NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2210 8.3149 121.7886 55.7756 33.2917 175.5787 5 E 3.9822 8.6480 125.5749 55.7046 30.1032 174.3016 6 Y 3.9789 8.3398 121.6151 56.5904 40.5897 174.2633 7 E 4.1942 7.2187 127.5458 54.6609 29.6658 175.0280 8 Y 5.2027 8.1685 123.9953 57.2929 39.1805 176.1908 9 L 4.2506 9.6827 122.8586 57.4227 41.9138 178.1082 10 V 4.6203 7.4072 108.6639 58.2916 35.7881 173.2865 11 P 4.3694 0.0000 0.0000 62.4387 31.8237 175.9011 12 P 4.0346 0.0000 0.0000 66.3220 30.6830 178.3924 13 D 4.3581 8.0652 117.9015 57.2068 40.4531 178.2208 14 D 4.2893 7.9785 118.8932 57.4560 41.1889 178.0548 15 Y 4.2753 7.7346 116.5592 61.3364 38.0950 178.6097 16 L 4.1686 8.0792 119.4339 57.8071 41.5078 179.2953 17 A 4.1702 8.3449 119.3876 53.6421 18.4043 178.2005 18 A 4.5778 7.9426 117.5608 50.8905 20.2132 177.3031 19 G 3.8351 7.9175 105.6312 45.9929 0.0000 176.4235 20 V 3.7351 7.8207 115.0575 63.8166 31.8880 177.7609 21 H 4.3760 8.1350 114.6118 57.1045 29.1153 174.5366 22 I 4.2184 7.2809 121.0815 60.9187 36.6319 175.7704 23 G 4.2126 8.4818 120.0362 45.8144 0.0000 169.9551 24 T 4.9090 7.9356 111.6142 60.7223 72.0102 175.4734 25 Q 4.8605 8.7603 119.6458 55.9542 29.2906 175.4464 26 I 4.8433 7.6639 118.6168 59.3335 40.2684 174.6865 27 K 5.2051 8.5155 120.7002 54.8289 35.5377 174.9043 28 T 4.6526 7.9210 108.6486 59.1576 71.6597 174.3036 29 G 3.7408 8.6710 110.8054 48.9828 0.0000 175.8277 30 D 4.3712 7.2837 117.7047 54.5123 40.2663 177.7889 *32 K 4.2915 8.2191 120.9845 56.3215 33.8233 178.2443 33 K 3.9080 7.7532 115.6546 58.4969 32.7796 177.2116 34 F 4.8205 7.6593 117.1769 57.7343 40.4498 174.9188 35 I 4.5090 7.3075 121.9305 60.9052 36.7294 176.0296 36 F 4.5869 9.7585 131.5799 60.7867 40.0687 174.9136 37 K 4.3340 7.6051 115.6080 56.7182 35.2001 173.9832 38 V 4.6525 8.2445 119.9835 59.5059 33.1304 176.1439 39 R 4.1438 8.6835 124.2909 55.6352 30.4906 177.8056 40 Q 3.9770 8.4850 117.9703 58.7265 28.8090 177.4109 41 D 4.2954 7.7391 118.2318 57.1827 41.3614 176.7602 42 G 3.9302 8.1247 106.2872 45.1238 0.0000 173.1704 43 L 4.4896 7.6854 120.9458 54.6330 42.9421 176.2073 44 Y 4.6342 8.9306 122.0725 57.7745 39.8171 174.7581 45 V 4.9061 9.0188 122.7988 61.0583 33.8644 175.0263 46 L 4.6107 8.9989 129.0347 54.6801 42.8001 177.0521 47 D 4.3919 9.3845 123.0378 53.7445 41.1679 176.6039 48 I 3.3717 8.4293 128.5688 64.5666 37.0630 178.3772 49 R 3.4253 8.0987 118.4978 59.1576 29.9697 179.3609 50 K 4.0493 7.8085 117.6040 58.9664 32.0662 179.2003 51 L 3.7861 7.8009 120.9778 57.9351 42.0093 178.1701 52 D 4.5849 8.1116 119.6067 56.8898 41.1161 178.3573 53 E 4.1509 8.1494 117.3718 59.5520 29.6339 179.2367 54 R 3.9189 8.0445 118.7549 58.8286 30.0145 179.0886 55 I 3.7619 7.8496 120.0426 64.2546 37.0957 178.5179 56 R 3.9335 7.9386 118.9789 59.2931 29.8480 179.3514 57 V 3.5884 8.1149 117.9069 65.9852 31.5776 177.8955 58 A 4.0508 8.5262 120.6685 54.9971 18.1623 179.4395 59 A 3.9238 8.4856 119.6589 55.4002 18.3542 179.8159 60 K 3.9295 7.8904 116.6811 59.4256 32.6160 178.6050 61 F 4.4691 8.6175 121.2719 61.5126 39.5795 177.3178 62 L 3.9502 8.5846 118.9206 57.1636 41.1842 179.1409 63 S 4.3778 7.9657 112.9534 60.1648 63.1951 175.6345 64 R 4.1514 7.6700 120.2141 56.4410 30.3230 175.7518 65 Y 4.4281 6.9609 116.0619 55.9158 39.9059 174.8577 66 E 4.1223 8.6851 122.6669 55.6782 30.4875 175.3631 67 P 4.2289 0.0000 0.0000 66.0420 31.4526 178.2094 68 S 4.2075 8.0370 109.4846 60.1895 62.5406 174.3621 69 K 4.3683 8.6460 119.2205 57.0394 32.3278 175.4953 70 I 4.7204 7.5292 121.2117 59.3300 39.7186 174.0813 71 L 5.1873 8.7138 128.9361 53.3296 44.5713 174.9598 72 L 4.9960 8.7727 126.9931 53.7232 43.7440 175.9950 73 V 4.9732 8.7566 122.5688 61.1852 35.1279 174.5029 74 A 4.5714 8.6623 127.7791 51.6801 21.8040 176.7501 75 A 4.2453 8.9953 126.7813 54.4875 19.7337 178.0940 76 R 3.8240 7.9829 116.4118 