NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4502 8.3044 118.8185 54.8960 32.8269 178.1348 2 D 4.6055 8.0225 110.8928 54.4658 39.3887 174.5735 3 F 5.0335 8.8550 120.8466 57.1048 41.1326 175.1535 4 R 4.9262 9.2730 119.9579 54.5611 34.5041 174.2374 5 I 4.9504 8.4725 115.2459 59.2896 40.8671 174.4473 6 G 4.3804 9.0611 110.3299 44.6698 0.0000 171.3235 7 Q 5.1425 8.5918 117.4318 54.4158 31.8547 174.3586 8 G 4.4069 9.2562 107.6348 44.9350 0.0000 170.6729 9 Y 5.3991 8.5329 121.6096 55.9094 42.0268 173.6124 10 D 4.6531 8.5515 124.5030 52.9744 45.4569 174.0296 11 V 4.7269 7.7173 120.8799 60.7561 34.4886 173.4160 12 H 4.9785 8.8557 118.6953 53.9540 33.4578 172.9195 13 Q 4.6353 8.6488 119.5998 56.0681 30.1295 175.0011 14 L 4.9909 8.5510 123.4352 54.0301 42.7695 176.6778 15 V 4.7299 9.0604 116.8756 58.6542 36.2604 173.4813 16 P 4.4518 0.0000 0.0000 63.4903 32.2577 176.2727 17 G 3.8776 9.3311 110.6930 46.4800 0.0000 174.0420 18 R 4.6965 7.5133 116.6647 53.0129 33.2953 176.2097 19 P 4.6539 0.0000 0.0000 62.0954 32.6552 175.6195 20 L 4.4369 8.5025 124.0912 54.2873 43.0447 175.1509 21 I 5.0373 8.2941 127.3394 59.6143 40.5543 174.9448 22 I 4.7924 8.3314 127.8846 60.4204 40.0298 175.9890 23 G 3.9386 9.9824 113.5914 46.6257 0.0000 175.1450 24 G 3.8786 9.0294 107.3167 45.0107 0.0000 174.4122 25 V 4.0772 7.4487 120.7450 61.5017 32.4654 174.6441 26 T 4.6853 8.4262 124.4557 63.3550 69.0438 173.9334 27 I 4.3805 8.5141 128.2354 58.4433 39.4005 174.0830 28 P 4.3916 0.0000 0.0000 63.1941 30.8683 175.2752 29 Y 4.6462 8.2867 124.4199 57.6577 41.2863 175.0067 30 E 3.9665 7.7331 120.6201 57.8688 30.0987 177.1524 31 R 4.9242 6.8442 114.6385 55.1718 34.8408 174.0431 32 G 4.6070 9.0087 106.7078 43.9846 0.0000 171.4082 33 L 5.0130 8.4058 119.4383 53.9059 42.7659 176.5352 34 L 4.4489 8.5150 126.0098 54.0801 43.0144 175.9057 35 G 4.0168 8.3764 115.5486 45.9556 0.0000 173.8240 *36 H 4.3214 9.0846 116.2610 57.5378 28.3795 175.9771 37 S 4.5686 7.6622 115.5449 57.8181 63.9384 173.7393 38 D 4.4098 8.7465 119.7711 53.7985 39.4533 175.7513 39 A 3.3798 7.9234 121.5848 53.4509 16.5716 178.6184 40 D 4.6738 7.9972 121.4187 54.8368 40.5565 175.8543 41 V 3.9699 7.9793 129.0398 63.8777 31.4718 177.9682 42 L 3.8968 7.7982 120.3706 58.0192 42.0347 178.8273 43 L 4.0215 8.0045 118.6425 57.9454 41.4306 179.2035 44 H 4.2678 8.4722 116.2620 58.8647 28.6380 177.6393 45 A 4.0133 8.1209 122.4759 55.2827 18.1243 179.7910 46 I 3.6406 7.8163 118.2850 64.6623 37.0685 178.6049 47 T 3.6683 8.1893 116.9623 66.9392 68.2832 176.3017 48 D 4.5089 8.4106 120.4208 57.3347 40.7468 178.7066 49 A 4.1506 8.2399 121.4023 55.0728 18.4736 179.7776 50 L 3.8072 8.1126 117.6845 58.0015 41.7039 179.6221 51 F 4.4765 8.1383 118.1618 60.5986 38.8115 178.0091 52 G 3.6111 8.6287 105.4800 47.8298 0.0000 175.6536 53 A 4.2446 8.2947 123.5518 53.8403 18.4533 178.6336 54 A 3.0186 7.5290 115.8223 50.7222 19.3442 176.8133 55 A 3.6806 7.5509 119.4597 53.6607 16.6254 178.0272 56 L 4.6405 8.6161 117.0976 55.4534 43.2917 177.4259 57 G 3.9624 9.1985 107.6113 44.2446 0.0000 175.0438 58 D 4.7850 7.9821 125.6573 50.5135 42.3225 175.6548 59 I 3.8203 9.1719 119.0200 64.2308 37.5199 177.9799 60 G 3.5448 8.0017 105.2140 47.4029 0.0000 175.2282 61 R 3.9082 7.9116 120.3270 59.0227 30.0716 177.5095 62 H 4.1063 7.1389 114.0020 55.8115 29.4055 175.3768 63 F 5.0196 7.1408 116.9557 55.6914 42.3750 175.2720 *70 F 4.8221 8.5060 122.3417 57.4506 40.7416 177.8445 71 K 3.8927 8.3241 122.2395 57.6249 31.2784 183.8058 72 G 4.1293 7.8554 105.3052 44.8459 0.0000 173.4057 73 A 4.1403 8.1342 123.5987 51.5064 19.0052 178.9456 74 D 4.7293 8.3184 121.9152 52.6011 42.3629 177.9223 75 S 4.2262 8.9597 115.5640 61.1112 62.5884 177.2293 76 R 3.9302 8.0423 120.8152 58.8688 29.9412 178.4070 77 A 3.9921 8.5448 120.9188 55.1374 18.3415 179.7197 78 L 3.3124 7.5897 117.2636 57.4753 41.5367 179.4524 79 L 3.9145 8.0139 120.3901 58.2366 42.0375 179.2494 80 R 3.9069 8.3092 118.4179 59.2232 29.9209 178.7174 81 E 4.0471 8.4069 119.2116 59.2259 29.5825 178.1578 82 C 3.8753 8.6795 119.0651 62.6247 31.4915 175.3657 83 A 3.9256 8.0580 122.1700 55.2654 17.8095 179.5321 84 S 4.0654 8.0174 111.4165 61.7986 62.6152 176.7469 85 R 4.0758 8.3555 120.8780 