NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3521 8.1733 120.0770 56.3442 34.3641 173.4832 12 L 5.0963 8.3491 119.6325 52.9449 44.4606 174.9403 13 L 4.6603 9.3902 124.0843 52.7404 46.1046 175.3647 14 A 4.3168 8.6719 125.1503 51.2752 19.1666 176.5092 15 L 4.5249 9.0717 122.1354 53.7218 45.4757 176.0113 16 G 4.3244 8.7135 106.0198 43.4615 0.0000 172.9816 17 D 4.4240 8.4427 120.3298 54.0938 41.3752 176.7867 18 S 4.3258 8.3491 114.8974 59.2989 62.9038 173.5005 19 G 3.9687 8.5237 111.9259 46.8220 0.0000 174.9441 20 V 4.0395 7.8052 120.0165 61.0999 32.7746 176.3216 21 G 4.2688 8.2337 110.0297 45.8587 0.0000 176.2148 22 K 3.8872 8.3765 119.5910 59.6810 31.7091 179.1126 23 T 4.0254 7.8836 115.2482 66.5652 68.4224 176.7246 24 T 4.2106 7.8912 117.3308 65.8654 68.7484 176.4118 25 F 4.0182 8.0823 122.6282 61.6097 39.3759 177.3018 26 L 4.2260 8.2861 118.3764 58.0882 41.4244 178.8901 27 Y 4.4243 7.9232 119.5929 59.7199 38.4923 177.5645 28 R 3.7823 7.9373 119.1575 58.7510 30.1524 177.2470 29 Y 4.1612 7.4847 118.7843 60.0101 39.2691 177.2772 30 T 3.8763 7.9997 110.7105 64.5661 68.9195 175.4483 31 D 3.7950 7.3295 117.4658 53.5212 40.7521 172.3195 32 N 5.0378 7.4621 115.1756 51.2503 39.2111 175.2263 33 K 4.3142 8.6880 120.3820 57.2121 32.2247 177.0543 34 F 4.5438 7.8250 120.9783 57.9353 37.7427 173.5824 35 N 4.6435 7.7854 125.3706 49.8805 38.8445 170.5804 36 P 3.9219 0.0000 0.0000 61.6820 32.2050 176.5592 37 K 4.2940 7.7636 123.0802 54.4292 34.4187 175.6302 38 F 4.7105 8.3173 122.1706 56.2052 41.4427 173.9764 39 I 4.6432 8.2638 118.8479 59.3050 39.9290 174.7594 40 T 4.7140 8.0763 114.9639 60.9114 70.4543 172.8546 41 T 4.6092 8.2601 115.2767 60.4732 70.5606 174.3814 42 V 4.7451 7.8775 115.6725 60.2682 35.9979 174.4000 43 G 4.2585 8.6276 108.9638 45.8090 0.0000 171.7513 44 I 5.4160 7.9652 113.4312 59.2529 40.8751 174.0146 45 D 4.5844 8.5348 119.6497 52.6399 42.6032 174.5752 46 F 5.1318 7.7237 113.9243 55.2496 41.1118 174.0578 47 R 4.5879 9.1078 119.3283 54.7084 33.3320 174.6285 48 E 5.2114 8.4245 118.4090 54.8983 33.4689 176.3681 49 K 4.3140 8.3694 123.5864 55.6053 35.5640 174.5932 50 R 4.7616 8.6714 129.4227 55.9931 30.7319 175.6362 51 V 4.6162 9.1110 125.9981 61.3579 35.6104 173.9427 52 V 4.9188 8.4937 119.4045 59.9253 33.6664 174.4390 53 Y 4.7665 9.3590 126.6260 55.8930 41.5025 173.9272 54 D 5.0060 8.0697 126.3785 53.0542 42.4541 175.6738 55 T 3.9068 8.5621 118.2818 63.2178 68.4865 174.0712 *65 A 4.1888 7.6813 123.3789 51.9619 18.9096 175.1560 66 F 4.9156 9.3726 120.7284 56.3476 42.9485 174.8896 67 K 4.7296 8.8864 122.5430 55.5944 33.0499 176.1411 68 V 4.3994 9.3610 126.5940 61.2261 33.9377 173.7637 69 H 4.8692 8.9475 128.3598 55.4146 30.8355 173.8944 70 L 4.5687 8.5678 128.4576 53.4499 43.7855 174.7984 71 Q 4.7364 8.5443 125.7466 55.0331 30.1285 175.4569 72 L 4.9316 8.8102 123.3452 52.8230 44.7141 175.5998 73 W 5.3517 9.1182 123.2315 55.3129 31.8185 174.4915 74 D 5.0727 9.5051 121.9188 53.1873 45.0675 173.5297 75 T 5.3080 8.4856 110.2976 59.8982 72.4358 172.8536 76 A 4.5325 8.8204 122.5694 50.8866 23.2567 176.5843 77 G 3.5851 8.8375 108.6197 47.3626 0.0000 176.0679 78 L 4.2645 8.0070 120.7234 57.1195 42.4237 178.0880 79 E 4.2054 8.2185 118.5940 59.0963 29.4742 179.0217 80 R 3.9145 7.9839 117.8987 59.1634 30.2538 178.1245 81 F 4.1352 7.8867 118.9545 61.8375 39.3308 177.5497 82 R 3.5271 8.6873 117.7052 59.1832 29.7545 179.0377 83 