NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3642 8.0333 110.9567 61.6302 69.9283 171.3633 3 L 4.4989 8.2276 121.7635 52.5935 42.9086 174.1715 4 H 4.1229 8.9441 125.6404 56.6051 30.7040 175.8756 5 K 3.8586 8.8556 129.8326 57.7863 31.3353 174.3531 6 E 4.3671 8.2153 114.6732 57.0005 30.5860 176.5780 7 R 4.9389 8.2022 117.3145 55.4395 29.7535 176.7822 8 R 4.3164 7.7990 118.0791 56.1852 31.3236 176.5021 9 I 3.1792 8.3585 125.1412 63.8893 37.9644 177.7549 10 G 3.5259 7.8492 106.2593 47.8473 0.0000 175.8352 11 R 3.9675 7.7774 118.9811 58.4027 29.5687 178.7696 12 L 3.8777 7.8161 120.0951 57.6092 41.1114 179.5701 13 S 4.0329 7.7010 113.7930 61.2259 62.9178 176.7241 14 V 3.6868 7.8943 121.9344 65.7196 31.1081 178.0835 15 L 3.9975 8.1442 118.3391 57.5890 41.4927 178.9616 16 L 4.0404 7.8288 119.5008 57.3698 42.0190 178.1381 17 L 4.2530 7.1911 118.4729 56.9761 42.3313 176.9731 18 L 4.3043 7.5558 116.1999 54.7494 41.5452 177.1534 19 N 4.8175 7.4258 116.8660 52.5358 38.7659 174.4513 20 E 3.5123 8.5499 120.5848 58.8481 30.1935 176.9553 *26 Q 4.4126 7.7519 113.9607 55.0731 30.7270 179.5685 27 V 3.6576 7.7873 117.6671 65.8008 31.5675 177.7098 28 E 4.0383 8.3008 120.1485 60.1843 29.3994 179.6545 29 E 4.0612 8.1784 117.6823 61.3029 29.9729 180.8324 30 L 4.5374 8.0529 119.6260 57.1666 41.4328 178.9712 31 E 4.6676 8.0978 121.3132 58.0519 29.7303 179.4194 32 R 4.0704 8.2348 120.7967 60.7218 30.0323 181.6117 33 D 4.6810 7.3531 118.7706 53.7337 41.7529 178.1639 34 G 3.8106 8.1232 112.1417 45.0494 0.0000 172.1650 35 W 5.1103 8.4159 120.9210 55.0058 32.8330 175.7082 36 K 4.8702 9.1265 126.6477 55.5768 32.7656 175.7759 37 V 5.1858 8.4473 126.3155 60.2801 34.6595 174.3717 38 C 4.9320 8.7655 120.9752 58.1137 35.4008 172.5898 39 L 5.0555 8.2094 122.6915 53.4289 45.6120 175.4765 40 G 3.4680 7.3701 107.6321 45.5339 0.0000 171.9924 41 K 5.2470 8.2457 118.3839 54.5040 36.0681 177.0034 42 V 4.4555 9.0850 123.9087 60.4213 34.7545 173.7511 43 G 4.5037 8.4353 112.4693 44.6158 0.0000 172.2106 44 S 4.7296 8.7287 115.8663 57.6892 66.5807 175.5338 45 M 4.4408 8.4330 120.6725 54.8773 31.6911 174.7851 46 D 5.0834 8.2378 120.3310 52.2905 43.9728 177.0095 47 A 4.0965 8.5801 125.7641 55.1567 18.5560 179.2846 48 H 4.2992 8.1321 113.0953 58.2554 28.7302 177.5433 49 K 4.0483 7.4162 119.9345 58.4802 32.0761 179.4273 50 V 3.4447 7.4321 118.4341 66.0127 31.5318 177.9593 51 I 3.5381 7.5240 119.0755 64.3186 36.9124 178.3751 52 A 3.9688 7.8843 120.9200 55.0453 18.0877 179.5728 53 A 4.0288 7.9837 119.3323 55.0305 18.3949 179.9568 54 I 3.1930 7.1896 118.1415 63.9303 37.1199 178.0867 55 E 3.9049 8.3376 120.5094 59.6069 29.4503 179.0431 56 T 3.8516 7.9048 115.4859 66.6801 68.5961 176.5877 57 A 4.0003 7.8906 122.4101 55.3736 18.2715 179.9080 58 S 4.2157 8.3729 113.7207 61.4000 62.6620 177.1172 59 K 4.1079 8.2170 123.3143 59.9589 31.9730 179.9032 60 K 4.1953 8.6468 123.6293 60.6845 32.0577 179.1154 61 S 4.7942 7.9785 113.6271 57.2346 65.1646 173.8093 62 G 3.7381 8.5600 107.6049 47.3801 0.0000 174.7988 63 V 3.6026 7.5177 119.6456 64.8157 31.8642 175.4983 64 I 4.7342 7.3987 113.1891 58.3017 40.3092 175.4643 65 Q 4.1165 9.1331 121.3694 56.2354 28.8509 177.7212 66 S 4.2419 8.8721 119.2708 60.6647 63.6284 174.4601 67 E 4.6157 8.0261 115.7015 54.7020 32.5869 180.9727 68 G 4.1193 8.6791 104.2406 47.0797 0.0000 173.1405 69 Y 4.6806 8.2141 117.2664 58.7953 39.8730 176.9705 70 R 3.6859 8.0135 119.3236 59.9614 30.1656 178.1073 71 E 4.0434 8.0217 117.0933 58.9735 29.6715 178.8422 72 S 4.3396 7.7872 113.4800 60.4666 62.7750 175.4854 73 H 4.2175 7.7235 121.0574 58.3550 29.9324 176.8101 74 A 3.9044 7.7502 122.1452 54.9814 18.2147 179.1857 75 L 3.9697 7.8647 118.5449 58.0795 42.1271 178.5692 76 Y 3.8773 7.7255 119.3136 61.0015 38.6810 177.6856 77 H 4.1570 8.5646 117.1431 58.5942 28.7955 177.6254 78 A 3.9985 8.0549 122.7050 55.4781 18.1335 179.8675 79 T 3.7042 7.9488 114.2075 66.9669 67.9759 176.7313 80 M 3.8604 7.7971 120.5560 58.6113 31.6072 178.7863 81 E 4.1464 8.5376 118.4239 59.0496 29.5816 179.2673 82 