NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 5.1535 8.3481 122.9916 52.2872 20.7695 178.6990 3 Y 3.8867 8.1187 113.4870 58.9659 38.4002 175.1800 4 D 3.8739 7.9460 120.2438 55.7905 42.5577 177.4938 5 D 4.2616 7.0474 117.6941 54.3670 41.4699 175.7001 6 L 4.4390 8.0756 124.1450 55.1701 43.0689 175.5004 7 H 4.6032 9.0258 123.3498 53.9090 31.1693 173.3365 8 E 4.9840 7.9568 120.0233 54.9908 33.1085 175.6467 9 G 4.6220 8.5389 109.2249 47.0330 0.0000 171.4378 10 Y 5.5653 7.9468 117.2019 55.4036 41.6911 174.3714 11 A 5.4775 9.5710 120.8679 50.9745 23.2989 175.5894 12 T 5.4195 8.8068 111.0174 60.3070 72.4325 172.0334 13 Y 5.8221 7.1575 116.9124 56.2933 41.3442 173.9289 14 T 4.3462 8.2322 115.4385 62.9919 73.4957 173.7110 15 G 4.5174 8.5867 109.4601 45.6827 0.0000 174.1933 16 S 4.4789 8.2027 113.7443 58.3530 63.7289 174.7695 17 G 3.6438 7.7543 109.0433 46.7446 0.0000 174.6386 18 Y 4.1592 7.8330 116.9854 60.3278 38.2355 176.0724 19 S 4.6558 7.7397 112.9679 57.9288 65.3757 173.7397 20 G 3.9064 9.2910 115.3919 45.3972 0.0000 173.8932 21 G 3.5969 7.7617 108.2443 45.1715 0.0000 174.8233 22 A 3.9815 9.2160 124.7854 54.8296 18.4633 179.3200 23 F 4.9124 7.2192 112.0954 56.9477 39.2929 175.6147 24 L 3.6975 7.5587 120.0078 56.0598 39.4499 174.8927 25 L 4.6170 7.7326 113.5828 54.5540 42.3466 177.3512 26 D 4.5933 7.9028 119.0643 53.7693 41.3592 174.2339 27 P 4.6524 0.0000 0.0000 62.1707 32.5929 175.3829 28 I 4.5016 8.1031 121.3231 58.4960 39.0093 173.7529 29 P 4.3321 0.0000 0.0000 62.8807 31.2356 177.1457 30 S 3.7421 8.8477 119.1184 60.5827 62.7372 174.7690 31 D 4.5117 7.3662 121.4933 51.3628 38.1216 173.5162 *33 E 4.4715 7.9772 124.0332 57.1383 31.5327 174.5782 34 I 5.2252 7.9810 117.3248 59.6637 41.8022 173.8270 35 T 4.6849 8.3120 114.1726 61.2233 71.2029 171.7078 36 A 4.9894 8.2885 127.2044 50.0859 21.8383 175.5526 37 I 4.8341 8.2685 121.0398 58.5315 41.4881 174.7456 38 N 4.9256 8.5113 125.9752 52.5422 38.1194 174.2149 39 P 4.2926 0.0000 0.0000 65.9985 31.0662 178.5524 40 A 4.0019 7.9123 119.1144 55.3597 18.5485 179.0418 41 D 4.6060 8.1173 115.2494 56.9523 41.4025 178.2495 42 L 4.1770 7.9420 121.2035 57.7956 43.2465 177.1274 43 N 5.2464 7.5907 115.5960 51.5992 37.2759 174.3306 44 Y 4.2313 7.7897 121.7951 58.0767 40.2597 175.5165 45 G 3.3203 8.4584 112.7492 46.0961 0.0000 174.8404 46 G 3.8114 8.1482 106.1270 45.0322 0.0000 173.9190 47 V 4.0649 7.4448 120.7718 60.8238 32.2611 175.3994 48 K 4.1933 8.5616 127.0189 57.7310 32.6188 176.4543 49 A 3.4098 9.0899 125.1781 52.7341 16.7173 179.6087 50 A 3.9255 8.2955 123.9563 56.6812 18.7881 179.5499 51 L 4.4141 7.7734 112.8518 54.3446 41.9596 176.3640 52 A 3.7123 7.1581 123.4660 53.2202 18.3426 178.6426 53 G 3.8092 8.7104 111.3151 45.4611 0.0000 173.5582 54 S 4.8273 7.7739 115.4869 57.6998 65.7406 172.3374 55 Y 5.1450 8.6522 116.4252 56.1987 40.9287 175.0208 56 L 5.3536 8.8784 123.2505 52.9638 45.5502 175.0598 57 E 4.9168 9.4185 124.3599 54.9432 31.2774 174.5913 58 V 4.9731 9.0980 127.8859 61.1439 34.4595 173.8331 59 E 5.1539 9.3049 128.0480 54.5181 32.5795 174.9127 60 G 4.6393 9.0790 114.0665 43.3511 0.0000 171.5322 61 P 4.5762 0.0000 0.0000 64.3557 31.0961 176.8216 62 K 4.4612 9.0511 117.0479 55.0745 34.4657 176.5627 63 G 3.8804 6.2073 104.4669 45.5838 0.0000 170.9818 64 K 5.6182 7.6697 117.7941 54.3836 36.0403 175.3721 65 T 4.4604 8.0691 113.7361 