NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3015 8.1593 115.2426 61.6418 69.4629 173.4577 5 N 4.7189 7.4499 117.2907 50.4695 41.1345 172.7324 6 P 4.3231 0.0000 0.0000 65.4301 31.7651 180.5261 7 V 3.7088 7.8917 116.7002 66.0885 31.6017 177.8605 8 A 4.0258 8.5673 120.4120 54.8505 18.0481 179.5137 9 A 3.9070 8.0380 119.4181 55.1905 18.4600 179.7540 10 W 4.2968 8.4369 127.0321 60.3324 30.7697 177.9304 11 K 3.6044 8.2782 119.5229 59.5235 31.5739 178.4776 12 A 3.9571 7.8981 120.8174 55.1593 18.1858 179.6925 13 L 3.8640 7.4577 117.5438 57.5526 41.6932 179.4986 14 K 3.5069 7.3419 119.6885 59.4774 32.1069 178.7372 15 E 4.2002 8.1253 118.9353 59.2448 29.3360 179.5906 16 G 4.0961 8.0440 107.2392 47.4318 0.0000 175.3453 17 N 4.8856 8.4668 121.1107 55.8388 38.9028 176.7231 18 E 3.9543 8.2324 120.2442 59.5317 29.4895 179.6369 19 R 3.9316 8.0213 117.8854 58.9519 30.1395 178.6899 20 F 4.1924 8.2543 120.5121 61.5295 39.1935 177.3838 21 V 3.2411 7.8375 116.2305 65.7865 31.3817 177.4868 22 A 4.1309 7.8143 119.2405 52.6876 18.3124 177.5868 23 G 3.7161 8.1008 105.3653 46.4697 0.0000 174.7814 24 R 4.6247 7.8814 113.2066 53.4543 29.2806 172.6009 25 P 4.6457 0.0000 0.0000 63.2833 32.7754 177.6919 26 Q 4.0852 9.0964 120.8802 58.2358 29.7807 176.3413 27 H 5.2740 8.5293 113.8532 52.2603 28.9964 171.4787 28 P 4.5064 0.0000 0.0000 64.3080 32.1866 177.6197 29 S 3.4693 9.4727 118.8757 60.2103 60.2563 172.0624 30 Q 3.6389 8.4683 111.8323 55.5088 26.5493 175.9557 31 S 3.7579 7.1231 111.8713 60.0090 63.0123 175.1706 *42 Q 4.4502 7.5386 121.8111 55.4439 30.2995 175.0097 43 K 3.9317 8.5351 116.9792 56.8345 32.4534 175.3249 44 P 4.8146 0.0000 0.0000 62.3394 32.0580 176.8856 45 T 4.2619 8.6932 118.9451 66.3068 69.0952 174.9448 46 A 4.8538 7.7116 120.6095 50.3991 23.2386 175.2817 47 V 4.6242 8.7752 120.7599 62.2627 33.3438 174.8402 48 I 4.9049 8.9772 129.0966 59.6899 39.6308 174.3828 49 F 5.4712 9.6505 131.2677 57.1044 40.6493 174.5686 50 G 4.4140 9.0766 114.0892 44.3567 0.0000 169.5654 51 C 4.9002 8.1693 118.9916 57.6904 32.6646 174.7302 52 A 4.0423 8.5653 128.8960 54.7174 18.1580 178.0214 53 D 4.7343 7.8742 113.2636 53.0255 39.8737 176.6056 54 S 3.9941 7.5843 114.6102 59.2585 62.6510 174.3118 55 R 4.4933 8.5279 123.4886 56.3880 30.8353 176.9262 56 V 4.4403 7.4166 116.6498 59.2580 34.6465 175.0709 57 A 4.0349 8.4749 125.6423 51.8899 19.0985 178.3377 58 A 3.9851 8.7314 124.0558 55.3736 18.3779 180.0068 59 E 3.9993 8.1725 116.6135 59.4280 29.5694 179.5661 60 I 3.5834 7.4577 119.4689 64.3713 37.2823 178.2705 61 I 2.2032 7.1287 119.9815 63.1659 36.8145 177.3375 62 F 4.6130 7.7579 115.6859 56.1806 39.7821 174.9029 63 D 4.4391 7.2991 119.1349 55.5489 39.2682 172.5171 64 Q 4.7575 8.2842 119.4467 54.1561 32.3965 176.9128 65 G 4.3481 8.1864 109.6023 44.2453 0.0000 172.3626 66 L 4.2262 8.3094 120.9509 55.7551 42.1567 177.4567 67 G 4.0208 8.9704 111.7676 45.4885 0.0000 174.6825 68 D 4.5101 7.7163 119.7167 56.3860 41.1458 175.8934 69 M 5.2070 7.8463 117.4461 53.2846 35.2866 174.9351 70 F 4.7239 9.2120 125.8787 56.6741 41.3806 174.3796 71 V 4.8097 8.0841 126.4468 61.2070 33.4471 174.4803 72 V 4.4643 8.7749 128.4285 61.3587 33.7515 174.7332 73 R 5.7586 8.7830 125.4304 54.2591 34.0227 174.2911 74 T 4.8694 8.5017 112.0658 59.4423 73.3108 172.7090 75 A 4.1193 8.6322 124.1680 52.5662 19.2792 178.1703 76 G 3.7953 9.1423 110.6436 46.5257 0.0000 172.8388 77 H 3.5305 8.1845 112.7816 56.0758 26.3357 175.5255 78 V 3.9686 7.5237 111.9628 61.4361 31.9413 175.8608 79 I 4.5980 8.3840 124.1063 59.5605 39.5024 174.6296 80 D 5.0088 8.1832 123.4040 51.0697 42.6519 175.8046 81 S 4.0877 8.7691 113.3143 62.1153 62.6154 176.6291 82 A 3.9774 8.0102 122.9586 54.8077 18.3367 179.6622 83 V 3.4302 8.1741 116.8461 66.0176 31.5581 177.9806 84 L 3.9443 8.0508 120.1861 58.2250 41.8803 179.1564 85 G 3.6405 8.3996 