A 4.0518 7.9477 121.2648 55.0527 18.4052 179.6684 83 L 3.9682 8.2877 117.6775 57.8457 41.5407 179.3611 84 H 4.2676 7.9786 115.8434 58.7821 28.3677 177.9717 85 G 3.7394 7.3929 105.0173 47.1754 0.0000 175.7155 86 V 4.1537 7.8980 120.9376 64.8896 31.7197 177.5191 87 T 4.1833 8.1646 108.7363 62.6474 70.7244 174.6140 88 R 3.7285 8.7931 121.1186 53.6514 26.7216 174.4623 89 G 4.1063 7.7101 110.6716 44.6490 0.0000 171.0614 90 E 4.5527 7.7644 119.7946 53.8091 32.1573 177.4161 91 M 4.3904 8.4191 126.9744 54.6152 30.8103 175.3009 92 L 4.8583 7.2916 118.6059 52.9117 46.1906 174.9159 93 L 4.5268 7.8766 118.0448 55.6110 45.2101 178.8564 94 G 3.6118 7.9325 111.5677 48.8962 0.0000 175.5077 95 S 4.3621 8.0096 112.4661 59.6826 63.4353 174.5201 96 L 4.5689 7.5333 120.2160 53.9029 42.4556 175.9620 97 L 3.6160 7.5803 117.3495 55.5823 40.5752 173.1394 98 R 4.9650 8.1099 113.0481 55.5578 33.4981 175.0899 99 T 4.8454 9.0205 113.3344 60.7927 71.5635 172.5990 100 V 5.3077 8.3600 118.2943 58.7337 35.3227 175.1680 101 G 4.4922 7.9633 112.0271 44.3019 0.0000 171.4089 102 L 4.8474 8.7768 124.9399 53.8539 44.6098 175.4204 103 R 5.1597 9.3819 122.5050 54.4856 33.1695 174.3805 104 F 5.6428 8.7192 120.0285 54.9981 41.8480 173.4577 105 A 5.1944 8.8157 121.3616 50.2055 22.6415 175.2345 106 V 4.7489 8.8811 121.8508 61.3156 34.1057 174.1682 107 L 5.1109 8.4678 128.3183 53.2806 44.1686 175.9402 108 R 5.2906 9.9247 122.3986 53.6776 33.9486 175.3990 109 G 4.1222 7.9704 112.5374 45.3615 0.0000 169.9124 110 N 5.2796 7.9136 119.1624 51.6812 39.4079 172.9090 111 P 4.9348 0.0000 0.0000 62.3732 31.9637 175.0483 112 Y 5.5903 8.0955 119.1836 56.3088 39.6045 176.0725 113 E 4.1286 8.5260 116.8886 59.0927 30.1491 175.9712 114 S 4.5045 7.7343 114.0842 58.1224 64.0481 173.9590 115 E 4.4115 8.5382 119.2564 56.5215 29.6537 177.0838 116 A 4.2269 7.7940 121.5790 53.6836 18.9953 178.4895 117 E 3.9714 8.2327 116.4007 56.9152 30.0112 177.6187 118 G 3.9734 8.1508 106.3783 44.2285 0.0000 171.9554 119 D 4.8508 8.4286 117.9091 54.2730 42.0829 176.1350 120 W 4.9095 9.9747 122.4284 54.9022 33.3574 174.2082 121 I 5.1758 9.5093 121.5342 59.2949 41.2835 174.2247 122 A 5.0822 8.8829 129.4516 50.2469 21.8274 175.3337 123 V 4.2574 8.6849 123.6456 62.8706 32.7923 175.0044 124 S 5.2359 8.9125 124.6119 56.7259 66.0270 173.4554 125 L 5.2109 8.6723 122.9035 53.2254 45.6334 174.9803 126 Y 5.1571 8.9833 123.4862 55.0979 42.4917 174.7643 127 G 4.0248 7.0616 112.7869 46.1453 0.0000 171.8207 128 T 5.0070 7.5126 112.8568 59.8170 72.7666 173.1784 129 I 5.3832 7.7414 121.9401 58.5529 41.8020 174.7289 130 G 4.4722 8.3847 112.9215 46.4363 0.0000 172.1820 131 A 4.4597 8.8383 122.3269 51.5983 18.8682 176.0022 132 P 4.2216 0.0000 0.0000 65.6775 31.3344 176.8538 133 I 3.7295 7.7897 121.3587 61.6004 36.6124 175.8581 134 K 4.2690 8.3366 128.1723 54.4033 32.2635 172.8462 135 G 3.8897 8.9851 115.0715 45.2957 0.0000 174.4586 136 L 4.3502 7.5962 120.9052 52.8315 40.0649 175.0033 137 E 4.9864 7.7846 117.2970 55.2182 32.2427 175.0168 138 H 5.1076 7.8951 116.3930 53.3604 32.1074 173.0465 139 E 4.6393 8.7876 118.2560 57.0968 30.3425 176.3700 140 T 4.8777 8.7500 116.0456 60.8969 71.8519 172.2847 141 F 5.1602 8.6080 125.9722 57.4713 43.1915 172.9216 142 G 4.7884 8.0979 110.0118 46.2382 0.0000 172.2267 143 V 4.9117 8.6329 123.7267 60.8510 34.5621 174.5630 144 G 4.2386 9.3062 115.4600 44.4378 0.0000 171.5067 145 I 5.3271 8.6616 125.7785 59.6174 39.6914 174.5562 146 N 5.3115 9.3238 124.8285 51.8594 43.0045 172.8941 147 H 3.5363 8.3015 119.8948 54.9413 29.4261 175.1007 148 I 3.8619 7.8320 121.6725 60.9739 37.8380 174.8675 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 T 8.03 4.36 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 1.23 0.00 0.00 3 L 8.23 4.50 0.00 1.61 1.46 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.94 4.12 0.00 3.27 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.86 3.86 0.00 1.81 1.75 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.04 7.81 6 E 8.22 4.37 0.00 2.15 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 