NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5555 8.1633 120.2795 55.2312 33.9023 174.5054 2 D 4.8363 8.7104 122.7091 52.1873 42.2302 170.6937 3 V 4.5101 9.2901 122.1649 59.8465 35.5400 174.0193 4 F 4.9640 8.9811 121.1689 55.8599 41.7252 174.6161 5 L 5.1705 9.0884 123.6715 53.2470 45.6475 175.5661 6 M 4.3587 8.6809 119.8364 53.6430 34.0622 172.9345 7 I 4.3632 8.8666 126.3992 60.7317 38.5612 175.0352 8 R 5.0533 9.4097 127.5994 54.4082 33.6732 175.2819 9 R 4.3534 9.1724 122.5803 57.0284 33.9168 173.5256 10 H 3.9098 10.1131 118.9154 58.1167 25.9350 173.5878 11 K 3.8855 8.1515 115.7148 57.0915 30.7467 174.8762 12 T 4.6625 7.6819 115.6314 62.1516 70.5960 173.5463 13 T 4.8104 8.2334 118.8004 61.4535 70.3990 172.3792 14 I 4.4906 8.9272 130.7894 59.8312 39.4754 174.6336 15 F 5.1290 8.8799 125.6701 56.4130 40.2877 174.9032 16 T 4.8171 8.6579 117.5903 61.1721 71.5711 171.1944 17 D 5.2178 8.0283 122.6063 51.4859 43.0268 173.9297 18 A 4.2689 7.6112 118.1135 51.2706 23.3389 175.8174 19 K 4.5182 8.0304 118.3048 55.8549 33.1962 178.5892 20 E 3.9214 9.3413 124.7640 59.0190 29.7332 178.7016 21 S 4.3582 7.8924 110.9907 58.8842 63.9764 174.3087 22 S 4.3575 8.0097 117.2634 58.7175 63.0650 172.7822 23 T 5.0485 9.4405 115.4516 59.6803 71.0026 175.6283 24 V 3.5703 8.8427 123.1542 66.5120 31.4341 178.3346 25 F 4.0266 8.2760 120.0450 61.4064 39.3060 177.0380 26 E 3.8865 8.1518 117.7094 58.9663 29.1389 179.1172 27 L 3.8925 7.6149 120.3476 57.9177 42.2485 178.8949 28 K 4.2333 7.5002 119.3946 58.6261 31.8418 179.5605 29 R 3.7029 7.3227 118.2430 59.3931 29.9122 178.9947 30 I 3.6719 7.5069 119.3673 64.5056 36.9990 178.7136 31 V 3.5922 7.7927 119.0778 65.6699 31.3114 177.6461 32 E 4.3970 7.6772 120.6422 58.8213 29.2971 178.9351 33 G 3.7140 7.7925 104.2008 48.2196 0.0000 175.2057 34 I 4.0246 7.2767 121.2857 63.4685 37.3948 176.8034 35 L 4.4098 8.3737 118.1620 53.8612 41.8393 177.8150 36 K 3.8799 7.8171 115.5780 56.6075 29.4483 173.3857 37 R 4.3467 7.2801 116.7735 54.1280 34.5618 173.2938 38 P 5.2021 0.0000 0.0000 61.4094 32.3668 175.3607 39 P 4.2201 0.0000 0.0000 65.9290 31.3269 178.3162 40 D 4.5297 8.1614 115.2805 55.5731 39.1162 176.5281 41 E 4.4897 8.6188 119.4549 56.2287 30.0905 175.0887 42 Q 5.1970 8.1579 117.9065 54.3868 32.2567 174.6103 43 R 4.7113 8.9811 119.8170 54.4320 33.8944 174.3891 44 L 5.2526 8.3510 122.6262 53.3370 44.5478 175.2567 45 Y 5.1371 9.0835 120.7007 56.3070 41.9671 175.0742 46 K 4.7242 8.5623 120.7951 54.9715 33.7421 175.3670 47 D 4.6186 9.0273 129.6841 55.3292 37.8473 173.9451 48 D 4.5484 8.3368 111.3767 55.2154 38.6027 174.4716 49 Q 4.4446 7.7117 120.4028 53.6540 30.2375 174.1680 50 L 3.7546 8.4585 127.7756 55.2906 42.6843 175.9421 51 L 4.7592 7.9249 125.2104 53.1869 44.0182 175.7869 52 D 4.6552 8.4632 122.2854 53.5741 41.9262 177.4338 53 D 4.5497 9.1565 123.1631 57.2295 41.0778 178.4536 54 G 3.8700 7.9399 105.6285 46.2905 0.0000 174.0739 55 K 4.4217 7.9488 121.0664 56.1771 33.0100 176.8318 56 T 4.6668 9.7453 114.6686 61.3476 71.1849 176.0979 57 L 4.3178 8.8622 123.3254 57.8924 41.6515 179.9784 58 G 3.8725 8.7999 106.2427 47.6100 0.0000 175.4816 59 E 4.0562 8.1723 120.2329 58.9931 29.5691 178.6516 60 C 4.3991 7.9114 113.5736 60.2974 28.2139 174.4616 61 G 3.6281 7.9317 109.5110 44.9221 0.0000 173.7623 62 F 4.5761 8.0326 119.9258 56.2396 38.8688 175.0150 63 T 4.9119 8.0269 114.9304 59.2276 71.7753 175.1901 64 S 4.4419 8.3642 116.2580 61.3891 62.7556 175.7206 65 Q 4.5161 7.5506 116.8933 56.1816 28.7131 176.2371 66 T 4.5259 7.7780 