NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3656 8.4444 118.6591 56.1145 31.3729 174.9419 2 V 3.5756 8.2311 126.3257 60.8454 32.2251 173.5113 3 K 4.4722 9.0051 128.6432 54.6081 35.8864 174.3080 4 V 4.5357 8.4397 127.1672 61.4976 33.2602 173.5510 5 E 5.0090 9.4798 130.7414 54.3540 31.4293 174.4929 6 E 5.4501 8.6945 124.2760 55.1225 33.2596 174.6713 7 S 4.3777 9.4040 114.7889 58.5259 66.9208 173.4533 8 G 3.7773 8.2554 105.7674 44.5607 0.0000 172.1462 9 G 3.6490 7.7832 105.3805 44.2626 0.0000 171.1025 10 G 3.6473 7.1494 103.1594 43.9545 0.0000 171.8246 11 L 5.2856 8.2017 121.9996 53.5507 44.4942 177.3135 12 V 4.6751 8.5720 117.3172 59.7044 36.7466 174.7838 13 Q 5.0814 8.4480 120.3583 54.0389 30.3245 174.0784 14 P 4.4720 0.0000 0.0000 64.8237 31.8154 176.8885 15 G 3.9490 9.6149 111.2765 45.1231 0.0000 173.8129 16 G 4.2020 8.1081 107.4623 45.8954 0.0000 172.6538 17 S 5.2684 8.2003 113.7868 57.3276 67.6712 173.2326 18 M 4.5929 8.6422 120.0546 54.4047 36.0862 173.1321 19 K 4.8321 8.5960 126.5455 54.5833 34.6739 175.0225 20 I 4.7213 8.1802 121.0439 59.5739 41.0348 174.1457 21 S 5.4565 8.8275 115.5724 58.1098 66.5830 170.9352 22 C 5.3915 9.3849 114.7704 54.5748 43.8705 172.9995 23 V 5.5451 9.0239 112.9695 58.6405 34.6537 174.8348 24 V 4.7457 8.3341 124.9408 61.2134 33.2297 174.8083 25 S 4.5455 9.0460 121.5819 57.2329 66.3889 174.8548 26 G 3.8452 8.6315 109.1479 46.0414 0.0000 174.4270 *30 S 4.5996 7.8308 113.3873 58.2821 64.5656 174.5625 31 N 4.9258 8.3795 116.1510 52.0627 38.4728 174.2190 32 Y 4.8354 7.8232 115.8778 54.8953 40.7352 174.8557 33 W 4.9739 8.5467 122.5406 55.8941 31.0977 175.4252 34 M 5.0063 8.7438 120.5425 53.6190 35.3572 174.7986 35 S 5.3000 9.0883 116.6147 56.4651 67.7453 172.4336 36 W 5.2815 9.2741 119.8321 54.9057 32.1551 175.0852 37 V 5.1248 9.2674 124.0678 61.1023 34.2632 174.3153 38 R 5.0469 9.3764 124.3132 54.3730 32.5134 174.4857 39 Q 5.5743 9.4843 122.2209 53.5355 32.0841 174.3135 40 S 4.9916 8.5032 119.2560 56.0784 66.4328 173.3469 41 P 4.3623 0.0000 0.0000 65.1516 31.3810 177.6271 42 E 4.2899 8.1642 115.0011 57.4164 30.2076 177.0001 43 K 4.4616 7.8599 115.5927 54.8949 34.2807 178.2053 44 G 3.7595 8.0565 108.4173 45.8032 0.0000 172.9341 45 L 4.7649 8.5212 122.6574 54.3056 42.3754 175.8261 46 E 4.8087 9.4552 123.9355 53.9184 32.5622 175.3789 47 W 4.7320 9.2475 135.0000 57.8138 31.0996 175.8501 48 V 4.2156 8.3985 119.1029 61.9709 34.4753 175.2466 49 A 4.2988 6.5138 118.3946 51.2861 22.3644 174.8315 50 E 5.2594 8.5886 119.4303 55.0762 34.0016 173.7540 51 I 4.6695 9.1695 125.6448 59.5676 40.8340 175.6571 52 R 3.8660 8.5450 126.6776 57.3535 32.3173 176.3160 *57 T 4.0410 7.5395 104.9646 61.4939 69.9604 172.4002 58 Y 4.8350 8.1105 119.4610 56.6905 42.5288 173.9648 59 Y 5.1344 8.6256 118.1859 55.9051 42.2784 175.1011 60 A 4.3920 8.8595 125.3034 52.1227 19.1500 178.4922 61 E 3.9840 9.2799 120.2849 59.6296 29.7586 179.9655 62 S 4.2718 8.0795 111.5631 60.3726 63.4733 175.0375 63 V 3.9891 7.6084 112.9963 60.3372 32.3637 175.2820 64 K 3.9878 7.4051 119.4390 57.8008 32.1093 177.6417 65 G 3.9229 8.6726 111.8260 45.1254 0.0000 173.9069 66 K 4.3627 7.7574 118.3556 57.1440 34.2033 176.4924 67 F 5.5979 7.8023 116.5523 56.0563 41.6021 175.8995 68 T 4.5267 8.7656 118.1806 62.0018 71.6556 172.8181 69 I 5.0166 9.9329 128.9246 60.1139 39.8002 174.6740 70 S 4.9108 8.8759 121.0522 57.9661 66.6283 173.6810 71 R 4.9869 8.5221 115.9954 54.9741 32.6311 174.2472 72 D 4.8476 8.9577 122.0309 52.7159 41.6659 176.5089 73 D 4.6291 8.9091 127.0096 57.0141 41.3609 178.7202 74 S 4.2660 7.9810 113.3583 61.3955 62.9115 175.7097 75 K 4.2099 8.0768 117.7933 55.4140 32.5778 176.7187 76 S 3.7266 8.0168 114.5126 59.8151 60.5700 172.0850 77 R 4.9170 8.1659 123.0845 55.1177 31.8593 