NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3039 8.1744 115.2452 61.9579 69.6534 174.6115 5 D 4.3760 8.2005 121.1315 55.6149 41.3534 173.5536 6 V 3.6572 7.8158 117.5205 61.9905 32.1923 177.2905 *8 F 4.6271 8.2732 123.3806 59.2418 41.0857 176.7063 9 K 3.7407 8.1908 120.1150 59.6146 31.7493 179.4517 10 S 4.0581 8.0120 114.3303 61.2748 62.7056 176.2127 11 Q 3.8094 7.8276 122.6577 59.0294 28.7945 178.3077 12 I 3.3220 7.3387 120.4924 63.9050 37.1349 178.1323 13 A 3.9753 8.0472 122.0013 55.4047 18.2305 179.4817 14 N 4.2334 8.1680 114.8083 56.5693 38.6657 177.6071 15 Q 3.9169 7.9346 120.8534 58.7551 29.0047 177.7656 16 L 3.9801 8.1839 121.8821 57.9879 42.1588 178.8885 17 K 4.2345 7.8322 120.4519 58.8914 32.1544 178.1867 18 N 4.1949 7.9844 117.2332 56.7464 38.5162 176.6201 19 L 3.8697 8.2564 120.6149 57.7849 41.7768 179.6359 20 R 3.8594 8.2088 118.6339 59.5128 30.0654 178.7132 21 K 3.9742 8.5287 118.5864 59.6401 31.8033 179.5726 22 S 4.1092 8.4425 114.7826 61.1495 62.7951 176.0826 23 R 4.3004 7.4989 118.1069 55.5177 30.1943 176.7211 24 G 3.8742 7.8869 106.8501 46.4559 0.0000 173.6155 25 L 4.5236 7.5725 118.7593 53.1017 43.3147 177.5919 26 S 4.6008 8.1685 117.0137 57.3854 65.8458 175.4591 27 L 4.0037 8.2406 121.8965 57.9481 41.3501 179.2684 28 D 4.2894 8.0821 117.3704 57.2927 41.2407 178.0190 29 A 4.0437 8.2221 121.3875 55.4320 18.3554 179.7983 30 T 3.8957 8.1192 114.1761 66.4211 68.3657 176.9238 31 A 4.3841 8.0579 124.3880 54.8554 18.2242 179.7118 32 Q 3.9582 7.8601 115.3381 59.0577 28.8329 178.7840 33 L 4.1725 7.8079 119.3717 57.8128 41.8038 179.0667 34 T 4.3273 8.0752 108.0263 61.9215 69.3470 176.0872 35 G 3.9269 8.4091 109.0394 45.1662 0.0000 172.9856 36 V 4.2305 7.6125 120.6277 60.6244 32.7416 175.5384 37 S 4.3304 8.6006 121.5166 58.3088 63.4450 174.4146 38 K 3.9663 8.7499 123.0386 59.6563 32.3673 178.9052 39 A 4.2213 7.9575 117.3354 53.2906 18.0734 178.5225 *41 L 4.2925 8.0442 120.6410 55.9733 44.0497 179.6777 42 G 3.5909 8.3354 105.2613 47.9436 0.0000 175.8197 43 Q 4.0559 8.1190 120.7157 58.6156 28.6787 179.0353 44 I 3.6799 7.6551 120.3231 64.5263 37.1754 178.2543 45 E 4.0543 8.2828 119.0030 58.6373 29.0332 178.5505 46 R 4.4478 7.6144 115.6450 55.3515 30.5136 176.7278 47 G 3.8679 7.7244 106.8697 46.5689 0.0000 174.7599 48 E 4.3441 8.5994 121.7940 56.7689 30.2554 177.0725 49 S 4.6568 7.7394 111.8460 56.0865 65.7656 173.6234 50 S 4.6288 8.6204 118.4613 56.2741 62.9979 172.2473 51 P 4.4854 0.0000 0.0000 62.5472 32.0782 176.8479 52 T 4.5736 8.2456 111.0267 61.0363 71.5242 175.8831 53 I 3.8753 8.5929 122.1366 64.5630 36.9870 178.7420 54 A 4.2533 8.1045 121.2192 55.5277 18.2039 179.7071 55 T 3.9860 8.0458 114.3280 66.5973 68.4462 176.9153 56 L 3.8441 8.2025 120.9906 57.8167 41.6125 179.7341 57 W 4.3154 8.5966 118.7939 59.5620 29.1042 178.5172 58 K 4.1489 8.3800 119.7786 59.6123 31.6811 179.0325 59 I 3.8113 8.3328 120.0482 64.4004 37.0686 178.1062 60 A 3.9152 8.6591 122.0185 55.4051 18.3095 179.7620 61 S 4.3622 8.7602 113.9989 61.9747 62.7685 177.3541 62 G 3.7171 7.9684 106.5897 47.3271 0.0000 174.8772 63 L 4.2707 7.8132 118.4421 53.7850 42.6053 176.1949 64 E 3.7505 7.9724 117.2623 57.8028 27.3751 173.6174 65 A 4.5361 8.0624 119.6345 49.8983 22.2616 176.6757 66 S 4.0278 7.5530 114.0814 57.0275 64.5802 174.9974 67 F 4.0505 8.6546 122.6552 61.4389 38.8659 177.4507 68 S 4.4774 9.7040 115.3936 61.5355 62.5432 176.3955 69 A 3.9317 7.6561 122.9563 54.8801 17.7681 179.0898 70 F 4.1546 7.6176 114.5059 58.9854 39.0546 175.8503 71 F 5.0648 8.4336 115.5196 55.6829 40.1583 176.6243 72 A 