NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.5481 8.2033 121.9810 55.8587 31.7772 174.6368 2 V 4.7015 7.5698 109.4131 59.3052 36.0269 173.6046 3 Q 4.5473 9.8114 124.1486 54.8632 31.0988 174.4628 4 L 5.1777 8.3768 121.8349 52.8804 45.1507 176.0792 5 V 4.3266 8.4156 122.5762 61.2598 34.1046 174.5690 6 E 5.2389 8.8466 127.5652 56.1101 31.2123 175.4801 7 S 4.5298 9.1213 114.9144 58.3430 66.3815 175.5499 8 G 3.9196 9.3538 108.2596 45.0670 0.0000 174.3150 9 G 3.7634 7.6327 106.3129 46.1715 0.0000 173.4033 10 G 4.0614 7.5402 105.2440 46.6753 0.0000 170.8244 11 S 5.3780 8.3972 115.7202 56.8565 64.6839 174.3947 12 V 4.5365 8.8505 124.0449 60.9126 35.3772 174.7116 13 Q 4.8242 8.8220 123.8323 54.6129 30.1215 175.5989 14 A 4.3031 8.1110 125.3297 54.1528 18.8105 178.3924 15 G 3.9236 9.6199 112.2580 44.9311 0.0000 173.8338 16 G 4.0192 7.8514 107.2431 45.6035 0.0000 172.6340 17 S 5.3394 8.2781 114.0057 56.9811 67.0885 173.3185 18 L 4.5768 8.4867 122.1895 53.8703 45.8831 173.9648 19 R 4.7943 8.3812 125.1310 54.5911 32.1555 174.7185 20 L 4.7904 8.3644 126.3534 53.5001 44.4632 175.7352 21 S 5.2940 9.1014 116.2848 57.1741 67.8566 172.5172 22 C 5.3295 9.0376 121.5034 55.1058 43.6346 172.3025 23 A 5.0240 8.9380 128.4658 50.2501 20.5803 175.2782 24 A 5.1078 8.6258 125.4932 50.7858 20.9703 176.3978 25 S 4.4391 8.8959 114.0150 56.6047 66.9037 173.7390 26 G 4.2540 8.8150 105.2290 44.7542 0.0000 177.3309 27 F 4.6507 8.8723 118.8177 56.1548 36.8876 176.4828 28 T 3.8223 7.5443 113.0648 64.5162 69.1503 176.2922 29 Y 4.3908 7.8910 117.7589 58.9757 38.4083 175.9469 30 S 4.4447 8.1840 114.7345 58.7003 63.9214 174.3892 31 R 4.1173 7.3625 120.7257 56.5997 30.3391 176.2691 32 K 4.0103 8.6777 123.1836 58.0162 33.1108 176.0349 33 Y 5.1574 6.0901 114.0938 56.0884 41.2211 173.5255 34 M 5.3175 9.0574 119.7075 53.9535 36.5879 174.6474 35 G 4.3741 8.8490 107.4463 44.9352 0.0000 171.2094 36 W 5.2954 9.1965 120.0989 54.7802 31.8224 175.4583 37 F 5.3817 10.0981 122.6988 55.7970 42.7376 174.2687 38 R 5.1295 9.1282 116.2418 54.7862 33.3555 173.7408 39 Q 4.7978 9.0732 121.8446 54.3665 31.7283 174.6561 40 A 4.7683 8.5542 128.2911 50.2996 20.6711 174.5881 41 P 4.2942 0.0000 0.0000 64.3582 31.5979 177.8109 42 G 3.9316 8.8618 110.3337 45.7366 0.0000 173.2276 43 K 4.4813 7.5851 118.5893 54.4843 34.0902 175.9063 44 E 4.2220 8.2770 119.3820 55.8944 30.1252 177.0510 45 R 4.4880 8.3137 122.4529 56.5363 30.9439 175.4413 46 E 4.9438 9.3371 123.3784 54.3139 33.2592 175.1318 47 G 3.6035 8.7746 108.7171 45.7726 0.0000 173.5060 48 V 4.5622 8.7113 116.0993 62.1168 35.0478 175.5473 49 A 5.1330 7.6520 118.9071 50.9555 22.6825 175.1680 50 A 5.0549 8.4834 120.6050 50.4701 23.4312 175.2144 51 I 4.9126 8.7665 120.1422 59.2892 41.9991 174.0411 52 F 4.8666 9.1449 128.4610 56.6855 39.6019 176.6199 53 I 4.0188 8.5962 125.4476 63.9822 37.3195 177.1662 54 D 4.5768 8.6513 118.0271 56.9239 40.8158 176.4395 55 N 4.8216 8.3712 113.3742 51.8142 37.9600 175.4142 56 G 4.3046 8.5656 106.2930 46.3283 0.0000 173.5795 57 N 4.8010 7.8216 118.9501 53.7038 40.0156 173.9966 58 T 5.3707 8.5911 114.3172 59.9387 72.2812 172.9015 59 I 4.7806 8.1184 115.4270 59.5992 41.2805 173.6246 60 Y 5.3697 8.4533 119.6462 56.1551 42.1980 174.9177 61 A 4.2834 8.8184 123.3502 51.6772 19.2505 178.5512 62 D 4.3688 9.0136 120.4624 57.5236 41.1144 179.4709 63 S 3.9224 8.0900 112.1257 60.6001 62.9785 175.0725 64 V 3.9310 7.7340 111.4987 59.9735 33.3483 175.2546 65 Q 3.8705 7.2658 121.4167 57.7437 29.1746 175.4661 66 G 4.0647 8.8037 112.5232 45.0615 0.0000 