174.4685 78 L 5.0537 8.6637 128.4287 54.1432 42.9424 173.2334 79 Y 5.4130 9.3789 119.4424 55.7671 42.2961 174.5971 80 L 4.7243 9.0843 123.7022 53.3193 44.9921 174.9816 81 Q 4.3478 8.9577 129.3398 55.4725 30.5849 174.2903 82 M 4.7510 9.2546 127.4940 53.7748 33.4856 174.4548 82A N 5.1455 8.7272 120.6177 50.5555 41.2522 174.6544 82B N 4.4515 8.3092 115.5846 53.4408 36.2326 174.8205 82C L 4.3086 8.1193 118.3041 54.7436 43.1928 177.3820 83 R 4.9389 8.9676 120.7471 54.1601 33.0047 177.4598 84 T 4.2605 8.4688 109.7982 65.0837 68.6217 175.8069 85 E 4.2575 8.0857 119.0669 57.9512 29.6919 176.8830 86 D 4.8306 8.3926 118.3190 55.1673 41.1528 176.5606 87 T 4.3617 7.8684 117.4049 62.7388 69.2399 174.6547 88 G 4.0225 8.4250 112.0032 46.8542 0.0000 170.4332 89 I 4.9328 7.9044 120.8099 60.0152 39.2063 174.8301 90 Y 4.9470 9.0448 125.3506 56.6398 40.0797 174.2018 91 Y 5.4813 9.6767 122.8123 56.4093 40.9526 174.5493 92 C 4.1039 9.4591 122.1394 56.6181 40.5199 172.6217 93 F 4.9480 8.7859 125.4883 56.4814 42.2027 173.6298 94 L 4.5766 8.4672 128.0307 52.6734 42.1318 174.8708 95 P 3.2235 0.0000 0.0000 62.5149 31.4836 176.6839 96 M 4.3359 8.2131 120.2082 55.6556 33.0025 177.0266 *101 D 4.4902 7.8526 118.2188 53.5283 43.0344 175.2076 102 Y 5.1391 7.4277 116.0662 55.8794 41.2625 175.0598 103 W 5.3407 9.2621 122.7931 55.0034 32.6340 176.0391 104 G 4.2081 9.1474 111.0781 45.3149 0.0000 173.4137 105 Q 4.2492 8.8726 117.1470 57.1275 29.0204 176.8323 106 G 3.5170 8.8308 106.7427 45.8264 0.0000 171.9545 107 T 4.5893 8.5536 119.2114 60.0394 70.1021 173.2394 108 S 4.6901 8.6062 123.5998 58.2450 64.0685 172.5931 109 V 4.7691 9.1236 126.8279 61.4463 34.3515 174.0485 110 T 4.9418 8.9727 124.8239 61.6596 71.5960 173.1793 111 V 4.9318 8.3921 126.4862 61.5397 33.6329 174.6638 112 S 4.7721 8.8357 120.1253 57.5366 65.7811 176.6047 113 S 4.1807 9.0340 120.5595 60.4667 63.2369 174.6117 114 A 3.8712 7.4607 124.7413 51.7836 18.4526 176.9343 115 K 4.4999 8.1018 123.0511 54.9213 33.8739 176.2048 116 T 4.4839 8.4126 119.4475 64.4252 69.1760 174.0358 117 T 4.7374 9.1053 122.0959 61.3068 72.3760 172.0493 118 P 4.9592 0.0000 0.0000 61.4897 32.3978 174.5195 119 P 4.7502 0.0000 0.0000 63.0747 32.5644 175.4846 120 S 4.5217 8.6836 117.7877 57.1057 64.7973 173.1655 121 V 4.4593 7.9136 124.3054 61.2329 33.2425 174.2232 122 Y 5.2470 8.8127 125.7079 55.5599 41.4652 173.0958 123 P 4.9877 0.0000 0.0000 62.4765 33.1522 175.3980 124 L 4.7875 9.3192 122.9632 53.1928 43.6049 175.2539 125 A 5.1129 8.4796 125.5154 48.0890 22.2049 175.1139 126 P 4.4368 0.0000 0.0000 63.3385 30.5161 177.5296 *136 S 4.4792 8.6097 111.7151 57.1855 63.6008 170.5220 137 M 5.1881 7.9052 119.3171 53.3532 34.4501 174.9839 138 V 4.4522 9.3788 123.6310 60.2425 34.3150 174.5394 139 T 4.8795 8.3438 119.9489 62.0279 70.6040 173.5250 140 L 4.6203 8.4631 124.8683 53.2949 46.7348 174.8167 141 G 4.5467 8.3982 105.6860 46.4707 0.0000 171.5795 142 C 5.6843 9.6601 116.6183 54.9593 42.9566 173.4276 143 L 4.9101 9.3592 125.1514 53.4735 44.2362 175.2664 144 V 4.5486 9.0132 128.1111 61.2903 32.7665 173.7897 145 K 4.7667 8.8412 129.8300 54.5612 35.0821 175.7144 146 G 4.0545 8.2168 112.8462 47.2216 0.0000 172.0724 147 Y 5.2102 7.5671 115.9439 55.3195 42.3330 175.4917 148 F 5.1313 9.1267 120.6217 56.7755 43.4609 172.0186 149 P 3.6351 0.0000 0.0000 60.8670 33.2986 175.0433 150 E 4.1202 7.9225 119.0433 55.7109 29.8523 174.8239 151 P 4.7610 0.0000 0.0000 61.5393 33.4773 174.8366 152 V 4.6374 7.5279 111.9144 59.7513 34.4929 175.3694 153 T 4.6676 8.4743 112.5232 59.9281 71.6260 173.1547 154 V 4.8387 8.2426 122.5414 61.5446 34.4292 174.5972 155 T 4.8197 8.8238 122.9613 61.5640 73.3294 172.6071 156 W 4.9967 8.6726 122.9758 55.5376 32.1944 175.7419 157 N 4.3286 9.7177 122.9059 56.0585 