NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.5829 8.3016 107.8458 45.7187 0.0000 173.3271 4 L 4.0567 8.4763 125.1545 54.2401 43.2338 170.2976 5 V 4.8488 8.8042 127.1216 60.9834 34.8352 173.7901 6 A 4.8825 9.0208 129.4331 50.1490 22.1810 175.0054 7 S 5.2067 8.5368 115.9533 57.5554 66.5899 175.1487 8 N 4.4912 8.9610 115.9643 53.3952 37.8289 174.5992 9 L 3.9366 7.5864 118.2491 56.2167 41.1842 176.2457 10 N 5.1778 8.5734 123.4505 51.5525 37.3683 173.4032 11 L 4.4935 9.1233 127.1896 54.7527 43.1830 176.0896 12 K 5.0059 9.5541 123.9922 53.7068 34.9154 174.3129 13 P 3.1743 0.0000 0.0000 64.3109 31.6099 175.8070 14 G 3.9925 8.5146 110.9473 45.3903 0.0000 173.9809 15 E 4.3018 8.1335 118.6776 56.3151 31.2258 175.5340 16 C 4.8779 9.0753 122.7804 57.5732 34.3247 172.1578 17 L 4.7617 8.7113 128.8830 53.2925 43.1955 175.0984 18 K 4.6598 8.5880 128.2422 54.5861 34.6054 174.7698 19 V 4.6679 8.7449 127.3424 61.0026 34.4499 174.0237 20 R 5.1341 8.3377 127.1443 54.8552 33.5272 174.1983 21 G 3.7122 9.0166 111.9241 45.6066 0.0000 171.1370 22 E 5.1787 8.2267 117.9463 54.1540 32.0980 175.7088 23 L 4.7368 9.1583 124.1396 54.1490 43.1418 176.6628 24 A 4.2245 8.4511 124.7036 51.4694 19.0864 176.9994 25 P 4.5404 0.0000 0.0000 64.7839 31.6155 176.8253 26 D 4.7928 7.6057 117.0094 51.7810 39.7498 175.7947 27 A 3.9461 7.9295 121.9832 54.2676 18.7054 178.1529 28 K 4.3768 9.8028 123.2368 57.6077 33.3890 177.1938 29 S 5.3578 7.5818 111.4314 58.0416 64.2351 175.2904 30 F 5.5212 7.6213 115.8904 55.5276 41.7850 173.3067 31 V 4.5779 9.8473 119.3453 61.1656 35.5801 174.1088 32 L 5.1056 8.6017 126.1657 53.7528 45.3930 174.4889 33 N 5.6583 9.5266 124.3748 51.5065 41.7629 173.7901 34 L 5.2420 9.4463 122.4501 52.0005 45.7103 176.7307 35 G 4.2465 7.9765 109.6856 46.9648 0.0000 174.6732 36 K 4.1629 8.7590 120.3461 57.9240 33.3730 175.7620 37 D 3.8655 7.3441 115.9814 51.6943 41.7406 175.8508 38 S 3.8278 7.7244 113.6474 60.9116 62.6416 174.9305 39 N 4.6183 8.2658 116.3895 53.1606 39.0511 173.8516 40 N 5.4033 8.0935 116.5406 51.0581 40.0866 171.3290 41 L 5.1574 8.5055 121.6593 53.1290 43.4706 176.9596 42 C 4.3967 9.0212 119.3389 60.0264 30.9011 173.7787 43 L 4.5691 7.7910 121.7798 53.8434 45.5805 173.8389 44 H 5.1938 9.1316 126.1188 54.5594 32.3260 172.0877 45 F 4.3146 9.2342 130.5518 56.9359 39.8112 173.0536 46 N 4.9992 8.4041 126.2945 49.5580 38.7561 169.9361 47 P 4.4754 0.0000 0.0000 61.8567 33.5189 175.7915 48 R 4.6332 9.0018 123.4288 54.4510 31.7682 176.7501 49 F 3.9036 9.2916 124.1651 60.3597 40.2962 174.4664 50 N 4.9804 8.4172 112.8031 53.5553 41.3248 173.5293 51 A 4.2754 9.1228 126.2335 52.6764 22.6207 176.2725 52 H 3.8109 9.8556 116.4726 56.6867 26.3207 176.0022 53 G 3.9658 8.5975 106.1022 45.1836 0.0000 173.2287 54 D 4.8909 8.0340 119.2452 52.0104 43.5203 175.0013 55 A 4.8821 8.0816 124.9034 51.6230 22.0655 175.6362 56 N 2.0000 7.9620 118.0757 53.5393 36.9850 174.5543 57 T 4.6062 7.1339 110.9439 60.3991 71.7671 172.8192 58 I 4.3328 8.3011 128.6621 60.0506 39.1777 174.6592 59 V 4.4235 8.0494 127.0910 61.2699 33.7597 174.3036 60 C 5.6321 8.3183 124.8984 57.6528 31.8547 172.1297 61 N 5.1506 7.4837 117.8795 53.6772 42.2355 172.6658 62 S 5.3996 8.6424 114.1371 56.3993 67.3719 172.6841 63 K 4.9234 9.1458 122.0033 54.6418 35.2799 174.1138 64 D 4.9101 8.9297 127.2162 52.5575 43.4793 175.3984 65 D 4.2948 10.2915 127.8319 55.1020 40.2646 174.4103 66 G 3.7917 8.3593 107.0391 44.7577 0.0000 174.0665 67 T 4.3518 7.4945 110.7486 59.3421 70.3741 174.4609 68 W 4.7495 8.5226 125.1304 57.2471 29.9790 176.4671 69 G 4.4115 8.7508 110.1836 45.7122 0.0000 172.7802 70 T 4.4306 8.5248 117.5897 63.2921 69.3269 174.7906 71 E 4.4876 8.8077 