2.30 2.44 0.00 7 R 8.20 4.94 0.00 2.51 2.36 0.00 2.82 0.00 0.00 2.97 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 8 R 7.80 4.32 0.00 1.83 1.85 0.00 3.08 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 9 I 8.36 3.18 1.91 0.00 0.00 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 1.47 0.91 0.90 0.00 0.00 10 G 7.85 3.53 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 0.00 0.00 0.00 11 R 7.78 3.97 0.00 2.01 2.16 0.00 2.93 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 12 L 7.82 3.88 0.00 1.38 1.40 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.70 4.03 0.00 4.00 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 14 V 7.89 3.69 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 1.25 0.00 0.00 1.13 0.00 0.00 15 L 8.14 4.00 0.00 1.78 1.67 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.83 4.04 0.00 1.62 1.87 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.19 4.25 0.00 1.93 1.73 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.56 4.30 0.00 1.59 1.48 0.85 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.43 4.82 0.00 2.80 2.68 0.00 0.00 7.26 7.66 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 20 E 8.55 3.51 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 *26 Q 7.75 4.41 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.90 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 27 V 7.79 3.66 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 1.09 0.00 0.00 0.92 0.00 0.00 28 E 8.30 4.04 0.00 2.11 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 2.41 2.46 0.00 29 E 8.18 4.06 0.00 1.97 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 2.32 1.98 0.00 30 L 8.05 4.54 0.00 1.95 1.87 0.87 0.74 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 31 E 8.10 4.67 0.00 2.20 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 0.00 2.50 2.32 0.00 32 R 8.23 4.07 0.00 1.86 1.84 0.00 3.27 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 33 D 7.35 4.68 0.00 2.76 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 34 G 8.12 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 0.00 0.00 0.00 35 W 8.42 5.11 0.00 3.51 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 36 K 9.13 4.87 0.00 1.99 1.78 0.00 1.51 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.49 7.81 37 V 8.45 5.19 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 0.82 0.00 0.00 0.93 0.00 0.00 38 C 8.77 4.93 0.00 3.07 2.82 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 39 L 8.21 5.06 0.00 1.40 1.31 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.37 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 0.00 0.00 0.00 41 K 8.25 5.25 0.00 1.53 1.64 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.28 7.81 42 V 9.09 4.46 2.23 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 0.85 0.00 0.00 1.00 0.00 0.00 43 G 8.44 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.73 4.73 0.00 3.82 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 45 M 8.43 4.44 0.00 2.21 2.24 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 2.57 2.52 0.00 46 D 8.24 5.08 0.00 2.50 2.37 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 47 A 8.58 4.10 1.28 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 0.00 0.00 0.00 0.00 0.00 48 H 8.13 4.30 0.00 3.43 3.58 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.42 4.05 0.00 1.89 1.82 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.14 7.81 50 V 7.43 3.44 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 0.94 0.00 0.00 0.87 0.00 0.00 51 I 7.52 3.54 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.81 0.00 0.00 52 A 7.88 3.97 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 53 A 7.98 4.03 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 54 I 7.19 3.19 1.65 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.28 0.67 0.00 0.00 55 E 8.34 3.90 0.00 2.11 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 2.33 2.38 0.00 56 T 7.90 3.85 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 57 A 7.89 