NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4296 8.2985 121.7432 55.9253 30.9819 174.6965 3 A 4.3660 8.6872 129.3789 50.9254 19.5257 171.0129 4 V 4.4167 8.5881 120.6853 60.9346 34.0547 173.3830 5 K 4.9108 8.6274 128.1641 55.0306 34.9653 175.1219 6 T 4.6680 9.6191 121.1808 60.8198 70.4861 172.9363 7 D 4.7043 8.6291 125.7847 53.7467 39.9296 177.0556 8 R 4.2455 7.9427 118.1185 56.8985 30.5271 175.9535 9 A 4.8143 7.4455 119.9011 48.9168 22.3406 174.0018 10 P 4.5603 0.0000 0.0000 62.0423 31.7445 176.4949 11 A 4.1196 8.3557 123.2635 51.5983 19.0413 177.2177 12 A 4.0386 8.3825 123.5023 52.5516 18.7323 178.1888 13 I 4.3070 7.8989 117.0861 60.2350 38.4246 175.3764 14 G 3.8748 6.6032 108.8220 46.1397 0.0000 173.0961 15 P 4.5715 0.0000 0.0000 61.1338 29.2525 174.6850 16 Y 4.7814 6.8283 118.7574 56.7315 40.9827 174.7379 17 A 4.7577 8.3937 123.5956 50.6893 21.1464 177.3091 18 Q 4.4632 8.7511 119.1112 59.2365 29.9558 176.5166 19 A 5.1289 7.7136 117.4617 51.0863 23.0881 175.3153 20 V 4.9226 9.0657 119.0983 61.2024 35.0849 174.3306 21 K 5.1613 9.1456 127.6048 55.1227 33.5294 176.0597 22 A 4.4160 9.7731 125.2348 52.6418 22.4510 176.2491 23 G 3.9888 10.1688 108.9767 46.5403 0.0000 174.7372 24 G 3.7183 8.5881 106.6307 44.5273 0.0000 173.1568 25 F 5.2954 8.0556 117.4922 55.3749 43.6506 174.0714 26 V 4.7105 8.8153 119.8936 61.3511 34.1242 174.1631 27 F 4.8896 9.6575 127.8441 56.1376 40.7228 174.8966 28 V 4.7534 8.6385 125.1739 61.0508 33.1419 175.7392 29 S 4.4964 8.9487 124.4865 58.1800 63.8109 174.3949 30 G 3.8046 8.3196 109.1027 46.4124 0.0000 173.0726 31 Q 4.7699 9.3076 126.2412 54.9073 30.5643 175.1572 32 I 5.0069 8.1361 115.5999 57.4340 41.1511 174.3328 33 P 4.7247 0.0000 0.0000 62.8525 28.4250 175.3810 34 L 5.0195 7.5297 120.1714 53.3375 44.9709 177.0565 35 A 4.3781 8.9013 125.8162 50.7442 19.1536 176.6577 36 P 4.3506 0.0000 0.0000 65.9043 31.3742 178.0894 37 D 4.5913 8.0177 114.2545 53.6819 39.4952 177.0636 38 G 3.9779 8.6344 109.5155 45.1659 0.0000 174.0623 39 S 4.4310 8.5040 115.8270 57.7318 64.4922 173.6246 40 L 4.3214 8.4990 124.6836 55.2082 42.8963 176.4369 41 V 4.2176 8.5784 126.7600 61.4740 31.9047 175.2810 42 E 4.3131 8.9751 127.5653 55.3560 30.7586 175.8956 43 G 3.8757 8.3485 105.8519 43.8546 0.0000 173.0894 44 D 4.6952 8.3549 120.7636 52.6578 41.7882 176.4889 45 I 3.7722 8.2752 117.9339 64.3555 37.8686 177.8734 46 R 3.9763 8.0668 118.6601 59.0945 29.8612 179.0277 47 V 3.6109 8.6095 118.5222 66.2222 31.5943 178.2347 48 Q 4.0538 8.2689 117.8072 59.1861 28.2949 178.7992 49 T 4.0272 8.1841 116.6148 66.3913 68.5336 176.0376 50 E 3.9568 7.9490 120.5445 59.2326 29.9539 178.5521 51 R 4.0565 7.7577 118.8648 59.2293 30.0186 179.3776 52 V 3.5079 7.5464 115.4161 63.6001 31.3087 177.3146 *54 E 4.2022 8.1848 118.6613 55.9865 31.6617 178.0939 55 N 4.3216 8.1947 116.1754 56.1720 38.4542 177.3349 56 L 3.9749 8.0541 120.6034 57.7316 41.7183 179.3974 57 K 3.8190 7.9885 118.6465 59.5606 32.1186 178.3899 58 A 4.1217 8.1542 120.9725 55.2096 18.4435 179.8201 59 V 3.5730 7.9962 116.8237 66.0631 31.5333 178.2474 60 L 4.0332 8.2394 119.0401 57.9365 41.5037 179.3730 61 E 4.2140 8.6921 119.7078 58.8999 29.1766 179.3392 62 A 4.0582 7.9737 119.5519 54.5657 18.5106 178.5978 63 A 4.3465 7.6588 116.7069 52.2933 18.9249 178.2301 64 G 3.8972 8.0796 105.7727 45.3361 0.0000 174.0302 65 S 4.9117 7.7260 116.0151 58.4312 64.1227 172.5822 66 G 3.9137 8.0535 105.3159 45.1082 0.0000 174.0409 67 L 4.0823 8.1751 119.4388 57.7890 41.5845 179.8621 68 S 4.4059 8.0354 110.8604 60.0266 63.3371 174.6788 69 R 4.3763 7.9944 119.9265 56.0767 30.5238 176.1909 70 V 4.1363 7.6017 119.3164 63.0496 31.9889 175.7925 71 V 4.3794 8.5897 119.4490 61.7457 34.0689 175.3463 72 Q 5.1259 7.6913 121.1335 54.9523 32.4259 173.0325 73 T 5.0546 8.8799 115.6947 60.1494 72.7966 173.0345 74 T 4.5763 8.8535 120.0238 62.2264 71.4580 172.5158 75 C 5.0607 8.7494 125.2480 57.6937 30.9646 173.2629 76 F 5.3568 8.9935 122.1607 55.6300 42.1481 174.2436 77 L 5.2271 8.7859 121.9500 52.9444 44.9583 177.4269 78 A 4.5499 8.7160 123.5561 53.4167 19.2410 176.5608 79 D 4.5682 7.5542 113.7722 53.1635 43.8736 174.7305 *81 E 4.2293 8.6996 115.0612 56.5716 31.4906 176.7553 82 D 4.7544 8.3104 117.8454 54.7375 40.9861 178.0444 83 F 4.1650 8.5061 119.6077 