NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4119 8.3144 120.0886 56.2096 33.7068 174.4655 3 K 4.4528 8.6648 126.3493 53.9194 35.3238 173.6898 4 I 4.3869 9.3397 129.8610 61.4571 38.3845 174.7797 5 I 4.4132 8.5298 128.3356 59.9844 38.3671 174.9568 6 E 4.9037 8.6887 127.1118 54.7406 32.7199 174.5372 7 T 4.6772 9.6523 120.5586 60.6040 70.6311 174.2741 8 Q 4.3125 8.6756 125.9736 57.6342 29.0129 177.0012 9 R 4.2095 7.9955 116.1024 56.6469 30.5247 176.0120 10 A 4.8622 7.2729 119.2935 48.8789 22.0161 174.2703 11 P 4.3899 0.0000 0.0000 62.4672 31.9014 176.8837 12 G 3.6724 8.4549 109.3637 45.0319 0.0000 173.2269 13 A 3.8687 8.4371 124.8125 52.2996 18.7977 178.4661 14 I 4.3559 7.9777 118.4825 59.4995 38.0074 174.8585 15 G 3.9372 6.7443 108.1532 46.1036 0.0000 172.6537 16 P 4.5508 0.0000 0.0000 61.0753 29.5438 174.7097 17 Y 4.8711 6.7614 119.7404 56.6459 41.2461 175.4329 18 V 4.4442 8.0734 113.7598 59.7210 34.1245 176.3628 19 Q 4.3478 8.7118 120.8505 59.1967 29.6941 176.5374 20 G 4.5677 7.8419 103.3938 45.2107 0.0000 172.2124 21 V 5.0324 9.0270 120.2731 60.8806 35.4540 173.6546 22 D 5.2450 9.3313 127.4937 52.7349 42.9089 176.1664 23 L 4.3596 9.2152 126.1358 54.6049 41.5034 177.2638 24 G 4.2883 8.0625 115.7189 45.2902 0.0000 175.1339 25 S 4.3634 7.9325 113.6625 60.2312 64.9289 173.6626 26 M 5.1759 7.9298 118.5301 53.7394 36.0501 173.6761 27 V 4.9818 8.9796 124.5315 61.1710 34.7532 174.0446 28 F 5.3297 9.2766 126.2436 55.9797 41.5315 174.7910 29 T 5.0900 8.4857 112.9747 59.8704 70.9747 174.5067 30 S 4.3488 8.8724 119.8049 58.1968 64.0103 174.4076 31 G 3.8609 8.3473 108.9262 46.3041 0.0000 173.0392 32 Q 4.6792 9.4168 126.5714 54.8762 30.1794 175.4574 33 I 4.7259 8.2637 117.5313 57.7202 40.3325 174.4700 34 P 4.6634 0.0000 0.0000 62.1236 30.7178 174.7126 35 V 4.6070 6.9561 125.3235 62.8737 31.2916 175.2818 *37 P 4.4754 0.0000 0.0000 62.3467 32.9915 177.8767 38 Q 4.2316 8.2075 117.0071 57.5984 29.1175 176.4786 39 T 4.3410 7.9355 105.0940 60.6572 70.5007 175.3376 40 G 3.9648 8.3798 109.4650 45.1407 0.0000 173.3772 41 E 4.2230 7.7276 117.1097 55.8257 30.4995 176.1524 42 I 4.7135 7.8271 120.3963 58.0035 39.0131 174.2067 43 P 4.3903 0.0000 0.0000 62.3448 31.9139 176.6075 44 A 4.1109 8.5068 124.7318 54.9021 18.8856 178.5305 45 D 4.5938 7.9135 115.3852 53.6744 43.0382 177.4622 46 V 3.6343 8.4305 126.5345 64.9480 31.3367 178.3417 47 Q 3.9447 8.7560 120.5725 59.2698 28.9250 178.1102 48 D 4.4009 8.0160 119.3911 57.2196 40.8785 178.5434 49 Q 3.9820 8.4914 118.8365 58.8530 28.7364 178.6649 50 A 3.9557 8.2723 122.0234 55.2215 18.3896 179.6217 51 R 3.7379 7.9465 117.1481 59.5020 30.1180 178.5110 52 L 3.9278 8.0206 120.0910 58.1461 42.0780 178.9668 53 S 4.0889 8.2648 115.3764 61.7163 62.5708 176.7820 54 L 3.5619 7.3813 120.2327 57.6468 41.2148 179.1706 55 E 4.2510 8.0446 117.7324 59.3533 29.5014 178.8435 56 N 4.5541 8.3454 116.8424 56.0646 38.5841 178.3644 57 V 3.7328 7.5926 116.9518 63.4324 31.5562 177.4241 *59 A 4.3027 7.9819 121.6808 51.8254 20.3201 180.0530 60 I 3.7949 7.6240 116.6458 64.4477 37.1574 178.8430 61 V 3.6087 7.8928 119.1635 65.9355 31.2620 178.2439 62 V 4.2040 8.0145 118.6554 65.5392 31.2649 177.6948 63 A 4.0007 7.9930 118.8553 54.3534 18.2647 178.4168 64 A 4.3771 7.4633 117.1601 52.1014 18.9988 178.0498 65 G 3.8189 8.2350 105.9003 45.4185 0.0000 173.2423 66 L 4.9038 7.7955 120.8309 52.6644 44.6055 174.7932 67 S 4.9719 8.8875 113.1794 56.9646 66.4404 174.8251 68 V 3.4700 8.3324 119.0987 66.0385 31.0067 177.8227 69 G 3.8286 7.9909 106.5966 47.5414 0.0000 173.4214 70 D 4.6414 8.2812 119.3933 54.5883 41.5192 176.3557 71 I 4.3197 7.8148 121.9709 61.2036 37.6918 175.6080 72 I 4.5058 8.8582 118.0446 60.7697 40.2188 175.2299 73 K 5.1945 7.6859 123.5697 55.2249 35.7309 174.4531 74 M 5.3794 9.2105 125.8457 53.8607 36.6171 174.3448 75 T 4.7395 8.6005 117.6444 61.7091 72.1198 173.3387 76 V 4.4479 8.5879 127.0026 61.2425 33.3768 174.0114 77 F 5.2678 8.9552 128.3606 56.5369 40.4618 175.3877 78 I 5.3610 8.9191 116.3752 59.6612 41.1835 175.7187 79 T 4.3640 8.7473 111.5907 62.2055 70.6190 174.1853 80 D 4.7155 7.8035 122.5845 52.1898 42.7599 175.3336 81 L 4.0670 9.2571 128.8617 57.2375 41.3179 178.9020 82 N 4.5054 8.5884 115.9780 55.4253 38.7165 176.1557 83 D 4.5854 8.3940 120.1863 55.3676 41.0173 177.8110 84 F 4.2146 8.3275 122.4326 61.4350 39.3306 176.8392 85 