105.9078 47.7937 0.0000 175.7749 86 S 4.2800 8.1561 117.3213 61.7249 62.9588 176.9213 87 I 3.7875 7.6752 122.1722 64.3292 36.7517 178.1468 88 E 3.9034 8.5315 120.5861 59.2421 29.3818 178.1561 89 Y 3.9658 8.4213 119.7906 60.7025 38.8647 178.0713 90 A 3.2666 7.5421 121.1943 54.7327 18.1332 179.8773 91 V 3.4070 7.5316 116.9175 66.0573 31.4417 178.1987 92 T 3.9586 7.8278 108.3405 63.8094 69.2181 176.6567 93 V 3.6916 7.3401 119.7821 64.7878 31.9902 177.2595 94 L 4.1711 7.1927 114.4747 53.6559 42.0373 176.0809 95 N 4.4347 7.8469 114.1134 52.8152 36.2168 174.3927 96 V 3.6273 7.5670 117.9086 62.6341 32.1002 173.7855 97 P 4.8426 0.0000 0.0000 63.1624 32.8425 174.8342 98 L 5.0532 7.5820 122.8771 54.0856 45.7856 173.8918 99 I 4.8621 8.7335 126.9829 59.5241 40.0501 174.6158 100 V 4.6743 8.9209 127.1643 61.0694 33.9410 174.6019 101 V 4.5060 9.0180 130.0384 62.3059 32.4819 174.4695 102 L 5.1293 9.0633 131.9381 53.6417 43.5920 176.0676 103 G 4.3437 9.3399 114.8396 45.4749 0.0000 171.0011 104 H 5.0281 9.0411 114.3192 53.7806 31.5457 173.3400 105 D 4.4877 8.1893 119.0202 53.4710 40.2673 175.7680 106 S 3.5574 8.6044 114.1512 59.6070 61.3095 173.8786 107 C 4.2169 7.6693 119.6623 59.1842 32.4278 172.8381 108 G 3.6103 8.8313 115.5409 47.6835 0.0000 174.9090 109 A 3.9833 8.2350 123.1278 55.0380 18.4096 179.9038 110 V 3.4840 7.7074 116.2931 66.1196 31.7013 177.6072 111 N 4.3061 8.1431 116.2190 56.5475 38.7363 176.7470 112 A 3.9827 8.3395 122.3363 54.9834 18.5577 179.4737 113 A 3.8852 8.0059 119.4140 55.1060 18.5456 179.6413 114 L 3.7089 7.9930 118.6781 58.0769 42.0127 178.9946 115 A 3.9609 8.0514 120.5320 55.2387 18.4049 179.5361 116 A 3.9338 7.9816 119.2091 55.1338 18.1531 180.0329 117 I 3.6014 7.4171 117.5160 64.4219 37.2637 177.4444 118 N 4.3578 7.6329 116.2670 57.0422 38.5591 175.9403 119 D 4.6222 8.0223 118.2667 53.9846 40.9280 177.8870 120 G 4.3641 7.8068 106.5176 46.1423 0.0000 173.5155 121 T 4.6780 7.2767 113.7889 61.6891 72.6562 173.5389 122 L 4.4889 8.1352 123.7536 52.6778 43.1397 174.9095 123 P 4.4429 0.0000 0.0000 62.5600 31.8340 175.4674 124 G 3.9142 8.3714 107.6882 44.6024 0.0000 174.1254 125 G 3.9258 8.1974 107.6162 47.2126 0.0000 174.3372 126 Y 4.7253 8.3332 116.2487 58.4686 38.7847 177.5580 127 V 3.6536 7.8238 119.6976 65.6248 31.4228 177.3396 128 R 3.8585 7.6461 117.9649 59.8191 29.9558 178.1911 129 D 4.8335 7.7856 119.5951 56.5932 40.7143 179.1042 130 V 3.6083 7.6941 118.4652 66.0873 31.7591 178.1768 131 V 3.6345 7.7866 118.2364 65.7653 31.2600 177.5037 132 E 4.0572 8.6754 117.0679 58.3711 29.3461 178.4344 133 R 4.3153 7.7722 117.8077 57.2413 30.8772 177.8082 134 V 3.8501 7.5024 117.2502 64.7155 32.0300 177.3411 135 A 3.9029 8.2448 121.0573 54.7414 18.1569 177.6227 136 P 4.2189 0.0000 0.0000 66.0796 31.2657 178.9552 137 S 4.2331 7.9391 114.0340 61.4225 62.6447 176.8770 138 V 3.4416 7.6042 120.6405 65.7569 31.2657 177.9583 139 L 3.9682 7.9354 118.7987 57.7397 41.3898 179.4386 140 L 4.1342 8.1086 119.1404 57.7273 41.4943 179.7981 141 G 3.8711 8.2390 105.6892 48.0578 0.0000 176.0294 142 R 4.2682 8.6218 121.0224 58.9930 29.8710 178.9888 143 R 3.9815 7.8944 117.6991 59.1045 30.0584 177.2735 144 D 4.8002 7.6888 115.7054 53.8715 41.1244 177.2923 145 G 3.9784 7.9409 108.1929 45.0198 0.0000 174.3531 146 L 4.0880 7.6621 119.6765 54.7966 41.9894 177.2749 147 S 4.7389 8.5099 112.2530 56.8648 65.6951 174.6931 148 R 4.6779 7.2797 120.3258 53.9072 33.8821 176.4116 149 V 3.8415 8.3691 121.1887 66.7704 31.5273 178.3806 150 D 4.3557 8.0159 117.7486 57.1637 40.6596 178.4963 151 E 3.8705 7.9033 118.8722 59.3845 29.5210 179.1703 152 F 4.3999 7.8025 117.8428 60.4423 38.8498 177.4230 153 E 3.9928 8.4883 119.1633 59.2612 29.6007 178.5255 154 Q 3.9425 8.1159 119.6886 59.3168 29.0583 178.4139 155 R 3.9666 8.0667 119.7057 59.6457 30.1281 178.0097 156 H 4.3460 8.3768 119.5900 58.3393 