NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6144 8.3649 120.5320 54.1496 42.2538 174.5430 3 I 4.1628 8.2002 125.0021 59.5674 38.5528 173.5101 4 R 4.4627 9.4340 127.3968 54.5882 33.5633 173.1518 5 Y 5.1210 8.4678 123.1916 56.2942 40.3411 174.8406 6 F 4.7239 9.6425 123.6426 55.8098 41.9356 176.0578 7 G 3.9096 8.6386 110.9895 46.9335 0.0000 173.6404 8 T 4.1667 7.6681 113.8223 63.1864 68.2366 175.0389 9 T 4.5085 8.3083 116.0052 58.6500 71.3988 173.3096 10 P 4.1221 0.0000 0.0000 64.4965 31.4888 177.3443 11 R 4.4673 7.8325 117.6050 57.4353 31.7899 174.9881 12 Y 4.8596 7.0294 112.8581 56.0384 41.0179 172.9088 13 S 5.0307 8.3774 116.2290 56.6922 64.8185 174.4669 14 E 4.0541 8.4721 123.1326 59.1346 30.2843 176.9826 15 A 5.1426 8.0884 119.2688 50.3191 23.4174 175.4744 16 V 4.9244 9.3321 120.4470 61.1048 35.0666 174.5801 17 G 4.7096 9.0601 114.2979 44.6587 0.0000 171.6232 18 A 4.7353 9.3302 122.8237 51.4223 23.3577 176.0616 19 N 4.1541 9.9672 120.1477 54.5911 37.7448 175.3126 20 G 3.9634 8.2362 102.7752 45.3160 0.0000 173.8868 21 L 4.7164 7.6919 120.2157 54.0935 43.7379 175.9953 22 I 4.9434 8.6303 122.1929 59.7158 41.0487 174.2594 23 F 4.9403 9.5443 126.8616 55.8062 40.7146 175.1531 24 L 4.9426 8.6708 124.6167 53.5507 42.8833 177.2740 25 S 4.2678 8.6309 118.5016 58.2901 63.7286 175.5685 26 G 4.3822 8.6016 109.0251 44.7106 0.0000 172.9061 *28 V 3.5076 7.9809 117.0468 60.2676 32.2296 173.5242 29 P 4.2836 0.0000 0.0000 63.0402 31.5164 176.1862 30 E 4.5714 9.2313 121.8038 56.5766 30.8843 175.6707 31 N 4.9154 7.8780 114.3290 52.6826 42.6987 175.0506 32 G 4.1770 8.8841 104.4429 46.2380 0.0000 172.9393 33 E 4.5361 9.4269 118.4874 57.3039 31.8790 178.0929 34 T 4.3204 7.8437 108.0445 60.7302 71.3801 175.2263 35 A 3.9698 8.6231 123.8034 55.5909 18.4362 180.0643 36 A 3.9483 8.9898 119.4081 55.2401 18.4172 179.8281 37 E 3.9236 8.0802 116.6477 59.7275 29.5714 179.6308 38 Q 4.1416 8.4135 118.4358 59.0638 28.6646 178.7221 39 T 3.7724 8.1077 116.7069 66.6645 68.6338 176.2595 40 A 3.8893 7.7442 121.9892 55.3189 18.4781 179.2165 41 D 4.2171 8.0420 116.4250 57.4134 41.3126 178.6707 42 V 3.5294 7.8588 118.8683 65.9703 31.4626 178.0957 43 L 3.5029 7.9829 118.7502 57.3345 41.3236 179.2893 44 A 4.0465 7.8303 120.7068 55.0410 18.1733 179.7498 45 Q 3.9328 7.9511 116.1904 59.1620 28.7581 178.8150 46 I 3.8335 7.7635 120.7553 64.7126 37.3280 177.9038 47 D 4.5316 8.5559 119.8991 57.8168 40.6932 179.5136 48 R 3.8141 7.8093 117.9562 59.0525 29.9756 179.1980 49 W 4.3976 8.2964 118.6919 59.3720 28.9108 178.7588 50 L 4.0124 8.4130 119.5240 57.5341 41.0501 179.2216 51 A 4.0405 7.8849 120.3331 55.3028 18.1314 179.4133 52 E 3.9859 7.8860 115.8541 59.4528 29.6111 178.5049 53 C 4.1817 7.4405 113.5370 58.8379 28.5106 173.9500 54 G 3.8313 8.0581 109.3158 46.4531 0.0000 173.3746 55 S 4.5106 8.1024 115.8524 57.5496 65.3533 171.4563 56 D 4.5111 7.9670 117.3851 52.6364 41.2160 176.2508 57 K 3.7649 8.5403 117.8191 59.5164 32.2963 177.5524 58 A 4.1977 7.6843 120.1924 52.9172 18.5846 176.8819 59 H 4.8545 8.2155 113.8478 55.4370 30.1851 173.0388 60 V 4.3224 7.8202 118.7439 62.1494 32.6646 175.2771 61 L 4.4566 8.9855 127.0628 56.6633 43.4042 176.3479 62 D 5.2173 7.8571 116.8987 52.7142 45.1663 173.8566 63 A 5.2023 9.3748 127.0357 50.2397 22.6123 174.6462 64 V 4.4138 8.9048 123.4688 61.1695 33.8674 174.4079 65 I 4.6117 8.6878 129.6566 59.7848 39.4383 174.1096 66 Y 5.2003 9.0414 125.8676 56.4405 39.9359 174.7978 67 L 5.1408 8.5639 124.3481 52.9135 44.0586 177.7436 68 R 4.1296 8.6484 123.6699 58.7514 30.8687 175.3379 69 D 5.0400 7.0893 116.1992 51.8279 43.8534 174.8833 *71 G 3.9661 8.5958 104.8929 45.6157 0.0000 173.0412 72 D 4.7558 8.0790 119.1623 54.2185 41.3367 177.4474 73 Y 4.2904 8.3165 121.2726 60.8432 38.9975 177.5223 74 A 3.9730 8.1390 121.9591 55.1903 18.6693 179.1404 75 E 3.8561 7.8296 111.8577 57.2948 29.2849 177.9787 *77 N 4.5626 8.2769 117.1169 52.8447 41.0149 176.8709 78 G 3.6762 8.1269 104.9191 