A 3.8763 8.0447 119.5997 55.4489 18.2770 179.6268 86 T 3.8186 7.8042 113.7335 66.7908 68.5641 176.8380 87 I 3.6989 7.9870 121.9917 64.5886 37.1562 178.2999 88 N 4.0655 8.3592 117.6223 56.0610 38.2310 177.1585 89 E 3.9540 8.1833 120.8804 59.1061 29.6868 179.0707 90 V 3.6317 7.8394 118.4209 66.0689 31.6469 177.3817 91 Y 4.0711 8.4047 119.6838 60.5947 38.5928 177.8339 92 K 3.9687 8.7642 120.8930 59.7842 32.2594 178.4913 93 Q 4.0472 8.3894 119.7743 58.9618 28.9697 177.9620 94 F 4.0601 8.5588 121.8443 61.4430 39.4518 177.2210 95 F 4.0148 8.5201 117.3306 60.6082 38.7719 177.4375 96 D 4.4340 8.8272 119.0088 57.4220 40.4107 178.3105 97 E 3.8892 8.3456 119.1883 59.0019 29.5140 177.6925 98 H 4.5503 7.1891 112.4825 54.0431 29.6661 174.8055 99 Q 3.2576 7.7786 118.4195 57.1039 26.8002 173.8095 100 A 4.7791 7.9025 118.8012 50.1470 21.3727 177.5456 101 T 3.6986 8.3693 119.5711 63.5441 69.1527 173.8891 102 Y 4.0245 7.5863 123.4508 57.2358 38.4246 174.2366 103 P 4.7120 0.0000 0.0000 62.1949 32.5259 175.8217 104 T 4.1857 8.4454 110.2172 62.2642 69.8425 173.3126 105 R 5.3758 8.0606 120.9816 55.6890 33.3979 174.0278 106 S 4.8346 8.5322 119.1961 56.8780 67.0946 172.5877 107 C 5.4942 8.3571 122.2136 57.1466 34.2108 173.3717 108 V 4.5177 8.2241 117.9013 59.6566 36.2769 174.2505 109 Q 4.8241 8.6144 124.6791 55.3039 29.4820 175.7649 110 V 4.1589 8.5339 120.9555 60.2180 33.0080 176.7270 111 A 4.0963 8.5885 123.8848 55.2275 18.4399 177.6924 112 R 4.5216 7.1920 111.4262 55.7230 32.9865 173.3316 113 L 4.8559 7.8631 120.5937 51.6849 45.2019 174.3981 114 P 4.3520 0.0000 0.0000 64.5642 31.6329 176.9665 115 K 3.8570 9.3015 119.1123 56.8784 29.5733 175.0828 116 D 4.4388 8.1430 115.9623 55.4112 38.7257 174.7231 117 V 3.9924 7.1968 110.5901 61.1743 32.4497 176.7000 118 K 4.4725 9.6152 120.6538 57.5086 32.9735 176.7473 119 L 5.1520 7.5845 117.9429 54.8035 43.3846 174.4421 120 E 4.9030 9.3907 120.8098 54.9042 33.4809 173.7988 121 I 4.9433 9.0562 127.9976 59.5337 40.3433 174.3304 122 E 5.0609 9.0353 125.2923 54.7202 32.3099 174.9092 123 A 5.3500 8.8231 122.2957 50.3364 23.2812 174.8704 124 I 4.7401 8.7428 120.0284 59.3292 40.6981 174.7632 125 A 5.1935 8.9549 127.8422 50.1335 22.6643 175.0661 126 V 4.7706 8.4730 112.3263 59.4544 35.0822 175.5315 127 R 4.3115 8.6229 125.1690 55.3360 30.7488 176.5623 128 S 4.3588 8.6013 121.6287 58.8412 63.0375 174.0677 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 4.41 0.00 1.67 1.84 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 3 K 8.66 4.45 0.00 1.89 1.62 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.36 7.81 4 I 9.34 4.39 1.89 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 1.37 0.66 0.93 0.00 0.00 5 I 8.53 4.41 1.92 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 1.15 0.57 0.99 0.00 0.00 6 E 8.69 4.90 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 2.18 2.28 0.00 7 T 9.65 4.68 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 1.35 0.00 0.00 8 Q 8.68 4.31 0.00 2.09 2.14 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 2.37 2.33 0.00 9 R 8.00 4.21 0.00 1.83 1.98 0.00 3.11 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 10 A 7.27 4.86 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 11 P 0.00 4.39 0.00 2.24 2.10 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 12 G 8.45 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 13 A 8.44 3.87 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 14 I 7.98 4.36 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.07 0.97 0.00 0.00 15 G 6.74 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 16 P 0.00 4.55 0.00 2.21 2.10 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 17 Y 6.76 4.87 0.00 3.04 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 18 V 8.07 4.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.03 0.00 0.00 19 Q 8.71 4.35 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 20 G 7.84 4.57 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 0.00 21 V 9.03 5.