59.0608 29.8873 179.2222 86 V 3.6922 8.2596 118.3893 65.9951 31.5033 177.9865 87 A 4.3771 8.2315 121.9624 54.7840 18.0173 179.3114 88 Q 3.9285 8.4027 117.2542 59.1435 29.1985 177.7609 89 A 4.3781 7.9109 119.2029 52.6098 19.0569 177.9219 90 G 3.7682 8.3259 106.7764 44.7441 0.0000 172.8097 91 F 5.3233 8.1628 117.4993 55.4293 41.8483 174.5154 92 A 4.8691 9.0562 124.0030 50.2237 21.7136 175.7671 93 I 4.2710 8.3657 122.3856 61.4019 37.6253 175.8489 94 R 4.5638 9.0466 126.7357 57.9631 31.3141 176.2624 95 N 5.0259 7.6646 113.3703 52.0582 40.7485 173.3387 96 V 4.8888 8.6943 119.2929 61.2607 35.1087 173.7742 97 D 5.4876 9.2715 126.1056 51.7889 45.0628 174.0827 98 S 5.0799 8.1571 115.3261 57.9808 66.5273 173.2010 99 T 4.9264 8.9615 116.9910 62.0250 72.6249 172.9704 100 I 4.6816 8.9706 127.1017 59.8510 39.6536 174.6836 101 I 4.8492 8.8848 128.3427 59.7545 38.5182 174.7008 102 A 4.7662 8.8177 129.1969 50.3774 22.0558 176.7623 103 Q 3.8461 8.9962 123.8646 58.7640 29.5287 175.8089 104 A 4.5136 7.2758 117.1935 50.0234 21.9976 173.5210 105 P 4.4801 0.0000 0.0000 61.2760 32.6904 176.1084 106 K 3.9671 8.4230 117.9292 57.0600 32.1074 177.1984 107 L 4.4222 8.4715 122.7838 55.5022 42.7210 178.4206 108 A 3.9608 8.2669 121.0158 55.0787 17.9240 177.6796 109 P 4.2979 0.0000 0.0000 64.7385 31.7196 177.3645 110 H 4.8005 8.1874 114.2348 56.1508 29.6711 176.8647 111 I 3.7139 7.3404 121.3305 64.5270 36.9610 177.9982 112 D 4.3431 8.0891 118.9927 57.1917 40.6611 178.5405 113 A 4.0367 7.9382 121.0035 55.2046 18.3805 179.4209 114 M 4.2496 7.9592 118.6032 58.1101 31.9816 179.0372 115 R 3.8822 8.1455 117.9757 59.2841 30.2606 178.9324 116 A 3.9764 8.0465 120.3192 55.1840 18.3313 179.3346 117 N 4.2575 8.2482 114.9039 56.6295 38.6833 177.7067 118 I 3.6554 7.9529 120.8931 64.2929 37.1185 178.2464 119 A 3.9815 8.3032 121.6773 55.2095 18.1895 179.6015 120 A 3.9192 8.1425 119.1332 55.5151 18.2739 179.6994 121 D 4.3748 8.1890 116.3239 56.6818 40.9541 177.9489 122 L 4.3702 7.8597 116.7363 53.1959 42.9318 175.6162 123 D 4.3684 7.6450 117.4326 55.6645 40.0349 172.9505 124 L 4.8840 7.9213 117.1202 51.8956 45.4569 175.6672 125 P 4.4991 0.0000 0.0000 62.3410 32.4280 177.2769 126 L 3.9671 8.6167 120.0056 58.1484 41.6331 178.6142 127 D 4.6517 8.0397 114.6809 53.9793 39.5977 176.4062 128 R 4.6381 8.1425 117.8798 56.0562 31.7928 175.1392 129 V 4.8432 7.8094 119.0583 61.0975 34.0074 174.3645 130 N 5.1303 9.1365 125.1757 51.9444 42.8858 173.0273 131 V 4.7191 8.2326 123.1877 60.1095 34.6515 174.3964 132 K 4.8752 9.0511 125.9194 54.6047 36.0091 174.8021 133 A 5.2192 8.3324 121.7642 50.6049 22.5124 175.6379 134 K 4.7228 8.9928 118.5087 55.1054 37.1629 176.6105 135 T 4.8469 8.3700 113.7661 60.1268 70.9874 173.7197 136 N 4.7590 8.6813 116.4182 52.7808 39.1631 174.0262 137 E 3.8003 8.5587 113.2375 57.5016 27.5714 175.0295 138 K 4.0467 8.1605 111.9284 57.2035 30.9900 175.4042 139 L 4.3874 7.8690 119.0806 54.2411 43.2450 178.5698 140 G 4.0063 8.4796 111.8898 45.1867 0.0000 173.1595 141 Y 4.3325 8.1128 115.8248 60.2084 37.8029 178.1341 142 L 4.0900 7.0950 120.4405 57.6438 41.5677 179.5909 143 G 3.6553 7.8692 104.3932 47.2069 0.0000 175.0523 144 R 4.4175 7.9089 117.8763 55.4845 30.3139 176.7232 145 G 3.9900 7.8314 106.7579 46.7204 0.0000 175.0961 146 E 4.2339 8.6719 121.7152 57.9837 29.8982 176.2912 147 G 4.5926 7.6129 103.6017 45.5357 0.0000 172.2853 148 I 4.9361 8.6176 119.6704 59.3877 41.0974 174.7673 149 E 5.0545 8.9196 126.7642 54.5041 32.4285 174.3647 150 A 5.2418 8.8117 125.7011 50.2976 23.0039 174.9885 151 Q 5.1883 9.1570 118.8344 54.2141 32.7163 174.6351 152 A 5.2396 9.2020 122.9437 50.4178 23.3536 174.8347 153 A 5.1795 9.3807 121.0092 50.1027 22.7032 175.1975 154 A 5.0776 9.0328 122.3255 49.9835 23.0634 174.6238 155 L 5.1441 8.8457 122.9266 53.4133 45.0026 175.7862 156 V 5.2030 8.9220 118.3301 59.5258 36.5944 174.6182 157 V 4.7349 8.9152 120.7975 59.9942 34.6288 174.7809 158 R 4.3242 9.0086 125.5677 55.5775 30.3749 176.1100 159 E 4.1382 8.2352 125.2620 56.4826 29.6121 176.1218 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 M 8.30 4.45 0.00 2.05 1.70 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 8.02 4.61 0.00 2.83 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 