NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3036 8.3149 122.1407 54.5294 32.9094 175.0714 3 Q 4.4412 8.4647 123.7110 52.7094 30.5065 173.4270 4 S 4.7231 9.1238 115.3285 57.0664 65.7558 173.8345 5 H 4.8577 8.6108 122.5175 55.9227 28.7698 177.1124 6 F 4.2686 8.1257 124.2557 61.7364 39.2938 177.1979 7 F 3.6225 8.4165 116.5271 59.9048 38.5518 177.2730 8 A 4.0129 8.1631 119.5422 55.7880 18.4017 178.9825 9 H 4.2536 8.3297 114.4679 58.9359 28.9123 178.1013 10 L 3.8500 7.5933 121.1031 57.5068 41.1039 179.4833 11 S 4.1944 8.3483 113.8801 61.2678 62.9699 176.0657 12 R 4.2133 7.8209 120.0018 56.6408 30.1256 177.9061 13 L 3.9592 7.7026 120.2041 57.8433 41.4725 179.4823 14 K 4.3299 7.9116 115.8001 59.2164 32.9165 178.0421 15 L 4.0823 7.7051 119.0693 56.7006 41.9473 176.7319 16 I 4.2785 7.5470 120.7403 60.2518 38.1727 174.9298 17 N 5.2401 8.7793 124.7085 52.3640 40.1682 174.7367 18 R 4.6911 8.8704 120.9102 52.6810 32.9721 175.6699 19 W 3.6638 7.9934 117.2038 57.5205 26.4595 174.7383 20 P 4.4646 0.0000 0.0000 64.9560 31.4625 177.3851 21 L 4.3827 7.8479 117.2202 55.2940 42.1281 175.9754 22 M 4.8828 7.3401 116.8682 52.6525 35.2793 175.4099 23 R 4.0027 8.9088 122.0480 56.7360 30.6303 175.6672 24 N 5.2632 8.5497 122.4319 51.2931 40.7685 175.0808 25 V 3.7135 9.1281 123.7312 65.2332 31.8670 176.4934 26 R 4.5441 7.7518 118.6200 54.5237 32.7235 174.1180 27 T 4.2601 8.5750 122.3313 63.3991 69.3736 173.5504 28 E 4.8230 8.9861 127.9720 55.1844 31.7610 174.8929 29 N 5.3539 9.0351 123.9282 51.2322 40.2685 176.0755 30 V 3.7006 8.6201 118.1086 65.7076 31.4066 178.0818 31 S 4.0520 8.0979 112.8259 61.3779 62.4087 175.5571 32 E 3.9816 8.6553 121.4372 59.7392 29.1398 178.8899 33 H 4.2273 8.4175 118.0522 59.5761 29.9954 177.5771 34 S 4.1396 8.2498 116.9432 61.4125 62.6201 176.4155 35 L 3.9579 7.9044 123.1060 58.1774 41.7307 178.8726 36 Q 4.0104 8.1068 119.6584 58.9955 28.9336 178.2025 37 V 3.4945 8.2122 119.6899 65.7362 31.5182 177.8996 38 A 3.9515 8.1069 120.6003 55.4138 18.2184 179.6077 39 M 4.0289 8.0698 117.2402 58.3807 31.9611 179.1996 40 V 3.4202 8.0823 118.4263 66.0062 31.8541 177.8875 41 A 3.9038 8.4597 120.9229 55.2969 18.1401 179.0044 42 H 4.0382 8.4081 116.4659 59.4191 29.9081 177.3171 43 A 4.0053 8.0206 122.4764 55.2273 18.2224 179.4777 44 L 3.9958 8.2605 117.5491 57.9679 41.5893 179.7338 45 A 3.9619 7.9624 120.1857 55.1520 18.3186 179.6158 46 A 3.8913 8.0992 119.3792 55.1680 18.4040 179.9903 47 I 3.4646 8.0157 118.6335 64.1556 37.1810 178.3100 48 K 4.0533 8.2094 120.5060 59.7676 31.8153 178.2352 49 N 4.4088 8.1238 115.3615 56.4863 38.6219 177.0658 50 R 3.9383 8.0931 118.6350 58.9107 30.3410 177.8061 51 K 4.1754 8.0728 114.9886 55.7455 33.6185 176.7758 52 F 4.9915 8.0816 117.2729 57.1317 39.9026 175.9675 53 G 3.9393 8.6456 107.4980 45.3552 0.0000 174.7480 54 G 3.8840 7.6753 107.6941 45.6418 0.0000 172.9390 55 N 5.0214 8.2000 116.9004 52.7800 39.3819 174.6236 56 V 4.1324 7.8369 109.6137 59.7794 33.4845 177.1530 57 N 4.5377 8.4203 121.0779 52.8308 38.6438 175.5137 58 A 4.0240 8.3701 130.7402 55.0042 18.7605 178.7695 59 E 3.9483 8.2169 116.7052 59.4950 29.5406 179.1708 60 R 3.8635 8.7553 119.1819 59.7009 30.0009 178.6591 61 I 3.5886 7.8148 119.2143 63.9631 37.0310 178.2130 62 A 3.9674 8.0814 121.7597 55.1619 18.1177 179.3360 63 L 4.0051 7.7936 118.4811 58.4022 41.9233 179.1290 64 L 3.9841 7.9323 117.7105 57.8323 41.6584 179.0401 65 A 4.2028 8.2934 120.8221 55.4978 18.0185 179.5818 66 M 3.9913 8.0482 116.5080 57.9898 32.3320 177.5225 67 Y 4.5598 7.7726 114.7261 58.1079 38.4411 177.2050 68 H 4.6594 8.1323 118.5709 57.2561 28.7850 175.6899 69 D 