NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0528 8.1633 120.7390 55.3987 33.4692 173.2713 2 R 4.7472 8.9165 125.0508 51.7257 32.6460 170.5596 3 V 5.5469 8.4533 123.2420 58.9285 35.1066 174.2144 4 V 4.8574 8.5733 123.9523 61.6115 33.4228 174.0606 5 I 4.9803 8.7090 128.8843 59.7202 39.8788 174.6777 6 Q 5.6407 8.8142 124.8882 52.9104 32.7373 174.6342 7 R 4.5830 8.5379 124.3053 56.2901 31.6186 175.3915 8 V 4.9705 8.7594 118.2568 59.7584 35.5342 176.6862 9 K 4.1458 8.6519 123.7040 58.2791 32.9301 176.7657 10 G 4.4572 7.7343 105.0513 45.5578 0.0000 172.2389 11 A 5.0482 8.2694 118.6288 51.1712 23.4341 175.5671 12 I 4.5402 9.3966 125.2900 59.4817 39.9375 174.3596 13 L 4.9821 8.3826 129.8559 53.8752 43.8670 175.5373 14 S 5.0734 8.8483 121.2682 57.3479 67.4282 174.0385 15 V 4.9914 8.6609 118.4166 59.9200 35.0088 174.0703 16 R 4.6187 8.4763 119.8634 54.9523 31.9363 175.3889 *27 L 5.1508 8.6286 122.0034 54.7617 42.8371 176.0723 28 E 4.7756 8.5572 121.0254 54.4058 33.3635 174.7690 29 I 4.6360 8.4850 123.4914 61.1375 37.2625 175.4682 30 I 4.4333 8.4587 120.6494 61.2846 39.4494 175.4361 31 S 4.7226 7.4496 117.4986 57.4013 67.8684 172.3295 32 E 5.2699 7.9886 117.8295 55.7301 32.0582 174.9731 33 I 4.8124 8.3892 119.6900 58.4974 41.3676 175.4116 34 K 4.5426 9.0832 126.5999 55.8737 30.4959 177.5369 35 N 4.7049 8.6829 124.2988 53.3266 39.7980 174.3448 36 G 4.5497 7.2119 110.1340 46.0594 0.0000 172.2255 37 L 5.2247 8.6953 124.0514 52.9513 46.0941 175.0026 38 I 4.4680 8.4809 124.2846 59.7100 39.9159 173.9441 39 C 5.0906 8.8003 127.6126 57.9487 30.7651 173.4583 40 F 4.7886 9.1713 125.0996 56.7888 39.5078 174.6194 41 L 5.1481 9.5376 127.6356 53.2855 44.1784 175.2616 42 G 5.1485 9.8800 114.4298 45.5072 0.0000 171.9609 43 I 5.0638 8.6867 123.7911 59.5328 40.1653 174.3864 44 H 4.0064 10.1009 128.5330 54.8172 30.5210 176.1551 45 K 3.8790 7.2775 125.1066 59.5462 32.5482 176.9183 46 N 4.9417 7.5213 115.7110 52.2954 39.0587 174.2067 47 D 4.7271 7.8834 118.2032 53.3836 42.4965 177.6701 48 T 4.3712 8.1672 114.0530 60.2806 70.7009 174.9474 49 W 4.8280 8.7680 129.2128 59.7202 30.6106 177.4114 50 E 3.9394 7.9898 117.5207 59.7302 28.8104 178.5453 51 D 4.3952 7.8256 118.1093 57.2114 40.8847 178.7301 52 A 3.7422 7.9001 120.6539 55.0946 18.4233 179.2714 53 L 3.3637 7.0591 118.6792 58.2096 41.9985 178.5606 54 Y 4.0398 8.0200 119.5655 60.4907 38.7318 177.6346 55 I 3.6406 7.4219 120.7902 63.9772 37.2153 178.5860 56 I 3.0151 7.4210 120.8711 63.9747 36.7875 178.2657 57 R 3.7726 7.5172 119.4602 59.2578 29.8764 178.6707 58 K 3.7257 7.5686 118.0581 59.6484 31.8229 178.8725 59 C 4.0952 7.7159 115.4306 63.4685 28.5512 175.9790 60 L 4.1035 7.9895 120.2738 57.6559 41.1340 178.7539 61 N 4.7436 8.5372 116.9258 53.5726 39.2710 175.7543 62 L 3.9323 7.7147 122.5009 54.9726 41.9213 176.4350 63 R 4.8183 8.6021 123.7146 55.2487 29.6950 175.9482 64 L 4.8602 8.6849 121.1993 53.8940 43.2852 176.6180 65 W 4.3856 9.2455 121.8688 55.0716 30.3389 175.7189 66 N 4.7117 8.4974 123.5514 52.6519 37.0792 173.2856 