61.9558 70.7751 171.6591 66 T 5.2099 8.5642 121.7893 61.9840 70.7749 174.3578 67 V 4.7625 8.8913 118.5684 59.7210 36.0980 173.8257 68 Y 4.3685 8.5401 124.7082 55.9893 40.4564 174.9818 69 V 4.2358 8.3803 128.1783 63.1341 31.2204 175.7927 70 T 4.2253 8.2630 117.9369 61.6291 70.9876 173.2941 71 D 3.7776 7.2509 120.7056 52.6331 45.3320 172.9393 72 L 4.8176 7.6646 122.5669 54.0368 43.7999 175.8502 73 Y 4.8310 8.7400 127.9793 54.5158 38.4776 171.1626 74 P 4.2489 0.0000 0.0000 64.1043 31.4842 176.8957 75 E 3.7569 9.0864 120.7568 56.3986 27.0198 174.8331 76 G 2.9762 7.6407 107.9037 45.0650 0.0000 173.8931 77 A 4.3997 7.6565 124.6204 50.3505 19.9239 177.3610 78 R 4.2391 8.2650 118.5453 57.9121 30.5087 178.1587 79 G 4.3513 10.8095 109.9764 46.4514 0.0000 173.3323 80 A 4.0833 7.7501 122.5678 51.7705 19.5834 176.6756 81 L 4.7351 8.7111 120.7658 53.0736 46.6043 175.2914 82 D 5.1416 8.4631 122.0288 52.0957 41.7089 175.2962 83 L 4.7664 8.8723 124.7278 53.8194 43.5342 176.4502 84 S 5.2488 8.3083 114.6595 56.4240 64.5372 173.4242 85 P 4.1358 0.0000 0.0000 66.1909 30.8223 178.5234 86 N 4.3700 8.3019 113.2345 55.8958 37.3532 176.5380 87 A 4.7143 7.9099 123.7468 54.2405 18.8885 179.0237 88 F 3.8759 8.5193 119.5523 61.5689 39.2571 177.2557 89 R 3.9836 8.3098 117.2530 59.2768 29.8180 178.0513 90 K 4.2404 7.7451 116.8856 57.4639 32.5687 177.4250 91 I 4.3719 7.2335 110.2313 60.1996 38.5589 174.6769 92 G 3.9891 7.5334 108.7495 45.6510 0.0000 171.0283 93 N 4.8528 8.1214 117.4280 51.9661 41.0754 174.8161 *95 K 4.3413 8.3581 115.3948 56.4049 33.8420 176.5114 96 D 4.5428 8.4609 117.8710 54.3567 41.3411 177.7696 97 G 4.3379 8.9239 112.2281 45.8634 0.0000 173.9917 98 K 5.2351 7.7649 118.6405 54.6868 35.3677 175.3481 99 I 4.9205 9.1756 119.4524 59.1017 41.4621 174.0397 100 N 5.3497 8.8123 120.7086 53.1552 39.7031 174.3550 101 I 5.5452 9.2859 115.3359 58.6088 42.3805 174.0497 102 K 5.7156 8.7916 120.4559 54.0979 36.0584 175.7325 103 W 6.3000 8.5320 120.8456 54.3330 32.5120 173.7032 104 R 4.9137 8.4822 114.2309 54.9641 32.0275 174.2624 105 V 4.4287 8.5532 121.1589 63.2737 32.1545 175.2384 106 V 4.7107 8.9154 127.0195 60.4017 35.0585 174.8591 107 K 3.4580 8.7394 125.5166 56.2788 32.6360 176.1607 108 A 3.3723 8.3804 130.2380 50.4401 18.5219 177.1141 109 P 4.3241 0.0000 0.0000 62.4429 30.0044 174.0153 110 I 4.5492 6.8601 111.3701 59.6409 41.1814 174.8391 111 T 4.4926 8.0441 108.8086 60.6538 71.5093 173.7693 112 G 3.7362 8.8065 108.4146 44.7965 0.0000 171.3297 113 N 4.7999 7.8309 115.8533 51.1993 41.3813 174.8566 114 F 4.8453 8.2786 118.5955 58.7148 40.6320 175.0708 115 T 4.6370 8.2507 115.8853 62.3872 72.6927 172.8225 116 Y 5.1639 8.9260 124.4100 56.3547 40.8202 174.5547 117 R 4.8900 9.0368 123.7049 54.6361 33.1634 174.3033 118 I 4.6560 8.3001 127.9313 59.3156 38.3596 175.4594 119 K 4.4118 8.7355 129.2561 55.9780 33.3890 176.3400 120 E 4.0373 8.7312 124.4344 58.0211 29.8912 177.8507 121 G 4.0703 9.3365 110.4826 45.6064 0.0000 174.0448 122 S 4.9949 7.8896 116.2996 58.4263 63.6641 173.8900 123 S 4.9940 8.6382 116.9343 57.9102 65.8617 175.7642 124 R 3.4848 8.0329 116.0157 58.6822 29.5105 178.8880 125 W 4.6524 8.1228 120.4378 58.7969 30.7494 176.6121 126 W 5.4616 8.1673 129.1680 56.1415 34.0350 173.6514 127 A 4.5131 8.0473 127.6032 49.9169 22.9078 174.4023 128 A 4.7278 8.1435 121.9010 50.0786 22.0008 175.2672 129 