4.8788 7.5120 120.0181 53.6410 41.6810 177.6716 70 A 4.0761 8.1883 125.2089 55.0963 18.2783 180.3238 71 S 4.1997 8.1067 111.4811 60.4936 63.2141 175.9577 72 A 4.1938 7.9519 126.5184 54.6867 17.7883 179.6963 73 V 3.9115 7.5019 109.6739 63.5533 31.5951 177.6150 74 L 4.4457 7.7619 117.9371 55.8003 42.6264 177.8306 75 T 4.3840 7.8587 108.3682 60.2296 69.8443 175.8350 76 G 3.9965 8.0889 106.1158 44.8988 0.0000 172.1839 77 D 4.4943 8.2011 117.7916 53.4318 41.9261 174.7301 78 L 4.7093 8.0686 126.7390 51.9750 44.1816 174.2607 79 P 4.1347 0.0000 0.0000 62.6383 31.6941 176.5138 80 T 3.8132 8.2860 112.8824 64.2448 68.9743 173.5976 81 P 4.3601 0.0000 0.0000 62.0890 28.8919 175.2426 *90 A 4.2486 7.6209 125.4308 52.5743 20.9180 179.6390 91 Q 4.0922 8.3603 119.0794 58.9156 28.8908 180.4159 92 E 4.1085 8.1049 119.7564 59.5340 29.7941 177.9561 93 Y 3.8013 8.1473 119.0524 60.6549 39.1246 177.5404 94 K 4.0405 8.1957 120.2327 59.8566 32.3578 178.2303 95 A 3.9355 7.7386 120.6264 55.0143 18.2157 179.4503 96 I 3.4843 7.5734 117.1877 64.1572 37.9373 177.8576 97 E 3.7503 8.0841 119.8265 59.4746 29.2778 179.6391 98 K 3.9514 7.7204 117.8375 59.2061 31.9577 179.6433 99 I 3.6935 7.5333 119.8395 64.1109 37.0395 178.2159 100 A 3.9385 8.2050 121.9975 55.2696 18.2384 179.5220 101 Q 3.9580 8.3193 116.9372 59.3467 28.8289 179.2105 102 Q 3.9745 8.0403 120.3684 59.0733 28.8700 178.2757 103 K 3.9679 8.1957 119.1086 59.2211 32.3848 178.7831 104 L 4.1502 8.0733 120.6536 58.2042 42.1525 178.9488 105 V 3.4929 7.8094 118.1832 66.3663 31.1784 177.5279 106 D 4.4862 7.7643 116.4031 56.6969 40.7195 178.0664 107 M 4.1899 7.6380 118.9356 56.7175 32.4459 177.2541 108 V 3.2568 6.6942 118.2403 61.6483 32.3737 173.9988 109 P 4.3388 0.0000 0.0000 62.6328 32.1905 176.8009 110 E 3.9124 8.9765 122.1122 59.5545 29.3650 179.0995 111 E 4.1043 8.2012 114.7732 58.1993 30.0142 177.5555 112 L 4.6262 7.8195 118.9745 54.8600 42.6819 178.1111 113 R 3.9535 8.0747 120.1102 59.1553 29.8076 177.5278 114 D 4.4381 7.9357 116.7901 55.2333 39.8041 178.0837 115 I 3.7001 7.6004 121.5234 64.1148 37.3578 177.4515 116 F 4.0087 7.8603 117.3215 59.0461 39.2391 177.5705 117 A 3.9886 8.1921 122.3225 54.8906 18.0871 177.5127 118 P 4.5745 0.0000 0.0000 64.1576 31.7177 176.8591 119 L 4.3946 7.6237 118.6638 56.8015 42.6282 177.7253 120 I 4.0529 7.8683 118.2078 63.3708 37.7321 175.7356 121 D 4.6109 8.3519 121.6127 53.2898 40.4339 176.3261 122 E 3.1685 8.9483 128.3036 57.8439 29.8418 178.2795 123 H 4.1754 8.2837 115.1852 59.3015 28.7675 176.2678 124 A 4.3016 7.9306 120.0515 53.3096 18.8884 177.0741 125 Y 4.4680 7.9063 115.2339 57.2335 38.5413 176.0492 126 S 4.4871 9.3432 120.5681 58.1726 65.0792 175.1822 127 D 4.4494 8.7917 124.0635 58.4080 40.5211 179.8040 128 E 4.0317 8.1096 118.0936 61.0766 29.9022 180.5923 129 E 4.1453 8.2692 119.7938 58.9618 29.4210 179.2192 130 K 4.0566 8.3385 119.7990 59.6913 32.3101 178.3974 131 S 4.0943 7.9888 113.1396 61.5719 62.2095 176.1444 132 L 3.9376 7.9097 121.2823 57.9911 41.4460 179.8764 133 V 3.6046 7.9242 118.0382 65.8336 31.4430 178.2595 134 K 4.0498 8.5315 118.8422 59.2568 31.8006 179.3393 135 Q 3.9217 8.6570 118.5594 58.8846 28.6700 178.6125 136 A 3.8109 8.1908 122.0432 55.1934 18.4064 179.1190 137 D 4.2488 8.1333 116.1473 57.5021 41.2502 178.3640 138 A 4.0637 8.0371 121.2108 55.0803 18.2982 179.5556 139 L 3.9749 8.0709 117.5601 58.2629 41.6554 179.4699 140 C 4.1116 8.5571 116.7682 62.8834 28.0545 176.1547 141 A 4.4085 8.3900 122.3075 55.4897 18.0322 179.0358 142 Y 4.2417 8.5513 118.4966 60.8680 38.7622 178.3750 143 L 3.6850 8.3105 120.4107 57.2861 41.6810 178.9880 144 K 3.6307 