36.0956 174.4935 158 S 3.9381 10.0345 105.7061 60.0248 61.7999 173.7206 159 G 4.1909 8.3367 110.3843 46.3353 0.0000 176.2117 160 S 4.1139 8.0875 115.6701 60.9672 62.9115 174.3712 161 L 4.5735 7.8938 120.2471 53.2897 41.6495 175.3446 162 S 4.6228 8.3610 118.5195 59.3545 65.0217 175.2362 163 S 4.0644 7.9295 116.2826 59.4448 63.1961 174.2951 164 G 3.7447 8.7058 111.5076 45.9005 0.0000 172.3886 165 V 4.4555 7.1551 119.5562 61.6808 32.9864 175.1064 166 H 4.7033 9.0729 124.5670 54.4160 31.5918 172.6217 167 T 5.0163 8.3325 120.6631 61.9302 69.7520 174.7516 168 F 4.4678 9.2929 126.2258 55.7179 40.2915 174.3180 169 P 4.3096 0.0000 0.0000 62.8519 31.7706 176.3642 170 A 4.5997 8.5303 123.7262 52.1986 19.4374 176.8227 171 V 4.5151 8.7792 120.1394 60.9321 34.8174 174.1868 172 L 4.3616 8.5272 129.7171 54.1395 43.0168 175.7539 173 Q 4.3163 8.6214 125.2564 55.1809 32.0282 175.6798 174 S 3.8668 9.4685 120.1576 59.9491 60.2632 172.6289 175 D 4.3634 8.1729 114.3599 54.6349 38.5509 174.0502 176 L 5.0338 7.3754 118.1635 53.1704 46.0677 175.3174 177 Y 4.8170 8.9527 119.9734 57.2930 40.1275 174.8324 178 T 5.4157 8.8341 118.4136 61.8309 72.7738 173.0321 179 L 5.4883 9.6538 125.2940 54.1883 44.7165 175.1518 180 S 5.3326 8.6389 112.4702 56.9997 67.1026 172.5666 181 S 5.5710 9.4036 115.0083 56.8602 65.9395 172.7796 182 S 5.4741 9.7136 121.2991 56.6059 66.3252 173.2358 183 V 4.4809 8.4164 120.4076 60.1982 34.5546 174.0664 184 T 4.9378 8.2864 120.6311 61.9041 70.4818 173.9878 185 V 4.5801 8.6852 118.8470 58.5083 36.7575 173.5388 186 P 4.6771 0.0000 0.0000 62.7160 32.0856 178.1916 187 S 4.2693 9.2647 118.7494 61.6624 62.8817 176.5542 188 S 4.4796 8.1379 112.8354 59.6963 63.2303 174.4109 189 T 4.7002 8.0963 110.3679 60.4967 70.1315 173.8054 190 W 5.3390 7.7193 130.1983 55.0862 33.6250 172.6806 191 P 3.2947 0.0000 0.0000 62.6158 31.0454 177.1096 192 S 4.1196 7.8864 116.2525 61.1249 62.6898 174.2775 193 E 4.7518 7.8519 118.4040 54.2942 31.6250 175.3835 194 T 4.3504 8.2789 111.4621 61.5505 69.9604 174.0434 195 V 4.8785 8.6133 123.2494 61.6470 35.0517 174.1887 196 T 5.2510 9.2940 123.6407 62.1364 72.8747 170.2104 197 C 4.1331 8.7721 121.6495 53.7929 42.2452 172.2972 198 N 5.1027 9.0351 121.9714 51.7074 40.1550 173.9209 199 V 4.7425 8.8175 124.7275 60.8126 34.2728 174.0881 200 A 5.0502 8.6132 129.1436 50.5192 22.2623 174.5544 201 H 4.8978 9.0964 121.3145 53.3674 30.7568 171.9541 202 P 4.1338 0.0000 0.0000 64.9321 31.6795 178.5983 203 A 3.8869 7.8153 120.0346 54.5987 18.1232 178.0510 204 S 4.6720 7.7032 107.4713 57.2583 63.4002 174.0645 205 S 3.6784 7.8977 115.0123 60.2915 60.9398 172.1826 206 T 4.6157 7.6229 114.9531 62.1859 70.6347 174.8190 207 K 4.9507 8.4086 124.3328 54.9317 36.0725 175.7872 208 V 4.4149 9.2248 124.4103 61.2360 35.4870 174.0836 209 D 5.1440 8.6293 125.3922 52.3134 42.7041 174.0633 210 K 4.3156 8.7810 125.5553 54.7493 33.3963 175.5280 211 K 4.6136 8.7155 129.6190 56.5219 33.2182 176.2236 212 I 4.4585 8.8494 128.8076 60.3610 37.6196 175.5664 213 V 4.5783 8.4266 120.9392 58.5865 33.5077 174.6455 214 P 4.7967 0.0000 0.0000 62.8540 31.9689 176.5957 215 R 4.1834 8.5932 117.9240 56.7266 30.1011 176.5469 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 1 E 8.44 4.37 0.00 1.77 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 2.13 1.89 0.00 2 V 8.23 3.58 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 0.00 0.00 -0.03 0.00 0.00 0.58 0.00 0.00 3 K 9.01 4.47 0.00 1.75 1.50 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 4 V 8.44 4.54 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 0.85 0.00 0.00 0.94 0.00 0.00 5 E 9.48 5.01 0.00 2.01 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 2.22 2.23 0.00 6 E 8.69 5.45 0.00 2.32 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 