S 4.1500 7.9577 112.7519 61.1442 62.3639 176.2057 84 L 3.9692 8.4162 122.1991 57.9643 41.2072 179.5102 85 T 3.8162 8.3800 116.7945 66.7512 68.3062 176.8270 86 T 3.9769 7.8648 117.4097 66.7503 68.3753 176.6741 87 A 4.0856 7.9603 120.7785 54.6745 18.3529 179.0150 88 F 4.1093 7.8889 118.5175 60.4881 39.5281 176.0148 89 F 4.5334 7.9059 115.4314 57.8344 40.0363 176.5993 90 R 3.9621 7.8756 120.4606 57.5384 30.3503 176.3472 91 D 4.3063 8.7098 122.1218 55.6130 38.3338 173.6874 92 A 4.7911 8.0198 120.4513 50.7128 21.0785 176.6924 93 M 4.4828 8.6004 119.2112 54.8941 33.7257 175.5667 94 G 4.2998 8.5650 108.1042 44.6617 0.0000 171.7736 95 F 5.3793 9.9623 125.4361 55.8099 40.4651 175.0955 96 L 4.2649 8.6288 125.2154 54.9839 41.0081 175.3281 97 L 4.6036 8.9000 126.5645 54.1525 41.3441 175.0367 98 M 4.8990 9.0722 125.4233 54.6370 33.8894 175.0010 99 F 4.8875 9.2773 116.1535 55.8416 42.6909 172.3411 100 D 5.1428 8.8521 118.8054 52.5249 42.3144 176.9886 101 L 4.4311 8.5956 127.1547 57.2064 41.8681 178.4593 102 T 4.9053 8.6599 107.8949 60.4726 68.8020 174.6853 103 S 4.5580 8.2361 117.5436 56.1538 64.2644 174.3158 104 Q 4.0233 9.8531 130.6194 59.1592 28.7780 177.8641 105 Q 4.0255 8.1150 120.2815 58.7483 28.9894 177.9670 106 S 4.6806 7.9655 117.8597 61.0011 62.9469 176.2716 107 F 3.7519 7.9094 122.9025 61.3212 39.1432 177.1741 108 L 3.9196 7.8808 118.0328 57.8026 41.4409 179.0827 109 N 4.3450 8.0672 116.3231 56.4185 38.2283 177.6475 110 V 3.5153 7.2114 118.5785 65.7355 31.7226 177.5917 111 R 3.7687 7.9085 118.7587 59.7145 29.8792 178.2777 112 N 4.3365 8.6356 116.3566 55.9672 38.0732 177.1327 113 W 4.2417 8.1453 129.3088 60.0695 30.3337 176.5598 114 M 4.8228 7.4531 116.9751 55.2248 32.4144 176.7259 115 S 4.6533 7.8351 114.4179 58.5575 64.2977 174.4235 116 Q 4.4634 6.9503 117.0909 54.4747 27.8410 176.0769 117 L 3.8690 7.5334 117.8478 55.3985 42.6667 179.1264 118 Q 4.1641 8.2032 125.8019 54.9476 27.1709 175.2471 119 A 4.6480 7.5327 122.4610 52.2467 20.9918 176.4907 120 N 4.9013 9.3493 120.7679 53.6481 38.9747 176.7169 121 A 4.5952 8.3364 131.2333 51.5603 20.5596 177.4858 122 Y 3.8909 8.7798 120.5126 61.1927 38.6125 178.3769 123 C 4.6710 8.3115 113.1003 57.9012 40.7239 173.7737 124 E 4.1443 8.1802 118.9673 56.7936 30.3100 175.9104 125 N 4.5397 7.8882 116.5539 51.6376 39.1329 173.1915 126 P 4.4550 0.0000 0.0000 62.5589 32.8240 175.1477 127 D 4.9231 9.1868 121.5241 52.9831 43.3045 175.9910 128 I 5.2841 8.4945 121.3268 58.4159 40.7351 175.1476 129 V 4.6140 8.3027 125.0674 59.6476 34.5942 174.3634 130 L 4.8684 8.8498 126.9339 55.0386 43.5435 175.3935 131 I 5.0711 9.3119 126.8467 59.5704 40.6045 174.4111 132 G 3.0504 8.7911 114.9319 44.3356 0.0000 172.5642 133 N 5.2907 8.6584 124.0470 51.4405 42.3083 173.9779 134 K 4.2347 8.7283 115.9081 56.6806 29.3337 177.6955 135 A 4.1541 8.0048 122.2363 54.4666 18.7423 178.9731 136 D 4.6899 8.1139 114.2329 53.9410 39.4876 175.9084 137 L 4.9284 7.4592 121.4079 52.6835 41.8421 175.2257 138 P 4.2795 0.0000 0.0000 65.5049 31.9100 178.7725 139 D 4.4831 8.1397 115.7056 56.4469 40.9579 176.8933 140 Q 4.4324 7.6744 116.1818 55.1111 29.6964 174.9715 141 R 4.2534 7.7913 117.9817 57.0658 30.1344 176.0820 142 E 4.2055 9.5862 124.5424 57.3085 30.2820 177.0583 143 V 4.3067 7.4430 117.7853 59.8351 32.8604 174.9294 144 N 4.3573 8.2881 125.6479 53.6229 39.8220 175.0596 145 E 3.8991 8.7030 123.5536 59.5704 29.9033 179.1846 146 