8.3079 120.0787 59.9007 31.9579 178.2614 145 C 3.7232 7.6946 116.4916 62.8984 27.9764 176.2907 146 L 3.8467 7.5643 120.2800 57.6796 41.1096 179.4797 147 E 3.9292 8.2883 118.7629 59.4337 29.3717 179.3052 148 E 3.7136 7.7711 118.5595 59.2089 29.3340 179.4563 149 L 4.0641 8.1375 119.2459 57.7137 41.4766 179.2791 150 A 3.9787 8.0486 119.7650 54.9269 18.2707 178.6271 151 A 4.3238 7.5725 116.6621 52.0680 18.3716 177.9589 152 G 3.6748 7.8902 106.1481 46.6188 0.0000 173.5389 153 N 4.7022 8.1806 119.2846 51.9668 39.1552 174.7453 154 N 4.7949 8.5631 122.7287 53.5235 38.9690 177.0813 155 E 4.0642 8.3039 118.6174 58.5682 29.8380 177.6481 156 F 4.2758 7.8171 116.3079 57.3201 39.8777 177.4306 157 L 3.9721 7.9348 123.8595 58.0120 41.8770 178.3463 158 L 3.9371 8.0888 119.1452 59.3750 40.0262 179.1767 159 A 4.1399 7.9663 121.4400 54.1164 18.4119 179.2735 160 K 3.9968 8.2582 118.2605 60.1680 31.8814 178.9008 161 T 4.0259 8.0535 118.3239 67.6208 68.4182 177.3916 162 R 4.0324 8.1543 122.2266 61.4468 29.3840 180.6233 163 L 4.2850 8.6835 120.3032 57.6341 41.7247 179.2495 164 E 3.7381 8.8731 118.7945 59.3895 29.3813 179.3860 165 A 3.9554 7.7181 119.7360 55.5346 18.5068 179.5756 166 T 3.8139 7.8012 114.2355 66.9861 68.3212 176.7315 167 L 3.9319 7.8359 119.5430 57.8657 41.7844 179.1153 168 E 4.0537 8.0834 117.9342 59.2954 29.1260 179.2046 169 A 4.0483 8.0136 120.0596 54.5697 18.4259 178.9173 170 R 4.4094 7.5292 113.7386 54.8691 30.8691 176.4514 171 R 3.8342 6.9103 119.3686 57.3770 30.5061 176.1646 172 S 4.6493 8.1575 117.8367 55.9694 67.5718 175.0760 173 Q 3.6630 8.2457 120.5557 58.8069 28.2114 178.8530 174 E 4.2291 7.9038 118.2837 59.5333 29.6927 178.7881 175 M 4.1579 8.0375 118.8924 58.4702 32.3509 177.7865 176 D 4.4065 8.2532 119.1454 57.6699 41.0138 178.0807 177 Y 4.0503 8.4367 120.1778 60.7625 38.7205 178.0647 178 F 4.2444 8.6280 121.3522 61.8139 39.1721 176.9888 179 M 4.2262 9.0915 118.8340 58.4995 31.5123 178.3938 180 E 3.7637 8.2072 118.5621 58.2304 29.8282 177.7693 181 I 3.9201 7.0595 117.8272 61.9067 38.7130 176.9791 182 F 4.8825 7.6637 116.1150 58.1723 40.1217 177.8588 183 V 4.0321 7.3265 117.9688 65.0878 31.2710 176.1688 184 P 4.2816 0.0000 0.0000 65.5087 31.3799 178.2943 185 S 4.0984 8.0224 112.6091 60.5067 62.9507 175.1589 186 F 4.1692 8.3992 119.0855 58.4242 39.1875 175.4148 187 H 4.5488 7.8554 121.7673 55.9118 29.0094 174.6470 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 K 8.31 4.30 0.00 1.79 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 3 Q 8.46 4.44 0.00 2.13 2.07 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 2.32 2.42 0.00 4 S 9.12 4.72 0.00 3.80 3.76 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 5 H 8.61 4.86 0.00 3.35 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.13 4.27 0.00 3.00 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 7 F 8.42 3.62 0.00 3.14 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.16 4.01 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 9 H 8.33 4.25 0.00 3.28 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.59 3.85 0.00 1.28 1.42 0.57 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.35 4.19 0.00 3.97 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 0.00 12 R 7.82 4.21 0.00 2.02 1.99 0.00 3.11 0.00 0.00 3.17 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 13 L 7.70 3.96 0.00 1.79 1.71 0.80 0.32 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 14 K 7.91 4.33 0.00 1.87 1.94 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.46 7.81 15 L 7.71 4.08 0.00 1.82 1.78 0.92 0.83 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 16 I 7.55 