7 S 9.40 4.38 0.00 3.87 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 8 G 8.26 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 0.00 0.00 0.00 9 G 7.78 3.65 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 0.00 0.00 0.00 10 G 7.15 3.65 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 0.00 0.00 0.00 11 L 8.20 5.29 0.00 1.64 1.56 1.18 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.57 4.68 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 0.67 0.00 0.00 0.93 0.00 0.00 13 Q 8.45 5.08 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 14 P 0.00 4.47 0.00 2.04 2.02 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 15 G 9.61 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 16 G 8.11 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.20 5.27 0.00 3.69 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 18 M 8.64 4.59 0.00 1.85 1.72 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 19 K 8.60 4.83 0.00 1.80 1.61 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.47 7.81 20 I 8.18 4.72 1.84 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.63 0.00 0.00 21 S 8.83 5.46 0.00 3.61 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 22 C 9.38 5.39 0.00 2.96 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 23 V 9.02 5.55 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 0.81 0.00 0.00 0.90 0.00 0.00 24 V 8.33 4.75 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.81 0.00 0.00 25 S 9.05 4.55 0.00 3.78 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 26 G 8.63 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 *30 S 7.83 4.60 0.00 4.10 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 31 N 8.38 4.93 0.00 2.78 2.89 0.00 0.00 6.66 7.46 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 32 Y 7.82 4.84 0.00 3.01 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.55 4.97 0.00 3.29 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 34 M 8.74 5.01 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 35 S 9.09 5.30 0.00 4.34 4.33 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 36 W 9.27 5.28 0.00 3.26 3.21 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 37 V 9.27 5.12 2.34 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 1.35 0.00 0.00 1.10 0.00 0.00 38 R 9.38 5.05 0.00 0.93 0.94 0.00 2.61 0.00 0.00 2.88 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 39 Q 9.48 5.57 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 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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 61 E 9.28 3.98 0.00 2.07 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 0.00 2.50 2.32 0.00 62 S 8.08 4.27 0.00 3.94 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 63 V 7.61 3.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.76 0.00 0.00 64 K 7.41 3.99 0.00 1.75 1.71 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.56 1.66 7.81 65 G 8.67 3.92 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 0.00 66 K 7.76 4.36 0.00 1.46 1.93 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.37 7.81 67 F 7.80 5.60 0.00 2.63 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 68 T 8.77 4.53 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.84 0.00 3.70 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 120 S 8.68 4.52 0.00 3.34 3.46 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 0.00 121 V 7.91 4.46 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.77 0.00 0.00 122 Y 8.81 5.25 0.00 2.95 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 0.00 123 P 0.00 4.99 0.00 2.18 2.24 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 124 L 9.32 4.79 0.00 1.74 1.65 1.00 0.69 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 