174.0695 67 R 4.4705 8.2638 117.8206 56.9536 32.2830 176.6604 68 F 5.6011 8.1452 116.1762 55.9620 41.2902 175.7330 69 T 4.8063 8.9061 112.2599 60.0416 72.2182 172.2981 70 I 5.2507 9.3381 125.5123 59.5974 40.1582 174.4293 71 S 5.1001 9.1371 122.6542 57.2977 66.9149 172.0451 72 Q 5.1401 8.5076 115.8805 55.3630 32.4494 173.3778 73 D 4.8498 9.3092 119.1943 52.5206 42.7242 175.6349 74 N 4.4101 8.9156 123.8148 55.5953 39.2129 177.7864 75 A 3.9837 8.2918 120.5959 54.9563 18.4802 178.2467 76 K 4.2887 8.4116 111.8886 55.7365 32.6418 176.2832 77 N 4.1532 7.7937 116.5256 54.6766 36.7155 173.5721 78 T 5.0434 7.7393 105.8672 59.9494 72.7388 173.4470 79 V 4.8525 8.2244 115.3422 59.8887 35.9649 174.2696 80 Y 5.3435 9.2873 120.6098 56.1811 42.3202 174.6342 81 L 4.8078 8.4471 124.1810 53.2288 44.2809 174.7681 82 Q 4.3097 9.0185 129.3782 55.5184 30.6552 174.2202 83 M 4.2814 8.7275 126.2610 53.4576 34.4793 174.5488 84 N 5.2865 8.6979 120.9566 50.5577 41.6624 174.7589 85 S 3.8419 8.4746 114.8034 59.5988 60.6887 173.0563 86 L 4.4652 8.2427 120.3244 54.8148 42.6729 177.2699 87 K 4.9736 9.2012 120.3558 53.9340 35.9060 175.3214 88 P 4.5972 0.0000 0.0000 65.3922 30.8741 178.0716 89 E 4.1605 8.1295 116.2993 58.3763 29.4795 177.0553 90 D 4.7768 8.4795 117.7690 55.0691 41.3918 176.7836 91 T 4.2979 7.8626 117.3325 63.7355 69.0350 173.6024 92 A 4.3765 8.6131 127.3757 52.0955 23.8597 174.3875 93 M 4.6351 8.2793 119.6494 54.9703 33.5864 174.4737 94 Y 5.0082 9.2316 125.3064 57.1797 39.8764 174.2224 95 Y 5.3002 9.9832 123.4048 56.4744 40.9874 174.2046 96 C 4.3209 9.4924 123.6634 55.3488 45.4615 172.1376 97 A 4.6789 8.1913 124.7919 50.3826 22.6899 174.7256 98 A 5.0336 8.3593 119.5245 50.5694 23.4879 175.3107 99 S 5.3443 8.3337 113.6803 55.2799 65.4810 174.6423 100 S 5.0613 8.5924 119.0231 57.4223 63.5367 173.7820 101 R 4.5005 7.0927 118.6276 54.4491 33.7320 175.7624 102 W 4.7854 8.4044 120.8139 55.8994 27.7378 176.3738 103 M 4.4328 8.4927 121.6755 55.2760 32.4117 175.9178 104 D 4.7986 8.1948 118.8655 54.6527 41.6249 175.5895 105 Y 4.9217 7.4937 113.6447 55.5203 42.3276 175.7354 106 S 4.2332 8.6948 116.0835 58.4499 62.9829 174.8233 107 A 4.2542 8.6590 128.3128 53.6041 18.4561 177.7585 108 L 4.5903 8.1987 116.2063 54.3543 42.5369 175.9840 109 T 5.1442 8.1323 109.8617 59.4074 71.3650 175.1769 110 A 4.1197 8.9447 126.3771 55.4538 18.5729 179.9218 111 K 3.8791 8.0746 113.3920 58.6858 32.0201 177.5291 112 A 4.4839 8.0226 120.2602 52.9585 18.9400 176.6893 113 Y 4.5222 8.0782 113.4982 55.9171 40.6161 175.2436 114 N 5.1635 8.3944 117.5317 52.5917 39.5280 173.5919 115 S 5.0142 8.0054 116.1185 56.7524 66.8986 173.0812 116 W 5.2555 8.7136 122.5253 55.0189 32.9534 175.5357 117 G 4.0716 8.8928 111.3776 45.6268 0.0000 173.2811 118 Q 4.4197 8.9885 117.1777 56.2103 29.3691 177.5462 119 G 3.5849 9.0954 103.6763 45.6313 0.0000 172.6340 120 T 4.6343 8.5786 114.9597 59.8670 71.0058 172.6432 121 Q 4.5690 8.6992 129.7697 55.8539 30.8386 174.3657 122 V 4.9151 8.8913 125.7074 61.4305 34.8391 174.1021 123 T 4.8870 9.0783 124.4179 61.7663 71.5765 172.9528 124 V 4.9350 8.8169 127.7515 60.9947 33.4852 174.7446 125 S 4.6051 8.7515 124.3220 57.7551 63.9956 175.3192 126 S 4.1154 9.0113 120.1542 60.7876 62.3856 174.6156 *127 R 4.1530 7.8368 122.4396 57.2290 29.8440 180.2868 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 Q 8.20 4.55 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 2 V 7.57 4.70 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 0.67 0.00 0.00 0.82 0.00 0.00 3 Q 9.81 4.55 