4.00 1.59 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 58 S 8.37 4.22 0.00 3.94 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 59 K 8.22 4.11 0.00 1.98 1.89 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.54 7.81 60 K 8.65 4.20 0.00 1.82 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 61 S 7.98 4.79 0.00 4.04 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 62 G 8.56 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 63 V 7.52 3.60 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 0.91 0.00 0.00 0.99 0.00 0.00 64 I 7.40 4.73 1.88 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 1.32 0.86 0.93 0.00 0.00 65 Q 9.13 4.12 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 66 S 8.87 4.24 0.00 3.99 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 67 E 8.03 4.62 0.00 1.97 1.73 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 2.12 1.83 0.00 68 G 8.68 4.12 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 0.00 69 Y 8.21 4.68 0.00 2.97 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 70 R 8.01 3.69 0.00 1.87 1.89 0.00 3.19 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 71 E 8.02 4.04 0.00 2.04 1.97 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 2.36 2.37 0.00 72 S 7.79 4.34 0.00 4.11 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 73 H 7.72 4.22 0.00 2.52 3.18 0.00 5.59 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 74 A 7.75 3.90 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 75 L 7.86 3.97 0.00 1.88 1.68 0.90 0.61 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 76 Y 7.73 3.88 0.00 3.19 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 77 H 8.56 4.16 0.00 3.25 3.32 0.00 5.68 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 78 A 8.05 4.00 1.43 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 0.00 0.00 79 T 7.95 3.70 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 1.01 0.00 0.00 80 M 7.80 3.86 0.00 1.95 2.22 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 81 E 8.54 4.15 0.00 2.16 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 2.37 2.61 0.00 82 A 7.95 4.05 1.43 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 0.00 0.00 83 L 8.29 3.97 0.00 1.71 1.63 0.78 0.93 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 84 H 7.98 4.27 0.00 3.49 3.36 0.00 5.81 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 85 G 7.39 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 86 V 7.90 4.15 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 1.15 0.00 0.00 0.93 0.00 0.00 87 T 8.16 4.18 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 1.17 0.00 0.00 88 R 8.79 3.73 0.00 2.02 2.04 0.00 3.18 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 89 G 7.71 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 4.55 0.00 1.93 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 0.00 2.21 2.20 0.00 91 M 8.42 4.39 0.00 1.92 1.90 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 2.48 2.48 0.00 92 L 7.29 4.86 0.00 1.60 1.48 0.92 0.99 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 93 L 7.88 4.53 0.00 1.76 1.63 0.88 0.85 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 94 G 7.93 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 95 S 8.01 4.36 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 96 L 7.53 4.57 0.00 1.72 1.66 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.58 3.62 0.00 1.73 1.67 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.11 4.96 0.00 1.84 1.82 0.00 3.06 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 99 T 9.02 4.85 4.22 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 1.27 0.00 0.00 100 V 8.36 5.31 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 0.50 0.00 0.00 0.94 0.00 0.00 101 G 7.96 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 0.00 0.00 0.00 0.00 102 L 8.78 4.85 0.00 1.82 1.63 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.38 5.16 0.00 1.81 1.78 0.00 3.02 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 104 F 8.72 5.64 0.00 3.16 