4.0928 7.7661 125.5342 54.8943 18.1990 179.3262 73 N 4.5318 8.0569 112.1458 55.3241 38.4124 175.4189 74 D 4.7813 8.2637 118.4304 51.7877 42.3343 173.1651 75 P 4.2539 0.0000 0.0000 65.6702 32.0689 178.4644 76 Q 3.9936 8.3951 118.4666 59.3500 29.2279 178.3348 77 L 3.9883 8.2976 117.8391 57.8435 41.0845 179.1624 78 L 3.5109 7.7337 119.7889 58.1450 41.8203 179.1220 79 S 3.9820 7.6748 111.4079 60.3291 63.0493 175.2814 80 S 4.8117 7.1644 116.7184 58.0120 64.9123 174.8791 81 E 4.1066 8.0140 122.1780 55.8627 28.0783 175.4852 82 R 5.1784 8.0465 122.7468 56.2623 31.6165 176.5533 83 S 4.9976 7.8082 114.0662 56.6286 64.1297 173.5175 84 F 3.9836 8.9001 125.2765 55.4713 39.7930 174.9328 85 P 4.0883 0.0000 0.0000 65.8864 30.7299 176.6492 86 D 4.8483 7.8937 115.1689 53.8497 41.4173 176.8922 87 D 4.8099 8.0049 117.6042 53.1467 41.6641 175.7816 88 L 4.0661 7.7722 119.4973 57.4743 43.1151 178.2537 89 N 4.6462 7.6829 118.0875 52.2349 37.3641 175.3561 *91 K 4.5078 7.6544 117.9261 56.4239 34.7551 176.5821 92 I 4.6138 8.8290 125.6960 59.8515 39.6254 174.0850 93 H 5.1112 9.0385 127.6800 54.5098 31.6974 173.0270 94 T 4.6011 8.6514 123.5378 63.6710 68.1558 174.7609 95 L 3.9313 8.6768 128.1369 56.8173 42.8781 177.8703 96 F 4.7611 7.6620 117.8686 55.0013 42.6551 172.9374 97 P 4.7410 0.0000 0.0000 62.2149 32.3669 175.4659 98 Y 4.9596 8.9086 121.7347 57.9058 39.3031 175.5821 99 A 4.4182 7.6349 126.6187 49.7278 21.3580 176.8148 100 A 3.7350 8.5182 126.2476 54.8805 18.8795 178.4348 101 D 4.4574 7.9867 115.0531 55.6970 39.6992 177.1484 102 T 4.2292 7.6725 107.3578 60.4351 70.4551 175.2186 103 G 4.0163 8.3314 110.6970 45.8961 0.0000 172.4673 104 L 5.3195 7.4195 118.9767 52.9964 44.3996 175.2741 105 E 5.0560 9.0867 122.2695 54.6424 33.1010 174.1496 106 I 4.9616 8.8073 127.6633 59.5345 40.6048 174.6908 107 F 5.4317 9.3115 124.9172 55.5608 43.6307 173.6899 108 E 4.9078 9.3447 122.0170 54.7348 31.9090 174.5015 109 I 4.7298 8.2837 128.7096 59.7182 39.7191 174.8693 110 T 4.9023 8.4343 123.4808 61.8734 70.4885 173.5764 111 L 4.9255 9.2874 127.3695 53.2609 43.9777 175.8861 112 L 5.0505 8.8221 122.5122 52.2629 46.0847 175.4366 113 D 4.4474 9.3957 116.5570 56.4730 39.4647 172.7031 114 H 4.3265 8.1308 105.4150 55.0480 28.8087 174.5983 115 H 4.3044 8.1818 119.2215 57.7757 31.1238 173.4005 116 Q 4.9989 8.2405 124.8750 54.3733 31.4169 174.0384 117 Q 4.6911 9.7000 127.7728 54.2921 33.0551 173.8736 *119 S 4.5134 8.3011 115.4978 58.3839 64.4932 174.1494 120 S 4.7720 8.5429 117.9405 57.1088 64.0921 172.3122 121 P 4.7795 0.0000 0.0000 63.0747 31.8759 176.4934 122 H 5.4465 9.2727 120.5909 53.7326 31.3662 174.6772 123 A 4.2253 8.7869 121.3843 52.0299 18.7443 176.7558 124 L 4.2643 8.4616 121.5100 57.1056 42.2374 178.0112 125 G 4.0273 9.1472 113.8578 45.2844 0.0000 173.6212 126 V 3.9308 7.8498 121.3268 62.9016 32.7366 174.7964 127 I 4.6726 8.6997 128.4226 59.4038 40.3784 174.3530 128 E 5.0421 7.9430 124.5459 54.6305 33.0733 174.5214 129 Y 5.0008 8.9442 120.1343 56.2856 41.6306 174.8193 130 I 5.4493 9.0807 123.2884 59.9788 41.7112 174.0732 131 H 5.2907 9.3078 125.6097 54.4731 33.2233 172.3386 132 V 4.2359 8.8780 127.4247 63.1121 31.6752 176.4498 133 L 4.4314 9.1370 129.1644 56.8337 42.8173 176.9899 134 E 4.5231 8.1768 117.8099 56.1805 33.3270 176.7310 135 G 4.1309 8.8575 113.8737 44.7466 0.0000 172.1209 136 I 5.1249 7.9601 117.6383 58.0523 40.7591 174.6139 *138 K 4.6671 8.1360 120.3606 56.9788 34.3535 174.5600 139 V 4.8835 8.9556 121.8593 61.2141 34.8363 173.7548 140 F 4.4018 8.0568 130.6606 56.3035 41.0119 174.4031 141 F 4.2981 7.3563 