67 N 4.2671 8.6169 122.0417 53.3419 40.3554 171.6636 68 D 4.5960 8.8077 127.3922 57.9811 40.8290 173.4887 69 N 4.1398 8.2403 128.1199 52.9770 35.8733 174.8864 70 K 4.5829 8.0240 117.2758 54.8310 34.5445 175.4474 71 T 4.4571 7.9648 108.8040 60.5626 71.3535 173.3372 72 W 3.6840 7.8387 120.3181 58.0725 27.3729 175.1532 73 D 4.7161 8.1668 117.0740 54.9493 42.0954 176.1347 74 K 4.9547 9.0670 119.1646 54.4848 35.0146 175.6380 75 N 5.7018 9.1192 120.4241 51.1843 39.9531 174.4634 76 V 3.2688 7.7983 115.2989 66.4379 32.0452 179.2238 77 K 3.9117 7.9103 118.7067 59.7989 32.2086 178.5549 78 D 4.3083 8.2286 117.2935 57.3254 40.6990 177.9262 79 L 4.0574 7.3284 114.9131 53.3322 41.7828 175.9812 80 N 4.2504 7.2617 114.7991 53.9123 37.6029 172.5709 81 Y 5.0577 7.5018 114.1049 56.7491 41.1171 175.3922 82 E 5.1249 8.6171 117.9896 54.9888 33.5979 175.5843 83 L 5.0562 8.5870 120.3273 53.0472 45.3958 175.3576 84 L 4.9488 8.7593 126.6932 53.4569 44.1657 175.0819 85 I 4.9148 8.4936 126.6538 59.6484 39.8706 174.9404 86 V 4.4365 8.5637 127.6822 60.7129 34.4720 174.5765 87 S 4.6605 8.6064 122.5245 58.4292 62.9226 173.3709 88 Q 4.5904 9.8847 129.2809 54.0849 30.4279 176.7317 89 F 4.5641 8.9194 121.0900 59.3037 38.8199 177.8315 90 T 3.3514 6.8258 111.1907 63.9529 68.1956 175.2760 91 L 4.1352 7.7875 120.2165 56.3532 41.6636 176.9702 92 F 4.9179 8.2672 117.7253 57.1834 39.8089 176.5869 93 G 3.8177 8.2534 108.3481 45.0863 0.0000 173.8636 94 N 4.5485 8.4175 126.0243 53.8674 39.8869 175.1323 95 T 4.6322 8.3469 112.7717 61.0907 70.0648 174.8557 96 K 4.1009 8.7664 123.5759 59.5297 32.4485 178.6328 97 K 4.1763 8.2028 119.0794 58.8211 33.2297 175.9355 98 G 3.8479 7.2209 109.9642 46.0150 0.0000 174.6680 99 N 4.8765 8.5575 116.6813 51.3028 38.6612 175.9501 100 K 4.1868 7.4317 118.7616 54.8648 34.1127 172.7375 101 P 5.0422 0.0000 0.0000 61.9161 31.6815 175.2234 102 D 4.4065 8.2169 121.9820 51.5956 41.1077 176.6025 103 F 5.0988 8.0460 122.3767 57.7819 39.5551 177.4337 104 H 4.8440 7.6480 116.4152 55.9018 27.7444 176.1413 105 L 4.8402 7.9311 119.7207 54.5085 44.6006 175.8308 106 A 4.1550 8.1871 119.8741 51.4884 19.1829 177.3034 107 K 4.0369 8.3832 120.9079 56.0617 33.5775 176.4920 108 E 4.0680 8.9636 126.1920 56.3006 30.2133 176.1371 109 P 4.3132 0.0000 0.0000 65.5525 31.0950 177.8940 110 N 4.3413 8.3077 114.9420 56.4361 38.5361 177.4217 111 E 3.9620 8.1800 119.0778 59.3926 29.6425 178.7346 112 A 4.1906 7.8794 120.5035 55.4754 18.3537 179.4114 113 L 2.9859 8.2695 118.7345 58.1571 42.0957 179.3514 114 I 3.7133 7.3354 118.9638 64.3609 37.0333 178.2107 115 F 4.4086 8.9556 121.9349 61.4717 39.1823 176.3185 116 Y 4.1920 8.5522 119.6635 60.9270 38.6609 177.5626 117 N 4.0267 8.3620 117.1787 56.4009 38.6161 177.5457 118 K 3.8623 7.9843 119.4967 59.6502 32.2101 179.4518 119 I 3.7542 7.6353 119.9585 64.4750 37.0114 178.6215 120 I 3.8612 7.7068 120.7416 64.3461 36.7652 177.9604 121 D 4.3313 8.0314 120.0360 57.3750 40.7280 178.2115 122 E 4.1033 8.6930 119.8483 59.4370 29.4891 179.3269 123 F 4.2192 8.2233 