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 22 D 9.33 5.24 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.22 4.36 0.00 1.82 1.75 1.15 0.93 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 24 G 8.06 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 0.00 0.00 0.00 0.00 25 S 7.93 4.36 0.00 3.93 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 26 M 7.93 5.18 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.16 0.00 27 V 8.98 4.98 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 1.04 0.00 0.00 1.00 0.00 0.00 28 F 9.28 5.33 0.00 3.07 2.98 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 29 T 8.49 5.09 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 1.25 0.00 0.00 30 S 8.87 4.35 0.00 3.79 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.35 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 0.00 0.00 0.00 32 Q 9.42 4.68 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 33 I 8.26 4.73 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.92 0.00 0.00 34 P 0.00 4.66 0.00 2.25 2.49 0.00 3.68 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 2.08 2.09 0.00 35 V 6.96 4.61 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 0.90 0.00 0.00 0.95 0.00 0.00 *37 P 0.00 4.48 0.00 2.38 2.18 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.16 0.00 38 Q 8.21 4.23 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 39 T 7.94 4.34 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 1.22 0.00 0.00 40 G 8.38 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 41 E 7.73 4.22 0.00 2.14 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 0.00 2.31 2.28 0.00 42 I 7.83 4.71 1.88 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 1.59 1.48 0.96 0.00 0.00 43 P 0.00 4.39 0.00 2.04 1.99 0.00 3.79 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 2.03 2.09 0.00 44 A 8.51 4.11 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 45 D 7.91 4.59 0.00 2.73 2.68 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 46 V 8.43 3.63 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 0.91 0.00 0.00 0.95 0.00 0.00 47 Q 8.76 3.94 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 48 D 8.02 4.40 0.00 2.89 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 49 Q 8.49 3.98 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 50 A 8.27 3.96 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 51 R 7.95 3.74 0.00 1.97 2.07 0.00 3.24 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 52 L 8.02 3.93 0.00 1.88 1.82 0.93 0.85 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 53 S 8.26 4.09 0.00 3.97 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 54 L 7.38 3.56 0.00 1.02 0.13 0.55 0.35 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 55 E 8.04 4.25 0.00 2.07 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 2.49 2.59 0.00 56 N 8.35 4.55 0.00 2.90 3.07 0.00 0.00 6.58 7.22 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 57 V 7.59 3.73 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 *59 A 7.98 4.30 1.42 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 60 I 7.62 3.79 2.03 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 0.92 1.02 0.00 0.00 61 V 7.89 3.61 2.09 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 1.04 0.00 0.00 1.01 0.00 0.00 62 V 8.01 4.20 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 1.42 0.00 0.00 0.90 0.00 0.00 63 A 7.99 4.00 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 64 A 7.46 4.38 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 65 G 8.23 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 66 L 7.80 4.90 0.00 1.89 1.71 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.89 4.97 0.00 3.83 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 68 V 8.33 3.47 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.53 0.00 0.00 69 G 7.99 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 0.00 0.00 0.00 70 D 8.28 4.64 0.00 2.85 2.91 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 71 I 7.81 4.32 2.24 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 1.09 0.00 0.00 72 I 8.86 4.51 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.84 0.96 0.00 0.00 73 K 7.69 5.19 0.00 1.83 1.59 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.37 7.81 74 M 9.21 5.38 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 75 T 8.60 4.74 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 0.30 0.00 0.00 76 V 8.59 4.45 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 1.00 0.00 0.00 0.97 0.00 0.00 77 F 8.96 5.27 0.00 3.02 2.91 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 78 I 8.92 5.36 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 0.98 0.00 0.00 79 T 8.75 4.36 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 80 D 7.80 4.72 0.00 2.