I 4.9804 9.1501 123.9857 59.7269 40.3517 174.6259 130 Q 4.8237 9.2293 128.7311 54.4013 31.4416 174.0410 131 V 4.6737 8.3728 124.8772 61.3330 33.3156 174.9102 132 R 4.6125 8.7126 126.3176 54.3766 33.9261 174.3835 133 N 4.1292 8.5415 117.2175 55.1305 36.6479 173.6535 134 H 5.4063 7.5309 112.9888 53.5102 31.6005 174.9948 135 K 3.9775 9.2799 122.6668 59.2537 32.2011 176.0216 136 Y 5.2343 8.0886 113.3199 54.8203 42.2062 173.8067 137 P 4.4472 0.0000 0.0000 63.6115 32.3368 176.3820 138 V 4.2726 8.1463 123.0440 61.8897 33.1887 174.2892 *140 K 4.0809 8.2726 123.1504 56.1628 32.9574 173.9891 *142 E 4.5854 8.1315 119.9551 56.3980 31.2523 174.5201 143 Y 5.4015 8.3510 118.8007 55.3057 41.7568 173.7901 144 E 4.0742 8.5842 122.4402 54.6849 31.1223 175.6496 145 K 4.2968 8.7991 127.3437 56.4061 35.6414 175.5923 146 D 4.4373 9.6557 127.0549 55.5562 38.3140 174.4267 147 G 3.8563 8.1414 102.4913 45.7777 0.0000 173.3692 148 K 4.6381 7.6531 118.3839 54.0578 36.1751 175.5670 149 W 4.8082 8.6547 122.6564 55.2446 30.2115 175.6598 150 I 3.8927 7.9682 127.3460 60.7354 37.8736 176.2862 151 N 4.8723 8.2795 126.0116 52.7874 41.7409 172.6480 *153 E 4.1639 8.5725 117.2943 56.2812 31.0692 176.8133 154 K 4.1730 8.3735 127.7684 55.1443 33.1074 175.9836 *156 D 4.6235 8.5853 121.0080 54.1262 42.5053 175.7908 157 Y 5.3026 7.3453 115.1500 56.2660 38.4810 174.4985 158 N 3.8973 8.0287 115.3312 55.7507 37.6966 173.1004 159 H 5.0408 7.2349 110.9218 53.8405 33.9458 172.9068 160 F 4.5644 9.3619 120.8089 56.3855 40.3406 175.2939 161 V 5.1340 8.1696 123.7186 60.8332 34.2168 174.1493 162 S 4.7656 7.4975 117.4251 58.1242 65.6416 174.0398 163 T 4.9324 8.4924 112.4556 59.6441 70.6244 173.0584 164 N 4.2434 8.7560 119.4042 54.9907 37.3588 175.2243 165 L 3.4135 8.1985 118.4736 55.8259 42.7947 177.3662 166 G 3.7547 7.2038 103.5881 44.0180 0.0000 172.3589 167 T 4.3654 7.6821 112.7339 61.0574 70.5220 175.7211 168 G 3.8136 8.3800 113.3838 44.2227 0.0000 172.7863 169 S 4.3534 8.2692 112.7758 58.3767 63.9899 173.7564 170 L 4.3672 8.5664 122.2874 53.7873 43.3981 175.4560 171 K 4.7927 8.5106 124.9980 55.1396 33.7558 175.3320 172 V 5.3329 8.7240 120.3975 59.8722 35.6504 174.5054 173 R 5.4714 8.8064 122.1585 54.2850 33.8602 174.2376 *175 T 4.3622 8.3112 116.8835 63.4131 69.8186 174.2263 176 D 4.5154 7.9745 125.6214 51.7452 41.4961 176.6900 177 I 3.6451 7.4060 118.3381 63.2479 37.8405 176.9662 178 R 4.1886 7.6775 114.7196 55.6923 29.4047 177.0419 179 G 3.8379 7.8344 105.9529 45.3837 0.0000 174.0979 180 K 4.1271 8.2357 121.0037 56.2051 32.9354 176.3102 181 V 4.7766 8.3480 124.4380 61.3867 34.0869 174.8457 182 V 4.5990 8.2351 124.1864 61.4556 35.0754 173.5541 183 K 5.0979 8.5107 125.4643 55.3074 35.2763 174.3522 184 D 4.7214 8.9704 121.1935 54.2881 45.6246 173.8605 185 T 5.2608 8.4044 116.2109 61.9835 72.1496 173.8076 186 I 4.7038 8.5761 120.3417 57.8915 40.6844 173.4905 187 P 4.7927 0.0000 0.0000 62.7437 31.6839 175.8861 188 K 4.3023 8.4226 119.3150 56.6182 33.1327 176.4169 189 L 4.4425 8.1976 121.4318 52.9541 42.9920 175.1404 190 P 4.4172 0.0000 0.0000 63.0198 31.7549 176.1887 191 E 4.2998 8.5601 118.0006 56.2700 29.6493 175.7692 192 S 4.7448 7.8788 109.5841 57.1704 65.2253 174.3083 193 G 4.3474 9.1043 115.6021 46.1965 0.0000 173.4012 194 T 4.2462 8.5336 114.0211 61.5530 69.8330 175.7506 195 S 4.2663 8.6794 119.2032 60.8274 63.3048 174.8944 