118.6743 56.5138 41.3940 172.9575 142 D 4.2730 10.0140 117.5130 55.7681 38.6939 174.5531 143 E 3.6835 8.2876 113.4568 56.6701 27.4345 174.1045 144 Q 4.3896 6.2947 115.9720 54.5403 32.3822 173.4302 145 W 4.9601 8.5452 119.9926 56.2923 30.7021 175.5685 146 H 4.7647 9.1400 121.0643 53.8745 31.0355 172.6224 147 E 4.6099 8.8501 125.0257 55.4842 30.8478 175.6529 148 L 4.9225 8.3766 125.3041 53.2053 45.2226 176.4744 149 Q 4.4638 9.4966 122.9760 53.7382 30.6491 174.6716 150 Q 4.0702 7.6845 119.6874 58.3216 29.1305 176.7464 151 G 4.1609 9.3093 114.1819 45.4798 0.0000 173.6602 152 E 4.4518 8.1875 119.3516 56.7114 30.8166 175.5464 153 H 5.4759 7.9717 115.7535 55.0015 31.9734 171.8997 154 I 4.4820 8.4007 117.3635 60.4822 41.8158 172.8989 155 R 4.9796 8.3181 121.8398 54.6096 32.5928 173.9408 156 F 4.1920 7.5532 113.6457 55.4547 41.6067 173.0646 157 F 4.4117 8.3050 119.4200 57.2523 39.1084 175.6916 158 S 4.5673 8.8056 118.7272 57.7557 64.1584 174.2891 159 D 5.1617 7.9501 120.7004 51.9707 38.9845 175.1373 160 Q 4.6975 7.4275 115.5171 55.2313 32.4874 172.7098 161 P 4.7861 0.0000 0.0000 63.5452 31.9004 175.4110 162 H 5.2802 7.6709 118.5287 54.6545 32.2571 171.7884 163 G 3.8045 7.3974 103.5071 46.3233 0.0000 171.8793 164 Y 5.5973 9.1197 116.6845 56.3127 42.3765 174.8633 165 A 5.2006 9.0556 123.6325 50.4901 22.3873 175.4812 166 A 4.2634 8.7614 124.5699 51.4608 19.5037 178.6415 167 V 3.5902 8.7293 123.8647 65.2188 32.1637 176.6708 168 T 4.3022 7.5196 107.9980 60.8393 69.4678 174.6641 169 E 4.1872 9.0008 121.7689 59.0156 30.4587 177.1436 170 K 5.0906 7.9471 117.7018 54.6951 35.6294 175.4271 171 A 4.9847 8.7708 126.2099 50.8011 23.2454 175.2672 172 V 5.0897 8.9456 121.3448 61.1446 35.0214 174.3977 173 F 5.4670 8.8952 121.3018 55.5699 41.9069 172.8866 174 Q 4.7808 9.5067 122.5832 55.4066 30.7714 173.8891 175 N 5.5321 9.6199 124.7084 52.1281 41.9973 172.7156 176 I 4.8024 8.7938 127.7973 59.7921 39.7204 174.8648 177 V 4.6250 9.1880 127.9531 61.2271 33.5573 174.0433 178 A 5.2377 9.1324 131.2630 50.6725 20.7744 174.9866 179 Y 4.8543 9.2611 121.4072 56.1275 39.6334 174.3082 180 P 4.4015 0.0000 0.0000 63.2847 32.2542 176.6957 181 R 4.2875 8.5845 121.2074 56.4118 30.3409 176.1471 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 8.17 4.30 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 1.19 0.00 0.00 5 D 8.20 4.38 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 6 V 7.82 3.66 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 0.69 0.00 0.00 0.94 0.00 0.00 *8 F 8.27 4.63 0.00 3.14 3.38 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 9 K 8.19 3.74 0.00 2.04 1.83 0.00 1.76 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.55 1.85 7.81 10 S 8.01 4.06 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.83 3.81 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 12 I 7.34 3.32 1.33 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.36 0.44 0.00 0.00 13 A 8.05 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 14 N 8.17 4.23 0.00 2.67 2.83 0.00 0.00 6.76 7.20 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 15 Q 7.93 3.92 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 16 L 8.18 3.98 0.00 1.94 1.89 1.02 0.84 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 17 K 7.83 4.23 0.00 1.99 1.91 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.29 7.81 18 N 7.98 4.19 0.00 2.88 2.87 0.00 0.00 7.25 6.82 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 19 L 8.26 3.87 0.00 1.69 1.55 0.37 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.21 3.86 0.00 1.90 2.04 