NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3867 8.0333 117.3480 63.5617 70.5894 173.1898 3 L 4.0141 8.3779 124.5043 53.3420 43.6545 174.5630 *4 H 4.8944 8.2151 116.8049 53.1219 31.5449 173.9749 5 K 4.1874 8.6722 125.4171 56.4929 31.8060 175.8151 6 E 4.4090 8.0682 116.0635 57.5097 30.6328 176.4057 7 R 4.8371 7.5202 113.8450 54.1757 29.3589 176.7621 8 R 4.4864 7.4940 118.1392 55.1364 30.3646 176.1408 9 I 3.3655 8.3924 124.6939 64.1595 37.8706 177.1978 10 G 3.5055 7.9242 105.8686 47.6340 0.0000 175.1493 11 R 3.8401 7.9234 121.3895 58.9522 30.0175 178.0926 12 L 3.8596 7.8713 118.5496 58.0367 41.7637 179.6665 13 S 4.0126 7.8091 113.8390 61.5500 62.5224 176.9141 14 V 3.6968 7.7766 121.4755 65.7896 31.2849 177.6842 15 L 3.8905 7.8779 118.8339 58.1453 41.2986 179.5527 16 L 3.9515 7.6360 118.5216 57.7923 42.0087 178.4898 17 L 4.0849 7.2682 119.5608 58.0581 42.1834 178.5707 18 L 4.0633 7.9012 117.4754 55.6508 41.8406 176.9965 19 N 4.5582 7.4711 119.4587 53.1492 39.2424 175.6062 20 E 4.0987 9.0350 119.8544 58.5274 30.7679 172.9982 21 A 4.7736 7.5996 126.1696 51.4315 20.3373 175.8183 *23 E 4.0222 8.7162 112.9657 57.1573 31.2019 173.4289 24 S 4.6848 8.3742 119.9837 56.4302 64.2281 171.4247 25 T 4.4613 8.0392 118.1210 63.7933 68.1556 175.9990 26 Q 4.2281 8.2242 128.4507 59.1208 28.3316 176.6535 27 V 3.8807 7.8198 120.1696 67.1245 31.5687 178.2622 28 E 4.0640 7.9807 119.2283 61.7158 29.3197 181.4865 29 E 4.2135 8.0930 117.8033 61.0174 30.1938 180.4632 30 L 4.5254 7.7673 119.5827 57.7561 41.7077 179.4698 31 E 4.5470 8.5745 122.2277 59.8559 29.3076 180.1858 32 R 4.0360 8.0353 119.6282 60.8545 30.1469 179.2228 33 D 5.1331 8.0262 117.9436 54.8825 41.1812 177.3482 34 G 3.9259 7.7693 105.4160 46.1424 0.0000 173.0459 35 W 5.4412 7.5418 119.0469 55.7820 34.2879 176.5969 36 K 4.7399 9.5995 129.2107 54.4273 32.7074 172.8539 37 V 4.9645 8.4525 124.1737 60.4027 34.9393 173.9998 38 C 5.0654 9.0953 126.0878 57.9279 35.5168 172.7065 39 L 4.8241 8.3685 122.7697 53.6728 45.3945 175.0374 40 G 3.6926 7.5914 112.1324 45.6757 0.0000 172.2698 41 K 5.1876 8.2391 122.4819 53.1452 35.5853 175.0786 42 V 4.5371 9.0562 123.6647 59.1454 35.0704 174.5711 43 G 4.3682 8.7807 110.6511 44.6531 0.0000 171.6853 44 S 4.7803 8.8422 119.8035 57.2155 66.5158 174.0561 45 M 4.3725 8.7567 121.4976 55.2872 32.8343 174.7089 46 D 5.0382 8.1544 118.9991 52.7789 43.2220 176.9936 47 A 3.9685 8.5086 126.5987 55.0990 18.3660 178.9925 48 H 4.2509 7.9762 113.5532 58.7218 28.6824 177.8704 49 K 4.0223 7.6501 121.3288 59.0763 31.6584 179.3490 50 V 3.6375 7.5137 118.3269 65.5262 31.4100 178.2855 51 I 3.6016 7.5062 119.1528 63.9992 37.1040 177.8490 52 A 4.0636 8.2014 121.4368 55.5279 18.3081 178.8801 53 A 3.8389 7.9521 118.3805 55.9976 18.3180 179.6003 54 I 2.6995 7.1854 116.5081 64.2744 37.1480 177.8623 55 E 3.8435 7.9848 119.5914 59.9026 29.3174 178.7800 56 T 3.8653 8.5036 115.3300 66.9108 68.6841 176.4517 57 A 4.1201 8.1417 122.3107 55.2889 18.3948 179.6992 58 S 4.2907 8.3510 113.0786 60.6538 62.5992 176.6017 59 K 4.1077 7.4228 120.6663 58.5479 32.4548 178.4072 60 K 4.1878 8.2502 119.4512 58.4198 32.2645 176.8938 61 S 4.3400 8.0969 116.1654 57.6148 63.2548 175.6281 62 G 4.1201 8.7456 119.8470 45.0923 0.0000 174.5578 63 V 3.7371 10.5550 121.2859 64.8209 31.7612 175.1514 64 I 4.6970 7.6238 110.1007 58.5934 40.5122 174.2554 65 Q 4.2949 8.3541 119.3461 55.2716 29.2662 176.6916 66 S 4.1881 8.8986 119.9514 61.1118 62.8823 174.5881 67 E 4.5032 7.9303 114.8026 55.3575 31.2221 178.4174 68 G 3.9794 9.2274 106.4276 44.5410 0.0000 171.7502 69 Y 4.6156 8.3897 114.4516 58.1387 41.9006 177.5751 70 R 3.7997 8.4355 121.4678 60.1257 29.6173 178.6509 71 E 4.0818 7.9303 117.1797 60.9443 30.0040 182.0181 72 S 4.3466 7.8657 115.5891 60.9061 62.6676 176.0985 73 H 3.9540 7.9443 121.3817 58.7744 29.8386 177.0527 74 A 3.8873 7.4605 121.2864 54.6628 18.0324 179.0979 75 L 4.1273 7.6762 118.8809 57.6809 42.1378 178.3325 76 Y 3.8930 7.5461 119.7934 61.0069 38.7758 177.6965 77 H 4.1569 8.0774 116.9287 58.3102 28.8603 177.8076 78 A 3.9699 7.5098 121.6917 55.3769 18.2838 179.6916 79 T 3.6863 8.0322 