196 K 4.8817 7.7164 116.6038 54.1062 35.4404 176.5056 197 A 4.6646 8.7228 124.7355 52.5758 19.5286 175.9576 198 Y 5.0683 8.3998 116.5874 56.1617 41.9400 173.8162 199 T 5.1409 8.6578 109.8243 60.1682 71.8236 173.7568 200 V 4.7288 8.8069 122.4777 60.3581 35.0368 172.9643 201 P 4.6247 0.0000 0.0000 63.1558 31.8185 175.7421 202 G 4.2108 8.3456 108.9870 45.0644 0.0000 172.9825 203 H 5.1141 9.2369 116.4533 55.3278 30.3685 173.5555 204 V 4.4437 7.2144 111.5761 60.0882 36.4046 173.7942 205 Q 3.3547 7.6099 119.5384 54.6346 31.4265 173.6090 206 F 4.7117 8.2233 121.8899 56.4339 39.7310 173.8629 207 P 4.4412 0.0000 0.0000 62.6089 31.7197 176.2043 208 E 4.2710 8.9707 118.5066 57.2893 29.3679 177.1494 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 A 8.35 5.15 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 3 Y 8.12 3.89 0.00 2.71 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 4 D 7.95 3.87 0.00 2.12 2.46 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 5 D 7.05 4.26 0.00 2.76 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 6 L 8.08 4.44 0.00 1.53 1.42 0.92 0.93 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 7 H 9.03 4.60 0.00 1.40 1.88 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.96 4.98 0.00 1.82 1.81 0.00 0.00 0.00 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 2.22 0.00 9 G 8.54 4.62 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 10 Y 7.95 5.57 0.00 3.25 3.17 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 11 A 9.57 5.48 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 12 T 8.81 5.42 4.01 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 1.39 0.00 0.00 13 Y 7.16 5.82 0.00 2.84 2.63 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 0.00 0.00 0.00 0.00 14 T 8.23 4.35 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 1.17 0.00 0.00 15 G 8.59 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.20 4.48 0.00 3.94 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 0.00 17 G 7.75 3.64 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 0.00 0.00 0.00 18 Y 7.83 4.16 0.00 2.98 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.74 4.66 0.00 3.82 3.71 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 20 G 9.29 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 0.00 0.00 0.00 21 G 7.76 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 9.22 3.98 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 23 F 7.22 4.91 0.00 3.14 2.93 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 24 L 7.56 3.70 0.00 1.96 1.81 1.06 0.99 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 25 L 7.73 4.62 0.00 1.62 1.77 0.77 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.90 4.59 0.00 2.69 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 27 P 0.00 4.65 0.00 2.22 2.08 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 28 I 8.10 4.50 2.18 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 1.04 0.00 0.00 29 P 0.00 4.33 0.00 2.43 2.26 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 30 S 8.85 3.74 0.00 3.78 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 31 D 7.37 4.51 0.00 2.77 2.72 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 *33 E 7.98 4.47 0.00 2.16 2.04 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 2.50 2.39 0.00 34 I 7.98 5.23 1.65 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.63 