NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2841 8.4449 121.4728 55.9349 31.3950 175.9468 2 L 3.9321 8.2860 116.8380 53.8698 43.1318 171.4196 3 V 4.2863 9.1251 125.0883 61.9754 34.4475 174.1085 4 M 5.1328 8.6043 125.8872 53.9434 34.8051 174.9194 5 T 4.5746 8.8811 121.2361 62.0447 70.7516 173.4972 6 Q 5.3760 8.7700 126.0935 54.7185 30.7134 175.4237 7 T 4.8875 8.7975 112.8289 59.5500 72.5226 171.7858 8 P 4.6769 0.0000 0.0000 62.2089 32.4343 176.5407 9 A 4.4275 8.5842 123.3154 54.7539 19.6568 177.5924 10 I 5.1663 7.5382 115.3560 60.1648 41.0867 174.7546 11 M 4.8554 9.0157 123.0707 54.2186 34.7966 173.4881 12 S 5.3955 8.6934 114.2401 56.7183 65.7405 172.9635 13 A 4.9577 8.7444 126.1793 50.4017 22.6943 176.0646 14 S 4.5852 9.2412 118.1702 57.3658 64.4718 172.4406 15 P 4.5306 0.0000 0.0000 64.2189 31.5048 177.3180 16 G 4.4170 9.1218 111.7078 44.4145 0.0000 173.2365 17 E 4.1665 7.9910 121.6693 55.6301 31.0924 175.4866 18 K 4.7328 8.4871 127.6855 55.4177 32.9657 175.7566 19 V 4.3324 8.4091 128.1339 61.5977 33.7450 174.6839 20 T 5.0100 8.3397 123.2907 62.0608 71.7831 172.8947 21 M 4.8033 8.7906 124.2935 53.7532 34.3205 175.1336 22 T 5.4193 9.2736 117.5107 62.2364 72.6191 172.6202 23 C 5.3912 9.5412 123.2638 55.3551 48.1812 172.4373 24 S 5.4395 9.0640 121.4189 56.4999 64.8892 172.4302 25 A 5.1612 9.1869 129.6173 50.7013 20.0637 178.1448 26 S 4.3703 8.9786 117.1503 60.5384 63.5475 174.4790 27 S 4.4135 7.5529 113.2937 56.8444 65.3799 173.2467 *29 S 4.5074 8.4210 119.9360 58.3598 63.6957 173.4780 30 V 4.4391 8.3168 118.4516 59.1233 34.1303 176.2647 31 S 4.1245 8.3579 117.1701 60.7329 63.3187 173.5323 32 S 4.6972 6.8214 114.2082 58.0730 65.8975 175.0602 33 V 4.6267 7.8317 119.4323 60.4357 34.6673 173.9804 34 H 5.4061 9.2867 120.5760 54.2837 31.5138 173.8072 35 W 5.3227 9.2779 121.0372 55.2221 32.3246 174.2557 36 Y 5.3892 9.9357 121.5575 56.3421 41.3662 174.2735 37 Q 4.5155 9.2841 124.0241 54.3593 32.1045 174.3510 38 Q 4.6378 8.2826 126.4271 54.9370 32.6764 173.9838 39 K 4.6182 8.1826 125.3697 54.6273 34.6936 176.3506 40 S 4.2576 8.4306 116.7853 60.1884 62.4630 174.6929 41 G 3.9678 9.3374 116.3084 45.3291 0.0000 172.1454 42 T 4.6727 7.4595 108.4138 59.1652 71.8583 173.4525 43 S 4.4775 8.2311 116.1438 57.2244 64.1871 172.1878 44 P 4.7283 0.0000 0.0000 62.9207 32.4812 176.0218 45 K 4.6399 8.9603 121.3773 55.2984 36.0297 174.8342 46 R 4.1091 9.2405 128.5829 56.9988 29.8043 175.4712 47 W 4.5809 9.5101 135.0000 58.0852 33.0969 176.1211 48 I 5.0401 7.8565 119.9030 59.6455 41.2961 173.6964 49 Y 5.0379 9.0958 125.2419 55.4693 40.8081 175.2697 50 D 4.9008 9.8186 119.4307 55.4514 39.8728 174.0938 51 T 4.2770 9.2214 120.8751 63.6749 67.9872 174.1093 52 S 4.8751 7.6220 108.8070 56.0273 64.8209 173.4309 53 K 4.2949 7.5856 121.5554 55.1481 33.7325 175.3720 54 L 4.8324 8.1521 123.6825 52.9046 43.3935 174.9433 55 P 4.7143 0.0000 0.0000 61.6230 33.2289 175.9364 56 S 4.2436 8.3763 117.5244 60.4028 63.1088 174.3734 57 G 3.9327 8.8161 112.8019 45.3752 0.0000 173.9917 58 V 3.0054 6.8388 119.4227 61.3800 31.9235 173.9525 59 P 4.3622 0.0000 0.0000 62.9433 31.7135 177.6320 60 G 3.7805 8.7230 110.7793 48.1251 0.0000 174.6501 61 R 4.1266 7.9539 115.8365 57.4543 30.5198 176.2186 62 F 5.0869 8.0250 119.5429 56.7274 40.1587 175.1911 63 S 4.7856 9.3577 117.4349 57.2620 67.4573 172.6213 64 G 4.6754 8.5997 104.3557 46.2701 0.0000 172.3021 65 S 4.8308 8.7731 116.3961 56.7470 67.0025 173.3905 66 G 4.2191 8.0513 108.6758 44.2164 0.0000 171.7418 67 S 4.1608 7.6281 112.2898 58.1157 66.6408 176.8099 68 G 4.0918 8.6906 114.8560 46.0927 0.0000 174.1870 69 T 4.8900 8.4081 108.7179 60.6883 71.9440 174.6183 70 S 5.1129 8.2010 117.8797 57.1062 65.3833 172.3146 71 Y 5.4285 9.4203 124.1586 56.5465 42.5821 174.4010 72 S 5.2989 9.8929 114.7913 57.1132 67.3412 172.4977 73 L 4.7264 8.2256 122.4764 53.4123 44.6696 175.2892 74 