60.2287 38.9701 175.3709 84 P 4.4262 0.0000 0.0000 65.7084 31.3471 178.9289 85 G 3.6804 8.1719 103.9907 47.5854 0.0000 175.2599 86 F 4.1943 8.4304 122.9846 61.3227 39.4396 176.9195 87 N 4.0146 8.5224 116.3417 56.0895 38.0684 176.9011 88 E 3.9107 7.9444 119.6373 59.4859 30.0228 178.8478 89 V 3.7858 7.6848 117.9335 66.0231 31.6007 177.1032 90 Y 3.8969 8.1371 119.5275 60.7283 38.3511 177.8549 91 A 4.5227 8.1336 119.2078 54.0677 18.5574 178.8815 92 R 4.0874 8.0978 115.9804 57.6027 30.4424 176.7806 93 Y 4.0735 7.8981 114.5072 57.8524 39.6137 175.6931 94 F 4.8794 7.9648 118.3879 55.7568 40.7124 174.8486 95 T 4.5719 8.2565 118.9748 58.8676 70.3390 171.4715 96 P 3.8310 0.0000 0.0000 61.8501 31.7473 174.5975 97 P 4.2822 0.0000 0.0000 62.6019 31.8951 176.0263 98 Y 4.5380 8.2082 120.5025 57.0286 38.6726 173.4978 99 P 4.6480 0.0000 0.0000 62.1367 32.5845 176.1731 100 A 4.3254 8.7682 123.6010 52.3885 19.5822 176.6747 101 R 5.0462 8.1958 118.2222 54.9202 33.8123 174.0525 102 A 4.6033 8.4667 125.4144 50.4036 22.0422 175.0657 103 T 4.6883 8.5015 119.0773 61.7737 71.2795 173.8398 104 V 4.7128 8.4759 126.0662 60.9114 35.3712 174.0372 105 A 5.1472 8.8803 128.8215 51.6449 19.3569 176.7346 106 V 4.4637 9.0274 115.2323 59.2238 35.8336 177.1097 107 K 3.8764 8.7755 121.4338 59.2854 32.1779 176.5452 108 A 4.6513 7.4066 117.8335 50.8876 22.1248 174.7041 109 L 4.8328 8.0265 118.7806 51.6162 45.5507 174.5515 110 P 4.4665 0.0000 0.0000 64.4183 31.6177 177.2398 111 R 3.8888 9.4112 118.7665 56.4914 27.7141 176.4629 112 G 3.9187 8.1956 104.1976 46.5484 0.0000 174.9528 113 V 3.9725 7.3196 112.5394 60.7692 32.4240 176.6233 114 R 4.4230 8.4403 119.2043 58.4403 31.1237 177.0917 115 V 5.0139 7.5254 116.3656 60.2809 34.5006 173.7243 116 E 4.9388 9.2978 123.2994 54.6737 33.3801 174.1634 117 V 4.7203 8.9428 125.7842 61.2916 34.7230 174.2446 118 A 5.3545 8.7526 129.4634 50.8532 22.4403 174.3554 119 C 5.0859 8.3700 112.2811 57.6439 33.8115 172.9153 120 V 4.7455 8.8622 118.8250 61.0724 34.2791 174.1100 121 A 5.2644 8.7268 127.8139 49.9222 23.1786 174.8788 122 L 4.4666 8.8907 119.4453 54.4548 42.3077 178.6637 123 A 4.0367 8.7919 125.6374 53.9931 19.1377 177.5891 124 E 4.1851 7.3722 116.1283 56.5752 30.0749 175.7343 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 E 8.30 4.43 0.00 2.11 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 2.31 2.36 0.00 3 A 8.69 4.37 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 4 V 8.59 4.42 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 0.81 0.00 0.00 1.02 0.00 0.00 5 K 8.63 4.91 0.00 1.76 1.62 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.41 7.81 6 T 9.62 4.67 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 1.27 0.00 0.00 7 D 8.63 4.70 0.00 2.83 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 8 R 7.94 4.25 0.00 1.85 2.02 0.00 3.11 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 A 7.45 4.81 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 10 P 0.00 4.56 0.00 2.23 2.32 0.00 3.41 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 11 A 8.36 4.12 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 12 A 8.38 4.04 0.74 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 13 I 7.90 4.31 1.90 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 1.57 0.89 0.99 0.00 0.00 14 G 6.60 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 15 P 0.00 4.57 0.00 2.22 2.10 0.00 3.88 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 2.06 1.98 0.00 16 Y 6.83 4.78 0.00 3.01 2.95 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 17 A 8.39 4.76 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 18 Q 8.75 4.46 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 19 A 7.71 5.13 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 20 V 9.07 4.92 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 0.87 0.00 0.00 1.00 0.00 0.00 21 K 9.15 5.16 0.00 1.68 1.78 0.00 1.82 0.00 0.00 1.97 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 A 9.77 4.42 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 23 G 10.17 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 24 G 8.59 3.72 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 0.00 0.00 0.00 25 F 8.06 5.30 0.00 2.83 2.26 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 