114.6035 66.9716 68.6610 176.5396 80 M 3.8249 7.9010 120.7266 58.6298 31.8536 178.8175 81 E 4.2363 8.4416 116.4047 58.6585 29.9598 178.6672 82 A 4.2281 7.7041 120.7250 54.3693 18.8028 178.9537 83 L 4.1498 7.8379 116.2622 56.7799 41.7448 179.0835 84 H 4.2955 7.8952 116.3045 58.7107 28.5264 177.8107 85 G 3.8396 8.0423 106.0463 47.5256 0.0000 175.6070 86 V 4.0988 7.7901 120.8911 65.4840 31.9714 177.6359 87 T 4.1205 8.4128 109.2028 61.4769 70.1426 174.0828 88 R 3.8920 9.2213 119.7073 55.3354 27.3075 173.9654 89 G 3.9905 7.4413 109.7998 44.7386 0.0000 171.7205 90 E 4.5128 7.7737 121.9382 53.8812 31.4362 177.0610 91 M 4.5443 8.3154 127.4279 54.8034 31.6369 175.6301 92 L 4.8957 7.4196 117.3084 52.9050 46.2452 175.0452 93 L 4.4585 8.1152 117.9894 55.0484 44.6537 178.7376 94 G 3.8245 6.9229 112.2719 49.1904 0.0000 175.7538 95 S 4.3006 8.0418 112.5450 59.9096 63.2621 174.5489 96 L 4.5894 8.0134 121.3470 54.1000 41.9681 175.8455 97 L 3.6670 7.7018 117.9371 55.8370 40.9680 173.9061 98 R 4.9352 7.6197 110.5695 54.8151 33.1828 174.2734 99 T 4.7828 9.2171 114.2176 60.5281 71.8039 172.6657 100 V 4.9207 8.5328 117.1928 59.3884 35.9284 175.4108 101 G 3.9286 9.1111 111.4203 44.6827 0.0000 171.7232 102 L 5.3901 9.1923 126.4150 52.3163 46.1280 175.7372 103 R 4.9463 9.3799 120.8707 54.5735 33.4017 174.0563 104 F 5.6161 9.2385 120.3421 55.0704 42.1466 173.5930 105 A 5.0485 8.9418 121.2278 50.4368 22.3361 175.0135 106 V 4.7882 8.6555 122.9209 61.2235 33.8353 174.0762 107 L 5.1451 8.7251 130.5686 53.2066 44.7119 174.7627 108 R 5.2191 10.0352 127.1548 53.9376 32.9312 175.0413 109 G 4.1111 8.9173 114.6920 46.2349 0.0000 170.4194 110 N 5.3053 8.1596 119.4307 51.9491 39.4703 172.7690 111 P 5.1249 0.0000 0.0000 62.0555 31.9625 174.6430 112 Y 4.5230 8.8986 119.2397 56.9069 39.9801 176.5218 113 E 4.1236 8.2546 117.8923 58.4881 30.1540 178.8668 114 S 4.7188 8.1064 117.6922 57.6962 64.3353 175.7851 115 E 4.0265 8.8106 121.0131 58.4485 29.8005 175.7923 116 A 4.1946 7.9451 118.9197 55.2381 18.5518 178.3862 117 E 3.9094 7.8407 115.0089 57.1639 29.5704 178.4408 118 G 3.9640 7.6360 108.0751 44.4497 0.0000 172.5786 119 D 4.9432 8.1965 117.3206 53.8935 42.4542 176.0015 120 W 5.3259 9.0695 120.3578 55.0452 34.2083 173.9274 121 I 5.3706 9.1386 120.0462 59.4959 41.3099 173.6827 122 A 5.3851 9.2530 129.4988 50.1283 22.8305 175.2957 123 V 4.5493 9.1823 120.7063 61.4658 34.2536 174.3921 124 S 5.1733 8.8413 124.5773 56.8112 65.3905 173.6000 125 L 5.2820 8.6168 122.6773 53.5165 45.8287 174.8940 126 Y 5.1866 7.4117 120.6504 56.5917 42.6915 174.8335 127 G 3.7404 6.4604 111.7053 46.4590 0.0000 170.9431 128 T 4.9910 8.2113 112.7277 59.7793 72.5878 173.5597 129 I 4.7882 8.2982 122.8841 59.8033 41.2001 174.0259 130 G 4.2411 8.3915 116.2764 46.2224 0.0000 172.1487 131 A 4.7438 8.1526 124.2940 50.3777 19.2330 176.8150 132 P 4.2761 0.0000 0.0000 65.8772 31.3261 177.6533 133 I 3.8240 7.6200 120.6754 61.3140 37.5510 176.3054 134 K 3.9866 8.7538 125.7822 58.1297 31.7236 178.6906 135 G 3.6569 8.0046 107.4662 48.0646 0.0000 173.2118 136 L 3.9855 7.9758 121.6382 55.6234 40.5370 175.8888 137 E 5.1783 7.7361 121.3414 56.4158 31.1707 174.7818 138 H 4.9863 7.5904 113.2289 54.2850 32.3500 172.4778 139 E 4.7811 8.8312 117.2412 56.9730 30.5069 176.7366 140 T 4.7620 8.5224 115.5494 60.9029 71.0156 172.3101 141 F 5.2023 8.8210 130.2017 56.7244 43.0768 174.2827 142 G 4.4119 7.1685 108.0582 46.2395 0.0000 172.2572 143 V 4.8169 8.6659 125.1327 60.8837 34.3703 174.6658 144 G 4.1863 9.2887 115.0412 44.4363 0.0000 171.4905 145 I 5.0897 8.6525 125.9361 59.8284 39.4066 174.3423 146 N 5.3586 9.1574 125.9795 51.8029 42.3465 173.2285 147 H 3.7776 8.3088 117.8967 54.5087 30.4505 175.0937 148 I 3.7091 7.3776 118.4802 61.5647 38.1010 174.1202 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 4.39 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 1.20 0.00 0.00 3 L 8.38 4.01 0.00 1.54 1.41 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *4 H 8.22 4.89 0.00 2.79 2.89 0.00 7.19 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.67 4.19 0.00 1.77 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.03 