NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 S 4.5131 8.3193 116.7995 58.7150 64.2522 172.6832 41 T 4.7745 8.1718 114.3435 59.0890 72.0771 167.9642 42 V 4.1758 10.0102 125.1188 62.3658 33.9512 175.7859 43 T 4.9560 8.2800 123.0102 61.9113 70.2469 174.0694 44 K 4.4345 8.7395 125.5233 54.3153 35.7047 175.3170 45 V 4.7774 8.2700 123.6985 60.9418 34.2142 174.4374 46 I 4.7494 8.5127 120.6979 59.4726 40.7306 174.1272 47 H 5.5280 8.7162 119.4298 54.6866 32.8485 172.2052 48 H 5.0042 9.2976 119.5454 54.9358 33.5744 171.9682 49 E 5.2020 8.4708 122.9040 54.5517 33.4955 175.0964 50 L 4.6243 8.6206 124.2147 53.5286 45.4218 175.1234 51 E 4.7350 8.9051 126.3758 56.2772 30.7028 176.5080 52 V 4.4648 8.7719 122.8262 60.4085 35.1211 175.7065 53 A 4.5608 8.4788 131.9879 51.9251 18.1711 176.2665 54 A 4.7979 7.4440 122.9313 49.7759 23.1918 176.4828 55 S 4.2641 8.4633 114.3296 58.1991 65.0866 175.2157 56 A 4.0831 8.7110 125.4860 55.8584 18.0497 179.9939 57 D 4.5835 8.1271 116.7517 57.6486 40.7381 178.5221 58 D 4.4663 7.7851 118.5647 57.0647 41.2164 178.7036 59 I 4.0028 7.8953 120.4526 64.2598 37.2051 178.1364 60 W 4.5691 8.8599 129.6339 60.9310 30.1993 177.8291 61 T 3.7864 7.8719 115.0255 66.6567 68.2718 176.3765 62 V 3.7271 7.7311 119.5314 66.3830 31.5424 177.7518 63 Y 3.9891 8.0499 116.1220 60.6205 37.8433 177.8252 64 S 4.2403 7.3786 111.7911 57.7081 63.8765 174.0192 65 W 4.4194 7.8480 133.3227 56.8358 30.8408 174.9797 66 P 4.4987 0.0000 0.0000 64.8748 29.5955 178.0482 67 G 2.6935 6.2163 102.6907 44.8546 0.0000 175.0474 68 L 3.9191 6.9748 123.4932 57.6213 42.1107 178.4415 69 A 3.8788 7.6887 120.5883 55.0694 18.1790 179.3631 70 K 4.0368 7.0843 113.2832 58.8683 32.8486 177.7325 71 H 5.0109 7.5860 118.1882 54.8288 29.1257 175.9157 72 L 4.0542 7.7534 123.5575 57.6365 40.9791 177.6777 73 P 4.4788 0.0000 0.0000 65.5507 30.8029 178.4694 74 D 4.3982 8.0537 117.5676 57.2595 40.6817 178.3352 75 L 4.1975 8.1899 120.1349 56.5967 43.7254 176.9651 76 L 4.7396 8.1811 118.5734 51.7924 41.8645 173.2910 77 P 4.5920 0.0000 0.0000 63.0756 32.1610 177.4357 78 G 3.8723 8.9169 109.9371 45.7100 0.0000 174.2864 79 A 3.9189 7.7847 123.1963 54.1257 18.4819 178.3049 80 F 4.8160 7.3680 112.4734 55.6914 41.3040 175.4976 81 E 4.1502 8.8420 125.7176 58.4021 29.8336 176.9679 82 K 4.5336 7.4266 117.7409 54.6469 35.4710 175.0771 83 L 4.4149 8.2857 128.2875 53.1838 44.5386 174.6685 84 E 4.4408 8.9666 128.5442 54.6639 31.5533 174.3854 85 I 4.5704 8.2156 127.6891 59.8778 39.1251 175.3630 86 I 4.1019 8.9467 129.7466 63.2568 38.3814 174.2924 87 G 3.9073 8.4433 112.8745 43.6536 0.0000 171.5701 88 D 4.4485 8.4540 117.5789 53.5806 39.9292 177.2534 89 G 4.4114 7.9041 109.4885 46.5158 0.0000 174.0493 90 G 3.8975 8.4671 109.2630 43.7352 0.0000 172.8927 91 V 2.9310 7.4917 118.5243 64.3945 31.5451 176.2868 92 G 4.0488 9.2010 115.8920 45.4623 0.0000 174.1469 93 T 4.2129 8.0337 117.2046 63.9949 69.6582 173.3041 94 I 4.8991 8.5877 126.3499 59.5997 40.0233 174.4374 95 L 5.0139 9.0824 126.6298 53.0550 44.2615 175.4818 96 D 5.0119 8.7061 123.1862 52.6263 44.8077 174.6586 *98 T 4.1384 8.1068 115.8439 63.3224 69.8706 173.7816 99 F 5.0902 8.7396 124.6003 55.3649 41.9608 176.2044 100 V 3.8654 8.3078 113.1042 60.4768 32.0742 174.4227 101 P 4.4281 0.0000 0.0000 64.5182 31.5976 176.3178 102 G 4.1420 9.0619 109.9708 45.6120 0.0000 173.7745 103 E 4.4265 7.6677 118.0575 55.2689 30.6150 175.4322 104 F 4.6445 8.1231 123.5060 56.2019 41.9155 173.4030 105 P 2.9700 0.0000 0.0000 57.2851 31.2040 175.3465 106 H 4.5035 8.3343 122.2817 59.0595 31.2156 174.5759 107 E 4.8556 7.7849 117.1064 55.2631 