113.0513 63.1921 71.6116 174.0998 67 A 4.9099 8.6615 125.0482 50.3233 18.5308 174.9826 68 R 4.8827 7.6797 120.9422 53.4503 32.4218 176.0913 69 P 3.8390 0.0000 0.0000 65.9298 31.1964 178.0797 70 Q 4.1207 7.8704 113.5393 57.8682 29.1970 176.8900 71 A 4.7961 7.7722 120.3375 50.1187 20.3435 173.8960 72 P 4.8441 0.0000 0.0000 62.2351 32.7063 177.5759 73 A 4.4670 9.0884 123.6110 52.3184 20.0350 176.3771 74 T 4.8950 8.4921 116.6005 62.0482 70.5085 174.4108 75 V 4.5799 8.3995 125.7554 60.8985 34.3326 175.1577 76 G 3.9831 8.9069 115.3728 46.1408 0.0000 172.1101 77 L 5.4575 8.3522 122.9303 53.0507 45.6518 175.6500 78 A 4.6630 8.6137 125.3023 50.8378 22.7015 175.6921 79 F 5.7979 8.8397 124.2707 57.2893 42.6024 171.7644 80 R 4.0496 8.9665 124.8141 56.0085 29.8534 173.7505 81 A 4.4315 8.5427 125.7673 52.2300 17.8557 177.7585 82 D 4.6003 8.8196 115.4024 55.2998 40.7149 173.2786 83 D 4.6932 7.8678 120.9158 54.6140 39.3812 183.3435 84 T 3.4090 7.8610 115.3711 62.0721 65.3850 173.1756 *85 F 4.7863 7.9084 126.4524 56.3296 39.0446 174.8794 86 E 4.3017 8.4749 121.3556 55.6713 30.2472 176.5543 87 A 4.3042 8.3838 122.1803 51.1039 19.6884 177.3131 88 L 3.6884 8.2382 122.6876 55.2959 42.5612 175.9873 89 C 4.6615 8.5053 125.6059 57.6821 34.7907 172.2464 90 I 4.6521 8.1801 126.8205 59.2063 39.1367 175.2358 91 E 4.1611 8.7008 127.9852 55.2783 29.7530 175.6267 92 P 4.1737 0.0000 0.0000 62.3002 32.2459 175.7698 93 F 4.9100 8.0420 117.8587 56.3102 39.8264 175.6595 94 S 4.3620 8.5945 117.1639 58.9324 63.1384 173.5183 95 S 4.8117 8.1974 116.5314 55.7207 64.5124 172.9681 96 P 4.5831 0.0000 0.0000 61.9274 32.6949 176.7747 97 P 4.7464 0.0000 0.0000 61.2138 30.5427 175.9973 98 E 4.0512 8.9322 117.9110 56.4539 30.3970 173.5150 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 1 M 8.16 4.56 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 2 D 8.71 4.84 0.00 2.60 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 0.00 0.00 0.00 3 V 9.29 4.51 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 0.64 0.00 0.00 1.08 0.00 0.00 4 F 8.98 4.96 0.00 3.23 3.11 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 5 L 9.09 5.17 0.00 1.39 1.34 0.58 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.68 4.36 0.00 1.88 1.64 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 2.20 0.00 7 I 8.87 4.36 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.23 0.82 0.00 0.00 8 R 9.41 5.05 0.00 1.50 1.66 0.00 3.04 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 9 R 9.17 4.35 0.00 1.78 1.50 0.00 2.85 0.00 0.00 2.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 10 H 10.11 3.91 0.00 3.12 3.27 0.00 6.05 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 11 K 8.15 3.89 0.00 1.89 1.92 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 12 T 7.68 4.66 4.39 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 1.23 0.00 0.00 13 T 8.23 4.81 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 1.43 0.00 0.00 14 I 8.93 4.49 1.82 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 1.26 0.43 0.92 0.00 0.00 15 F 8.88 5.13 0.00 2.91 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 16 T 8.66 4.82 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 1.15 0.00 0.00 17 D 8.03 5.22 0.00 2.06 2.30 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 18 A 7.61 4.27 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 19 K 8.03 4.52 0.00 1.67 1.71 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.36 7.81 20 E 9.34 3.92 0.00 2.12 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 