29.8301 177.2845 157 V 3.4369 8.0916 120.6144 66.2381 31.2203 177.3699 158 H 4.3648 7.9561 118.6654 58.9854 29.7168 177.1170 159 E 3.9736 8.3916 120.1684 59.4732 29.2591 179.4868 160 T 3.9504 7.9836 116.1420 66.2827 68.4233 176.9942 161 V 3.5868 7.8392 120.1052 66.0112 31.6046 177.8864 162 A 3.9864 7.7078 120.2254 55.2631 18.1321 179.7332 163 I 3.6874 7.7212 118.2494 64.4749 36.7751 178.6092 164 L 3.9963 8.0198 119.8228 58.2086 41.2325 179.6059 165 M 4.0790 7.7335 116.9506 58.1978 31.9329 178.3672 166 A 4.1546 7.9131 120.2841 54.8312 18.7500 179.3301 167 R 4.4037 8.0745 115.0019 56.3742 30.7561 176.4155 168 S 4.5699 7.5380 113.1427 55.6757 63.6560 174.4036 169 S 4.2473 8.8970 125.7636 60.8239 62.3951 176.1020 170 A 3.9497 7.9166 124.0126 54.8901 18.1424 179.5719 171 I 3.6821 7.6484 118.0770 64.5850 36.9495 178.7755 172 S 4.1308 8.0682 115.0791 61.6490 62.6905 176.3604 173 E 3.9717 8.4469 122.3322 59.1543 29.2914 179.5482 174 R 3.9565 7.7862 117.9217 58.9322 29.9635 179.1491 175 I 4.3099 8.0484 120.9443 63.9831 36.9291 178.3489 176 A 4.1071 7.9743 120.4099 54.9252 18.2987 179.3468 177 G 3.7251 8.0155 102.4126 45.8019 0.0000 174.7736 178 G 3.9947 8.0237 109.6966 44.9835 0.0000 173.9885 179 S 4.6958 7.6561 112.4336 58.0898 64.3046 174.0382 180 L 5.0886 7.7150 122.2518 53.5302 45.7348 174.5582 181 A 5.2003 8.8042 125.7761 50.1153 23.2947 174.5356 182 I 5.0071 8.4753 118.8238 59.3139 41.3848 174.7673 183 V 4.7622 8.9645 121.9407 59.4180 35.7850 174.5419 184 G 4.4319 8.6776 110.6038 44.5961 0.0000 172.6556 185 V 5.2724 8.9841 124.9717 61.4005 35.5483 174.1812 186 T 5.4650 9.0411 116.3422 60.2163 72.3080 172.0916 187 Y 5.3844 8.3079 118.9576 54.5726 42.4229 173.3121 188 Q 4.6120 8.5637 120.8876 54.1070 30.8441 175.8199 189 L 4.2097 9.2416 129.2390 58.3996 42.2425 178.0737 190 D 4.5627 8.0619 114.6319 54.1275 39.8943 175.9065 191 D 4.6315 7.8662 117.8741 53.3852 43.2194 176.7425 192 G 4.1743 8.6224 106.4534 45.1298 0.0000 173.7518 193 R 4.1149 8.1702 120.0066 55.9754 30.5727 175.3035 194 A 4.7916 9.0402 125.7332 51.2422 19.6004 176.6955 195 V 4.2822 9.1858 123.9980 61.7708 33.2795 174.5886 196 L 4.5630 8.7558 130.5415 55.0046 42.4083 174.4487 197 R 4.5654 9.1785 123.6181 56.8358 31.7003 175.2939 198 D 4.9775 7.7364 118.1112 52.9832 44.3831 175.1632 199 H 4.7980 8.1526 117.1570 55.0364 30.7925 172.7824 200 I 4.2544 8.9677 126.2986 61.7593 39.1972 175.5267 201 G 3.8942 8.9607 112.8650 44.2025 0.0000 171.8550 202 N 4.5729 8.4611 117.9695 52.7908 38.9409 174.3631 203 I 4.3934 8.2565 117.9511 60.2623 38.0657 175.6126 204 G 3.9744 8.3047 107.3760 47.0476 0.0000 175.5131 205 E 4.1884 8.3987 121.5097 58.8177 29.8445 177.0561 206 E 4.1415 8.3186 121.6651 56.9235 29.5064 176.7606 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 4 T 8.16 4.30 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 5 N 7.45 4.72 0.00 3.07 2.85 0.00 0.00 6.25 6.88 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 6 P 0.00 4.32 0.00 2.41 2.23 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 7 V 7.89 3.71 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 1.10 0.00 0.00 1.04 0.00 0.00 8 A 8.57 4.03 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 9 A 8.04 3.91 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 10 W 8.44 4.30 0.00 3.35 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 11 K 8.28 3.60 0.00 1.90 2.02 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.42 7.81 12 A 7.90 3.96 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 13 L 7.46 3.86 0.00 1.26 1.22 0.50 0.73 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 14 K 7.34 3.51 0.00 0.79 1.23 0.00 1.61 0.00 0.00 1.51 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.25 1.27 7.81 15 E 8.13 4.20 0.00 2.01 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 2.27 2.36 0.00 16 G 8.04 