26 V 8.82 4.71 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 1.03 0.00 0.00 0.95 0.00 0.00 27 F 9.66 4.89 0.00 3.00 3.01 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 28 V 8.64 4.75 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 1.01 0.00 0.00 0.98 0.00 0.00 29 S 8.95 4.50 0.00 3.90 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 30 G 8.32 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 0.00 0.00 0.00 31 Q 9.31 4.77 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 32 I 8.14 5.01 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.94 0.00 0.00 33 P 0.00 4.72 0.00 2.33 2.48 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 34 L 7.53 5.02 0.00 1.65 1.61 0.97 0.97 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 35 A 8.90 4.38 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 36 P 0.00 4.35 0.00 2.19 2.29 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 37 D 8.02 4.59 0.00 2.79 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 38 G 8.63 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 39 S 8.50 4.43 0.00 3.90 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 40 L 8.50 4.32 0.00 1.69 1.61 0.95 0.95 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 41 V 8.58 4.22 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 0.84 0.00 0.00 0.94 0.00 0.00 42 E 8.98 4.31 0.00 2.01 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 2.30 2.25 0.00 43 G 8.35 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 44 D 8.35 4.70 0.00 3.00 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 45 I 8.28 3.77 2.26 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.64 1.00 0.00 0.00 46 R 8.07 3.98 0.00 2.08 2.00 0.00 3.22 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 47 V 8.61 3.61 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 1.10 0.00 0.00 1.00 0.00 0.00 48 Q 8.27 4.05 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.74 0.00 49 T 8.18 4.03 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 1.21 0.00 0.00 50 E 7.95 3.96 0.00 2.11 2.18 0.00 0.00 0.00 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 2.46 0.00 51 R 7.76 4.06 0.00 1.92 2.10 0.00 3.21 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 1.55 1.68 0.00 52 V 7.55 3.51 2.26 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 1.16 0.00 0.00 1.06 0.00 0.00 *54 E 8.18 4.20 0.00 2.16 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 2.48 2.31 0.00 55 N 8.19 4.32 0.00 2.92 2.87 0.00 0.00 6.98 6.73 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 56 L 8.05 3.97 0.00 1.60 1.75 1.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.99 3.82 0.00 1.79 1.97 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 58 A 8.15 4.12 1.40 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 0.00 0.00 59 V 8.00 3.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.05 0.00 0.00 60 L 8.24 4.03 0.00 1.93 1.81 1.07 1.21 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 61 E 8.69 4.21 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 62 A 7.97 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 63 A 7.66 4.35 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 64 G 8.08 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 65 S 7.73 4.91 0.00 3.83 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 66 G 8.05 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 67 L 8.18 4.08 0.00 1.62 1.46 0.82 0.22 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 68 S 8.04 4.41 0.00 3.99 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 69 R 7.99 4.38 0.00 2.00 2.00 0.00 3.30 0.00 0.00 3.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 70 V 7.60 4.14 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 0.72 0.00 0.00 1.22 0.00 0.00 71 V 8.59 4.38 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 0.79 0.00 0.00 0.98 0.00 0.00 72 Q 7.69 5.13 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 73 T 8.88 5.05 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 0.95 0.00 0.00 74 T 8.85 4.58 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 0.91 0.00 0.00 75 C 8.75 5.06 0.00 2.41 2.36 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 76 F 8.99 5.36 0.00 2.95 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 