7.81 6 E 8.07 4.41 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 2.28 2.25 0.00 7 R 7.52 4.84 0.00 2.35 2.20 0.00 2.76 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 8 R 7.49 4.49 0.00 1.82 1.86 0.00 3.10 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.88 0.00 9 I 8.39 3.37 2.14 0.00 0.00 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 1.55 1.12 0.97 0.00 0.00 10 G 7.92 3.51 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 0.00 0.00 0.00 11 R 7.92 3.84 0.00 1.84 2.05 0.00 3.16 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 1.66 1.71 0.00 12 L 7.87 3.86 0.00 1.40 1.40 0.73 0.66 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 13 S 7.81 4.01 0.00 4.00 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 14 V 7.78 3.70 2.29 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 1.29 0.00 0.00 1.20 0.00 0.00 15 L 7.88 3.89 0.00 1.82 1.68 0.87 0.35 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 16 L 7.64 3.95 0.00 1.56 1.79 0.88 1.04 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 17 L 7.27 4.08 0.00 1.82 1.91 0.99 0.95 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 18 L 7.90 4.06 0.00 1.55 1.54 0.75 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.47 4.56 0.00 2.64 2.73 0.00 0.00 6.88 8.96 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 20 E 9.04 4.10 0.00 1.99 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 2.23 1.87 0.00 21 A 7.60 4.77 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 *23 E 8.72 4.02 0.00 2.03 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 2.13 1.88 0.00 24 S 8.37 4.68 0.00 3.62 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 25 T 8.04 4.46 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 1.27 0.00 0.00 26 Q 8.22 4.23 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 27 V 7.82 3.88 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 1.05 0.00 0.00 0.91 0.00 0.00 28 E 7.98 4.06 0.00 2.07 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 2.24 2.20 0.00 29 E 8.09 4.21 0.00 2.06 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 2.23 1.98 0.00 30 L 7.77 4.53 0.00 1.85 1.76 0.73 0.42 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 31 E 8.57 4.55 0.00 2.06 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 0.00 2.42 2.51 0.00 32 R 8.04 4.04 0.00 1.89 1.89 0.00 3.24 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 33 D 8.03 5.13 0.00 3.06 2.78 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 34 G 7.77 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 35 W 7.54 5.44 0.00 3.39 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 36 K 9.60 4.74 0.00 1.41 1.69 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.25 7.81 37 V 8.45 4.96 2.12 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 0.92 0.00 0.00 1.04 0.00 0.00 38 C 9.10 5.07 0.00 3.07 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.37 4.82 0.00 1.44 1.37 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.59 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 41 K 8.24 5.19 0.00 1.49 1.53 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.97 7.81 42 V 9.06 4.54 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 0.85 0.00 0.00 0.96 0.00 0.00 43 G 8.78 4.37 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 0.00 44 S 8.84 4.78 0.00 3.87 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 45 M 8.76 4.37 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 46 D 8.15 5.04 0.00 2.48 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 0.00 0.00 0.00 47 A 8.51 3.97 1.27 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 0.00 0.00 48 H 7.98 4.25 0.00 3.41 3.60 0.00 5.66 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 49 K 7.65 4.02 0.00 1.87 1.89 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.29 7.81 50 V 7.51 3.64 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 0.92 0.00 0.00 0.89 0.00 0.00 51 I 7.51 3.60 2.01 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 0.84 0.90 0.00 0.00 52 A 8.20 4.06 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 