0.77 0.00 0.00 35 T 8.31 4.68 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 1.00 0.00 0.00 36 A 8.29 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.27 4.83 1.73 0.00 0.00 0.76 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 55 Y 8.65 5.14 0.00 3.10 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 56 L 8.88 5.35 0.00 1.54 1.66 0.24 0.74 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 57 E 9.42 4.92 0.00 2.09 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 2.28 2.28 0.00 58 V 9.10 4.97 2.10 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 0.93 0.00 0.00 0.91 0.00 0.00 59 E 9.30 5.15 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 60 G 9.08 4.64 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 0.00 0.00 0.00 61 P 0.00 4.58 0.00 2.18 2.20 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 1.95 1.99 0.00 62 K 9.05 4.46 0.00 1.81 1.83 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.32 7.81 63 G 6.21 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 64 K 7.67 5.62 0.00 1.62 1.71 0.00 2.00 0.00 0.00 2.46 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.24 7.81 65 T 8.07 4.46 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 1.22 0.00 0.00 66 T 8.56 5.21 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 1.40 0.00 0.00 67 V 8.89 4.76 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 0.75 0.00 0.00 0.92 0.00 0.00 68 Y 8.54 4.37 0.00 2.65 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.38 4.24 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 1.00 0.00 0.00 0.81 0.00 0.00 70 T 8.26 4.23 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 0.68 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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 0.00 114 F 8.28 4.85 0.00 2.54 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 0.00 0.00 0.00 0.00 115 T 8.25 4.64 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 1.20 0.00 0.00 116 Y 8.93 5.16 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.04 4.89 0.00 1.85 1.83 0.00 3.13 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 118 I 8.30 4.66 0.62 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.32 0.76 0.00 0.00 119 K 8.74 4.41 0.00 1.86 1.79 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.40 7.81 120 E 8.73 4.04 0.00 2.03 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 2.35 2.52 0.00 121 G 9.34 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 122 S 7.89 4.99 0.00 4.06 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 0.00 123 S 8.64 4.99 0.00 4.20 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 0.00 124 R 8.03 3.48 0.00 1.49 1.87 0.00 2.52 0.00 0.00 2.65 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 125 W 8.12 4.65 0.00 3.50 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 0.00 126 W 8.17 5.46 0.00 3.58 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 0.00 127 A 8.05 4.51 0.98 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 0.00 128 A 8.14 4.73 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 0.00 129 I 9.15 4.98 1.87 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 1.00 0.61 0.90 0.00 0.00 130 Q 9.23 4.82 0.00 1.32 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 131 V 8.37 4.67 1.97 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 0.05 