47.9498 0.0000 175.9539 79 V 3.7454 7.4110 120.6781 65.1570 31.7148 177.6340 80 W 4.2987 8.3185 127.7048 60.9787 30.2832 177.4316 81 D 4.4106 8.6933 117.2335 57.3967 40.3062 178.4148 82 A 4.1506 7.5405 119.1430 54.3751 18.5289 179.0241 83 W 4.2244 7.8903 126.6292 59.0209 31.2171 177.3927 84 V 2.8444 6.7032 116.8939 60.8008 31.6461 175.4280 85 A 3.9308 7.7554 124.8018 50.9090 18.8838 177.0386 86 A 4.1084 8.3370 126.7434 53.8033 18.7810 177.9892 87 G 4.0310 8.9757 110.1420 45.8263 0.0000 173.5735 88 R 4.6612 7.5728 118.6195 55.6703 31.1800 175.6718 89 T 4.0924 7.8654 107.6995 60.6742 69.9335 172.6752 90 P 4.7820 0.0000 0.0000 61.6972 33.4544 175.2032 91 A 4.3172 8.8256 121.8123 52.1775 19.3439 176.8193 92 R 5.1312 8.4531 120.2197 54.6616 33.6431 174.0577 93 A 4.7038 8.7672 126.3831 50.2264 22.7471 174.2625 94 C 5.0944 8.6240 121.4630 57.6679 34.2157 173.4335 95 V 4.5310 8.5326 118.0622 59.7042 36.2514 173.9058 96 E 5.0450 8.7354 123.4928 55.3198 30.3733 174.7134 97 A 4.8095 8.9302 128.4192 50.2144 22.9425 175.7745 98 R 4.0617 8.7088 120.1833 56.1330 30.8896 175.8939 99 L 4.7881 8.0029 119.5771 52.4169 44.8201 176.3708 100 A 4.0594 8.9237 121.5825 54.6753 18.4288 178.1413 101 R 4.3085 6.4891 112.8863 53.3047 33.1276 175.0780 102 P 4.2558 0.0000 0.0000 65.3724 31.5149 177.7373 103 E 4.1607 7.7800 116.0659 57.6668 29.8558 176.6698 104 W 4.6222 7.7099 119.7872 56.7864 29.3459 176.1516 105 R 4.7201 9.6356 123.0311 56.5780 31.2933 176.5782 106 V 5.0206 7.5438 117.4335 60.3578 34.4917 173.3555 107 E 4.6678 9.6713 124.5704 54.5369 32.9549 173.9073 108 I 4.8852 8.5046 126.9750 59.3232 40.0849 174.5573 109 K 4.6361 9.1883 128.6354 54.6842 34.4895 174.6393 110 I 5.1316 8.4569 127.4353 59.8284 40.6817 174.4019 111 T 4.8684 9.0922 122.6260 61.8310 71.6657 173.1841 112 A 4.9606 9.0782 127.2277 50.4379 23.4317 174.4339 113 V 4.8558 8.2552 110.5897 59.2321 34.6740 176.8421 114 K 4.1923 8.8997 124.0529 56.7095 32.6830 177.1575 115 R 4.0232 8.6054 123.8763 55.9397 30.5353 176.7309 116 D 4.3904 8.7018 123.4096 54.3334 41.6690 176.2854 117 A 4.2310 8.4353 124.2265 52.4668 18.8488 177.3063 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 D 8.36 4.61 0.00 2.67 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 3 I 8.20 4.16 1.72 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 1.17 0.59 0.28 0.00 0.00 4 R 9.43 4.46 0.00 1.76 1.68 0.00 2.97 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.29 0.00 5 Y 8.47 5.12 0.00 2.79 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 6 F 9.64 4.72 0.00 2.94 3.16 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 7 G 8.64 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 8 T 7.67 4.17 4.18 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 1.07 0.00 0.00 9 T 8.31 4.51 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 0.63 0.00 0.00 10 P 0.00 4.12 0.00 2.04 2.13 0.00 3.56 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 11 R 7.83 4.47 0.00 1.83 2.07 0.00 3.49 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 12 Y 7.03 4.86 0.00 3.26 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 13 S 8.38 5.03 0.00 3.91 4.18 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 14 E 8.47 4.05 0.00 1.16 1.12 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 2.22 1.87 0.00 15 A 8.09 5.14 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 16 V 9.33 4.92 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 0.68 0.00 0.00 1.09 0.00 0.00 17 G 9.06 4.71 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 0.00 18 A 9.33 4.74 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 19 N 9.97 4.15 0.00 2.83 2.89 0.00 0.00 7.13 7.98 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 20 G 8.24 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 21 L 7.69 4.72 0.00 1.86 1.33 1.03 0.49 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 I 8.63 4.94 1.77 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 1.18 0.89 