NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3891 8.1927 115.2889 58.2772 64.7448 175.4932 3 E 3.8196 8.1504 120.4608 58.8697 29.3101 177.3236 4 R 4.0593 8.7072 119.0162 58.8130 30.8305 178.3199 5 R 4.0549 7.9126 117.4677 59.4440 30.0633 178.2232 6 D 4.3080 8.1698 117.4434 57.4409 41.1698 178.2549 7 A 3.9535 7.9306 120.7268 55.1196 18.3091 179.6859 8 I 3.5935 7.8552 118.2792 64.5360 37.2375 178.7650 9 L 3.5635 7.6927 119.7404 57.2567 41.4295 179.2617 10 K 3.7667 7.6715 119.6340 59.6255 32.1245 178.7053 11 A 4.0107 7.8980 120.8156 55.0501 18.1220 179.8960 12 S 3.9462 8.0578 113.7473 61.5482 62.8145 176.4108 13 A 4.0228 8.3607 123.8325 55.6816 18.1014 179.8291 14 T 3.9688 8.0290 114.5252 66.1404 68.4721 176.6228 15 A 3.9676 7.9374 122.5771 55.2841 18.4235 179.7126 16 I 3.5826 8.0326 118.2124 64.5688 37.0016 178.4384 17 A 4.0000 8.0465 120.3878 55.1407 18.2300 178.9928 18 Q 4.2772 7.9464 114.7933 57.1214 29.5280 176.8950 19 R 4.3751 7.9740 115.2609 54.4873 32.2280 176.4574 20 G 3.9565 8.0642 107.8741 44.2702 0.0000 174.5614 21 I 3.6646 8.2627 118.4807 64.4022 37.0075 179.0433 22 R 3.9917 8.0623 114.8881 58.2237 29.4928 177.2832 23 G 3.7978 7.6475 106.0545 45.4167 0.0000 173.4298 24 L 4.1405 7.4405 122.7202 54.5966 42.3196 176.6421 25 R 4.6383 8.2668 124.7893 53.6265 33.9954 176.1783 26 V 3.4839 8.5203 122.8872 66.5273 31.3815 177.9979 27 N 4.3934 8.0604 115.3451 56.2901 38.3648 177.1069 28 D 4.2766 7.9413 119.8279 57.2194 41.0303 178.4764 29 V 3.5325 7.9600 118.7992 66.1440 31.3998 177.8376 30 A 3.9431 8.3938 120.5008 55.1566 18.2294 179.3705 31 E 3.8595 8.3157 117.1054 59.6816 29.3735 179.5883 32 V 3.5758 8.2192 116.9457 65.9723 31.6217 177.1661 33 A 4.3311 8.0127 117.5603 51.7166 18.6922 177.4998 34 G 3.8006 7.9690 105.1305 46.4122 0.0000 173.6591 35 V 4.5414 7.8380 112.3065 58.9386 35.5654 175.1734 36 S 4.6529 8.1704 114.3943 56.7666 64.6321 173.2147 37 P 4.1399 0.0000 0.0000 66.1706 30.9270 179.1634 38 G 3.8192 8.1272 103.6587 47.6540 0.0000 175.3767 39 L 4.0082 8.0414 122.7193 57.7715 42.0314 178.7565 40 L 4.1282 7.6905 120.5070 58.5678 41.9757 178.6831 41 Y 4.3930 7.9221 116.6512 61.0737 37.5256 177.6255 42 Y 4.1113 8.3013 120.2586 61.2658 38.9582 177.7588 43 H 4.0926 8.0277 115.4536 57.3966 29.2109 176.6576 44 F 4.8307 8.2456 116.8435 56.0373 40.0793 176.3712 45 K 4.3742 9.7991 124.4108 56.5564 32.3121 175.6064 46 D 4.8011 7.3592 115.1674 51.5537 43.1091 175.7279 47 R 3.9031 8.5483 118.4339 59.5863 29.9197 178.0297 48 I 3.8019 7.8422 118.2388 63.9371 38.0686 177.8576 49 G 4.1737 8.7581 108.3783 47.1290 0.0000 175.2845 50 L 3.5767 8.1990 122.8025 57.8994 42.0366 179.2328 51 L 3.8851 7.8879 118.8025 57.5363 41.6490 178.7643 52 E 3.9015 8.4358 119.4574 59.6034 29.4607 178.9778 53 A 4.0971 8.1750 120.2077 54.9559 18.3692 179.5300 54 A 3.9189 8.2090 119.8945 55.1109 18.4588 179.5062 55 L 4.0391 8.5746 118.0612 58.4786 41.8125 179.7704 56 N 4.4766 8.2239 115.8411 56.2332 38.4337 176.7056 57 Y 4.0308 8.4103 121.3537 60.9793 38.8407 178.4473 58 I 3.7037 8.0793 120.4658 64.3955 37.2400 178.0012 59 N 4.0490 8.3046 117.7854 56.6791 38.7400 176.5111 60 D 4.2914 8.5128 120.6484 57.4116 40.4376 178.8723 61 R 3.7113 8.1148 119.1811 59.2760 29.9732 178.4402 62 A 3.9869 8.2391 120.9667 55.0783 18.4175 179.2449 63 R 3.7196 8.2553 117.4652 59.7791 29.7974 178.2658 64 A 3.8828 7.4376 118.6902 55.6161 18.5284 178.9626 65 Y 4.0941 7.6005 113.6218 60.8367 37.4797 178.4511 66 R 4.1529 8.4631 119.7390 57.9681 30.1378 177.9218 67 S 4.6336 7.6742 110.8407 57.3107 63.7519 173.2608 68 E 3.9713 7.5357 121.7796 58.5038 29.3363 176.9734 69 G 3.8550 9.1206 116.9770 45.5425 0.0000 173.1613 70 E 3.9774 7.7843 115.7615 56.6685 30.0124 181.8032 71 G 