T 4.9879 8.6344 122.3236 61.7190 72.6205 173.3345 75 I 4.4765 8.3687 125.5886 59.4571 38.9422 176.0921 76 S 4.0341 9.2648 124.3245 61.0434 63.6942 174.8032 77 S 4.4183 7.6881 118.8262 55.7850 65.0125 172.2702 78 M 4.3099 8.8878 128.3008 56.3865 33.1938 174.9100 79 E 4.9730 8.9967 122.5144 54.3343 33.9093 176.5007 80 A 3.9664 8.9828 125.6399 55.5467 18.3776 179.7494 81 E 4.1464 8.1653 110.6951 58.3486 29.6104 177.2473 82 D 4.7152 8.2876 119.0555 55.4025 41.3963 176.3126 83 A 4.3418 8.2666 122.5079 52.3746 18.9066 176.9564 84 A 4.1694 8.2377 123.3907 52.5590 24.4174 174.3144 85 T 4.9496 7.6088 114.0943 62.2477 71.1370 173.7092 86 Y 5.2848 8.9448 123.7246 56.4527 40.9974 174.2525 87 Y 5.4988 9.5599 121.8970 56.4467 41.2798 172.8813 88 C 4.7310 9.0766 118.3704 54.4146 42.6842 172.1944 89 Q 4.9202 8.4485 119.6878 54.8170 32.3009 173.0526 90 Q 5.0841 8.4782 123.5868 54.1293 31.2950 175.4009 91 W 5.1416 8.1475 114.5740 56.0616 29.7029 175.9939 92 S 4.0296 7.6517 113.1758 60.0608 62.9069 174.0469 93 S 4.6447 8.0135 116.9577 56.7369 66.6484 172.1215 94 N 5.2063 8.4773 121.1837 50.7322 40.5144 172.6852 95 P 4.3953 0.0000 0.0000 62.3428 32.4890 175.4245 96 P 4.9599 0.0000 0.0000 60.7196 30.3367 176.0193 97 T 4.0305 7.5177 111.6626 62.9180 69.5905 173.9191 98 F 5.1049 8.6420 121.1014 55.7484 41.2631 175.9716 99 G 3.9881 8.6989 112.7617 44.7929 0.0000 173.7307 100 A 4.2926 8.4941 120.6553 52.7272 18.9469 178.6891 101 G 3.6964 8.6581 100.8861 45.2694 0.0000 172.9197 102 T 4.6727 8.4844 115.8785 61.3848 71.6734 173.3156 103 K 4.4967 9.1280 129.6955 55.3296 33.6528 174.9543 104 L 5.0740 9.3941 131.2988 53.6951 43.8485 175.0794 105 E 5.2095 9.1477 125.5145 54.6424 33.2858 175.0430 106 V 4.8126 8.6692 121.6445 61.5596 33.0315 175.9122 107 K 4.9996 8.6532 126.2785 55.8387 33.1316 176.0688 108 R 4.1930 7.3397 116.4502 54.9184 31.6176 174.3340 109 A 4.1129 8.3006 121.5785 52.1635 18.8176 177.2559 110 D 5.0747 8.7295 121.4136 55.4259 42.0622 176.4328 111 A 4.7176 9.6417 122.8641 50.5202 22.6115 175.8836 112 A 4.7440 9.0965 125.0688 50.9860 19.2736 175.3436 113 P 4.6631 0.0000 0.0000 62.9988 32.9432 176.0037 114 T 4.4240 8.6901 119.0324 62.6045 69.5447 174.0952 115 V 4.6621 8.3071 126.8504 62.1493 33.2016 175.2999 116 S 4.7170 8.8799 121.4388 57.1561 67.6861 172.8669 117 I 5.0855 7.9825 122.7915 59.2290 40.9656 174.3047 118 F 4.8476 9.4414 126.7652 55.1056 42.2149 173.0451 119 P 4.5335 0.0000 0.0000 61.3882 32.1289 174.2635 120 P 4.4408 0.0000 0.0000 62.7347 31.8865 176.2045 121 S 4.5506 8.5697 116.0050 57.2669 64.3533 175.1195 122 S 4.1363 8.6872 116.2936 61.4841 62.4711 176.1472 123 E 4.2184 8.2198 119.3093 59.0956 29.2053 177.9650 124 Q 3.6953 7.9642 119.4616 59.5711 28.7264 178.7769 125 L 4.1383 7.4775 117.6540 57.4196 41.6641 178.9787 126 T 4.1279 8.4988 115.9333 65.4510 68.5730 175.5082 127 S 4.5513 9.1312 113.9931 58.2776 63.9420 173.9527 128 G 3.6205 7.4070 114.8506 44.9568 0.0000 172.8562 129 G 4.1575 7.5451 107.6995 43.2852 0.0000 171.6283 130 A 4.5778 8.2184 120.6854 50.2848 21.6403 175.5315 131 S 4.9835 8.8400 118.3615 55.6870 65.9753 173.7039 132 V 4.4033 8.2520 125.3892 61.4580 33.1277 174.2881 133 V 4.8144 8.2571 128.4107 61.3692 34.1096 173.6338 134 C 5.9811 8.7989 126.8632 54.0355 46.1087 172.3633 135 F 5.4438 8.7677 125.5656 56.5455 40.6655 174.9460 136 L 5.2593 9.4352 124.5495 53.2616 43.4497 174.8548 137 N 5.6986 9.2747 121.5629 51.1763 41.4155 174.0698 138 N 5.0669 8.9557 117.3753 53.2939 35.8427 173.4266 139 F 5.4267 8.5166 114.3569 55.2005 42.2675 175.1115 140 Y 5.2273 9.0569 121.4508 55.5033 42.4559 173.5379 141 P 3.6012 0.0000 0.0000 61.9610 32.6098 175.7593 142 K 4.0419 8.0977 117.0169 58.0809 32.9818 176.5916 143 D 4.4313 7.7855 120.7290 54.4453 40.9671 175.1767 144 I 4.7342 8.0140 123.1761 59.8386 41.3473 173.2494 145 N 5.1072 8.9851 125.3413 51.6379 41.6460 173.6739 