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 17 N 8.47 4.89 0.00 2.65 2.84 0.00 0.00 6.78 8.18 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 18 E 8.23 3.95 0.00 2.23 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 2.33 2.47 0.00 19 R 8.02 3.93 0.00 2.08 2.19 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 20 F 8.25 4.19 0.00 3.02 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 21 V 7.84 3.24 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 0.81 0.00 0.00 1.04 0.00 0.00 22 A 7.81 4.13 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 23 G 8.10 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.88 4.62 0.00 1.85 1.87 0.00 3.06 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 25 P 0.00 4.65 0.00 2.25 2.18 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 26 Q 9.10 4.09 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.30 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 27 H 8.53 5.27 0.00 3.30 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.51 0.00 2.23 2.21 0.00 3.97 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 29 S 9.47 3.47 0.00 4.00 3.95 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 30 Q 8.47 3.64 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 5.90 0.00 0.00 0.00 0.00 0.00 2.50 2.26 0.00 31 S 7.12 3.76 0.00 4.07 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 *42 Q 7.54 4.45 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 43 K 8.54 3.93 0.00 1.71 1.75 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.52 7.81 44 P 0.00 4.81 0.00 2.09 2.08 0.00 3.70 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 45 T 8.69 4.26 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 1.21 0.00 0.00 46 A 7.71 4.85 1.18 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 47 V 8.78 4.62 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 1.13 0.00 0.00 0.88 0.00 0.00 48 I 8.98 4.90 1.97 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 1.17 0.86 1.06 0.00 0.00 49 F 9.65 5.47 0.00 3.04 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 50 G 9.08 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 0.00 0.00 0.00 0.00 51 C 8.17 4.90 0.00 2.86 2.66 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 0.00 0.00 0.00 0.00 69 M 7.85 5.21 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 70 F 9.21 4.72 0.00 3.18 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 71 V 8.08 4.81 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 0.87 0.00 0.00 0.99 0.00 0.00 72 V 8.77 4.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.01 0.00 0.00 73 R 8.78 5.76 0.00 1.70 1.78 0.00 3.26 0.00 0.00 4.01 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 74 T 8.50 4.87 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 1.36 0.00 0.00 75 A 8.63 4.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 9.14 3.80 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 0.63 0.00 0.00 0.82 0.00 0.00 94 L 7.19 4.17 0.00 1.52 1.51 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.85 4.43 0.00 2.78 2.82 0.00 0.00 7.23 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.57 3.63 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 0.78 0.00 0.00 0.80 0.00 0.00 97 P 0.00 4.84 0.00 2.15 2.24 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 98 L 7.58 5.05 0.00 1.77 1.51 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.73 4.86 1.88 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 1.12 0.65 0.98 0.00 0.00 100 V 8.92 4.67 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 1.13 0.00 0.00 0.95 0.00 0.00 101 V 9.02 4.51 2.12 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 0.00 110 V 7.71 3.48 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 1.07 0.00 0.00 0.94 0.00 0.00 111 N 8.14 4.31 0.00 2.98 2.91 0.00 0.00 7.11 