0.84 0.00 0.00 23 F 9.54 4.94 0.00 2.92 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 24 L 8.67 4.94 0.00 1.73 1.61 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.63 4.27 0.00 3.68 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.60 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 0.00 0.00 0.00 0.00 *28 V 7.98 3.51 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 0.35 0.00 0.00 29 P 0.00 4.28 0.00 1.92 1.95 0.00 2.63 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 30 E 9.23 4.57 0.00 2.01 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 2.26 2.18 0.00 31 N 7.88 4.92 0.00 2.82 2.67 0.00 0.00 7.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.88 4.18 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 0.00 33 E 9.43 4.54 0.00 1.90 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 2.26 2.23 0.00 34 T 7.84 4.32 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 1.23 0.00 0.00 35 A 8.62 3.97 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 36 A 8.99 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.08 3.92 0.00 2.23 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 2.33 2.36 0.00 38 Q 8.41 4.14 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 39 T 8.11 3.77 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 40 A 7.74 3.89 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 41 D 8.04 4.22 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 42 V 7.86 3.53 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 0.88 0.00 0.00 0.83 0.00 0.00 43 L 7.98 3.50 0.00 1.14 0.13 0.50 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.83 4.05 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 45 Q 7.95 3.93 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 46 I 7.76 3.83 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.77 1.14 0.00 0.00 47 D 8.56 4.53 0.00 2.95 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 48 R 7.81 3.81 0.00 1.66 1.52 0.00 2.96 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 49 W 8.30 4.40 0.00 3.42 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 50 L 8.41 4.01 0.00 1.94 1.70 1.07 1.11 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 51 A 7.88 4.04 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 52 E 7.89 3.99 0.00 2.19 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 2.26 2.22 0.00 53 C 7.44 4.18 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.06 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 55 S 8.10 4.51 0.00 3.74 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 56 D 7.97 4.51 0.00 2.82 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 57 K 8.54 3.76 0.00 0.79 1.45 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.50 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.06 0.88 7.81 58 A 7.68 4.20 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 59 H 8.22 4.85 0.00 3.29 3.33 0.00 5.80 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.82 4.32 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 1.01 0.00 0.00 1.09 0.00 0.00 61 L 8.99 4.46 0.00 1.68 1.67 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.86 5.22 0.00 2.76 2.46 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 63 A 9.37 5.20 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 64 V 8.90 4.41 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 0.26 0.00 0.00 0.88 0.00 0.00 65 I 8.69 4.61 1.59 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.46 0.77 0.00 0.00 66 Y 9.04 5.20 0.00 2.86 2.84 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 67 L 8.56 5.14 0.00 1.64 1.72 1.04 0.53 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 68 R 8.65 4.13 0.00 2.04 2.01 0.00 3.20 0.00 0.00 3.04 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.45 0.00 69 D 7.09 5.04 0.00 2.70 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 *71 G 8.60 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.08 4.76 0.00 2.94 2.72 