32.7855 173.5816 108 Y 5.1840 7.7985 123.0736 56.0121 41.4825 173.6193 109 K 4.9393 9.2467 120.0470 54.8460 35.0166 175.3417 110 E 5.1538 9.3614 123.4567 54.3988 33.4613 174.7651 111 K 4.9778 9.1102 124.3141 54.4885 35.5581 174.9602 112 F 4.9569 9.3855 130.3628 58.6172 38.9041 175.1267 113 I 4.0332 8.8897 127.8905 62.8924 38.5180 176.5452 114 L 4.6330 7.8825 122.3280 53.7366 45.5996 174.4093 115 V 5.0781 8.4902 125.0984 61.2924 34.4918 174.1884 116 D 4.8022 9.5205 127.9176 52.4581 42.5171 175.9162 117 N 4.4302 8.8991 124.4725 56.1107 39.2351 177.4737 118 E 3.7590 8.3353 117.8331 59.5577 29.6023 177.2501 119 H 4.3944 8.0818 112.0456 55.2465 29.8030 175.1697 120 R 2.0000 6.8784 118.1403 56.5828 27.8437 175.3531 121 L 5.3139 7.4251 118.9370 53.1130 46.1151 175.8095 122 K 5.4357 9.4028 126.1713 54.7971 36.0779 174.7383 123 K 5.1869 9.3427 126.1432 54.6637 35.4249 175.3589 124 V 4.8134 8.8357 124.2692 60.9266 33.8993 174.2130 125 Q 5.0578 9.1646 133.8556 55.3528 30.4228 178.1684 *127 I 4.3254 8.5054 108.8126 60.1716 39.6578 175.3658 128 E 4.5162 7.9584 119.8701 55.9622 33.0011 176.0621 129 G 3.5460 8.7636 113.8788 46.0510 0.0000 173.8076 130 G 3.3107 7.6810 108.3561 46.6610 0.0000 176.8846 131 Y 4.3249 7.5270 119.2048 60.4396 37.9414 177.8810 132 L 4.5609 7.3567 118.4019 56.6469 41.6894 177.4680 133 D 4.7384 7.9043 116.9595 54.3040 41.1706 176.3345 134 L 4.4064 7.5752 119.6111 54.3106 42.6120 177.5533 135 G 3.3258 7.6820 104.3696 45.4687 0.0000 173.1190 136 V 4.6417 7.3803 120.2266 62.0261 32.3293 176.0628 137 T 4.6569 8.6665 116.6710 62.1952 70.4902 173.9922 138 Y 4.9134 7.8455 123.1209 56.7741 42.1701 172.5504 139 Y 5.1194 7.5289 125.4241 55.9661 43.0184 172.9218 *141 D 4.6795 8.5342 122.3876 54.5816 42.9924 174.5404 142 T 5.1015 9.0398 118.8693 61.8464 72.3170 172.8631 143 I 4.8969 8.8696 126.9190 59.7232 40.6054 174.2916 144 H 5.0782 9.1678 125.8976 54.6141 32.9000 172.3214 145 V 4.4172 8.4568 127.5947 61.9584 32.0803 175.1237 146 V 4.3481 8.4627 129.6352 60.1306 33.4208 173.4143 147 P 4.6210 0.0000 0.0000 63.0792 31.6725 175.3720 148 T 4.2683 8.1897 112.5173 62.4344 70.4186 176.1153 149 G 4.3868 8.1086 115.6868 43.3580 0.0000 172.9650 150 K 4.1902 8.7706 118.0430 59.0051 32.3210 177.4364 151 D 5.2405 7.9506 117.2743 53.7403 41.8958 176.1537 152 S 5.1211 8.3296 111.2460 56.2197 67.1786 171.9548 153 C 5.0964 8.8278 114.6833 57.5575 33.6603 172.4338 154 V 4.7205 8.8514 119.3703 61.1287 34.0920 174.4118 155 I 4.3353 8.9643 129.6982 60.6214 38.1399 175.3197 156 K 4.7495 9.0907 129.2119 55.2195 33.2613 175.9124 157 S 5.4134 8.9873 122.3010 56.8531 65.8758 173.7952 158 S 5.0402 9.0988 117.1109 57.3750 67.0592 172.7002 159 T 4.6790 8.6873 115.2493 60.3291 69.9568 171.8882 160 E 5.2351 8.6358 129.5377 54.6887 32.1690 173.9247 161 Y 5.1528 8.6546 123.6271 55.7982 42.3798 173.3432 162 H 5.5586 9.2604 117.6975 54.2055 31.7084 173.3322 163 V 5.0448 8.8753 123.1103 60.6737 35.0774 174.8225 164 K 4.4371 8.8909 126.5078 55.8933 32.1648 176.5184 165 P 4.4159 0.0000 0.0000 65.6768 31.0683 178.5075 166 E 4.0573 8.3569 114.7871 58.3266 29.5961 177.8023 167 F 4.7838 8.5248 117.1870 56.9997 40.5797 177.2773 168 V 3.7692 7.6528 112.1499 64.4743 31.1216 178.3251 169 K 4.1556 7.9875 116.6251 58.7449 32.0870 179.0742 170 I 3.9756 7.5739 119.3146 64.2041 37.6095 177.8965 171 V 4.0104 8.2315 112.7686 62.9741 31.2991 177.9382 172 E 3.9828 8.2324 119.6154 59.3294 29.2607 177.5301 173 P 4.1102 0.0000 0.0000 64.7412 31.5383 178.0672 174 L 4.4429 7.8944 117.7501 55.5446 41.9191 177.0078 175 I 3.8240 6.6209 120.1164 60.0805 37.4261 174.9894 