56.7379 30.8394 176.3696 77 Q 3.4408 8.8876 126.5537 59.5674 28.9106 177.7633 78 Y 4.6683 7.7671 111.0978 59.2730 38.1080 176.4342 79 A 4.5950 7.9263 121.8422 52.7096 19.8956 178.6814 80 H 4.0227 7.9121 115.0693 58.7559 28.6145 177.4745 81 K 3.7559 7.9066 119.1019 59.1240 32.1953 176.2631 82 P 4.4304 0.0000 0.0000 65.7822 31.5885 178.3698 83 V 3.1759 7.3245 116.7692 65.6212 31.2248 178.2013 84 Q 3.1960 7.4509 115.7186 55.9477 28.3260 177.9448 *86 F 4.8576 8.0092 123.7797 58.5409 41.4003 177.0806 87 S 4.3494 8.2106 116.5232 61.6064 62.2784 176.8089 88 K 3.9669 7.9122 120.3723 59.4395 31.8620 179.3464 89 V 3.8619 7.5816 116.6224 66.2477 31.8226 177.8712 90 V 3.7270 7.6886 117.0427 63.8176 31.3434 176.9026 91 G 3.9524 8.4743 105.7517 45.3144 0.0000 173.3008 92 S 5.3668 7.7585 113.1664 57.1602 64.5683 173.1405 93 D 4.9296 9.2359 121.4749 54.4205 42.6594 174.2837 94 Y 5.3860 7.7030 117.3787 56.3516 40.8462 174.0647 95 I 4.5671 8.9123 121.3471 60.1496 40.9208 174.7147 96 V 4.6160 8.8298 120.1707 60.7022 34.3149 177.8117 97 G 3.7579 8.2868 109.9518 44.5420 0.0000 172.6761 98 R 3.9155 8.3829 120.4366 56.2660 30.5121 176.7903 99 F 4.4128 8.7750 128.0224 56.9259 39.7966 174.9615 100 I 3.6921 7.8099 129.8531 60.4035 37.0366 173.9425 101 P 4.5817 0.0000 0.0000 64.5544 31.5769 176.8098 102 G 4.2240 10.2521 111.7034 45.0489 0.0000 175.2795 103 T 3.5033 7.7700 117.0448 65.9798 68.4300 175.4285 104 L 4.6290 8.2920 118.3350 54.6357 42.6453 176.8463 105 T 4.5733 7.9168 107.5124 60.9725 70.6073 172.5242 106 N 4.8072 8.7877 121.5505 50.8971 38.7724 173.9787 107 P 2.9700 0.0000 0.0000 61.5006 30.1412 176.9055 *109 L 4.0778 7.4903 117.5623 55.1464 43.2066 178.6797 110 S 4.0891 8.7520 116.7753 61.2593 62.3740 174.6535 111 E 4.3513 7.9694 116.9934 56.0022 29.4864 175.6058 112 Y 4.9554 7.5157 120.1227 57.7408 39.2539 175.6221 113 R 4.4210 6.9475 122.5938 55.1162 34.7755 174.8996 114 E 4.4814 7.9632 116.9984 54.2832 29.7621 173.2749 115 P 4.5709 0.0000 0.0000 62.7409 32.8524 176.6126 116 E 4.8262 9.1563 117.5083 56.4471 31.2066 176.9977 117 V 4.6167 7.3910 118.7119 60.1554 35.0911 173.3433 118 V 4.8802 8.6536 123.4409 61.0608 34.5091 173.7864 119 F 5.6066 9.3884 130.5784 56.9676 41.5781 174.3582 120 V 5.1694 8.8192 119.9430 59.1211 33.8276 176.7565 121 N 4.4278 8.8013 121.1810 56.1343 40.0663 175.0367 122 D 4.6492 8.4403 119.0846 52.2903 43.7340 173.8964 123 P 4.4979 0.0000 0.0000 65.0721 31.6537 177.4525 124 A 4.2470 8.6588 122.3342 54.8216 19.0233 178.8360 125 I 3.9351 7.9799 114.9850 63.8682 37.8482 177.1195 126 D 4.8953 8.3689 121.3159 53.8651 41.4861 178.9361 127 K 4.0517 7.9344 121.4334 59.9866 32.8131 177.5690 128 Q 3.9359 8.0081 120.1587 59.0529 29.0310 178.0896 129 A 3.3528 7.2870 121.2008 54.8247 18.4473 179.5800 130 V 3.5053 7.5030 116.5056 66.0762 31.4380 178.4891 131 S 4.0778 8.3800 115.2591 61.8218 62.7889 176.4873 132 E 3.9976 8.2877 120.9418 59.4270 29.1453 179.4441 133 A 4.0686 8.2480 121.2208 55.2495 18.5372 179.6593 134 T 4.0984 7.9364 107.8221 64.3910 68.8405 177.0808 135 A 4.1020 8.1309 123.5436 54.9231 18.5201 179.2336 136 V 3.9102 7.7853 115.1745 63.7694 31.7261 177.0598 137 G 3.9540 7.5120 104.7242 45.3153 0.0000 172.8128 138 I 4.2982 7.9366 121.3874 59.4463 37.8425 174.4203 139 P 4.4503 0.0000 0.0000 63.2368 32.7008 175.1400 140 V 4.8203 8.5355 121.6171 61.2846 34.1865 174.1502 141 V 4.7390 9.2021 128.3759 61.4927 33.4217 174.4246 142 A 5.3278 8.8626 128.4288 50.3313 23.0348 174.8351 143 L 4.7162 8.5169 121.5200 54.5063 42.5978 176.2995 144 C 4.9899 9.1410 122.2523 57.9921 31.2087 173.7045 145 D 5.3437 9.5941 124.0229 51.9288 42.9047 177.1839 146 S 4.2174 8.7624 114.8664 61.2610 62.8087 175.9554 147 N 4.4885 8.0166 115.9559 54.0277 37.6907 174.9111 148 N 4.6281 7.6952 116.8279 52.8218 39.5152 174.1088 149 S 4.7037 8.3493 115.2914 57.0611 63.8490 173.7998 