3.8424 8.5239 101.7203 48.1473 0.0000 174.7689 *73 G 3.7245 7.9891 107.7402 45.7985 0.0000 174.7299 74 D 4.5265 8.0597 118.7493 55.2193 41.1696 179.9132 75 S 4.4797 8.3437 114.7924 57.6052 65.1240 175.1772 76 A 3.9803 9.0961 124.2492 55.0500 17.9071 179.8575 77 R 3.8067 7.9758 116.8170 59.7591 30.1433 178.1232 78 D 4.3601 8.4013 118.8767 57.6259 40.8658 179.2854 79 R 3.9320 7.9269 118.2049 59.1497 30.1319 179.0726 80 L 3.9939 8.3457 119.1821 58.0773 41.5653 179.7214 81 T 3.8408 8.1307 115.8102 66.6760 68.4588 176.6229 82 R 3.8509 8.0788 120.5632 59.3730 29.8416 178.3756 83 S 4.3031 7.7518 113.0238 61.0334 62.2605 175.9142 84 L 4.2167 8.0005 121.5596 57.8575 41.3929 179.5768 85 L 4.1297 8.3195 119.2429 57.3683 41.3479 179.5092 86 G 3.7763 7.9868 104.9498 47.5974 0.0000 175.1241 87 E 4.2542 7.6303 118.6347 57.3392 29.6958 176.6735 88 I 3.6100 7.1857 118.2158 59.3098 38.6194 174.4785 89 Q 4.5172 7.7782 122.4660 54.6678 33.1278 175.7325 90 D 4.9190 8.5428 122.8019 53.6347 39.8050 176.8320 91 R 4.7020 7.3452 118.9373 52.9670 35.1340 174.2606 92 P 4.2300 0.0000 0.0000 65.9714 31.3855 178.8689 93 E 3.9515 8.1045 116.6956 59.4118 29.4524 179.4690 94 V 3.3080 7.3300 117.8124 65.6347 31.5424 178.1765 95 V 3.5836 7.9449 118.1360 65.9135 31.3002 177.5520 96 E 3.8966 8.3167 119.2313 59.4485 29.4253 178.3553 97 N 4.4373 8.4560 116.8252 56.4980 38.5309 177.3255 98 S 4.1626 8.1654 114.2903 61.3293 62.5609 176.0388 99 L 3.9761 8.3440 121.8916 57.9027 41.3335 179.4752 100 A 4.0189 8.2147 120.5954 54.8170 18.3398 179.5209 101 W 3.8849 8.5486 127.0380 60.5584 30.8849 177.3829 102 N 4.3416 8.7181 117.5089 57.0386 38.2322 176.5045 103 E 3.9284 8.2977 119.4536 59.4717 29.6003 179.3606 104 L 3.7858 7.9455 119.0897 57.6420 41.4002 179.5394 105 R 3.6165 7.8577 117.5697 59.3788 29.9372 178.1309 106 A 4.1194 7.9409 120.4927 55.3090 18.3637 179.8214 107 S 3.4147 8.1848 113.5311 61.0422 62.6849 176.4195 108 A 4.2239 7.5367 122.2344 53.9927 18.0505 179.4304 109 V 3.6632 6.9997 115.7961 65.4831 31.8086 176.7349 110 Y 4.9254 7.0598 113.1332 56.0733 39.7966 175.8630 111 E 4.4254 7.8460 122.1458 54.6412 30.0766 175.7288 112 E 3.9439 8.5254 125.5073 58.8832 29.6506 178.0984 113 A 4.0549 7.9036 119.7341 54.8440 18.7678 179.0034 114 L 4.0569 7.8009 116.7167 57.1206 41.5273 179.8024 115 R 3.8597 7.7599 118.8338 59.2023 30.0117 178.6175 116 D 4.3242 7.9523 118.0511 56.9617 40.8860 176.8394 117 P 4.2437 0.0000 0.0000 65.5281 31.3670 178.3375 118 L 3.8098 7.9362 118.8458 58.0980 41.8586 178.8231 119 A 4.0898 8.3540 121.0338 55.2848 18.3965 179.9278 120 R 3.9303 7.9967 116.5507 59.7221 30.3301 179.4475 121 T 4.0824 8.3841 115.9305 67.0109 68.4893 176.9932 122 T 4.4179 8.7936 117.9978 66.7722 68.5066 176.5334 123 A 4.1206 8.5558 122.7928 55.0378 18.1386 179.5725 124 A 4.0112 7.8568 118.1441 54.9310 18.6457 179.4002 125 W 4.3966 8.2482 126.5278 60.7806 30.8810 178.1021 126 V 3.2803 8.2161 118.6184 66.2847 30.7750 177.9211 127 S 4.2194 8.2706 112.5315 61.3025 62.2846 175.9863 128 E 4.0093 8.0519 121.6196 59.3615 29.2158 179.4567 129 I 3.6844 7.6569 119.0780 64.2118 37.2477 177.9269 130 A 3.9486 8.4005 121.9638 55.3939 18.1304 179.1518 131 D 4.2166 8.5029 116.5243 57.3093 41.2834 178.1133 132 A 3.9784 7.8736 120.9541 55.3752 18.3016 179.7064 133 I 3.6257 7.7489 118.0588 64.5267 37.3324 178.8067 134 V 3.5637 8.0228 119.3071 66.1237 31.3216 178.0383 135 Q 3.9806 8.3250 117.6195 59.0555 28.5871 178.7806 136 A 4.1650 8.0072 122.8730 54.4651 18.0626 179.7019 137 Q 3.9881 8.3377 116.8856 58.7662 28.4923 178.5840 138 A 4.0172 7.7065 121.3246 55.2851 18.7887 179.4705 139 T 4.0835 7.8886 107.5107 62.8281 68.7294 176.4772 140 G 3.9718 7.4637 108.9252 45.7853 0.0000 174.3795 141 E 4.1502 