4.28 1.87 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 1.40 0.89 0.91 0.00 0.00 17 N 8.78 5.24 0.00 2.63 2.79 0.00 0.00 7.04 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 18 R 8.87 4.69 0.00 1.92 1.86 0.00 3.22 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 19 W 7.99 3.66 0.00 3.62 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 20 P 0.00 4.46 0.00 2.18 2.20 0.00 3.71 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 1.96 1.95 0.00 21 L 7.85 4.38 0.00 1.65 1.73 0.88 0.81 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 22 M 7.34 4.88 0.00 1.76 1.69 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 23 R 8.91 4.00 0.00 1.79 2.05 0.00 3.25 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 24 N 8.55 5.26 0.00 2.81 2.81 0.00 0.00 7.05 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 25 V 9.13 3.71 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 0.68 0.00 0.00 0.90 0.00 0.00 26 R 7.75 4.54 0.00 1.65 1.67 0.00 3.29 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 27 T 8.57 4.26 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 1.32 0.00 0.00 28 E 8.99 4.82 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 29 N 9.04 5.35 0.00 3.05 3.11 0.00 0.00 6.39 7.16 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 30 V 8.62 3.70 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 0.99 0.00 0.00 0.99 0.00 0.00 31 S 8.10 4.05 0.00 3.91 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 32 E 8.66 3.98 0.00 2.22 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 2.36 2.56 0.00 33 H 8.42 4.23 0.00 3.32 3.60 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.25 4.14 0.00 4.06 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 35 L 7.90 3.96 0.00 1.78 1.67 0.92 0.63 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 36 Q 8.11 4.01 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 37 V 8.21 3.49 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 0.78 0.00 0.00 0.79 0.00 0.00 38 A 8.11 3.95 1.46 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 0.00 0.00 39 M 8.07 4.03 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 40 V 8.08 3.42 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 0.55 0.00 0.00 0.91 0.00 0.00 41 A 8.46 3.90 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 42 H 8.41 4.04 0.00 3.23 3.54 0.00 5.60 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 43 A 8.02 4.01 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 4.00 0.00 1.80 1.74 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.96 3.96 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 46 A 8.10 3.89 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 47 I 8.02 3.46 2.06 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.63 0.00 0.00 48 K 8.21 4.05 0.00 2.01 2.03 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.61 7.81 49 N 8.12 4.41 0.00 2.89 2.85 0.00 0.00 7.09 7.87 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 50 R 8.09 3.94 0.00 1.70 1.95 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 51 K 8.07 4.18 0.00 0.79 0.74 0.00 1.40 0.00 0.00 1.13 0.00 0.00 3.16 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.03 1.06 7.81 52 F 8.08 4.99 0.00 2.96 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 53 G 8.65 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 54 G 7.68 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 55 N 8.20 5.02 0.00 2.63 2.72 0.00 0.00 6.98 7.71 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 56 V 7.84 4.13 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 0.71 0.00 0.00 0.95 0.00 0.00 57 N 8.42 