125.8558 56.2648 30.7637 175.8664 72 Q 4.6187 8.9406 124.5736 54.4537 31.8158 174.0794 73 R 4.9941 8.6652 125.1655 54.4955 32.8435 175.2552 74 E 4.4370 8.6168 122.5435 54.6930 31.6808 177.4004 75 T 3.7619 8.6260 118.7212 64.5585 67.8952 174.9147 76 A 4.1384 7.7193 123.5290 52.8045 18.9309 177.8615 77 F 4.7171 8.2086 123.4094 56.9773 40.8201 172.4157 78 P 4.4957 0.0000 0.0000 61.8948 31.1403 176.8929 79 F 5.1938 7.1559 114.9973 56.6140 42.8869 175.2857 80 Q 4.9089 8.7806 121.0193 53.5589 32.5057 173.6065 81 P 4.1418 0.0000 0.0000 63.2491 31.9520 175.6519 82 G 4.2098 8.7575 107.0012 46.9746 0.0000 172.9601 83 S 4.8179 7.7011 111.3105 56.5617 67.5125 172.1818 84 I 5.0608 8.3260 120.2924 59.9937 39.1898 175.3423 85 T 4.9849 9.0086 115.7752 60.7913 72.8256 171.8958 86 E 5.1816 8.6411 117.4962 55.7270 32.6980 174.7767 87 V 4.4312 8.5495 120.5743 61.4671 35.6216 173.3490 *89 I 4.3047 8.1614 118.5395 61.8721 38.6001 175.2043 90 T 5.3646 8.5860 121.6750 61.0057 73.0535 172.4594 91 F 5.4893 8.3499 116.0195 56.8265 40.0203 172.4778 92 D 4.4207 8.8532 117.2819 52.2051 42.3040 176.4943 93 Q 4.3502 9.1246 118.0402 58.6466 28.2052 178.6375 94 A 3.8013 7.5099 118.9940 54.8364 18.4640 177.7690 95 D 5.1556 7.8792 110.9519 52.2115 44.0603 174.2183 96 L 4.7862 9.2589 118.7327 54.0805 44.3860 176.6630 97 T 4.7263 8.7762 118.0906 61.9138 71.3802 173.1843 98 I 4.0615 7.8151 128.5722 60.1565 38.5908 175.1312 99 K 4.4386 8.2630 128.3960 54.4133 33.6870 175.7115 100 L 4.3354 8.4270 128.0791 53.4672 42.3285 176.7988 101 P 4.2776 0.0000 0.0000 65.5891 31.1945 176.7390 102 D 4.5111 7.7447 116.8649 53.3918 39.4828 176.3795 103 G 4.3572 7.9913 115.2986 46.6095 0.0000 174.5663 104 H 4.5837 7.5076 117.0550 54.4073 29.4692 174.1293 105 E 5.0915 8.5265 118.0524 54.4844 32.7234 174.2977 106 F 5.1936 8.0485 114.2483 55.3044 42.0026 173.3424 107 K 5.2184 8.9494 117.4668 54.6789 35.4502 175.7380 108 F 5.0187 9.0071 124.4850 55.5633 42.5688 172.2101 109 P 4.4125 0.0000 0.0000 62.5323 31.6050 176.9861 110 N 4.7751 8.3570 123.1275 52.1514 37.5474 175.1781 111 R 3.9285 8.0386 121.9527 59.6189 30.6692 178.7926 112 L 4.0902 7.9924 113.9493 55.3595 41.7241 176.3025 113 N 4.2537 8.1402 117.0209 54.4265 37.9197 173.6413 114 M 4.4948 8.1777 111.8934 54.3081 32.9507 175.1063 115 E 4.7687 8.2715 119.8159 55.4768 30.2201 175.0449 116 A 5.3398 7.4789 114.1625 51.6129 21.2514 176.9003 117 I 4.0209 7.8437 124.5842 61.9596 38.3147 176.5688 118 N 5.8723 9.5117 121.1707 51.4583 41.7411 173.3236 119 Y 5.3034 8.0109 119.6083 56.0591 42.6261 173.6922 120 M 5.5309 8.2779 123.1101 54.0702 36.5853 173.3970 121 A 4.9828 8.2335 125.1833 50.6726 23.1003 174.6856 122 A 5.2736 8.9016 124.2125 50.6955 21.8537 175.2516 123 D 4.7064 9.2547 119.4656 54.1930 45.5887 175.4810 124 G 4.0062 8.8059 107.2415 44.9981 0.0000 173.2337 125 D 4.8287 8.5765 116.0786 53.1198 39.1933 176.8427 126 F 5.0095 7.7680 119.3251 56.5457 42.9640 174.1836 127 K 4.2446 8.2330 128.4038 54.3457 33.6329 175.3956 128 I 3.8646 8.0041 128.9691 61.4388 37.3990 176.2485 129 K 4.3009 8.7669 124.2882 56.3949 33.8468 176.2907 *131 V 3.9580 7.6980 119.5592 62.6321 32.3041 174.2271 132 A 4.7550 8.8008 128.9158 50.2457 22.8431 174.6861 133 F 5.2567 8.9252 118.1677 55.0062 40.1942 175.1744 134 E 4.4014 8.9249 121.0566 56.1064 29.6637 176.1732 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 3 G 8.30 4.58 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 0.00 4 L 8.48 4.06 0.00 1.86 1.56 0.92 0.48 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 5 V 8.80 4.85 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 1.00 0.00 0.00 1.04 0.00 0.00 6 A 9.02 4.88 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 