8.0758 119.8649 57.8618 29.6947 177.2320 142 I 4.6000 7.2280 118.1162 58.6040 40.5783 174.8780 143 S 3.9515 8.8711 119.5051 59.8531 62.2703 175.9401 144 R 4.2641 8.5746 124.8338 57.3712 29.4933 174.4182 145 S 4.3303 8.0778 112.6547 61.8806 63.3571 175.4981 146 L 3.9366 7.3301 120.4159 54.4988 41.9586 176.6339 147 D 4.5461 8.5823 122.6252 52.7977 42.0398 174.7027 148 P 4.1990 0.0000 0.0000 65.9595 31.3513 178.1421 149 Q 3.8873 7.9645 117.2260 58.8940 29.0500 176.1823 150 P 4.1990 0.0000 0.0000 65.9774 31.1453 178.7042 151 T 3.7999 7.7602 113.2699 66.5937 68.4270 176.2719 152 A 4.0039 7.7944 121.6061 54.8443 18.5856 179.4953 153 V 3.5987 7.9465 117.0875 66.3886 31.4826 179.0188 154 T 4.0573 7.8843 112.1816 64.6722 67.9014 176.0782 *156 T 3.6643 7.9098 113.6706 61.3901 70.6582 175.8554 157 A 3.9818 8.0667 124.1593 54.7468 18.2052 179.2181 158 L 3.8717 8.1878 119.2019 58.3367 42.0942 179.3260 159 V 3.6377 7.7999 117.5463 66.2030 31.5238 177.6850 160 E 4.3021 8.5285 118.4091 59.4104 29.2237 179.6220 161 G 3.6758 8.4744 105.9844 47.8259 0.0000 175.7705 162 L 4.0990 8.3572 122.0807 57.6962 41.5676 179.7942 163 S 4.5528 8.7426 115.6889 61.6042 62.9057 176.9829 164 G 3.7278 8.4418 108.4832 48.0456 0.0000 176.0338 165 R 4.1457 7.9814 120.7346 58.4787 30.0857 178.9103 166 W 4.5960 8.4124 129.7825 60.1463 30.5615 178.1052 167 L 3.8001 8.2289 117.4729 57.0731 41.0586 178.1688 168 C 4.4158 7.4766 113.8518 58.6459 28.2081 173.4321 169 K 3.8812 7.5195 118.5363 57.3342 29.8955 176.1511 170 E 4.1987 8.4147 121.6876 57.8304 29.6628 176.5007 171 I 4.7135 7.4899 117.7986 58.0852 41.3352 174.5112 172 S 4.5521 8.4566 121.3067 58.0501 65.1908 175.4495 173 T 3.7255 8.6859 119.6381 67.0104 68.2959 176.6817 174 E 3.9225 8.1540 118.7919 59.3246 29.5604 178.7661 175 D 4.1304 8.2187 119.6047 57.1068 40.9430 178.3828 176 A 3.8747 8.0222 121.3815 55.2860 18.3354 179.9079 177 R 3.7343 7.9841 116.5735 59.4125 30.1449 179.2847 178 S 4.0814 7.9545 112.9436 61.7030 62.2857 175.9685 179 H 4.3518 8.3115 119.1584 58.7167 28.4354 177.7546 180 L 3.9896 7.9225 120.9388 57.7082 41.3615 179.5172 181 L 4.0928 8.1089 119.0892 57.7598 41.5049 179.8703 182 G 3.5448 8.1651 105.4464 47.5340 0.0000 175.4289 183 A 3.9908 8.3000 123.6466 55.1557 18.1721 179.7038 184 I 3.6041 7.5346 116.6824 64.5125 37.2481 177.6687 185 D 4.4763 7.9893 117.6823 57.5148 41.1010 178.3554 186 V 3.7669 7.7128 117.2313 65.7246 31.6640 179.6198 187 V 3.7103 7.7297 117.1666 62.8518 31.5016 175.8574 *189 S 4.2320 8.1529 118.4583 58.3908 63.1653 173.8657 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 S 8.19 4.39 0.00 3.87 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 3 E 8.15 3.82 0.00 2.17 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 2.39 2.48 0.00 4 R 8.71 4.06 0.00 1.94 2.00 0.00 3.22 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 5 R 7.91 4.05 0.00 1.85 2.10 0.00 2.77 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.30 0.00 6 D 8.17 4.31 0.00 2.96 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 7 A 7.93 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.86 3.59 2.16 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.78 0.00 0.00 9 L 7.69 3.56 0.00 0.79 0.76 1.02 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.67 3.77 0.00 1.84 1.94 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.56 7.81 11 A 7.90 4.01 1.34 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 0.00 0.00 0.00 12 S 8.06 3.95 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.36 4.02 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 14 T 8.03 3.97 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 15 A 7.94 3.97 1.34 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 