77 L 8.79 5.23 0.00 1.70 1.54 -0.08 0.22 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 78 A 8.72 4.55 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 79 D 7.55 4.57 0.00 2.65 2.70 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 *81 E 8.70 4.23 0.00 2.26 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 2.30 2.28 0.00 82 D 8.31 4.75 0.00 2.98 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 83 F 8.51 4.17 0.00 3.02 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 84 P 0.00 4.43 0.00 2.22 2.16 0.00 3.89 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 85 G 8.17 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 0.00 0.00 0.00 86 F 8.43 4.19 0.00 3.09 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 87 N 8.52 4.01 0.00 3.02 2.80 0.00 0.00 6.73 8.12 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 88 E 7.94 3.91 0.00 2.00 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 0.00 2.35 2.34 0.00 89 V 7.68 3.79 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 1.10 0.00 0.00 1.07 0.00 0.00 90 Y 8.14 3.90 0.00 2.42 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 91 A 8.13 4.52 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 92 R 8.10 4.09 0.00 1.86 1.72 0.00 3.22 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 93 Y 7.90 4.07 0.00 2.39 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 0.00 0.00 0.00 94 F 7.96 4.88 0.00 2.89 3.07 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 95 T 8.26 4.57 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 1.17 0.00 0.00 96 P 0.00 3.83 0.00 1.84 1.72 0.00 3.42 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.00 0.00 97 P 0.00 4.28 0.00 2.17 2.04 0.00 3.71 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 1.97 1.97 0.00 98 Y 8.21 4.54 0.00 3.04 2.87 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 99 P 0.00 4.65 0.00 1.75 1.83 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 2.08 0.00 100 A 8.77 4.33 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 0.00 101 R 8.20 5.05 0.00 1.66 1.60 0.00 2.68 0.00 0.00 2.63 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.49 0.00 102 A 8.47 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.50 4.69 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 0.26 0.00 0.00 104 V 8.48 4.71 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 1.08 0.00 0.00 0.93 0.00 0.00 105 A 8.88 5.15 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 0.00 106 V 9.03 4.46 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 0.86 0.00 0.00 0.94 0.00 0.00 107 K 8.78 3.88 0.00 1.69 1.79 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.42 7.81 108 A 7.41 4.65 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.83 0.00 1.80 1.53 1.03 1.05 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 0.00 110 P 0.00 4.47 0.00 2.19 2.00 0.00 3.75 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 2.09 2.09 0.00 111 R 9.41 3.89 0.00 1.98 2.03 0.00 3.52 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 112 G 8.20 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.32 3.97 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 0.77 0.00 0.00 1.04 0.00 0.00 114 R 8.44 4.42 0.00 1.80 2.00 0.00 3.24 0.00 0.00 3.59 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 115 V 7.53 5.01 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 0.71 0.00 0.00 0.98 0.00 0.00 116 E 9.30 4.94 0.00 2.05 1.91 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 2.27 2.26 0.00 117 V 8.94 4.72 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 0.97 0.00 0.00 1.20 0.00 0.00 118 A 8.75 5.35 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 0.00 119 C 8.37 5.09 0.00 3.17 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 0.00 120 V 8.86 4.75 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 0.40 0.00 0.00 0.89 0.00 0.00 121 A 8.73 5.26 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 0.00 122 L 8.89 4.47 0.00 1.59 1.50 0.91 0.76 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 0.00 123 A 8.79 4.04 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 0.00 124 E 7.37 4.19 0.00 1.92 1.78 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 2.19 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.