7 S 8.54 5.21 0.00 3.97 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 8 N 8.96 4.49 0.00 2.96 3.06 0.00 0.00 7.01 7.49 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 9 L 7.59 3.94 0.00 1.81 1.83 1.05 0.71 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 10 N 8.57 5.18 0.00 2.78 2.92 0.00 0.00 6.32 7.79 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 11 L 9.12 4.49 0.00 1.70 1.94 1.13 0.93 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 12 K 9.55 5.01 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.63 7.81 13 P 0.00 3.17 0.00 1.80 1.59 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 14 G 8.51 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 15 E 8.13 4.30 0.00 2.14 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 2.37 2.46 0.00 16 C 9.08 4.88 0.00 2.96 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 17 L 8.71 4.76 0.00 1.62 1.49 0.48 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.59 4.66 0.00 1.79 1.54 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.31 7.81 19 V 8.74 4.67 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 1.12 0.00 0.00 0.86 0.00 0.00 20 R 8.34 5.13 0.00 1.89 1.69 0.00 3.26 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 21 G 9.02 3.71 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 22 E 8.23 5.18 0.00 1.93 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 2.12 2.10 0.00 23 L 9.16 4.74 0.00 1.55 1.55 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.45 4.22 1.22 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 0.00 0.00 0.00 25 P 0.00 4.54 0.00 2.02 2.11 0.00 3.58 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 26 D 7.61 4.79 0.00 2.69 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 27 A 7.93 3.95 0.57 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 28 K 9.80 4.38 0.00 2.01 1.90 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.43 7.81 29 S 7.58 5.36 0.00 4.11 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 30 F 7.62 5.52 0.00 3.31 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 31 V 9.85 4.58 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 1.06 0.00 0.00 0.93 0.00 0.00 32 L 8.60 5.11 0.00 1.92 1.52 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.53 5.66 0.00 2.72 2.87 0.00 0.00 6.33 6.70 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 34 L 9.45 5.24 0.00 1.54 1.46 0.85 0.55 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 35 G 7.98 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 0.00 0.00 0.00 0.00 36 K 8.76 4.16 0.00 1.71 1.83 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 D 7.34 3.87 0.00 2.51 2.54 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 38 S 7.72 3.83 0.00 3.93 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 39 N 8.27 4.62 0.00 2.64 2.81 0.00 0.00 6.61 6.52 0.00 0.00 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 N 8.09 5.40 0.00 2.62 2.64 0.00 0.00 6.85 6.34 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 41 L 8.51 5.16 0.00 1.70 1.79 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 42 C 9.02 4.40 0.00 3.05 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 43 L 7.79 4.57 0.00 1.75 1.48 0.59 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.13 5.19 0.00 3.55 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.23 4.31 0.00 3.04 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 46 N 8.40 5.00 0.00 2.39 2.47 0.00 0.00 6.81 7.33 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 47 P 0.00 4.48 0.00 1.47 1.48 0.00 2.75 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 48 R 9.00 4.63 0.00 1.60 1.84 0.00 3.03 