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 73 Y 8.32 4.29 0.00 2.82 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 74 A 8.14 3.97 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 75 E 7.83 3.86 0.00 2.09 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 2.37 2.29 0.00 *77 N 8.28 4.56 0.00 2.79 2.76 0.00 0.00 6.90 7.61 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 78 G 8.13 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 79 V 7.41 3.75 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 1.00 0.00 0.00 1.01 0.00 0.00 80 W 8.32 4.30 0.00 3.47 3.21 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 81 D 8.69 4.41 0.00 2.73 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 82 A 7.54 4.15 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 83 W 7.89 4.22 0.00 3.24 3.27 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 84 V 6.70 2.84 1.61 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 0.59 0.00 0.00 0.40 0.00 0.00 85 A 7.76 3.93 1.02 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 0.00 0.00 86 A 8.34 4.11 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 87 G 8.98 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 0.00 0.00 0.00 88 R 7.57 4.66 0.00 1.64 1.75 0.00 3.07 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 89 T 7.87 4.09 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 1.23 0.00 0.00 90 P 0.00 4.78 0.00 2.25 2.35 0.00 4.01 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 91 A 8.83 4.32 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 92 R 8.45 5.13 0.00 1.83 1.70 0.00 2.21 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.25 0.00 93 A 8.77 4.70 1.11 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 94 C 8.62 5.09 0.00 2.87 2.84 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 95 V 8.53 4.53 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 0.69 0.00 0.00 1.02 0.00 0.00 96 E 8.74 5.04 0.00 2.04 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 2.35 2.42 0.00 97 A 8.93 4.81 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 98 R 8.71 4.06 0.00 1.80 1.86 0.00 3.15 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 99 L 8.00 4.79 0.00 1.87 1.87 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.92 4.06 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 0.00 101 R 6.49 4.31 0.00 0.67 1.29 0.00 2.78 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 102 P 0.00 4.26 0.00 1.96 2.05 0.00 3.44 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 103 E 7.78 4.16 0.00 2.02 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 2.29 2.33 0.00 104 W 7.71 4.62 0.00 3.44 3.02 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 0.00 105 R 9.64 4.72 0.00 1.88 2.00 0.00 3.17 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 106 V 7.54 5.02 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 0.59 0.00 0.00 0.91 0.00 0.00 107 E 9.67 4.67 0.00 2.02 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 2.29 2.22 0.00 108 I 8.50 4.89 1.84 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 1.13 0.74 0.93 0.00 0.00 109 K 9.19 4.64 0.00 1.92 1.71 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 110 I 8.46 5.13 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 0.99 0.00 0.00 111 T 9.09 4.87 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 0.64 0.00 0.00 112 A 9.08 4.96 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 0.00 113 V 8.26 4.86 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 0.68 0.00 0.00 1.02 0.00 0.00 114 K 8.90 4.19 0.00 1.71 1.74 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.47 7.81 115 R 8.61 4.02 0.00 1.59 1.78 0.00 3.07 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.36 0.00 116 D 8.70 4.39 0.00 2.66 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 0.00 117 A 8.44 4.23 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 * Residues marked with a * may have inaccurate shift predictions.