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 0.00 112 A 8.34 3.98 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 0.00 113 A 8.01 3.89 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 0.00 114 L 7.99 3.71 0.00 1.76 1.81 0.64 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.05 3.96 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 0.00 116 A 7.98 3.93 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 0.00 117 I 7.42 3.60 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.58 0.85 0.00 0.00 118 N 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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 0.00 0.00 0.00 127 V 7.82 3.65 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 1.05 0.00 0.00 0.97 0.00 0.00 128 R 7.65 3.86 0.00 2.11 1.99 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 129 D 7.79 4.83 0.00 2.96 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 0.00 130 V 7.69 3.61 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 1.05 0.00 0.00 0.98 0.00 0.00 131 V 7.79 3.63 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 1.05 0.00 0.00 0.92 0.00 0.00 132 E 8.68 4.06 0.00 2.21 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 2.56 2.36 0.00 133 R 7.77 4.32 0.00 2.00 2.09 0.00 3.39 0.00 0.00 3.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 134 V 7.50 3.85 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 0.87 0.00 0.00 0.97 0.00 0.00 135 A 8.24 3.90 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 0.00 136 P 0.00 4.22 0.00 2.19 2.14 0.00 3.59 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 2.13 2.19 0.00 137 S 7.94 4.23 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.60 3.44 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 0.42 0.00 0.00 0.54 0.00 0.00 139 L 7.94 3.97 0.00 1.88 1.69 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.11 4.13 0.00 1.91 1.77 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.24 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 0.00 142 R 8.62 4.27 0.00 2.06 2.05 0.00 3.15 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 143 R 7.89 3.98 0.00 1.85 2.27 0.00 3.27 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 144 D 7.69 4.80 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.94 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 0.00 0.00 0.00 0.00 146 L 7.66 4.09 0.00 1.44 0.96 0.90 0.58 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 0.00 147 S 8.51 4.74 0.00 3.96 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 0.00 148 R 7.28 4.68 0.00 1.79 1.77 0.00 3.09 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 149 V 8.37 3.84 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 1.08 0.00 0.00 1.00 0.00 0.00 150 D 8.02 4.36 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 151 E 7.90 3.87 0.00 1.69 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 2.26 2.25 0.00 152 F 7.80 4.40 0.00 3.28 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 0.00 153 E 8.49 3.99 0.00 2.10 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 2.47 2.35 0.00 154 Q 8.12 3.94 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 155 R 8.07 3.97 0.00 2.04 2.19 0.00 3.29 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 156 H 8.38 4.35 0.00 3.42 3.47 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.09 3.44 2.21 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 0.93 0.00 0.00 0.87 0.00 0.00 158 H 7.96 4.36 0.00 3.29 3.52 0.00 5.88 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 0.00 159 E 8.39 3.97 0.00 2.15 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 2.59 2.54 0.00 160 T 7.98 3.95 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 1.35 0.00 0.00 161 V 7.84 3.59 2.21 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 0.99 0.00 0.00 0.97 0.00 0.00 162 A 7.71 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.72 