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 4 L 8.38 5.18 0.00 1.40 1.39 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.42 4.33 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 1.06 0.00 0.00 0.91 0.00 0.00 6 E 8.85 5.24 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 7 S 9.12 4.53 0.00 3.90 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 8 G 9.35 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 9 G 7.63 3.76 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 0.00 0.00 0.00 10 G 7.54 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 0.00 0.00 0.00 11 S 8.40 5.38 0.00 3.74 3.78 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 12 V 8.85 4.54 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 0.94 0.00 0.00 0.87 0.00 0.00 13 Q 8.82 4.82 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.45 1.78 0.00 14 A 8.11 4.30 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 15 G 9.62 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 16 G 7.85 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 0.00 0.00 0.00 17 S 8.28 5.34 0.00 3.67 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 18 L 8.49 4.58 0.00 1.56 1.17 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.38 4.79 0.00 1.70 1.68 0.00 3.16 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 20 L 8.36 4.79 0.00 0.65 1.14 0.22 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.10 5.29 0.00 3.80 3.70 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 22 C 9.04 5.33 0.00 2.67 2.71 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 23 A 8.94 5.02 1.19 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 0.00 0.00 0.00 24 A 8.63 5.11 1.09 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 0.00 0.00 25 S 8.90 4.44 0.00 3.78 3.84 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 26 G 8.81 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 0.00 0.00 0.00 0.00 27 F 8.87 4.65 0.00 3.35 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 28 T 7.54 3.82 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 1.11 0.00 0.00 29 Y 7.89 4.39 0.00 3.09 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 30 S 8.18 4.44 0.00 3.95 4.11 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 31 R 7.36 4.12 0.00 1.75 1.76 0.00 3.01 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 32 K 8.68 4.01 0.00 0.79 0.74 0.00 1.34 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.80 0.29 7.81 33 Y 6.09 5.16 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.06 5.32 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 35 G 8.85 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 0.00 0.00 0.00 0.00 36 W 9.20 5.30 0.00 3.33 3.31 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 37 F 10.10 5.38 0.00 3.18 3.12 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 38 R 9.13 5.13 0.00 1.00 1.08 0.00 2.48 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 39 Q 9.07 4.80 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 40 A 8.55 4.77 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 41 P 0.00 4.29 0.00 2.07 2.06 0.00 3.80 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 2.06 2.14 0.00 42 G 8.86 3.93 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 0.00 0.00 0.00 43 K 7.59 4.48 0.00 1.78 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.56 7.81 44 E 8.28 4.22 0.00 1.96 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 2.28 2.28 0.00 45 R 8.31 4.49 0.00 1.72 1.73 0.00 3.10 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 