4.54 0.00 2.74 2.71 0.00 0.00 6.95 7.90 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 58 A 8.37 4.02 1.31 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 59 E 8.22 3.95 0.00 2.17 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 2.40 2.40 0.00 60 R 8.76 3.86 0.00 1.84 2.19 0.00 3.06 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 1.56 1.63 0.00 61 I 7.81 3.59 1.97 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 1.37 0.41 0.88 0.00 0.00 62 A 8.08 3.97 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 63 L 7.79 4.01 0.00 1.84 1.89 1.16 0.57 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 64 L 7.93 3.98 0.00 1.34 0.98 0.30 0.81 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 65 A 8.29 4.20 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 66 M 8.05 3.99 0.00 1.75 2.32 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 67 Y 7.77 4.56 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.13 4.66 0.00 3.47 3.81 0.00 5.49 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.51 4.88 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.19 4.08 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 71 S 8.11 4.20 0.00 4.03 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 72 A 7.95 4.19 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 73 V 7.50 3.91 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 0.73 0.00 0.00 1.01 0.00 0.00 74 L 7.76 4.45 0.00 1.73 1.68 0.93 0.52 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 75 T 7.86 4.38 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 1.17 0.00 0.00 76 G 8.09 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 0.00 0.00 0.00 77 D 8.20 4.49 0.00 2.75 2.50 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 78 L 8.07 4.71 0.00 1.33 1.00 -0.16 0.56 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 79 P 0.00 4.13 0.00 2.08 1.90 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 80 T 8.29 3.81 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 1.08 0.00 0.00 81 P 0.00 4.36 0.00 2.01 2.03 0.00 3.59 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 *90 A 7.62 4.25 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.36 4.09 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.86 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 92 E 8.10 4.11 0.00 2.09 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 0.00 2.39 2.43 0.00 93 Y 8.15 3.80 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.20 4.04 0.00 2.00 1.93 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.38 7.81 95 A 7.74 3.94 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 96 I 7.57 3.48 1.65 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 1.27 1.44 -0.05 0.00 0.00 97 E 8.08 3.75 0.00 2.05 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 2.25 1.91 0.00 98 K 7.72 3.95 0.00 1.99 1.78 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 99 I 7.53 3.69 1.92 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 1.64 0.91 0.87 0.00 0.00 100 A 8.20 3.94 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 0.00 101 Q 8.32 3.96 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 102 Q 8.04 3.97 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 103 K 8.20 3.97 0.00 1.88 1.84 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.55 7.81 104 L 8.07 4.15 0.00 2.10 1.83 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.81 3.49 2.22 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 0.94 0.00 0.00 0.95 0.00 0.00 106 D 7.76 4.49 0.00 2.84 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 0.00 107 M 7.64 4.19 0.00 2.15 