176 T 4.7448 8.0206 114.6131 59.3570 72.0678 174.1169 177 T 4.3905 8.4968 109.6722 62.0949 68.8780 176.3090 178 G 3.9326 7.9477 109.6251 48.2520 0.0000 173.9374 179 P 4.3417 0.0000 0.0000 65.0679 31.5643 178.5123 180 L 4.2204 7.9195 115.8181 57.5700 41.8820 178.9194 181 A 4.0082 8.4156 121.0034 54.9434 18.2792 179.9461 182 A 3.9180 8.1860 115.8850 53.2317 18.3990 179.0395 *184 A 4.5908 7.7741 123.2509 53.8956 20.8199 179.6278 185 D 4.3995 8.6243 115.7725 57.6676 40.8829 179.1675 186 A 4.0166 8.0204 121.0820 55.0966 18.3646 179.8484 187 I 3.6130 7.6064 118.1077 64.4421 37.3129 178.5201 188 S 4.1671 8.2083 115.1747 61.6356 62.8212 176.7686 189 K 4.0402 8.1613 122.1324 58.8593 31.5161 179.0966 190 L 3.9319 7.7679 119.9304 58.1451 41.7888 178.9003 191 V 3.7541 7.9396 118.1292 65.5867 31.2786 178.1145 192 L 3.9146 8.2430 118.5111 57.6757 41.6837 178.9640 193 E 4.0154 7.8514 114.4133 57.0791 29.7819 176.4601 194 H 4.3778 7.3520 121.2471 56.4741 29.5260 174.2953 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 40 S 8.32 4.51 0.00 3.90 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 41 T 8.17 4.77 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 42 V 10.01 4.18 2.11 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 0.99 0.00 0.00 0.94 0.00 0.00 43 T 8.28 4.96 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 1.16 0.00 0.00 44 K 8.74 4.43 0.00 0.79 0.95 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.62 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 1.10 7.81 45 V 8.27 4.78 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 0.69 0.00 0.00 0.87 0.00 0.00 46 I 8.51 4.75 1.89 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 1.38 0.78 0.96 0.00 0.00 47 H 8.72 5.53 0.00 3.01 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 9.30 5.00 0.00 3.24 3.11 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.47 5.20 0.00 1.78 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 2.19 2.25 0.00 50 L 8.62 4.62 0.00 1.71 1.53 0.99 0.99 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 51 E 8.91 4.73 0.00 1.90 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 0.00 2.31 2.30 0.00 52 V 8.77 4.46 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 0.99 0.00 0.00 1.04 0.00 0.00 53 A 8.48 4.56 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 54 A 7.44 4.80 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 55 S 8.46 4.26 0.00 4.09 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 56 A 8.71 4.08 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 57 D 8.13 4.58 0.00 2.76 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 58 D 7.79 4.47 0.00 2.79 2.76 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 0.00 0.00 0.00 59 I 7.90 4.00 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 1.24 0.00 0.00 60 W 8.86 4.57 0.00 3.44 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 61 T 7.87 3.79 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 1.12 0.00 0.00 62 V 7.73 3.73 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 0.99 0.00 0.00 0.86 0.00 0.00 63 Y 8.05 3.99 0.00 2.94 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 64 S 7.38 4.24 0.00 3.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 W 7.85 4.42 0.00 3.51 3.27 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 66 P 0.00 4.50 0.00 2.12 2.04 0.00 4.15 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 67 G 6.22 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 0.00 0.00 0.00 68 L 6.97 3.92 0.00 1.86 1.63 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.69 3.88 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 70 K 7.08 4.04 0.00 1.77 1.78 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.11 7.81 71 H 7.59 5.01 0.00 3.29 3.40 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 72 L 7.75 4.05 0.00 1.75 1.97 0.