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 21 K 8.53 3.97 0.00 1.77 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.61 7.81 22 S 8.44 4.11 0.00 3.91 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 23 R 7.50 4.30 0.00 1.92 1.95 0.00 3.33 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 24 G 7.89 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 25 L 7.57 4.52 0.00 1.67 1.59 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.17 4.60 0.00 4.04 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 27 L 8.24 4.00 0.00 1.71 1.76 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.08 4.29 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.22 4.04 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 30 T 8.12 3.90 4.40 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 1.23 0.00 0.00 31 A 8.06 4.38 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 32 Q 7.86 3.96 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 33 L 7.81 4.17 0.00 1.81 1.91 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.08 4.33 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 1.36 0.00 0.00 35 G 8.41 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 36 V 7.61 4.23 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 1.03 0.00 0.00 1.00 0.00 0.00 37 S 8.60 4.33 0.00 4.03 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 38 K 8.75 3.97 0.00 1.82 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.45 7.81 39 A 7.96 4.22 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 *41 L 8.04 4.29 0.00 1.92 1.78 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.34 3.59 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 0.00 0.00 0.00 43 Q 8.12 4.06 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 44 I 7.66 3.68 1.99 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 1.62 0.57 0.83 0.00 0.00 45 E 8.28 4.05 0.00 2.01 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 2.31 2.57 0.00 46 R 7.61 4.45 0.00 1.80 1.95 0.00 3.23 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 47 G 7.72 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 48 E 8.60 4.34 0.00 2.07 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 2.30 2.23 0.00 49 S 7.74 4.66 0.00 3.94 3.80 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 50 S 8.62 4.63 0.00 4.27 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 51 P 0.00 4.49 0.00 2.23 2.09 0.00 3.86 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.80 0.00 52 T 8.25 4.57 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.80 2.84 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 0.00 130 I 9.08 5.45 2.06 0.00 0.00 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 1.42 1.32 1.00 0.00 0.00 131 H 9.31 5.29 0.00 3.29 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.88 4.24 2.32 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 0.97 0.00 0.00 1.04 0.00 0.00 133 L 9.14 4.43 0.00 1.68 1.72 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.18 4.52 0.00 2.03 1.77 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 2.31 2.34 0.00 135 G 8.86 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 0.00 0.00 0.00 136 I 7.96 5.12 1.87 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 0.99 1.19 0.90 0.00 0.00 *138 K 8.14 4.67 0.00 2.07 1.94 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 0.90 7.81 139 V 8.96 4.88 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 0.76 0.00 0.00 0.96 0.00 0.00 140 F 8.06 4.40 0.00 1.51 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 0.00 0.00 0.00 141 F 