150 S 4.7109 8.6774 121.1056 58.1956 64.3928 175.9715 151 A 3.6097 7.9617 117.6105 57.3652 17.4043 179.1058 152 D 4.6855 8.9224 117.5497 53.5426 41.9766 176.9336 153 V 4.3468 7.2900 118.9647 61.2883 33.2456 174.8496 154 D 4.5904 8.7673 127.4026 56.1440 41.8579 176.5982 155 L 4.3393 7.5823 120.7000 53.7328 44.9173 174.5884 156 V 4.3991 8.3774 126.8614 61.8520 33.1607 175.3648 157 I 4.2890 8.3073 128.3515 58.4663 39.5106 172.7624 158 P 4.6797 0.0000 0.0000 63.1764 31.6400 175.5780 159 T 4.3248 8.6224 118.0950 60.9049 71.8392 171.3946 160 N 4.6893 8.8567 125.0717 53.1351 39.3064 174.5568 161 N 5.0753 8.9166 124.5769 52.7294 38.1594 175.2412 162 K 4.4396 8.7566 119.3730 58.7825 34.3117 178.3027 163 G 3.7943 8.0615 104.6160 44.0881 0.0000 173.9929 164 R 3.5073 8.0328 122.1499 59.4841 30.0804 179.3467 165 R 3.8689 7.7197 116.8746 58.9237 30.3106 178.6533 166 A 4.0604 7.9505 120.1544 55.3339 18.4118 179.5703 167 L 4.0521 8.0824 117.1515 57.8280 41.8132 179.4955 168 A 4.2576 8.0714 120.7898 55.4484 18.3271 179.5992 169 I 3.7486 7.9165 117.1054 63.9477 38.0276 178.3579 170 V 3.6614 7.8318 118.7616 66.4502 31.4695 177.7874 171 Y 4.4350 8.1437 116.3362 60.5807 37.5773 178.6505 172 W 3.3267 8.1503 129.1552 60.3374 30.9043 178.1421 173 L 3.6031 8.6066 119.3412 57.5139 40.9728 179.7184 174 L 4.0089 8.2519 118.8081 57.7958 41.7151 179.3209 175 A 3.5820 8.2560 120.7427 54.9370 18.2530 179.5871 176 R 2.0000 7.6575 117.4890 58.8011 29.8319 178.4008 177 E 3.7108 7.7132 118.9629 59.0820 29.5221 178.7136 178 I 3.5756 7.5532 119.6295 64.2988 37.1874 178.1159 179 A 3.8950 7.6959 121.4198 55.0794 18.0754 179.4160 180 K 3.7486 8.0573 118.3692 59.7214 31.9494 178.9943 181 I 3.6584 7.6428 118.9440 64.5015 37.2368 178.4141 182 R 4.1173 8.0840 116.6430 56.7361 29.8803 177.8524 183 G 3.8777 7.5028 106.4036 45.6222 0.0000 173.5964 184 Q 4.1388 7.9254 120.9232 55.2062 29.6189 175.5602 185 D 4.4525 8.6650 125.1695 54.3053 41.3468 175.3783 186 F 4.8800 8.7924 125.9545 56.6937 41.2766 174.2442 187 T 4.2683 7.5336 120.8838 62.1026 69.1791 173.7325 188 Y 4.6092 6.5631 117.9167 58.0224 38.8777 174.6653 189 S 4.9293 9.2089 116.6608 56.3059 65.9325 175.4277 190 I 2.7484 7.2791 120.8747 64.2459 36.4322 178.4168 191 E 4.1914 7.3609 120.7791 58.9768 29.0285 179.1830 192 D 4.4807 7.8771 117.5241 56.8364 40.9249 177.9758 193 F 4.3918 8.2694 116.8193 57.5966 39.5815 176.2224 194 E 4.0834 7.5892 119.3572 55.8129 29.8654 176.5469 195 A 4.2348 8.3149 125.9874 51.7174 19.2619 177.1193 196 E 4.1577 8.5289 120.3330 56.1120 30.3034 177.1195 197 L 3.9688 9.2584 124.4839 59.1015 41.9338 177.1826 198 E 4.1379 7.7256 118.7350 56.4014 31.1908 175.3686 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 K 8.31 4.22 0.00 1.72 1.77 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.44 7.81 5 E 8.65 3.98 0.00 2.06 1.89 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 2.33 2.32 0.00 6 Y 8.34 3.98 0.00 2.78 2.43 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 7 E 7.22 4.19 0.00 1.67 1.56 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 2.13 2.15 0.00 8 Y 8.17 5.20 0.00 3.27 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.68 4.25 0.00 1.72 1.78 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.41 4.62 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 0.89 0.00 0.00 0.47 0.00 0.00 11 P 0.00 4.37 0.00 2.15 2.01 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 12 P 0.00 4.03 0.00 2.01 1.33 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 13 D 8.07 4.36 0.00 2.68 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 14 D 7.98 4.29 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.73 4.28 0.00 3.08 2.83 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 16 L 8.08 4.17 0.00 1.79 1.67 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.34 4.17 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 18 A 7.94 4.58 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 19 G 7.