2.34 2.53 0.00 21 S 7.89 4.36 0.00 4.02 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 22 S 8.01 4.36 0.00 3.80 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 0.00 23 T 9.44 5.05 4.48 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 1.25 0.00 0.00 24 V 8.84 3.57 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 1.00 0.00 0.00 1.08 0.00 0.00 25 F 8.28 4.03 0.00 3.35 3.09 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 0.00 0.00 0.00 0.00 26 E 8.15 3.89 0.00 2.18 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 2.45 2.44 0.00 27 L 7.61 3.89 0.00 1.76 1.58 0.72 0.39 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 28 K 7.50 4.23 0.00 1.62 1.65 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.40 7.81 29 R 7.32 3.70 0.00 1.87 1.86 0.00 3.24 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.70 0.00 30 I 7.51 3.67 1.94 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 1.36 0.80 0.88 0.00 0.00 31 V 7.79 3.59 2.38 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 1.17 0.00 0.00 0.95 0.00 0.00 32 E 7.68 4.40 0.00 2.19 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 0.00 2.29 2.18 0.00 33 G 7.79 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 34 I 7.28 4.02 1.99 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 1.54 0.71 0.94 0.00 0.00 35 L 8.37 4.41 0.00 1.83 1.91 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.82 3.88 0.00 1.81 1.75 0.00 1.74 0.00 0.00 1.97 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.52 7.81 37 R 7.28 4.35 0.00 1.70 1.51 0.00 2.62 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.00 38 P 0.00 5.20 0.00 2.17 1.97 0.00 3.83 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 2.08 2.04 0.00 39 P 0.00 4.22 0.00 2.33 1.88 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 40 D 8.16 4.53 0.00 2.82 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 41 E 8.62 4.49 0.00 2.12 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 2.27 2.22 0.00 42 Q 8.16 5.20 0.00 2.22 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 43 R 8.98 4.71 0.00 1.93 1.63 0.00 3.23 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 1.50 1.62 0.00 44 L 8.35 5.25 0.00 1.54 1.55 0.86 0.82 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 45 Y 9.08 5.14 0.00 2.88 2.89 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 46 K 8.56 4.72 0.00 1.96 1.65 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.66 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.29 1.37 7.81 47 D 9.03 4.62 0.00 2.88 2.73 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 0.00 0.00 0.00 0.00 48 D 8.34 4.55 0.00 2.85 2.86 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 49 Q 7.71 4.44 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 50 L 8.46 3.75 0.00 1.54 1.41 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.92 4.76 0.00 1.64 1.59 1.13 1.07 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 52 D 8.46 4.66 0.00 2.60 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 53 D 9.16 4.55 0.00 2.84 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 54 G 7.94 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 55 K 7.95 4.42 0.00 2.01 1.76 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.53 7.81 56 T 9.75 4.67 4.51 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 1.29 0.00 0.00 57 L 8.86 4.32 0.00 1.77 1.93 0.84 0.87 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 58 G 8.80 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 