0.00 125 A 8.48 5.11 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 0.00 126 P 0.00 4.44 0.00 2.27 1.23 0.00 3.65 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.01 0.00 *136 S 8.61 4.48 0.00 3.96 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 0.00 137 M 7.91 5.19 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 138 V 9.38 4.45 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 0.98 0.00 0.00 0.91 0.00 0.00 139 T 8.34 4.88 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 1.17 0.00 0.00 140 L 8.46 4.62 0.00 0.99 1.18 -0.15 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.40 4.55 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 0.00 0.00 0.00 142 C 9.66 5.68 0.00 2.73 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 0.00 143 L 9.36 4.91 0.00 1.81 1.71 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 144 V 9.01 4.55 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 0.56 0.00 0.00 0.85 0.00 0.00 145 K 8.84 4.77 0.00 1.94 1.66 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.43 7.81 146 G 8.22 4.05 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 0.00 0.00 0.00 147 Y 7.57 5.21 0.00 2.94 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 0.00 148 F 9.13 5.13 0.00 3.24 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 0.00 149 P 0.00 3.64 0.00 1.75 1.49 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 150 E 7.92 4.12 0.00 1.51 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 151 P 0.00 4.76 0.00 2.10 1.97 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 152 V 7.53 4.64 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 -0.17 0.00 0.00 0.66 0.00 0.00 153 T 8.47 4.67 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 1.17 0.00 0.00 154 V 8.24 4.84 2.05 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 0.56 0.00 0.00 0.85 0.00 0.00 155 T 8.82 4.82 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 1.26 0.00 0.00 156 W 8.67 5.00 0.00 3.42 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 0.00 157 N 9.72 4.33 0.00 2.93 2.87 0.00 0.00 6.83 8.31 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 0.00 158 S 10.03 3.94 0.00 3.91 3.90 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 0.00 159 G 8.34 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 0.00 0.00 0.00 160 S 8.09 4.11 0.00 3.94 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 0.00 161 L 7.89 4.57 0.00 1.72 1.60 0.98 0.79 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 0.00 162 S 8.36 4.62 0.00 3.97 4.08 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 0.00 163 S 7.93 4.06 0.00 3.85 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 0.00 164 G 8.71 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 0.00 165 V 7.16 4.46 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 0.94 0.00 0.00 0.94 0.00 0.00 166 H 9.07 4.70 0.00 3.00 2.49 0.00 5.64 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 T 8.33 5.02 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 1.28 0.00 0.00 168 F 9.29 4.47 0.00 3.07 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 0.00 169 P 0.00 4.31 0.00 2.14 2.06 0.00 3.89 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 2.11 2.14 0.00 170 A 8.53 4.60 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 0.00 171 V 8.78 4.52 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 0.95 0.00 0.00 1.01 0.00 0.00 172 L 8.53 4.36 0.00 1.06 1.35 -0.