46 E 9.34 4.94 0.00 2.07 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 2.20 2.25 0.00 47 G 8.77 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 0.00 0.00 0.00 48 V 8.71 4.56 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 0.86 0.00 0.00 1.27 0.00 0.00 49 A 7.65 5.13 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 50 A 8.48 5.05 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 0.00 0.00 0.00 0.00 0.00 51 I 8.77 4.91 1.91 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 1.31 1.71 0.99 0.00 0.00 52 F 9.14 4.87 0.00 3.29 3.32 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 53 I 8.60 4.02 2.03 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 1.28 1.33 1.00 0.00 0.00 54 D 8.65 4.58 0.00 2.81 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 55 N 8.37 4.82 0.00 2.97 3.06 0.00 0.00 6.10 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 56 G 8.57 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 0.00 0.00 0.00 0.00 57 N 7.82 4.80 0.00 2.86 2.88 0.00 0.00 6.71 7.10 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 58 T 8.59 5.37 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 1.42 0.00 0.00 59 I 8.12 4.78 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 1.05 0.00 0.00 60 Y 8.45 5.37 0.00 3.03 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 61 A 8.82 4.28 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 62 D 9.01 4.37 0.00 2.72 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 63 S 8.09 3.92 0.00 3.89 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 64 V 7.73 3.93 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 0.00 0.00 0.02 0.00 0.00 0.99 0.00 0.00 65 Q 7.27 3.87 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 66 G 8.80 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 0.00 0.00 0.00 67 R 8.26 4.47 0.00 1.91 2.35 0.00 3.30 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 68 F 8.15 5.60 0.00 2.73 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 69 T 8.91 4.81 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 1.08 0.00 0.00 70 I 9.34 5.25 2.11 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 1.46 1.42 0.97 0.00 0.00 71 S 9.14 5.10 0.00 4.00 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 72 Q 8.51 5.14 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 73 D 9.31 4.85 0.00 2.93 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 74 N 8.92 4.41 0.00 2.84 2.88 0.00 0.00 6.91 7.05 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 75 A 8.29 3.98 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 0.00 0.00 0.00 0.00 0.00 76 K 8.41 4.29 0.00 1.82 1.87 0.00 1.96 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 77 N 7.79 4.15 0.00 2.74 2.74 0.00 0.00 6.47 7.34 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 78 T 7.74 5.04 3.76 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 1.19 0.00 0.00 79 V 8.22 4.85 2.20 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 0.74 0.00 0.00 0.82 0.00 0.00 80 Y 9.29 5.34 0.00 2.92 2.90 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 81 L 8.45 4.81 0.00 0.27 0.29 0.95 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.02 4.31 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 83 M 8.73 4.28 0.00 1.13 1.50 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.00 84 N 8.70 5.29 0.00 2.73 2.69 0.00 0.00 7.12 7.15 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 85 S 8.47 3.84 0.00 4.00 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 86 L 8.24 4.47 0.00 