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.48 0.00 2.18 2.17 0.00 3.52 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 2.08 2.21 0.00 74 D 8.05 4.40 0.00 2.92 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 75 L 8.19 4.20 0.00 1.83 1.89 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.18 4.74 0.00 1.69 1.40 0.97 0.91 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 77 P 0.00 4.59 0.00 2.03 1.99 0.00 3.78 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 78 G 8.92 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 0.00 0.00 0.00 79 A 7.78 3.92 0.70 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 80 F 7.37 4.82 0.00 2.93 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.84 4.15 0.00 1.89 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 2.28 2.23 0.00 82 K 7.43 4.53 0.00 1.64 1.43 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.17 1.32 7.81 83 L 8.29 4.41 0.00 0.92 1.18 0.29 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.97 4.44 0.00 1.92 1.65 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 2.13 2.18 0.00 85 I 8.22 4.57 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.83 0.00 0.00 86 I 8.95 4.10 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.94 0.88 0.00 0.00 87 G 8.44 3.91 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 0.00 0.00 0.00 88 D 8.45 4.45 0.00 2.74 2.76 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 0.00 0.00 0.00 89 G 7.90 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 90 G 8.47 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 0.00 0.00 0.00 91 V 7.49 2.93 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 0.69 0.00 0.00 0.33 0.00 0.00 92 G 9.20 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 93 T 8.03 4.21 4.44 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 1.28 0.00 0.00 94 I 8.59 4.90 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 1.25 0.84 0.90 0.00 0.00 95 L 9.08 5.01 0.00 1.43 1.36 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.71 5.01 0.00 2.58 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 *98 T 8.11 4.14 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 1.01 0.00 0.00 99 F 8.74 5.09 0.00 2.88 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 0.00 100 V 8.31 3.87 2.11 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 0.88 0.00 0.00 0.97 0.00 0.00 101 P 0.00 4.43 0.00 2.05 2.02 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 102 G 9.06 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 0.00 0.00 0.00 0.00 103 E 7.67 4.43 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 104 F 8.12 4.64 0.00 2.98 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 0.00 105 P 0.00 2.97 0.00 1.93 1.75 0.00 3.41 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.00 106 H 8.33 4.50 0.00 3.27 3.26 0.00 5.90 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.78 4.86 0.00 1.83 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 108 Y 7.80 5.18 0.00 2.93 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 0.00 109 K 9.25 4.94 0.00 1.70 1.74 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.32 1.37 7.81 110 E 9.36 5.15 0.00 1.90 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 2.39 2.50 0.00 111 K 9.11 4.98 0.00 1.78 1.66 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.39 7.81 112 F 