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 49 F 9.29 3.90 0.00 3.35 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 50 N 8.42 4.98 0.00 2.71 2.73 0.00 0.00 7.05 7.51 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 51 A 9.12 4.28 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 52 H 9.86 3.81 0.00 3.27 3.33 0.00 5.69 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 53 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 54 D 8.03 4.89 0.00 2.73 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.96 2.00 0.00 2.41 2.12 0.00 0.00 6.66 7.07 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 57 T 7.13 4.61 4.10 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 1.12 0.00 0.00 58 I 8.30 4.33 1.70 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.71 0.51 0.00 0.00 59 V 8.05 4.42 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 0.88 0.00 0.00 0.79 0.00 0.00 60 C 8.32 5.63 0.00 3.06 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 0.00 0.00 0.00 0.00 61 N 7.48 5.15 0.00 2.71 2.76 0.00 0.00 6.41 7.63 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 62 S 8.64 5.40 0.00 4.18 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 63 K 9.15 4.92 0.00 1.19 1.42 0.00 1.11 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 0.89 7.81 64 D 8.93 4.91 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 10.29 4.29 0.00 2.71 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 66 G 8.36 3.79 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 0.00 0.00 0.00 67 T 7.49 4.35 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 1.19 0.00 0.00 68 W 8.52 4.75 0.00 3.21 3.13 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 0.00 69 G 8.75 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 70 T 8.52 4.43 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 1.23 0.00 0.00 71 E 8.81 4.49 0.00 1.83 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 2.21 2.22 0.00 72 Q 8.94 4.62 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 73 R 8.67 4.99 0.00 1.64 1.72 0.00 3.14 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 74 E 8.62 4.44 0.00 1.39 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 1.62 1.47 0.00 75 T 8.63 3.76 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 1.16 0.00 0.00 76 A 7.72 4.14 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 77 F 8.21 4.72 0.00 2.97 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 78 P 0.00 4.50 0.00 1.86 2.02 0.00 3.22 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.78 0.00 79 F 7.16 5.19 0.00 2.16 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 80 Q 8.78 4.91 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 81 P 0.00 4.14 0.00 2.00 1.82 0.00 3.91 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.59 0.00 82 G 8.76 4.21 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 0.00 83 S 7.70 4.82 0.00 3.89 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 84 I 8.33 5.06 1.88 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 1.36 0.63 0.93 0.00 0.00 85 T 9.01 4.98 4.49 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 1.42 0.00 0.00 86 E 8.64 5.18 0.00 2.15 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 2.20 2.32 0.00 87 V 8.55 4.43 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 0.62 0.00 0.00 0.95 0.00 0.00 *89 I 8.16 4.30 1.78 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.22 0.86 0.00 0.00 90 T 8.59 5.36 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 1.28 0.00 0.00 91 F 8.35 5.49 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 92 D 8.85 4.42 0.00 2.72 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 93 Q 9.12 4.35 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.91 0.00 94 A 7.51 3.80 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 95 D 7.88 5.16 0.00 3.05 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 96 L 9.26 4.79 0.00 1.77 1.69 1.22 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.78 4.73 4.21 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 1.21 0.00 0.00 98 I 7.82 4.06 0.