2.45 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 108 V 6.69 3.26 1.90 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 0.53 0.00 0.00 -0.44 0.00 0.00 109 P 0.00 4.34 0.00 2.21 1.96 0.00 3.55 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 2.12 2.08 0.00 110 E 8.98 3.91 0.00 2.01 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 2.37 2.36 0.00 111 E 8.20 4.10 0.00 2.17 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 2.29 2.42 0.00 112 L 7.82 4.63 0.00 1.87 1.92 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.07 3.95 0.00 1.97 1.91 0.00 3.06 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 114 D 7.94 4.44 0.00 2.84 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 0.00 115 I 7.60 3.70 1.58 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 1.64 0.78 0.41 0.00 0.00 116 F 7.86 4.01 0.00 2.90 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 0.00 117 A 8.19 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 0.00 118 P 0.00 4.57 0.00 2.16 2.18 0.00 3.62 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 2.04 2.00 0.00 119 L 7.62 4.39 0.00 1.56 1.60 0.56 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.87 4.05 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.39 1.05 0.00 0.00 121 D 8.35 4.61 0.00 2.69 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 0.00 122 E 8.95 3.17 0.00 1.63 1.58 0.00 0.00 0.00 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 1.47 0.00 123 H 8.28 4.18 0.00 3.31 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.93 4.30 1.48 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 0.00 0.00 125 Y 7.91 4.47 0.00 3.00 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 0.00 126 S 9.34 4.49 0.00 4.02 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 0.00 127 D 8.79 4.45 0.00 2.80 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 0.00 128 E 8.11 4.03 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 129 E 8.27 4.15 0.00 2.25 1.90 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 2.26 2.29 0.00 130 K 8.34 4.06 0.00 2.15 2.05 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.53 7.81 131 S 7.99 4.09 0.00 4.06 4.04 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 0.00 132 L 7.91 3.94 0.00 1.87 1.68 0.96 0.73 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 0.00 133 V 7.92 3.60 2.22 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 1.10 0.00 0.00 0.92 0.00 0.00 134 K 8.53 4.05 0.00 1.91 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.68 7.81 135 Q 8.66 3.92 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 136 A 8.19 3.81 1.33 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 0.00 137 D 8.13 4.25 0.00 2.91 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 0.00 138 A 8.04 4.06 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 0.00 139 L 8.07 3.97 0.00 1.84 1.65 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 140 C 8.56 4.11 0.00 3.18 3.10 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 0.00 0.00 0.00 141 A 8.39 4.41 1.71 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 0.00 0.00 142 Y 8.55 4.24 0.00 3.10 3.24 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 0.00 143 L 8.31 3.69 0.00 1.74 1.35 0.71 -0.04 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 0.00 144 K 8.31 3.63 0.00 1.85 2.00 0.00 1.11 0.00 0.00 1.49 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 0.62 7.81 145 C 7.69 3.72 0.00 3.06 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 0.00 146 L 7.56 3.85 0.00 1.75 1.67 0.71 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.29 3.93 0.00 2.02 