0.00 0.00 0.00 16 I 8.03 3.58 1.86 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 1.42 0.86 0.89 0.00 0.00 17 A 8.05 4.00 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 18 Q 7.95 4.28 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 19 R 7.97 4.38 0.00 1.89 1.90 0.00 3.35 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 20 G 8.06 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 0.00 0.00 0.00 21 I 8.26 3.66 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.05 0.88 0.00 0.00 22 R 8.06 3.99 0.00 1.93 2.10 0.00 3.07 0.00 0.00 3.25 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 23 G 7.65 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 24 L 7.44 4.14 0.00 1.58 1.78 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.27 4.64 0.00 1.98 1.76 0.00 3.21 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 26 V 8.52 3.48 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.88 0.00 0.00 27 N 8.06 4.39 0.00 2.85 2.85 0.00 0.00 7.13 8.08 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 28 D 7.94 4.28 0.00 2.78 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 29 V 7.96 3.53 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 1.01 0.00 0.00 0.93 0.00 0.00 30 A 8.39 3.94 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 31 E 8.32 3.86 0.00 2.34 2.00 0.00 0.00 0.00 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 2.19 0.00 32 V 8.22 3.58 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.99 0.00 0.00 33 A 8.01 4.33 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 34 G 7.97 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 35 V 7.84 4.54 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 0.84 0.00 0.00 0.94 0.00 0.00 36 S 8.17 4.65 0.00 4.00 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 37 P 0.00 4.14 0.00 2.23 2.13 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 38 G 8.13 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 0.00 0.00 0.00 39 L 8.04 4.01 0.00 1.79 1.84 0.91 0.57 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 40 L 7.69 4.13 0.00 1.66 1.61 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.92 4.39 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.30 4.11 0.00 2.96 3.07 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 43 H 8.03 4.09 0.00 2.36 2.04 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.25 4.83 0.00 3.26 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 45 K 9.80 4.37 0.00 1.92 2.06 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.37 7.81 46 D 7.36 4.80 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.55 3.90 0.00 1.98 2.01 0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 48 I 7.84 3.80 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 1.57 1.34 1.00 0.00 0.00 49 G 8.76 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 50 L 8.20 3.58 0.00 1.69 1.82 0.38 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.89 3.89 0.00 1.84 1.63 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 60 D 8.51 4.29 0.00 2.68 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 61 R 8.11 3.71 0.00 1.64 1.93 0.00 3.40 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 62 A 8.24 3.