0.00 0.00 0.91 0.00 0.00 132 R 8.71 4.61 0.00 1.81 1.79 0.00 3.34 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 133 N 8.54 4.13 0.00 2.85 2.88 0.00 0.00 6.85 7.89 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 0.00 134 H 7.53 5.41 0.00 3.67 3.05 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 9.28 3.98 0.00 2.18 1.77 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.69 7.81 136 Y 8.09 5.23 0.00 2.60 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 0.00 137 P 0.00 4.45 0.00 2.21 2.25 0.00 3.85 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 1.99 2.00 0.00 138 V 8.15 4.27 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 0.81 0.00 0.00 0.70 0.00 0.00 *140 K 8.27 4.08 0.00 1.83 1.76 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.70 7.81 *142 E 8.13 4.59 0.00 2.24 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 0.00 2.45 2.29 0.00 143 Y 8.35 5.40 0.00 3.02 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 0.00 144 E 8.58 4.07 0.00 1.16 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 1.84 1.68 0.00 145 K 8.80 4.30 0.00 1.80 1.49 0.00 2.10 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.41 7.81 146 D 9.66 4.44 0.00 2.77 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 0.00 147 G 8.14 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 0.00 0.00 0.00 148 K 7.65 4.64 0.00 1.67 1.61 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 149 W 8.65 4.81 0.00 3.11 3.13 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 0.00 150 I 7.97 3.89 0.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.41 0.76 0.00 0.00 151 N 8.28 4.87 0.00 2.72 2.78 0.00 0.00 7.04 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 *153 E 8.57 4.16 0.00 2.17 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 2.25 2.33 0.00 154 K 8.37 4.17 0.00 1.25 1.46 0.00 1.25 0.00 0.00 2.22 0.00 0.00 2.53 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.84 0.21 7.81 *156 D 8.59 4.62 0.00 2.84 2.87 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 0.00 157 Y 7.35 5.30 0.00 3.14 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 0.00 158 N 8.03 3.90 0.00 2.64 3.11 0.00 0.00 6.95 7.89 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 0.00 159 H 7.23 5.04 0.00 2.97 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 F 9.36 4.56 0.00 3.08 2.97 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 0.00 161 V 8.17 5.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 1.01 0.00 0.00 162 S 7.50 4.77 0.00 4.05 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 T 8.49 4.93 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 164 N 8.76 4.24 0.00 3.06 2.92 0.00 0.00 7.52 7.37 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 0.00 165 L 8.20 3.41 0.00 1.29 1.19 -0.24 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 166 G 7.20 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 0.00 0.00 0.00 167 T 7.68 4.37 4.12 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 0.00 0.00 1.15 0.00 0.00 168 G 8.38 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.35 0.00 4.03 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 0.00 170 L 8.57 4.37 0.00 1.52 1.51 0.66 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.51 4.79 0.00 1.81 1.48 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.75 7.81 172 V 8.72 5.33 