R 3.8816 7.8891 117.5377 59.6035 30.2137 178.9915 147 Q 3.9917 7.8189 116.8960 58.7329 28.6041 178.3551 148 A 4.1195 7.2844 120.6250 55.0075 18.3559 179.6295 149 R 3.3103 8.0321 117.6467 59.4196 30.0028 178.2519 150 E 3.9452 8.4746 118.7393 59.8347 29.3345 179.5129 151 L 3.9243 7.9823 117.7017 57.5515 41.6243 179.4598 152 A 4.3140 7.9370 121.1430 55.2221 18.4464 179.3211 153 E 4.0376 8.3123 117.9137 59.4133 29.5929 179.0434 154 K 4.0665 8.8632 117.5887 58.4757 32.0540 177.1403 155 Y 4.5681 7.6122 113.2081 57.2318 39.4057 175.0361 156 G 4.4031 8.6980 112.9476 45.5871 0.0000 174.9149 157 I 3.8453 7.5553 111.3792 60.4057 37.9646 173.4448 158 P 4.8427 0.0000 0.0000 62.3335 33.0622 174.4378 159 Y 5.5024 7.9221 118.1478 55.5494 41.1715 175.5017 160 F 4.5978 9.2922 119.6791 55.8795 42.8575 173.8275 161 E 4.8428 9.1468 124.9201 56.3464 30.0096 176.3622 162 T 4.9227 9.6270 115.7358 59.9954 73.2488 173.1344 163 S 4.5707 8.3527 115.2320 57.0167 64.1450 174.1192 164 A 3.3509 9.0768 131.9047 54.9454 18.2856 178.2345 165 A 4.2890 7.9415 116.6076 53.8947 19.3411 178.0592 166 T 4.2254 7.4223 111.7406 65.9218 69.5547 176.1241 167 G 3.9455 8.8436 107.0214 44.7975 0.0000 173.6530 168 Q 3.8256 8.2179 121.7378 57.8849 29.4285 175.4111 169 N 4.3260 9.1964 119.1354 53.8851 37.1445 176.0062 170 V 3.2388 7.6996 118.8901 65.8028 31.2809 177.8235 171 E 4.1424 7.9505 117.6830 59.0917 29.5439 178.9349 172 K 3.9876 7.9328 117.5664 59.1096 32.0679 179.1641 173 S 3.1139 7.8308 116.2732 60.9982 62.8120 176.4701 174 V 3.4546 7.3586 120.1298 66.2240 31.2051 178.1913 175 E 4.0883 8.5092 118.5547 59.4874 29.1802 179.3909 176 T 3.8638 7.4238 114.4212 66.6213 68.4848 176.3285 177 L 3.9652 7.7574 120.6402 57.9953 41.4951 179.1900 178 L 3.8724 8.3129 120.3362 58.4739 41.7591 178.7172 179 D 4.3303 8.3424 117.9033 57.2680 41.0282 178.1251 180 L 4.0086 8.2456 119.0716 57.7881 41.9177 179.3161 181 I 4.0909 7.9915 114.6408 63.6057 37.5790 178.0963 182 M 4.0437 7.7325 120.3851 58.1811 31.7249 178.6501 183 K 4.2273 8.1515 115.8014 58.0773 32.0132 178.4044 184 R 4.3701 7.9239 119.5351 58.6592 30.3574 178.0109 185 M 3.9751 7.8696 118.2668 58.1175 31.7769 177.5855 186 E 3.9482 7.9111 118.5710 59.7119 29.8040 178.7018 187 K 4.3340 7.3369 113.9395 57.0157 32.0445 176.5839 188 C 4.5593 8.1434 123.2417 57.1990 42.2249 173.7716 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 11 K 8.17 4.35 0.00 1.64 1.76 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.45 7.81 12 L 8.35 5.10 0.00 1.50 1.48 0.83 0.50 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 13 L 9.39 4.66 0.00 1.45 1.27 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.67 4.32 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 0.00 0.00 15 L 9.07 4.52 0.00 1.38 1.13 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.71 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 0.00 0.00 0.00 0.00 17 D 8.44 4.42 0.00 2.75 2.62 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 18 S 8.35 4.33 0.00 3.80 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 19 G 8.52 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 20 V 7.81 4.