59 E 8.17 4.06 0.00 2.10 2.03 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 2.36 2.37 0.00 60 C 7.91 4.40 0.00 3.29 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 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 0.00 0.00 0.00 62 F 8.03 4.58 0.00 3.25 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 63 T 8.03 4.91 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 1.27 0.00 0.00 64 S 8.36 4.44 0.00 3.99 4.06 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 65 Q 7.55 4.52 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 66 T 7.78 4.53 4.48 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 1.26 0.00 0.00 67 A 8.66 4.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 4.88 0.00 1.90 1.84 0.00 3.19 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 69 P 0.00 3.84 0.00 1.68 1.56 0.00 3.41 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 70 Q 7.87 4.12 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.26 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 71 A 7.77 4.80 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 72 P 0.00 4.84 0.00 2.18 2.29 0.00 3.89 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 73 A 9.09 4.47 1.60 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 0.00 0.00 74 T 8.49 4.90 4.27 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 1.21 0.00 0.00 75 V 8.40 4.58 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 1.01 0.00 0.00 0.58 0.00 0.00 76 G 8.91 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 77 L 8.35 5.46 0.00 1.48 1.38 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.61 4.66 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 79 F 8.84 5.80 0.00 2.94 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 80 R 8.97 4.05 0.00 2.00 1.83 0.00 3.28 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 81 A 8.54 4.43 1.28 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 0.00 0.00 0.00 82 D 8.82 4.60 0.00 2.71 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 83 D 7.87 4.69 0.00 2.69 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 84 T 7.86 3.41 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 1.21 0.00 0.00 *85 F 7.91 4.79 0.00 2.06 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 0.00 0.00 0.00 86 E 8.47 4.30 0.00 1.95 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 2.61 2.31 0.00 87 A 8.38 4.30 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 88 L 8.24 3.69 0.00 0.72 1.16 0.63 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 C 8.51 4.66 0.00 2.91 2.59 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 0.00 0.00 0.00 0.00 90 I 8.18 4.65 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.72 0.00 0.00 91 E 8.70 4.16 0.00 1.89 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 2.24 2.23 0.00 92 P 0.00 4.17 0.00 2.13 1.98 0.00 3.69 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 1.96 1.94 0.00 93 F 8.04 4.91 0.00 3.11 2.86 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 94 S 8.59 4.36 0.00 4.00 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 95 S 8.20 4.81 0.00 3.88 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 96 P 0.00 4.58 0.00 2.18 2.07 0.00 3.79 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 2.00 1.97 0.00 97 P 0.00 4.75 0.00 2.20 1.61 0.00 3.88 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 98 E 8.93 4.05 0.00 2.10 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 2.18 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.