9.39 4.96 0.00 3.10 2.85 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 0.00 113 I 8.89 4.03 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.99 0.00 0.00 114 L 7.88 4.63 0.00 1.78 1.57 0.97 0.87 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 0.00 115 V 8.49 5.08 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 1.29 0.00 0.00 1.00 0.00 0.00 116 D 9.52 4.80 0.00 2.72 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 0.00 117 N 8.90 4.43 0.00 2.92 3.04 0.00 0.00 6.66 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 0.00 118 E 8.34 3.76 0.00 1.82 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 2.09 2.24 0.00 119 H 8.08 4.39 0.00 3.18 3.19 0.00 5.86 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 6.88 2.00 0.00 1.71 1.24 0.00 3.00 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.13 0.00 121 L 7.43 5.31 0.00 1.48 1.37 0.73 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 122 K 9.40 5.44 0.00 2.31 1.82 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.70 7.81 123 K 9.34 5.19 0.00 1.84 1.74 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 124 V 8.84 4.81 2.11 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 0.84 0.00 0.00 0.79 0.00 0.00 125 Q 9.16 5.06 0.00 2.19 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.17 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 *127 I 8.51 4.33 1.89 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 1.39 0.73 0.93 0.00 0.00 128 E 7.96 4.52 0.00 2.03 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 2.21 2.25 0.00 129 G 8.76 3.55 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 0.00 130 G 7.68 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 0.00 0.00 0.00 131 Y 7.53 4.32 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.36 4.56 0.00 1.65 1.73 0.90 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.90 4.74 0.00 2.85 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 0.00 134 L 7.58 4.41 0.00 1.78 1.64 0.86 1.02 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 0.00 135 G 7.68 3.33 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 0.00 0.00 0.00 136 V 7.38 4.64 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 1.31 0.00 0.00 1.00 0.00 0.00 137 T 8.67 4.66 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 1.28 0.00 0.00 138 Y 7.85 4.91 0.00 2.99 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 0.00 139 Y 7.53 5.12 0.00 3.03 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.68 0.00 2.84 2.66 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 0.00 142 T 9.04 5.10 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 0.00 143 I 8.87 4.90 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.71 0.33 0.00 0.00 144 H 9.17 5.08 0.00 3.09 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.46 4.42 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 0.91 0.00 0.00 1.03 0.00 0.00 146 V 8.46 4.35 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 0.87 0.00 0.00 0.63 0.00 0.00 147 P 0.00 4.62 0.00 2.21 2.03 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 148 T 8.19 4.27 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 1.20 0.00 0.00 149 G 8.11 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 0.00 0.00 0.00 0.00 150 K 8.77 4.19 0.00 1.77 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 151 D 7.95 5.24 0.00 2.52 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.33 5.12 0.00 3.84 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 0.00 153 C 8.83 5.10 0.00 3.22 3.12 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 0.00 154 V 8.85 4.72 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.92 0.00 0.00 155 I 8.96 4.34 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.94 0.00 0.00 156 K 9.09 4.75 0.00 1.80 1.78 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.37 7.81 157 S 8.99 5.41 0.00 3.84 3.79 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 0.00 158 S 9.10 5.04 0.00 3.