3 F 8.85 5.03 0.00 3.03 2.98 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 4 R 9.27 4.93 0.00 1.62 1.75 0.00 3.31 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 5 I 8.47 4.95 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 1.29 0.94 0.92 0.00 0.00 6 G 9.06 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 0.00 0.00 0.00 0.00 7 Q 8.59 5.14 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 8 G 9.26 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 5.40 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.55 4.65 0.00 2.73 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 4.73 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 0.73 0.00 0.00 1.07 0.00 0.00 12 H 8.86 4.98 0.00 3.08 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.65 4.64 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 14 L 8.55 4.99 0.00 1.59 1.71 1.11 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.06 4.73 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 16 P 0.00 4.45 0.00 2.05 2.02 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 17 G 9.33 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.51 4.70 0.00 1.68 1.72 0.00 3.26 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 19 P 0.00 4.65 0.00 2.07 2.08 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 20 L 8.50 4.44 0.00 2.11 1.84 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.29 5.04 1.83 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 1.32 0.95 0.88 0.00 0.00 22 I 8.33 4.79 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.00 0.87 0.00 0.00 23 G 9.98 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 0.00 0.00 0.00 24 G 9.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.45 4.08 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 0.95 0.00 0.00 0.99 0.00 0.00 26 T 8.43 4.69 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 1.21 0.00 0.00 27 I 8.51 4.38 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.63 0.77 0.00 0.00 28 P 0.00 4.39 0.00 1.99 2.04 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 29 Y 8.29 4.65 0.00 2.90 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 30 E 7.73 3.97 0.00 2.03 1.85 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 2.23 1.90 0.00 31 R 6.84 4.92 0.00 1.87 2.03 0.00 3.10 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.42 0.00 32 G 9.01 4.61 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 0.00 0.00 0.00 33 L 8.41 5.01 0.00 1.56 1.57 0.91 1.01 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 34 L 8.51 4.45 0.00 1.64 1.59 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.38 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 0.00 0.00 0.00 *36 H 9.08 4.32 0.00 2.94 3.00 0.00 7.21 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.66 4.57 0.00 3.99 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 38 D 8.75 4.41 0.00 2.76 2.80 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 39 A 7.92 3.38 1.25 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 0.00 0.00 0.00 40 D 8.00 4.67 0.00 2.78 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.98 3.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.91 0.00 0.00 42 L 7.80 3.90 0.00 1.74 1.81 0.90 0.65 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 43 L 8.00 4.02 0.00 1.73 1.69 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.47 4.27 0.00 3.44 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.12 4.01 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 46 I 7.82 3.64 1.97 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 1.51 0.77 0.87 0.00 0.00 47 T 8.19 3.67 4.48 0.00 0.00 0.00 0.00 0.00 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 48 D 8.41 4.51 0.00 2.99 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 49 A 8.24 4.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.81 0.00 1.54 1.51 0.81 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.14 4.48 0.00 3.03 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 52 G 8.63 3.61 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 0.00 0.00 0.00 53 A 8.29 4.24 1.25 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 0.00 0.00 0.00 54 A 7.53 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.55 3.68 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 56 L 8.62 4.64 0.00 1.79 1.75 1.