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.11 0.50 0.00 0.00 99 K 8.26 4.44 0.00 1.64 1.62 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.46 7.81 100 L 8.43 4.34 0.00 2.01 1.43 1.13 0.96 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 0.00 101 P 0.00 4.28 0.00 2.15 2.36 0.00 3.61 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 1.78 1.97 0.00 102 D 7.74 4.51 0.00 2.69 2.63 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 0.00 103 G 7.99 4.36 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 0.00 104 H 7.51 4.58 0.00 3.47 3.49 0.00 5.40 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.53 5.09 0.00 2.07 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 2.18 2.26 0.00 106 F 8.05 5.19 0.00 3.22 3.22 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 0.00 107 K 8.95 5.22 0.00 1.72 1.81 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.45 7.81 108 F 9.01 5.02 0.00 3.27 2.97 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 0.00 109 P 0.00 4.41 0.00 1.95 1.92 0.00 2.99 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.67 0.00 110 N 8.36 4.78 0.00 2.95 3.12 0.00 0.00 6.93 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 0.00 111 R 8.04 3.93 0.00 1.89 2.03 0.00 3.32 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 112 L 7.99 4.09 0.00 1.66 1.75 1.00 1.15 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 0.00 113 N 8.14 4.25 0.00 2.81 2.87 0.00 0.00 7.12 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 8.18 4.49 0.00 2.18 2.06 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 2.47 2.52 0.00 115 E 8.27 4.77 0.00 2.12 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 2.32 2.40 0.00 116 A 7.48 5.34 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 I 7.84 4.02 1.76 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.31 0.92 0.00 0.00 118 N 9.51 5.87 0.00 2.66 2.83 0.00 0.00 6.27 7.95 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 0.00 119 Y 8.01 5.30 0.00 3.14 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 0.00 120 M 8.28 5.53 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 121 A 8.23 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.90 5.27 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 0.00 123 D 9.25 4.71 0.00 2.82 2.58 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 0.00 124 G 8.81 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 0.00 0.00 0.00 125 D 8.58 4.83 0.00 2.69 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 0.00 126 F 7.77 5.01 0.00 2.53 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 0.00 127 K 8.23 4.24 0.00 1.72 1.44 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.27 7.81 128 I 8.00 3.86 1.75 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 0.84 0.00 0.00 129 K 8.77 4.30 0.00 1.48 1.72 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.38 7.81 *131 V 7.70 3.96 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 0.43 0.00 0.00 0.88 0.00 0.00 132 A 8.80 4.75 1.15 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 0.00 0.00 133 F 8.93 5.26 0.00 2.86 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 0.00 134 E 8.92 4.40 0.00 2.06 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 2.17 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.