146 V 4.7970 8.5732 117.0223 59.6485 33.8628 175.3216 147 K 4.7138 9.4367 125.9249 54.4232 35.9082 174.8066 148 W 4.8006 9.0038 126.1046 54.6507 30.6312 177.0626 149 K 4.2726 8.5431 129.9986 54.8152 28.7946 176.3681 *157 N 4.5117 7.7979 121.0948 55.7294 39.6250 176.3403 158 G 3.6902 8.8086 113.5455 46.8112 0.0000 171.6156 159 V 4.8577 7.3691 118.9647 60.3568 33.0332 174.8903 160 L 4.6821 8.1948 127.6501 53.1202 44.1111 175.1473 161 N 5.1431 8.6016 121.2086 51.6829 40.9591 174.4868 162 S 4.3082 8.1327 115.5922 56.4081 66.1646 172.7759 163 W 5.4943 9.1023 125.3794 55.1884 32.3403 174.6901 164 T 4.8219 8.4296 111.5870 60.0402 70.7483 174.0596 165 D 4.7623 8.6200 122.6108 53.3454 41.8580 176.1070 166 Q 3.5263 8.6636 121.2610 56.3155 29.4156 176.0793 167 D 4.3753 8.5802 125.3998 54.3875 41.7093 177.3325 168 S 4.2522 8.5883 120.2290 60.2710 63.7271 175.1136 169 K 4.2766 8.2623 119.6369 57.5413 32.7945 176.7590 170 D 4.7103 8.6010 114.4791 52.2300 40.0645 176.1929 171 S 3.6450 7.7389 114.3403 59.8660 60.8487 171.4314 172 T 4.4458 7.8589 111.5405 60.6872 71.5261 172.5646 173 Y 4.9289 8.2961 118.0327 56.2418 41.7194 175.4669 174 S 5.4513 8.6441 116.8036 57.2504 67.5850 172.7521 175 M 5.4214 9.6497 121.3268 54.0579 36.3166 173.8292 176 S 5.2013 8.8973 118.5809 56.6355 66.2711 172.6656 177 S 5.2585 8.7651 118.2787 56.7710 65.3740 172.7226 178 T 4.8484 8.3953 121.0609 62.6894 72.5601 171.5838 179 L 4.1818 8.0407 126.4574 54.7674 43.0709 178.4493 *193 T 4.1608 8.9573 111.4620 63.4151 70.6577 173.0059 194 C 4.3728 8.4304 125.6112 54.5257 43.6698 172.1355 195 E 4.7074 9.2598 127.5372 54.1533 32.2484 174.1137 196 A 5.1453 8.4500 127.8783 50.3392 22.3388 174.7628 197 T 4.8097 8.8509 119.2081 61.9646 71.3891 172.9339 198 H 5.2215 8.5579 125.3823 53.8661 33.2935 174.1254 199 K 3.8812 8.7572 123.7210 59.6882 32.3984 177.7650 200 T 4.1025 7.9886 109.0171 63.0975 68.9468 173.4636 201 S 4.6911 7.7390 114.6926 58.0123 65.6426 175.1278 202 T 4.1502 8.5704 115.1498 62.9181 69.3539 174.8369 203 S 4.6695 7.7684 118.2480 55.7443 64.3846 171.8921 204 P 4.3947 0.0000 0.0000 62.6660 32.2038 175.9597 205 I 3.9927 8.6690 119.6576 61.1788 37.9422 175.3142 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 E 8.44 4.28 0.00 1.95 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 2.19 2.34 0.00 2 L 8.29 3.93 0.00 1.72 1.58 0.91 0.51 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 3 V 9.13 4.29 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 1.06 0.00 0.00 1.01 0.00 0.00 4 M 8.60 5.13 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 5 T 8.88 4.57 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 6 Q 8.77 5.38 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 7 T 8.80 4.89 4.28 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 1.25 0.00 0.00 8 P 0.00 4.68 0.00 2.09 2.03 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 9 A 8.58 4.43 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 10 I 7.54 5.17 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.90 0.00 0.00 11 M 9.02 4.86 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 12 S 8.69 5.40 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.74 4.96 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 14 S 9.24 4.59 0.00 3.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.53 0.00 2.02 1.97 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 16 G 9.12 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 4.17 0.00 2.15 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 2.27 2.24 0.00 18 K 8.49 4.73 0.00 1.85 1.67 0.00 1.58 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.20 7.81 19 V 8.41 4.33 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 0.88 0.00 0.00 0.86 0.00 0.00 20 T 8.34 5.01 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 21 M 8.79 4.80 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 22 T 9.27 5.42 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 1.35 0.00 0.00 23 C 9.54 5.39 0.00 3.05 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 24 S 9.06 5.44 0.00 4.00 3.73 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 25 A 9.19 5.