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.20 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 58 D 7.98 4.79 0.00 3.05 2.75 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 59 I 9.17 3.82 2.18 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.01 0.97 0.00 0.00 60 G 8.00 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 61 R 7.91 3.91 0.00 1.67 2.03 0.00 3.08 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.37 0.00 62 H 7.14 4.11 0.00 1.96 1.85 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.14 5.02 0.00 2.90 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 F 8.51 4.82 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.32 3.89 0.00 1.77 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.05 7.81 72 G 7.86 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 73 A 8.13 4.14 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 74 D 8.32 4.73 0.00 3.14 2.80 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 75 S 8.96 4.23 0.00 3.86 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 76 R 8.04 3.93 0.00 1.96 2.03 0.00 3.11 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 77 A 8.54 3.99 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 78 L 7.59 3.31 0.00 1.62 1.19 0.69 -0.14 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 79 L 8.01 3.91 0.00 1.80 1.78 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.31 3.91 0.00 2.03 1.98 0.00 3.18 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 81 E 8.41 4.05 0.00 2.28 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 0.00 2.68 2.79 0.00 82 C 8.68 3.88 0.00 2.76 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 83 A 8.06 3.93 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 84 S 8.02 4.07 0.00 3.99 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 85 R 8.36 4.08 0.00 2.23 2.15 0.00 3.38 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 86 V 8.26 3.69 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 1.08 0.00 0.00 0.90 0.00 0.00 87 A 8.23 4.38 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.40 3.93 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 89 A 7.91 4.38 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.33 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 0.00 0.00 0.00 91 F 8.16 5.32 0.00 3.18 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 9.06 4.87 1.22 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 0.00 0.00 93 I 8.37 4.27 1.89 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 1.34 0.61 0.92 0.00 0.00 94 R 9.05 4.56 0.00 1.92 2.08 0.00 3.49 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.05 0.00 95 N 7.66 5.03 0.00 2.86 2.88 0.00 0.00 5.59 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 96 V 8.69 4.89 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 0.92 0.00 0.00 0.91 0.00 0.00 97 D 9.27 5.49 0.00 2.77 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 5.08 0.00 3.99 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 99 T 8.96 4.93 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 0.00 100 I 8.97 4.68 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 1.20 0.75 0.92 0.00 0.00 101 I 8.88 4.85 1.87 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 1.16 0.68 0.97 0.00 0.00 102 A 8.82 4.77 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 9.00 3.85 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 104 A 7.28 4.51 1.23 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 0.00 0.00 0.00 105 P 0.00 4.48 0.00 2.11 1.91 0.00 3.