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.26 4.07 0.00 1.73 1.56 0.78 0.26 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 82 N 8.59 4.51 0.00 2.82 2.90 0.00 0.00 7.01 8.68 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 83 D 8.39 4.59 0.00 2.86 2.74 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 84 F 8.33 4.21 0.00 3.18 3.03 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 85 A 8.04 3.88 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 86 T 7.80 3.82 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 1.22 0.00 0.00 87 I 7.99 3.70 1.94 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 1.54 0.84 0.89 0.00 0.00 88 N 8.36 4.07 0.00 2.54 2.54 0.00 0.00 6.70 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 89 E 8.18 3.95 0.00 2.07 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 2.31 2.37 0.00 90 V 7.84 3.63 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 0.97 0.00 0.00 0.97 0.00 0.00 91 Y 8.40 4.07 0.00 3.11 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 92 K 8.76 3.97 0.00 1.81 1.99 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.74 1.44 7.81 93 Q 8.39 4.05 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 94 F 8.56 4.06 0.00 3.22 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 95 F 8.52 4.01 0.00 3.58 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.83 4.43 0.00 2.94 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 97 E 8.35 3.89 0.00 2.12 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 98 H 7.19 4.55 0.00 3.03 3.10 0.00 5.86 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.78 3.26 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 100 A 7.90 4.78 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 0.00 101 T 8.37 3.70 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 1.13 0.00 0.00 102 Y 7.59 4.02 0.00 2.93 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 0.00 103 P 0.00 4.71 0.00 2.07 2.14 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 104 T 8.45 4.19 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 0.00 105 R 8.06 5.38 0.00 1.73 1.68 0.00 2.51 0.00 0.00 3.38 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 106 S 8.53 4.83 0.00 3.65 3.60 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 0.00 107 C 8.36 5.49 0.00 2.93 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 0.00 108 V 8.22 4.52 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 0.64 0.00 0.00 1.07 0.00 0.00 109 Q 8.61 4.82 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 110 V 8.53 4.16 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 0.80 0.00 0.00 1.07 0.00 0.00 111 A 8.59 4.10 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 0.00 112 R 7.19 4.52 0.00 1.72 1.73 0.00 3.18 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 113 L 7.86 4.86 0.00 1.85 1.48 1.05 1.01 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 0.00 114 P 0.00 4.35 0.00 2.16 2.00 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 115 K 9.30 3.86 0.00 1.92 1.91 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.47 7.81 116 D 8.14 4.44 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.20 3.99 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 0.72 0.00 0.00 1.03 0.00 0.00 118 K 9.62 4.47 0.00 1.80 1.87 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.30 7.81 119 L 7.58 5.15 0.00 1.78 1.63 0.95 0.57 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 0.00 120 E 9.39 4.90 0.00 2.06 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 2.36 2.26 0.00 121 I 9.06 4.94 1.88 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 1.34 0.71 0.96 0.00 0.00 122 E 9.04 5.06 0.00 2.15 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 2.41 2.29 0.00 123 A 8.82 5.35 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 0.00 124 I 8.74 4.74 1.69 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 0.70 0.64 0.38 0.00 0.00 125 A 8.95 5.19 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 0.00 126 V 8.47 4.77 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 0.64 0.00 0.00 0.97 0.00 0.00 127 R 8.62 4.31 0.00 1.86 1.89 0.00 3.26 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 128 S 8.60 4.36 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.