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00 21 G 8.23 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 0.00 0.00 0.00 0.00 22 K 8.38 3.89 0.00 1.79 1.84 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 23 T 7.88 4.03 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 24 T 7.89 4.21 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 1.30 0.00 0.00 25 F 8.08 4.02 0.00 3.33 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.29 4.23 0.00 1.89 1.84 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.92 4.42 0.00 3.05 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 28 R 7.94 3.78 0.00 1.97 1.93 0.00 3.25 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 29 Y 7.48 4.16 0.00 2.79 2.89 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 30 T 8.00 3.88 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 1.43 0.00 0.00 31 D 7.33 3.79 0.00 2.54 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 7.46 5.04 0.00 2.98 2.90 0.00 0.00 6.62 6.59 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 33 K 8.69 4.31 0.00 1.83 1.93 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.48 7.81 34 F 7.83 4.54 0.00 2.96 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 35 N 7.79 4.64 0.00 2.61 2.56 0.00 0.00 7.27 7.69 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 36 P 0.00 3.92 0.00 1.91 1.60 0.00 3.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 37 K 7.76 4.29 0.00 1.49 1.47 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.40 7.81 38 F 8.32 4.71 0.00 3.03 2.91 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 39 I 8.26 4.64 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.92 0.00 0.00 40 T 8.08 4.71 4.31 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 1.32 0.00 0.00 41 T 8.26 4.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 42 V 7.88 4.75 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 0.77 0.00 0.00 0.86 0.00 0.00 43 G 8.63 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.97 5.42 2.23 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.03 1.00 0.00 0.00 45 D 8.53 4.58 0.00 2.50 2.67 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 0.00 0.00 0.00 46 F 7.72 5.13 0.00 2.15 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 47 R 9.11 4.59 0.00 1.68 1.83 0.00 3.17 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 48 E 8.42 5.21 0.00 1.84 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 2.35 2.47 0.00 49 K 8.37 4.31 0.00 1.81 1.63 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.45 7.81 50 R 8.67 4.76 0.00 1.93 1.87 0.00 3.26 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 51 V 9.11 4.62 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 1.00 0.00 0.00 0.97 0.00 0.00 52 V 8.49 4.92 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 0.77 0.00 0.00 0.96 0.00 0.00 53 Y 9.36 4.77 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.07 5.01 0.00 2.49 2.47 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 55 T 8.56 3.91 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 1.40 0.00 0.00 *65 A 7.68 4.19 1.20 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 66 F 9.37 4.92 0.00 3.12 2.99 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 67 K 8.89 4.73 0.00 1.70 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.47 7.81 68 V 9.36 4.