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 106 K 8.42 3.97 0.00 1.76 1.80 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.41 7.81 107 L 8.47 4.42 0.00 1.68 1.69 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.27 3.96 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 0.00 109 P 0.00 4.30 0.00 1.67 2.00 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.09 0.00 110 H 8.19 4.80 0.00 3.25 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.34 3.71 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 1.51 0.79 0.94 0.00 0.00 112 D 8.09 4.34 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.94 4.04 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 0.00 114 M 7.96 4.25 0.00 2.08 2.26 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 2.88 2.58 0.00 115 R 8.15 3.88 0.00 2.02 1.98 0.00 3.36 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 116 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 0.00 117 N 8.25 4.26 0.00 2.99 2.87 0.00 0.00 7.07 6.97 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 0.00 118 I 7.95 3.66 1.98 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 1.44 0.87 0.89 0.00 0.00 119 A 8.30 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 3.92 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 0.00 121 D 8.19 4.37 0.00 2.77 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 0.00 122 L 7.86 4.37 0.00 1.68 1.68 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.64 4.37 0.00 2.74 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 0.00 124 L 7.92 4.88 0.00 1.62 1.52 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.50 0.00 2.40 2.18 0.00 3.72 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 2.08 1.99 0.00 126 L 8.62 3.97 0.00 1.73 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.04 4.65 0.00 2.78 2.77 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 0.00 128 R 8.14 4.64 0.00 1.92 2.07 0.00 3.08 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 129 V 7.81 4.84 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 0.78 0.00 0.00 0.93 0.00 0.00 130 N 9.14 5.13 0.00 2.83 2.74 0.00 0.00 6.23 7.09 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 0.00 131 V 8.23 4.72 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 1.19 0.00 0.00 0.92 0.00 0.00 132 K 9.05 4.88 0.00 1.79 1.64 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.47 7.81 133 A 8.33 5.22 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 0.00 134 K 8.99 4.72 0.00 1.61 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.52 7.81 135 T 8.37 4.85 4.39 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 1.19 0.00 0.00 136 N 8.68 4.76 0.00 2.74 2.70 0.00 0.00 7.01 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 0.00 137 E 8.56 3.80 0.00 2.13 1.96 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 2.24 2.39 0.00 138 K 8.16 4.05 0.00 1.89 1.86 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.53 7.81 139 L 7.87 4.39 0.00 1.78 1.51 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.48 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 0.00 0.00 0.00 141 Y 8.11 4.33 0.00 3.32 3.31 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 0.00 142 L 7.10 4.09 0.00 1.51 1.69 0.87 1.07 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 0.00 143 G 7.87 3.66 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 0.00 0.00 0.00 144 R 7.91 4.42 0.00 1.87 2.02 0.00 3.30 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 145 G 7.83 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 0.00 0.00 0.00 146 E 8.67 4.23 0.00 2.34 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 2.36 2.32 0.00 147 G 7.61 4.59 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 0.00 148 I 8.62 4.94 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.27 0.93 0.00 0.00 149 E 8.92 5.05 0.00 2.10 1.79 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 2.20 2.20 0.00 150 A 8.81 5.24 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.16 5.19 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 152 A 9.20 5.24 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 9.38 5.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 9.03 5.08 1.17 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 0.00 155 L 8.85 5.14 0.00 1.77 1.68 1.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.92 5.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.82 0.00 0.00 157 V 8.92 4.73 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.25 0.00 0.00 158 R 9.01 4.32 0.00 1.51 1.93 0.00 2.76 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 0.00 159 E 8.24 4.14 0.00 1.94 1.76 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 2.20 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.