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.82 3.74 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 0.87 0.00 0.00 1.06 0.00 0.00 21 H 8.14 4.38 0.00 3.47 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.28 4.22 1.78 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 1.01 0.02 0.89 0.00 0.00 23 G 8.48 4.21 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 0.00 0.00 0.00 24 T 7.94 4.91 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 1.25 0.00 0.00 25 Q 8.76 4.86 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 26 I 7.66 4.84 1.93 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 1.42 0.68 0.94 0.00 0.00 27 K 8.52 5.21 0.00 1.32 0.74 0.00 0.61 0.00 0.00 1.27 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.85 1.09 7.81 28 T 7.92 4.65 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 1.23 0.00 0.00 29 G 8.67 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 30 D 7.28 4.37 0.00 2.60 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 *32 K 8.22 4.29 0.00 1.82 1.81 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 33 K 7.75 3.91 0.00 1.43 1.62 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.89 0.21 7.81 34 F 7.66 4.82 0.00 3.11 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 35 I 7.31 4.51 1.88 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 1.15 0.00 0.00 36 F 9.76 4.59 0.00 2.92 3.29 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 37 K 7.61 4.33 0.00 1.72 1.42 0.00 1.45 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.55 7.81 38 V 8.24 4.65 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 0.74 0.00 0.00 0.38 0.00 0.00 39 R 8.68 4.14 0.00 1.87 1.87 0.00 3.16 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 40 Q 8.48 3.98 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 41 D 7.74 4.30 0.00 2.66 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 42 G 8.12 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 43 L 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.11 4.58 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 4.15 0.00 2.36 2.43 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 2.50 2.41 0.00 54 R 8.04 3.92 0.00 1.92 1.93 0.00 3.26 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 55 I 7.85 3.76 2.15 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.83 0.97 0.00 0.00 56 R 7.94 3.93 0.00 2.14 2.01 0.00 3.23 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 57 V 8.11 3.59 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 1.07 0.00 0.00 0.97 0.00 0.00 58 A 8.53 4.05 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 59 A 8.49 3.92 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 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8.04 4.21 0.00 3.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.65 4.37 0.00 2.05 1.90 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.61 7.81 70 I 7.53 4.72 2.06 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 0.94 0.60 0.98 0.00 0.00 71 L 8.71 5.19 0.00 1.77 1.53 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.77 5.00 0.00 1.63 1.33 0.17 0.48 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 73 V 8.76 4.97 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 0.80 0.00 0.00 0.92 0.00 0.00 74 A 8.66 4.57 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 75 A 9.00 4.25 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 76 R 7.98 3.82 0.00 1.86 1.97 0.00 3.27 0.00 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0.00 0.00 0.00 0.00 1.51 2.22 0.00 *86 F 8.01 4.86 0.00 3.44 3.22 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 87 S 8.21 4.35 0.00 4.02 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 0.00 88 K 7.91 3.97 0.00 1.56 1.89 0.00 