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 0.00 105 A 8.82 5.19 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 0.00 106 V 8.88 4.75 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 1.02 0.00 0.00 1.06 0.00 0.00 107 L 8.47 5.11 0.00 1.55 1.37 0.23 0.24 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 0.00 108 R 9.92 5.29 0.00 1.97 1.85 0.00 3.34 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 109 G 7.97 4.12 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 0.00 110 N 7.91 5.28 0.00 2.76 2.73 0.00 0.00 6.85 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 0.00 111 P 0.00 4.93 0.00 1.90 2.45 0.00 4.10 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.95 0.00 112 Y 8.10 5.59 0.00 3.10 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 0.00 113 E 8.53 4.13 0.00 1.99 1.81 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 2.23 1.87 0.00 114 S 7.73 4.50 0.00 3.99 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 0.00 115 E 8.54 4.41 0.00 1.97 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 2.24 2.35 0.00 116 A 7.79 4.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.23 3.97 0.00 2.09 2.30 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 1.47 2.34 0.00 118 G 8.15 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 0.00 119 D 8.43 4.85 0.00 2.71 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 0.00 120 W 9.97 4.91 0.00 3.38 3.30 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 0.00 121 I 9.51 5.18 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.81 0.97 0.00 0.00 122 A 8.88 5.08 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 0.00 123 V 8.68 4.26 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 0.93 0.00 0.00 0.90 0.00 0.00 124 S 8.91 5.24 0.00 3.74 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.67 5.21 0.00 1.36 1.43 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.98 5.16 0.00 2.77 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 0.00 127 G 7.06 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 0.00 128 T 7.51 5.01 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 1.13 0.00 0.00 129 I 7.74 5.38 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.68 0.82 0.00 0.00 130 G 8.38 4.47 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 0.00 131 A 8.84 4.46 1.24 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 0.00 0.00 0.00 132 P 0.00 4.22 0.00 2.04 2.15 0.00 3.68 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 2.03 2.12 0.00 133 I 7.79 3.73 1.86 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 1.27 1.41 0.91 0.00 0.00 134 K 8.34 4.27 0.00 1.78 1.60 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 135 G 8.99 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 0.00 0.00 0.00 136 L 7.60 4.35 0.00 1.87 1.63 0.92 0.72 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 0.00 137 E 7.78 4.99 0.00 2.10 1.83 0.00 0.00 0.00 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 2.22 0.00 138 H 7.90 5.11 0.00 3.20 3.44 0.00 5.46 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.79 4.64 0.00 1.98 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 2.33 2.36 0.00 140 T 8.75 4.88 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 1.17 0.00 0.00 141 F 8.61 5.16 0.00 3.31 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 0.00 142 G 8.10 4.79 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 0.00 0.00 0.00 143 V 8.63 4.91 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 0.86 0.00 0.00 1.00 0.00 0.00 144 G 9.31 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 0.00 0.00 0.00 0.00 145 I 8.66 5.33 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 1.20 0.00 0.00 146 N 9.32 5.31 0.00 2.83 2.57 0.00 0.00 6.56 7.45 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 0.00 147 H 8.30 3.54 0.00 2.13 1.31 0.00 5.54 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.83 3.86 1.84 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 1.13 0.86 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.