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 T 8.69 4.68 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 1.17 0.00 0.00 160 E 8.64 5.24 0.00 2.06 1.82 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 2.42 2.28 0.00 161 Y 8.65 5.15 0.00 3.11 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 0.00 162 H 9.26 5.56 0.00 3.23 3.25 0.00 5.55 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.88 5.04 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 1.20 0.00 0.00 1.26 0.00 0.00 164 K 8.89 4.44 0.00 2.07 2.03 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.64 7.81 165 P 0.00 4.42 0.00 2.18 2.14 0.00 3.67 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 166 E 8.36 4.06 0.00 1.87 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 2.47 2.61 0.00 167 F 8.52 4.78 0.00 3.27 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 0.00 168 V 7.65 3.77 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 1.05 0.00 0.00 1.03 0.00 0.00 169 K 7.99 4.16 0.00 1.70 1.87 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.60 7.81 170 I 7.57 3.98 2.17 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.45 1.00 0.00 0.00 171 V 8.23 4.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.04 0.00 0.00 172 E 8.23 3.98 0.00 2.18 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 0.00 2.36 2.45 0.00 173 P 0.00 4.11 0.00 2.08 2.11 0.00 3.84 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 2.19 0.00 174 L 7.89 4.44 0.00 1.85 2.08 0.90 1.16 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 0.00 175 I 6.62 3.82 1.39 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.61 0.00 0.00 176 T 8.02 4.74 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 0.00 177 T 8.50 4.39 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 0.00 178 G 7.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.34 0.00 2.15 2.29 0.00 3.80 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 2.15 2.26 0.00 180 L 7.92 4.22 0.00 1.79 1.80 1.00 0.86 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 0.00 181 A 8.42 4.01 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 0.00 182 A 8.19 3.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *184 A 7.77 4.59 1.55 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 0.00 185 D 8.62 4.40 0.00 2.82 2.76 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 0.00 0.00 0.00 186 A 8.02 4.02 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 0.00 187 I 7.61 3.61 1.69 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 0.82 0.00 0.00 188 S 8.21 4.17 0.00 4.08 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 0.00 189 K 8.16 4.04 0.00 1.93 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.58 7.81 190 L 7.77 3.93 0.00 1.76 1.89 0.91 0.74 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 0.00 191 V 7.94 3.75 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 0.98 0.00 0.00 0.96 0.00 0.00 192 L 8.24 3.91 0.00 1.64 1.67 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 193 E 7.85 4.02 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 194 H 7.35 4.38 0.00 3.32 3.30 0.00 5.88 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 * Residues marked with a * may have inaccurate shift predictions.