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.26 3.72 0.00 1.89 2.02 0.00 3.11 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 64 A 7.44 3.88 1.09 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 0.00 0.00 65 Y 7.60 4.09 0.00 3.16 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 66 R 8.46 4.15 0.00 1.98 1.99 0.00 3.18 0.00 0.00 3.58 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 67 S 7.67 4.63 0.00 3.97 4.03 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 68 E 7.54 3.97 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 69 G 9.12 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 0.00 0.00 0.00 70 E 7.78 3.98 0.00 2.01 1.80 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 2.27 2.15 0.00 71 G 8.52 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 *73 G 7.99 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 74 D 8.06 4.53 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.34 4.48 0.00 4.17 4.03 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 76 A 9.10 3.98 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 77 R 7.98 3.81 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.33 7.55 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 0.98 0.00 0.00 -0.13 0.00 0.00 95 V 7.94 3.58 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 0.78 0.00 0.00 0.92 0.00 0.00 96 E 8.32 3.90 0.00 2.12 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 2.33 2.36 0.00 97 N 8.46 4.44 0.00 2.86 2.79 0.00 0.00 6.71 7.16 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 98 S 8.17 4.16 0.00 4.16 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 0.00 99 L 8.34 3.98 0.00 1.83 1.70 0.85 0.51 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 0.00 100 A 8.21 4.02 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 0.00 101 W 8.55 3.88 0.00 3.59 3.26 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 0.00 102 N 8.72 4.34 0.00 3.10 3.04 0.00 0.00 7.29 7.28 0.00 0.00 0.00 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8.35 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.00 3.93 0.00 2.10 2.04 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 121 T 8.38 4.08 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 122 T 8.79 4.42 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 123 A 8.56 4.12 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 0.00 124 A 7.86 4.01 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 0.00 125 W 8.25 4.40 0.00 3.49 3.36 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 0.00 126 V 8.22 3.28 2.25 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 0.66 0.00 0.00 0.75 0.00 0.00 127 S 8.27 4.22 0.00 4.07 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 0.00 128 E 8.05 4.01 0.00 2.20 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 2.38 2.67 0.00 129 I 7.66 3.68 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 1.65 0.89 0.83 0.00 0.00 130 A 8.40 3.95 1.27 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 0.00 0.00 0.00 131 D 8.50 4.22 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.87 3.98 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 0.00 133 I 7.75 3.63 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.89 0.00 0.00 134 V 8.02 3.56 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 1.03 0.00 0.00 1.00 0.00 0.00 135 Q 8.33 3.98 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 136 A 8.01 4.17 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 0.00 137 Q 8.34 3.99 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 138 A 7.71 4.02 1.34 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 0.00 0.00 0.00 139 T 7.89 4.08 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 1.27 0.00 0.00 140 G 7.46 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 0.00 141 E 8.08 4.15 0.00 1.99 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 2.34 2.27 0.00 142 I 7.23 4.60 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.90 0.00 0.00 143 S 8.87 3.95 0.00 3.