53 A 7.95 3.84 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 54 I 7.19 2.70 1.49 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.29 0.64 0.00 0.00 55 E 7.98 3.84 0.00 2.09 2.21 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 2.32 2.38 0.00 56 T 8.50 3.87 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 57 A 8.14 4.12 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 58 S 8.35 4.29 0.00 4.08 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 59 K 7.42 4.11 0.00 1.87 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 60 K 8.25 4.19 0.00 1.85 1.86 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 61 S 8.10 4.34 0.00 4.10 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 62 G 8.75 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 63 V 10.56 3.74 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 0.88 0.00 0.00 1.02 0.00 0.00 64 I 7.62 4.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.93 0.00 0.00 65 Q 8.35 4.29 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.14 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 66 S 8.90 4.19 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 67 E 7.93 4.50 0.00 2.02 1.70 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 2.16 1.86 0.00 68 G 9.23 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.39 4.62 0.00 2.92 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 70 R 8.44 3.80 0.00 1.92 1.93 0.00 3.20 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 71 E 7.93 4.08 0.00 2.01 1.93 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 2.29 1.96 0.00 72 S 7.87 4.35 0.00 3.87 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 73 H 7.94 3.95 0.00 2.06 2.91 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 7.46 3.89 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 75 L 7.68 4.13 0.00 1.70 1.64 0.91 0.95 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 7.55 3.89 0.00 3.15 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 8.08 4.16 0.00 3.15 3.34 0.00 5.67 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 7.51 3.97 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 79 T 8.03 3.69 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 1.00 0.00 0.00 80 M 7.90 3.82 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.95 0.00 81 E 8.44 4.24 0.00 1.95 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 2.39 2.58 0.00 82 A 7.70 4.23 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 83 L 7.84 4.15 0.00 1.75 1.61 0.79 0.78 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 84 H 7.90 4.30 0.00 3.49 3.35 0.00 5.82 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 8.04 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 0.00 0.00 0.00 86 V 7.79 4.10 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 0.92 0.00 0.00 87 T 8.41 4.12 4.46 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 1.21 0.00 0.00 88 R 9.22 3.89 0.00 1.91 2.00 0.00 3.19 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 89 G 7.44 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.77 4.51 0.00 1.94 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 2.22 2.20 0.00 91 M 8.32 4.54 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 92 L 7.42 4.90 0.00 1.61 1.49 0.92 0.99 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 93 L 8.12 4.46 0.00 1.77 1.54 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 94 G 6.92 3.82 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 0.00 0.00 0.00 95 S 8.04 4.30 0.00 3.99 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 96 L 8.01 4.59 0.00 1.72 1.68 0.92 0.94 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 97 L 7.70 3.67 0.00 1.70 1.66 0.91 0.90 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 98 R 7.62 4.94 0.00 1.88 1.80 0.00 3.00 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 99 T 9.22 4.78 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 8.53 4.92 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 0.97 0.00 0.00 101 G 9.11 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 0.00 102 L 9.19 5.39 0.00 1.72 1.58 