7.36 4.30 0.00 2.80 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 0.00 0.00 0.00 142 D 10.01 4.27 0.00 2.69 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 0.00 143 E 8.29 3.68 0.00 1.98 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 2.12 2.18 0.00 144 Q 6.29 4.39 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.92 0.00 0.00 0.00 0.00 0.00 1.96 1.61 0.00 145 W 8.55 4.96 0.00 3.15 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 0.00 146 H 9.14 4.76 0.00 2.99 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.85 4.61 0.00 1.97 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 2.25 2.30 0.00 148 L 8.38 4.92 0.00 1.71 1.54 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 9.50 4.46 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 150 Q 7.68 4.07 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 151 G 9.31 4.16 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 0.00 152 E 8.19 4.45 0.00 2.07 1.87 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 2.33 2.43 0.00 153 H 7.97 5.48 0.00 3.19 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.40 4.48 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.41 1.08 0.00 0.00 155 R 8.32 4.98 0.00 0.90 1.01 0.00 2.28 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.22 0.00 156 F 7.55 4.19 0.00 1.78 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 0.00 157 F 8.31 4.41 0.00 2.94 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 0.00 158 S 8.81 4.57 0.00 3.67 3.59 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 0.00 159 D 7.95 5.16 0.00 2.85 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 0.00 160 Q 7.43 4.70 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.11 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 161 P 0.00 4.79 0.00 2.04 2.05 0.00 3.70 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 2.06 2.12 0.00 162 H 7.67 5.28 0.00 2.88 3.17 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 7.40 3.80 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 0.00 0.00 0.00 164 Y 9.12 5.60 0.00 2.98 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 9.06 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.76 4.26 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 V 8.73 3.59 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 0.74 0.00 0.00 0.83 0.00 0.00 168 T 7.52 4.30 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 1.21 0.00 0.00 169 E 9.00 4.19 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 170 K 7.95 5.09 0.00 1.73 1.65 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.55 7.81 171 A 8.77 4.98 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 0.00 172 V 8.95 5.09 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 1.05 0.00 0.00 0.96 0.00 0.00 173 F 8.90 5.47 0.00 3.37 3.10 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 0.00 174 Q 9.51 4.78 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 175 N 9.62 5.53 0.00 2.98 2.78 0.00 0.00 6.88 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 0.00 176 I 8.79 4.80 1.96 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.85 0.00 0.00 177 V 9.19 4.63 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 0.74 0.00 0.00 1.18 0.00 0.00 178 A 9.13 5.24 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 0.00 179 Y 9.26 4.85 0.00 3.06 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 P 0.00 4.40 0.00 2.03 2.08 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 181 R 8.58 4.29 0.00 1.83 1.86 0.00 3.26 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.