1.90 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 2.39 2.60 0.00 148 E 7.77 3.71 0.00 1.34 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.47 0.00 149 L 8.14 4.06 0.00 1.59 1.68 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.05 3.98 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 0.00 151 A 7.57 4.32 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 0.00 152 G 7.89 3.67 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 0.00 0.00 0.00 153 N 8.18 4.70 0.00 2.80 2.86 0.00 0.00 7.21 6.25 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 0.00 154 N 8.56 4.79 0.00 2.81 2.83 0.00 0.00 7.09 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 0.00 155 E 8.30 4.06 0.00 2.22 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 156 F 7.82 4.28 0.00 3.09 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 0.00 157 L 7.93 3.97 0.00 1.89 1.71 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.09 3.94 0.00 1.92 1.94 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.97 4.14 1.57 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 0.00 0.00 160 K 8.26 4.00 0.00 1.98 2.04 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.36 7.81 161 T 8.05 4.03 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 1.25 0.00 0.00 162 R 8.15 4.03 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 163 L 8.68 4.28 0.00 2.12 1.90 1.28 1.10 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 0.00 164 E 8.87 3.74 0.00 2.18 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 2.29 2.58 0.00 165 A 7.72 3.96 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 0.00 166 T 7.80 3.81 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 167 L 7.84 3.93 0.00 1.57 1.60 0.26 1.12 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 0.00 168 E 8.08 4.05 0.00 1.99 1.98 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 2.47 2.45 0.00 169 A 8.01 4.05 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 0.00 170 R 7.53 4.41 0.00 1.76 1.93 0.00 3.19 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 171 R 6.91 3.83 0.00 1.76 1.85 0.00 3.23 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 172 S 8.16 4.65 0.00 4.08 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 0.00 173 Q 8.25 3.66 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.94 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 174 E 7.90 4.23 0.00 2.38 2.42 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 2.40 2.49 0.00 175 M 8.04 4.16 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 176 D 8.25 4.41 0.00 2.88 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 0.00 177 Y 8.44 4.05 0.00 3.33 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 0.00 178 F 8.63 4.24 0.00 3.56 3.37 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 0.00 179 M 9.09 4.23 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.97 0.00 180 E 8.21 3.76 0.00 2.30 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 2.32 2.22 0.00 181 I 7.06 3.92 1.03 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 -0.00 0.00 0.00 182 F 7.66 4.88 0.00 2.15 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 0.00 183 V 7.33 4.03 2.41 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 1.30 0.00 0.00 1.15 0.00 0.00 184 P 0.00 4.28 0.00 2.20 2.09 0.00 3.62 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 2.21 2.13 0.00 185 S 8.02 4.10 0.00 3.77 3.76 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 F 8.40 4.17 0.00 3.13 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 H 7.86 4.55 0.00 3.16 3.63 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.