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.57 4.26 0.00 1.87 1.82 0.00 3.32 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 145 S 8.08 4.33 0.00 3.97 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 0.00 146 L 7.33 3.94 0.00 1.66 1.64 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.58 4.55 0.00 2.77 2.54 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 0.00 148 P 0.00 4.20 0.00 2.17 2.09 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 149 Q 7.96 3.89 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 150 P 0.00 4.20 0.00 2.17 2.07 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 2.24 2.17 0.00 151 T 7.76 3.80 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 1.17 0.00 0.00 152 A 7.79 4.00 1.30 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 0.00 0.00 0.00 153 V 7.95 3.60 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 1.07 0.00 0.00 0.93 0.00 0.00 154 T 7.88 4.06 4.38 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 1.18 0.00 0.00 *156 T 7.91 3.66 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 0.06 0.00 0.00 157 A 8.07 3.98 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 0.00 158 L 8.19 3.87 0.00 1.73 1.66 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 159 V 7.80 3.64 2.53 0.00 0.00 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 1.03 0.00 0.00 160 E 8.53 4.30 0.00 2.42 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 0.00 2.79 2.97 0.00 161 G 8.47 3.68 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 0.00 0.00 0.00 162 L 8.36 4.10 0.00 1.70 1.73 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 163 S 8.74 4.55 0.00 4.17 4.19 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 0.00 164 G 8.44 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 0.00 165 R 7.98 4.15 0.00 2.10 2.08 0.00 3.19 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 166 W 8.41 4.60 0.00 3.39 3.47 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 0.00 167 L 8.23 3.80 0.00 1.64 1.62 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 168 C 7.48 4.42 0.00 3.24 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 0.00 169 K 7.52 3.88 0.00 1.89 1.86 0.00 1.65 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.45 7.81 170 E 8.41 4.20 0.00 1.96 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 2.35 2.27 0.00 171 I 7.49 4.71 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 1.05 0.00 0.00 172 S 8.46 4.55 0.00 4.33 4.03 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 0.00 173 T 8.69 3.73 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 1.24 0.00 0.00 174 E 8.15 3.92 0.00 2.14 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 2.35 2.34 0.00 175 D 8.22 4.13 0.00 2.92 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 A 8.02 3.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 R 7.98 3.73 0.00 1.76 1.90 0.00 3.16 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 178 S 7.95 4.08 0.00 3.94 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 0.00 179 H 8.31 4.35 0.00 3.29 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.92 3.99 0.00 1.83 1.69 0.89 0.62 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 0.00 181 L 8.11 4.09 0.00 1.91 1.70 0.90 0.63 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 0.00 182 G 8.17 3.54 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 0.00 0.00 0.00 183 A 8.30 3.99 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 0.00 184 I 7.53 3.60 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.90 0.00 0.00 185 D 7.99 4.48 0.00 2.75 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 0.00 186 V 7.71 3.77 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 187 V 7.73 3.71 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 0.87 0.00 0.00 0.95 0.00 0.00 *189 S 8.15 4.23 0.00 4.10 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 * Residues marked with a * may have inaccurate shift predictions.