1.74 1.63 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.20 4.97 0.00 1.88 1.88 0.00 1.47 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.37 7.81 88 P 0.00 4.60 0.00 2.26 2.40 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 89 E 8.13 4.16 0.00 1.98 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 0.00 2.32 2.41 0.00 90 D 8.48 4.78 0.00 2.91 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 91 T 7.86 4.30 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 1.33 0.00 0.00 92 A 8.61 4.38 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 93 M 8.28 4.64 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.19 0.00 94 Y 9.23 5.01 0.00 3.20 3.25 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 95 Y 9.98 5.30 0.00 3.15 3.06 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 96 C 9.49 4.32 0.00 1.75 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 97 A 8.19 4.68 -0.45 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 98 A 8.36 5.03 0.99 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 99 S 8.33 5.34 0.00 3.03 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 0.00 100 S 8.59 5.06 0.00 3.87 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 0.00 101 R 7.09 4.50 0.00 1.99 1.81 0.00 3.27 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 1.55 1.44 0.00 102 W 8.40 4.79 0.00 3.36 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 0.00 103 M 8.49 4.43 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.88 0.00 104 D 8.19 4.80 0.00 2.51 2.33 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 0.00 105 Y 7.49 4.92 0.00 3.02 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 0.00 106 S 8.69 4.23 0.00 3.94 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 0.00 107 A 8.66 4.25 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 0.00 108 L 8.20 4.59 0.00 1.80 1.70 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.13 5.14 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 1.36 0.00 0.00 110 A 8.94 4.12 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 0.00 111 K 8.07 3.88 0.00 1.06 0.74 0.00 1.34 0.00 0.00 1.17 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.24 7.81 112 A 8.02 4.48 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.08 4.52 0.00 2.33 2.33 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 0.00 114 N 8.39 5.16 0.00 2.71 2.97 0.00 0.00 5.86 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.01 5.01 0.00 3.69 3.74 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 0.00 116 W 8.71 5.26 0.00 3.04 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 0.00 117 G 8.89 4.07 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 0.00 0.00 0.00 118 Q 8.99 4.42 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 119 G 9.10 3.58 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 0.00 120 T 8.58 4.63 4.32 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 1.41 0.00 0.00 121 Q 8.70 4.57 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 122 V 8.89 4.92 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 0.82 0.00 0.00 0.63 0.00 0.00 123 T 9.08 4.89 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 1.23 0.00 0.00 124 V 8.82 4.94 2.20 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 1.02 0.00 0.00 0.97 0.00 0.00 125 S 8.75 4.61 0.00 3.96 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 0.00 126 S 9.01 4.12 0.00 3.86 3.93 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 *127 R 7.84 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.