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 8.62 4.32 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.09 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 174 S 9.47 3.87 0.00 3.94 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 0.00 175 D 8.17 4.36 0.00 2.69 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 0.00 176 L 7.38 5.03 0.00 1.47 1.45 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 8.95 4.82 0.00 1.61 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 0.00 0.00 0.00 0.00 178 T 8.83 5.42 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 1.36 0.00 0.00 179 L 9.65 5.49 0.00 1.95 1.93 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.64 5.33 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 S 9.40 5.57 0.00 4.07 4.04 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 0.00 0.00 0.00 182 S 9.71 5.47 0.00 3.86 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 0.00 183 V 8.42 4.48 0.67 0.00 0.00 0.00 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 0.45 0.00 0.00 184 T 8.29 4.94 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 1.15 0.00 0.00 185 V 8.69 4.58 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 0.73 0.00 0.00 0.92 0.00 0.00 186 P 0.00 4.68 0.00 2.20 1.98 0.00 3.61 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 2.12 2.11 0.00 187 S 9.26 4.27 0.00 3.93 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 0.00 188 S 8.14 4.48 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 4.70 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 1.24 0.00 0.00 190 W 7.72 5.34 0.00 3.26 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 0.00 191 P 0.00 3.29 0.00 1.55 0.49 0.00 3.52 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.24 0.00 192 S 7.89 4.12 0.00 3.85 3.94 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 0.00 193 E 7.85 4.75 0.00 2.37 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 2.26 2.23 0.00 194 T 8.28 4.35 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 1.26 0.00 0.00 195 V 8.61 4.88 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 1.26 0.00 0.00 1.11 0.00 0.00 196 T 9.29 5.25 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 1.22 0.00 0.00 197 C 8.77 4.13 0.00 1.46 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 9.04 5.10 0.00 2.55 2.80 0.00 0.00 6.09 5.12 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 0.00 199 V 8.82 4.74 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 0.59 0.00 0.00 0.72 0.00 0.00 200 A 8.61 5.05 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 0.00 201 H 9.10 4.90 0.00 2.95 3.05 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 P 0.00 4.13 0.00 2.13 2.03 0.00 3.66 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 2.04 2.02 0.00 203 A 7.82 3.89 1.12 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 0.00 0.00 0.00 204 S 7.70 4.67 0.00 4.03 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 0.00 205 S 7.90 3.68 0.00 3.97 3.94 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 0.00 206 T 7.62 4.62 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 207 K 8.41 4.95 0.00 1.53 1.61 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.38 7.81 208 V 9.22 4.41 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 0.84 0.00 0.00 0.87 0.00 0.00 209 D 8.63 5.14 0.00 2.52 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 0.00 0.00 0.00 0.00 210 K 8.78 4.32 0.00 1.80 1.60 0.00 1.51 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.46 7.81 211 K 8.72 4.61 0.00 1.87 1.76 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.57 7.81 212 I 8.85 4.46 2.03 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 1.68 1.23 0.90 0.00 0.00 213 V 8.43 4.58 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 0.84 0.00 0.00 1.01 0.00 0.00 214 P 0.00 4.80 0.00 2.11 1.70 0.00 3.74 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.57 0.00 215 R 8.59 4.18 0.00 1.89 1.93 0.00 3.40 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 * Residues marked with a * may have inaccurate shift predictions.