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 69 H 8.95 4.87 0.00 3.18 3.23 0.00 5.93 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 70 L 8.57 4.57 0.00 1.83 1.65 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.54 4.74 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.45 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 72 L 8.81 4.93 0.00 1.57 1.60 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 73 W 9.12 5.35 0.00 3.12 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.51 5.07 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 5.31 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 76 A 8.82 4.53 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 94 G 8.56 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 0.00 0.00 0.00 0.00 95 F 9.96 5.38 0.00 3.01 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 96 L 8.63 4.26 0.00 1.54 1.40 0.79 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.90 4.60 0.00 1.87 1.76 0.66 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 98 M 9.07 4.90 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 99 F 9.28 4.89 0.00 3.09 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 0.00 100 D 8.85 5.14 0.00 2.87 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 0.00 101 L 8.60 4.43 0.00 1.87 1.78 0.98 0.66 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 0.00 102 T 8.66 4.91 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 1.24 0.00 0.00 103 S 8.24 4.56 0.00 3.88 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 0.00 104 Q 9.85 4.02 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 105 Q 8.12 4.03 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 106 S 7.97 4.68 0.00 4.42 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 0.00 107 F 7.91 3.75 0.00 2.76 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 0.00 108 L 7.88 3.92 0.00 1.78 1.71 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.07 4.35 0.00 3.07 2.91 0.00 0.00 6.67 7.57 0.00 0.00 0.00 0.00 0.00 0.00 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1.03 1.67 0.00 3.49 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 1.77 2.03 0.00 127 D 9.19 4.92 0.00 2.52 2.51 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 0.00 128 I 8.49 5.28 1.97 0.00 0.00 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 1.23 1.64 1.15 0.00 0.00 129 V 8.30 4.61 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 0.82 0.00 0.00 1.30 0.00 0.00 130 L 8.85 4.87 0.00 2.13 1.88 1.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 131 I 9.31 5.07 1.73 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 0.88 0.00 0.00 132 G 8.79 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 0.00 0.00 0.00 133 N 8.66 5.29 0.00 2.75 2.75 0.00 0.00 6.82 5.99 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 0.00 134 K 8.73 4.23 0.00 2.03 1.88 0.00 2.25 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 143 V 7.44 4.31 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 0.40 0.00 0.00 1.03 0.00 0.00 144 N 8.29 4.36 0.00 2.71 2.49 0.00 0.00 6.83 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 0.00 145 E 8.70 3.90 0.00 2.09 1.88 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 2.37 2.39 0.00 146 R 7.89 3.88 0.00 1.83 1.93 0.00 3.16 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 147 Q 7.82 3.99 0.00 1.73 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 148 A 7.28 4.12 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 0.00 149 R 8.03 3.31 0.00 1.66 2.04 0.00 3.40 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 1.69 1.91 0.00 150 E 8.47 3.95 0.00 2.24 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 0.00 2.57 2.52 0.00 151 L 7.98 3.92 0.00 1.84 1.83 0.45 