1.62 0.00 0.00 1.41 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 89 V 7.58 3.86 2.28 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 1.02 0.00 0.00 1.44 0.00 0.00 90 V 7.69 3.73 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 0.93 0.00 0.00 0.06 0.00 0.00 91 G 8.47 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 0.00 0.00 0.00 92 S 7.76 5.37 0.00 4.27 4.14 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 93 D 9.24 4.93 0.00 2.80 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 94 Y 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0.00 0.00 0.00 0.00 120 V 8.82 5.17 2.17 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 0.73 0.00 0.00 0.94 0.00 0.00 121 N 8.80 4.43 0.00 2.78 2.93 0.00 0.00 6.73 8.47 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 0.00 122 D 8.44 4.65 0.00 2.70 2.45 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 0.00 123 P 0.00 4.50 0.00 2.21 2.17 0.00 3.81 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 1.98 1.97 0.00 124 A 8.66 4.25 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 0.00 125 I 7.98 3.94 1.86 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 1.41 0.58 0.91 0.00 0.00 126 D 8.37 4.90 0.00 2.65 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 0.00 127 K 7.93 4.05 0.00 1.96 2.19 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.49 7.81 128 Q 8.01 3.94 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.73 2.95 0.00 129 A 7.29 3.35 0.42 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 0.00 130 V 7.50 3.51 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 1.01 0.00 0.00 0.91 0.00 0.00 131 S 8.38 4.08 0.00 4.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.29 4.00 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 133 A 8.25 4.07 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 0.00 134 T 7.94 4.10 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 1.24 0.00 0.00 135 A 8.13 4.10 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 0.00 136 V 7.79 3.91 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 0.91 0.00 0.00 1.07 0.00 0.00 137 G 7.51 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 0.00 0.00 0.00 138 I 7.94 4.30 1.91 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 1.32 0.63 0.96 0.00 0.00 139 P 0.00 4.45 0.00 2.28 2.32 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 140 V 8.54 4.82 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 0.96 0.00 0.00 0.97 0.00 0.00 141 V 9.20 4.74 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 0.47 0.00 0.00 1.00 0.00 0.00 142 A 8.86 5.33 1.23 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 0.00 0.00 143 L 8.52 4.72 0.00 1.85 1.60 0.64 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 144 C 9.14 4.99 0.00 2.68 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 0.00 145 D 9.59 5.34 0.00 2.90 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.76 4.22 0.00 3.96 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 0.00 147 N 8.02 4.49 0.00 2.85 3.01 0.00 0.00 6.05 8.04 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 0.00 148 N 7.70 4.63 0.00 2.91 2.78 0.00 0.00 6.81 7.66 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 0.00 149 S 8.35 4.70 0.00 3.82 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 0.00 150 S 8.68 4.71 0.00 4.09 4.11 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 0.00 151 A 7.96 3.61 1.24 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 0.00 0.00 0.00 152 D 8.92 4.69 0.00 2.68 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 0.00 153 V 7.29 4.35 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 0.86 0.00 0.00 0.94 0.00 0.00 154 D 8.77 4.59 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 0.00 155 L 7.58 4.34 0.00 1.45 1.31 0.79 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.38 