18 0.00 0.00 153 P 0.00 4.64 0.00 1.95 1.85 0.00 3.82 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 154 K 8.12 4.48 0.00 1.57 1.72 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.24 7.81 155 D 9.09 4.63 0.00 2.70 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 *165 K 7.80 4.01 0.00 2.04 1.84 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 166 K 8.39 4.45 0.00 1.65 1.66 0.00 1.47 0.00 0.00 1.08 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.34 7.81 167 D 8.26 4.81 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *169 D 8.70 4.53 0.00 2.90 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 E 8.02 3.78 0.00 2.07 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 2.26 2.15 0.00 171 Y 7.51 4.45 0.00 2.70 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 0.00 172 L 7.39 4.99 0.00 1.70 1.44 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 173 Y 9.06 5.57 0.00 2.92 2.89 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 0.00 174 I 8.69 4.94 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.60 0.97 0.00 0.00 175 D 9.81 4.73 0.00 2.85 2.82 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 0.00 176 K 8.28 4.73 0.00 1.70 1.55 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.37 7.81 177 W 8.91 4.08 0.00 3.30 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 0.00 178 G 5.38 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 0.00 0.00 0.00 179 T 7.01 4.13 4.45 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 1.19 0.00 0.00 180 S 8.67 4.57 0.00 3.88 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 0.00 181 F 9.16 4.12 0.00 3.11 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 *183 E 8.01 4.33 0.00 2.03 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 2.22 2.48 0.00 184 S 7.51 4.65 0.00 3.86 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 0.00 185 N 8.50 4.48 0.00 2.74 2.59 0.00 0.00 6.58 7.56 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 * Residues marked with a * may have inaccurate shift predictions.