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.98 4.37 0.00 3.89 4.03 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 27 S 7.55 4.41 0.00 3.91 3.70 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 *29 S 8.42 4.51 0.00 4.04 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 30 V 8.32 4.44 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 0.74 0.00 0.00 0.91 0.00 0.00 31 S 8.36 4.12 0.00 3.79 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 32 S 6.82 4.70 0.00 3.79 3.29 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 33 V 7.83 4.63 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 0.00 0.00 0.41 0.00 0.00 0.49 0.00 0.00 34 H 9.29 5.41 0.00 3.07 2.87 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 9.28 5.32 0.00 3.36 3.35 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 36 Y 9.94 5.39 0.00 3.16 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 37 Q 9.28 4.52 0.00 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.00 38 Q 8.28 4.64 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 39 K 8.18 4.62 0.00 1.80 1.63 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.27 1.17 7.81 40 S 8.43 4.26 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.34 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 42 T 7.46 4.67 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 1.19 0.00 0.00 43 S 8.23 4.48 0.00 3.85 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.53 0.00 1.98 2.01 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 120 P 0.00 4.44 0.00 1.94 2.04 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 121 S 8.57 4.55 0.00 4.02 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 0.00 122 S 8.69 4.14 0.00 3.86 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 0.00 123 E 8.22 4.22 0.00 2.10 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 2.37 2.42 0.00 124 Q 7.96 3.70 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 125 L 7.48 4.14 0.00 1.69 1.72 0.93 0.87 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 0.00 126 T 8.50 4.13 4.36 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 1.21 0.00 0.00 127 S 9.13 4.55 0.00 3.88 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 0.00 128 G 7.41 3.62 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 0.00 0.00 0.00 129 G 7.55 4.16 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 0.00 130 A 8.22 4.58 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 0.00 131 S 8.84 4.98 0.00 3.85 3.70 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 0.00 132 V 8.25 4.40 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 1.30 0.00 0.00 0.96 0.00 0.00 133 V 8.26 4.81 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 0.27 0.00 0.00 0.84 0.00 0.00 134 C 8.80 5.98 0.00 2.80 2.83 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 0.00 0.00 0.00 135 F 8.77 5.44 0.00 3.23 3.14 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 0.00 136 L 9.44 5.26 0.00 1.76 1.57 1.03 0.25 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 0.00 137 N 9.27 5.70 0.00 2.70 2.76 0.00 0.00 6.91 7.77 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 0.00 138 N 8.96 5.07 0.00 2.89 2.86 0.00 0.00 7.05 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 0.00 139 F 8.52 5.43 0.00 2.98 3.15 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 0.00 140 Y 9.06 5.23 0.00 3.08 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 0.00 141 P 0.00 3.60 0.00 1.83 1.64 0.00 3.87 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.84 0.00 142 K 8.10 4.04 0.00 1.09 0.74 0.00 1.24 0.00 0.00 