3.69 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.94 0.00 0.00 164 L 8.02 4.00 0.00 1.88 1.72 1.02 0.63 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 0.00 165 M 7.73 4.08 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 166 A 7.91 4.15 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 0.00 167 R 8.07 4.40 0.00 1.86 2.00 0.00 3.28 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 168 S 7.54 4.57 0.00 3.80 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 0.00 169 S 8.90 4.25 0.00 4.08 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 0.00 170 A 7.92 3.95 1.31 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 0.00 0.00 0.00 171 I 7.65 3.68 1.99 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 1.54 0.49 0.89 0.00 0.00 172 S 8.07 4.13 0.00 4.05 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 0.00 173 E 8.45 3.97 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 174 R 7.79 3.96 0.00 1.95 1.94 0.00 3.28 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 175 I 8.05 4.31 2.00 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 1.50 2.15 0.89 0.00 0.00 176 A 7.97 4.11 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 0.00 177 G 8.02 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 0.00 0.00 0.00 178 G 8.02 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 0.00 179 S 7.66 4.70 0.00 3.89 3.95 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 0.00 180 L 7.72 5.09 0.00 1.69 1.33 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.80 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.48 5.01 1.86 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 1.22 1.47 0.89 0.00 0.00 183 V 8.96 4.76 1.74 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 0.17 0.00 0.00 0.74 0.00 0.00 184 G 8.68 4.43 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 0.00 185 V 8.98 5.27 2.35 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 1.23 0.00 0.00 1.13 0.00 0.00 186 T 9.04 5.47 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 1.23 0.00 0.00 187 Y 8.31 5.38 0.00 3.19 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Q 8.56 4.61 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 189 L 9.24 4.21 0.00 2.01 1.74 1.09 0.97 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 0.00 190 D 8.06 4.56 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 D 7.87 4.63 0.00 2.66 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 0.00 192 G 8.62 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 0.00 0.00 0.00 0.00 193 R 8.17 4.11 0.00 2.14 1.93 0.00 3.15 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 194 A 9.04 4.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 V 9.19 4.28 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 0.98 0.00 0.00 1.06 0.00 0.00 196 L 8.76 4.56 0.00 1.96 1.72 0.62 0.93 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 0.00 197 R 9.18 4.57 0.00 1.80 1.85 0.00 3.35 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 198 D 7.74 4.98 0.00 2.62 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 0.00 199 H 8.15 4.80 0.00 2.93 3.06 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 8.97 4.25 1.84 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 1.14 0.74 0.89 0.00 0.00 201 G 8.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 N 8.46 4.57 0.00 2.69 2.75 0.00 0.00 6.77 7.94 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 0.00 203 I 8.26 4.39 1.79 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.78 0.00 0.00 204 G 8.30 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 0.00 0.00 0.00 205 E 8.40 4.19 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 2.42 2.25 0.00 206 E 8.32 4.14 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 2.33 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.