4.40 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 0.49 0.00 0.00 0.97 0.00 0.00 157 I 8.31 4.29 1.79 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.41 0.83 0.00 0.00 158 P 0.00 4.68 0.00 1.85 1.10 0.00 3.46 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.35 0.00 159 T 8.62 4.32 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 160 N 8.86 4.69 0.00 2.97 2.73 0.00 0.00 6.99 7.95 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 0.00 161 N 8.92 5.08 0.00 2.94 2.83 0.00 0.00 6.12 7.13 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 0.00 162 K 8.76 4.44 0.00 1.92 1.92 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.37 7.81 163 G 8.06 3.79 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 0.00 164 R 8.03 3.51 0.00 0.87 1.55 0.00 3.20 0.00 0.00 2.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 0.00 165 R 7.72 3.87 0.00 1.84 1.90 0.00 3.13 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 166 A 7.95 4.06 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 0.00 167 L 8.08 4.05 0.00 1.90 2.02 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 168 A 8.07 4.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.92 3.75 1.82 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 1.46 1.33 1.05 0.00 0.00 170 V 7.83 3.66 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 1.04 0.00 0.00 171 Y 8.14 4.44 0.00 3.53 3.44 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 0.00 172 W 8.15 3.33 0.00 3.03 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.61 3.60 0.00 1.92 1.74 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.25 4.01 0.00 2.34 2.23 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.26 3.58 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 0.00 176 R 7.66 2.00 0.00 0.67 0.98 0.00 2.83 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.54 0.00 177 E 7.71 3.71 0.00 2.19 1.82 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 2.26 2.33 0.00 178 I 7.55 3.58 1.82 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 1.60 0.71 0.84 0.00 0.00 179 A 7.70 3.90 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 0.00 180 K 8.06 3.75 0.00 1.73 1.87 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.43 7.81 181 I 7.64 3.66 2.01 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 1.49 0.77 0.89 0.00 0.00 182 R 8.08 4.12 0.00 1.97 1.97 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 183 G 7.50 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 Q 7.93 4.14 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 185 D 8.66 4.45 0.00 2.69 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 0.00 186 F 8.79 4.88 0.00 2.79 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 0.00 187 T 7.53 4.27 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 0.41 0.00 0.00 188 Y 6.56 4.61 0.00 3.02 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 0.00 189 S 9.21 4.93 0.00 3.96 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 0.00 190 I 7.28 2.75 1.40 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.61 0.00 0.00 191 E 7.36 4.19 0.00 2.17 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 2.28 2.20 0.00 192 D 7.88 4.48 0.00 3.21 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 0.00 193 F 8.27 4.39 0.00 3.13 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 0.00 194 E 7.59 4.08 0.00 2.08 1.83 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 2.30 2.47 0.00 195 A 8.31 4.23 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 0.00 196 E 8.53 4.16 0.00 2.16 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 2.32 2.28 0.00 197 L 9.26 3.97 0.00 1.66 1.80 0.92 0.98 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 0.00 198 E 7.73 4.14 0.00 2.17 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 0.00 2.49 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.