1.06 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.91 1.12 7.81 143 D 7.79 4.43 0.00 2.60 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 0.00 144 I 8.01 4.73 1.70 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 1.17 0.00 0.00 145 N 8.99 5.11 0.00 2.73 2.67 0.00 0.00 6.86 7.60 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 0.00 146 V 8.57 4.80 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 0.66 0.00 0.00 1.08 0.00 0.00 147 K 9.44 4.71 0.00 1.74 1.53 0.00 1.49 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.48 7.81 148 W 9.00 4.80 0.00 3.16 3.17 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 0.00 149 K 8.54 4.27 0.00 1.57 1.78 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 *157 N 7.80 4.51 0.00 2.69 2.62 0.00 0.00 7.33 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 0.00 158 G 8.81 3.69 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 0.00 159 V 7.37 4.86 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 0.83 0.00 0.00 0.50 0.00 0.00 160 L 8.19 4.68 0.00 1.51 1.46 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 161 N 8.60 5.14 0.00 2.14 1.90 0.00 0.00 6.85 7.57 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 0.00 162 S 8.13 4.31 0.00 3.70 3.49 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 0.00 163 W 9.10 5.49 0.00 3.37 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 8.43 4.82 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 1.27 0.00 0.00 165 D 8.62 4.76 0.00 2.73 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 0.00 166 Q 8.66 3.53 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.91 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 167 D 8.58 4.38 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 0.00 168 S 8.59 4.25 0.00 3.99 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 0.00 169 K 8.26 4.28 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.38 7.81 170 D 8.60 4.71 0.00 2.62 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 0.00 171 S 7.74 3.65 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 7.86 4.45 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 173 Y 8.30 4.93 0.00 2.17 2.48 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 0.00 174 S 8.64 5.45 0.00 3.76 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 0.00 175 M 9.65 5.42 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.39 0.00 176 S 8.90 5.20 0.00 3.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 S 8.77 5.26 0.00 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 8.40 4.85 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 179 L 8.04 4.18 0.00 0.27 0.33 0.61 0.59 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 *193 T 8.96 4.16 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 194 C 8.43 4.37 0.00 2.18 2.57 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 0.00 195 E 9.26 4.71 0.00 1.89 1.72 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 2.11 2.14 0.00 196 A 8.45 5.15 1.07 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 0.00 0.00 0.00 0.00 0.00 197 T 8.85 4.81 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 198 H 8.56 5.22 0.00 2.98 3.01 0.00 5.69 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 K 8.76 3.88 0.00 1.85 1.86 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.40 7.81 200 T 7.99 4.10 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 1.39 0.00 0.00 201 S 7.74 4.69 0.00 3.81 3.71 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 0.00 202 T 8.57 4.15 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 0.00 203 S 7.77 4.67 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 P 0.00 4.39 0.00 1.99 2.04 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 205 I 8.67 3.99 1.84 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 1.12 1.44 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.