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.94 4.31 1.70 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 0.00 0.00 153 E 8.31 4.04 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 154 K 8.86 4.07 0.00 1.78 1.61 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.59 7.81 155 Y 7.61 4.57 0.00 3.02 2.96 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 0.00 156 G 8.70 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 0.00 0.00 0.00 0.00 157 I 7.56 3.85 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.79 1.05 0.00 0.00 158 P 0.00 4.84 0.00 2.26 2.00 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 159 Y 7.92 5.50 0.00 3.06 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 0.00 160 F 9.29 4.60 0.00 3.09 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 0.00 161 E 9.15 4.84 0.00 1.97 1.99 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 2.49 2.56 0.00 162 T 9.63 4.92 4.54 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 1.48 0.00 0.00 163 S 8.35 4.57 0.00 3.89 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 0.00 164 A 9.08 3.35 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 0.00 165 A 7.94 4.29 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 0.00 166 T 7.42 4.23 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 1.21 0.00 0.00 167 G 8.84 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 0.00 168 Q 8.22 3.83 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.01 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 169 N 9.20 4.33 0.00 3.05 3.11 0.00 0.00 6.76 7.68 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 0.00 170 V 7.70 3.24 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 0.30 0.00 0.00 0.62 0.00 0.00 171 E 7.95 4.14 0.00 2.04 1.99 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 2.44 2.34 0.00 172 K 7.93 3.99 0.00 1.84 1.98 0.00 1.72 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.57 7.81 173 S 7.83 3.11 0.00 4.07 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 0.00 174 V 7.36 3.45 1.86 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 0.34 0.00 0.00 0.70 0.00 0.00 175 E 8.51 4.09 0.00 2.00 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 2.49 2.59 0.00 176 T 7.42 3.86 4.31 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 1.34 0.00 0.00 177 L 7.76 3.97 0.00 1.81 1.68 0.88 0.42 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 0.00 178 L 8.31 3.87 0.00 1.85 1.80 0.97 1.22 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 0.00 179 D 8.34 4.33 0.00 2.99 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 0.00 180 L 8.25 4.01 0.00 1.83 1.72 0.96 1.12 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 I 7.99 4.09 1.84 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 1.75 1.22 0.95 0.00 0.00 182 M 7.73 4.04 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.98 0.00 183 K 8.15 4.23 0.00 1.94 1.90 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.46 7.81 184 R 7.92 4.37 0.00 2.04 2.09 0.00 3.07 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 185 M 7.87 3.98 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.60 0.00 186 E 7.91 3.95 0.00 1.99 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 0.00 2.34 2.39 0.00 187 K 7.34 4.33 0.00 1.62 1.67 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.66 7.81 188 C 8.14 4.56 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.