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 0.64 0.00 0.00 0.77 0.00 0.00 173 R 8.81 5.47 0.00 1.19 1.33 0.00 2.78 0.00 0.00 2.69 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.00 *175 T 8.31 4.36 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 1.16 0.00 0.00 176 D 7.97 4.52 0.00 2.29 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.41 3.65 1.63 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.79 -0.07 0.00 0.00 178 R 7.68 4.19 0.00 1.77 1.68 0.00 2.48 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 179 G 7.83 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 0.00 180 K 8.24 4.13 0.00 1.73 1.73 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.35 7.81 181 V 8.35 4.78 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 0.66 0.00 0.00 0.90 0.00 0.00 182 V 8.24 4.60 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 0.83 0.00 0.00 1.14 0.00 0.00 183 K 8.51 5.10 0.00 1.68 1.77 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.20 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.31 7.81 184 D 8.97 4.72 0.00 2.89 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 0.00 185 T 8.40 5.26 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 186 I 8.58 4.70 1.80 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 0.38 0.00 0.00 187 P 0.00 4.79 0.00 2.12 2.15 0.00 3.83 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 2.09 2.07 0.00 188 K 8.42 4.30 0.00 1.80 1.78 0.00 1.12 0.00 0.00 1.08 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.30 7.81 189 L 8.20 4.44 0.00 1.53 1.51 0.73 0.99 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 0.00 190 P 0.00 4.42 0.00 2.43 2.21 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.08 0.00 191 E 8.56 4.30 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 192 S 7.88 4.74 0.00 3.93 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 0.00 193 G 9.10 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 T 8.53 4.25 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 195 S 8.68 4.27 0.00 3.92 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 0.00 196 K 7.72 4.88 0.00 1.66 1.73 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.45 7.81 197 A 8.72 4.66 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 0.00 198 Y 8.40 5.07 0.00 3.12 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 0.00 199 T 8.66 5.14 4.29 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 1.26 0.00 0.00 200 V 8.81 4.73 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.19 0.00 0.00 201 P 0.00 4.62 0.00 2.11 2.07 0.00 3.89 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 2.05 2.04 0.00 202 G 8.35 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 0.00 203 H 9.24 5.11 0.00 3.20 3.28 0.00 5.60 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 V 7.21 4.44 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 0.78 0.00 0.00 0.87 0.00 0.00 205 Q 7.61 3.35 0.00 1.68 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.98 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 206 F 8.22 4.71 0.00 3.40 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 0.00 207 P 0.00 4.44 0.00 2.21 2.10 0.00 4.05 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 208 E 8.97 4.27 0.00 2.03 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 2.37 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.