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.38 4.95 0.00 1.82 1.92 0.00 3.06 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 104 F 9.24 5.62 0.00 3.06 3.08 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 0.00 105 A 8.94 5.05 1.21 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 0.00 0.00 0.00 106 V 8.66 4.79 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 1.10 0.00 0.00 1.05 0.00 0.00 107 L 8.73 5.15 0.00 1.70 1.39 0.77 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 108 R 10.04 5.22 0.00 1.96 1.87 0.00 3.37 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 109 G 8.92 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 0.00 110 N 8.16 5.31 0.00 3.05 2.69 0.00 0.00 6.90 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 5.12 0.00 2.05 2.32 0.00 3.62 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 112 Y 8.90 4.52 0.00 2.98 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 0.00 113 E 8.25 4.12 0.00 2.12 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 2.26 2.15 0.00 114 S 8.11 4.72 0.00 3.92 3.83 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 0.00 115 E 8.81 4.03 0.00 1.89 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 2.31 1.88 0.00 116 A 7.95 4.19 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 7.84 3.91 0.00 2.01 1.84 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 2.23 1.63 0.00 118 G 7.64 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.20 4.94 0.00 2.72 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 0.00 120 W 9.07 5.33 0.00 3.43 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 9.14 5.37 1.96 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 1.22 1.72 0.99 0.00 0.00 122 A 9.25 5.39 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.18 4.55 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 0.84 0.00 0.00 0.91 0.00 0.00 124 S 8.84 5.17 0.00 3.77 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 5.28 0.00 1.37 1.46 0.90 0.72 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 0.00 126 Y 7.41 5.19 0.00 3.10 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 0.00 127 G 6.46 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 0.00 128 T 8.21 4.99 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 1.11 0.00 0.00 129 I 8.30 4.79 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.58 0.81 0.00 0.00 130 G 8.39 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 0.00 131 A 8.15 4.74 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 0.00 132 P 0.00 4.28 0.00 2.18 2.20 0.00 3.76 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 1.98 1.99 0.00 133 I 7.62 3.82 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 0.53 0.90 0.00 0.00 134 K 8.75 3.99 0.00 1.77 1.74 0.00 1.81 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 1.37 1.03 7.81 135 G 8.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.98 3.99 0.00 1.71 1.66 0.92 0.84 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 0.00 137 E 7.74 5.18 0.00 2.08 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 2.12 2.04 0.00 138 H 7.59 4.99 0.00 3.20 3.44 0.00 5.45 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.83 4.78 0.00 1.99 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 2.38 2.37 0.00 140 T 8.52 4.76 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 1.17 0.00 0.00 141 F 8.82 5.20 0.00 3.16 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 0.00 142 G 7.17 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 0.00 143 V 8.67 4.82 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 0.87 0.00 0.00 0.96 0.00 0.00 144 G 9.29 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 0.00 0.00 0.00 145 I 8.65 5.09 2.00 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 0.79 1.15 0.00 0.00 146 N 9.16 5.36 0.00 2.88 2.69 0.00 0.00 6.56 7.28 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 0.00 147 H 8.31 3.78 0.00 1.82 1.35 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.38 3.71 1.75 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 1.08 0.47 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.