117.7863 60.5256 38.9717 177.7032 124 K 4.6281 8.0216 118.9798 58.8449 31.6247 179.1706 125 K 3.8934 8.2818 119.1667 59.8327 32.2396 178.4801 126 Q 4.2819 8.0609 116.0645 57.5940 28.9109 176.0968 127 Y 4.7837 9.2067 118.9244 57.3588 41.3985 173.6903 128 N 4.5314 7.5986 122.1509 52.3918 42.1430 174.8598 129 D 4.4469 8.1968 125.7600 55.9445 40.5990 177.2275 130 D 4.3607 8.3163 119.5548 57.1506 41.5271 177.2608 131 K 4.3383 7.8351 116.0998 56.3252 32.2343 175.3246 132 I 4.9786 7.1879 119.7231 59.4157 39.2461 175.2853 133 K 4.7973 9.5080 126.2145 54.5763 35.8737 175.3232 134 I 5.1143 8.3467 116.0479 59.2468 40.9854 173.1752 135 G 4.2313 8.2587 107.3703 44.5260 0.0000 174.1392 136 K 4.5021 8.7403 118.9033 54.4905 30.7190 174.9505 137 F 3.6582 8.2306 123.1174 58.2573 40.4794 175.0000 138 G 3.9851 7.8949 119.4965 45.8069 0.0000 174.0903 139 N 4.5434 7.4985 115.5352 52.4348 39.1605 174.5328 140 Y 4.1162 8.4972 122.7029 58.3863 39.4634 175.0115 141 M 4.9630 6.7554 123.6718 53.5795 36.9748 174.3028 142 N 4.7003 9.0588 118.2470 52.2794 42.0243 173.3181 143 I 4.6116 8.2648 127.9058 59.1040 39.0644 174.8427 144 D 4.4221 8.8693 127.9611 54.6027 41.7588 175.8711 145 V 4.6145 8.3249 123.8448 61.4383 34.0213 175.6527 146 T 4.3729 8.6394 126.0918 62.1890 68.2929 172.9739 147 N 4.7296 8.5418 123.2939 53.3025 39.4216 174.1548 148 D 4.2220 10.3174 125.3281 56.3346 41.1293 173.5518 149 G 3.5885 8.8151 118.3174 44.4427 0.0000 170.2788 150 P 4.5132 0.0000 0.0000 61.4071 33.0012 175.6392 151 V 4.4815 8.0544 119.3626 61.7058 34.2431 174.8331 152 T 4.8998 8.3734 123.6102 62.6335 71.3616 173.2224 153 I 4.4055 8.8969 128.3857 60.3276 39.4509 174.5561 154 Y 5.2343 8.4110 124.8531 56.0275 41.8564 174.5793 155 I 4.3283 7.8540 126.1594 59.4505 41.7060 173.5829 156 D 5.0891 8.3218 126.5569 52.3895 42.8291 175.8125 157 T 3.9074 8.2257 116.8540 65.3395 68.6518 175.3607 158 H 4.2519 8.2279 117.5915 57.8733 29.5000 175.3739 159 D 4.5737 8.0416 124.3084 54.0410 39.6385 177.2427 160 I 3.5670 7.4097 120.3129 60.4219 35.4217 175.4765 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 5.05 0.00 1.73 2.08 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.92 4.75 0.00 1.24 1.73 0.00 2.36 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.40 0.00 3 V 8.45 5.55 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 0.58 0.00 0.00 1.05 0.00 0.00 4 V 8.57 4.86 2.28 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 1.17 0.00 0.00 1.02 0.00 0.00 5 I 8.71 4.98 1.90 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 1.25 0.70 0.92 0.00 0.00 6 Q 8.81 5.64 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 7 R 8.54 4.58 0.00 1.57 1.73 0.00 2.30 0.00 0.00 2.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.13 0.00 8 V 8.76 4.97 2.35 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 0.71 0.00 0.00 0.96 0.00 0.00 9 K 8.65 4.15 0.00 1.61 1.84 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.37 7.81 10 G 7.73 4.46 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 0.00 11 A 8.27 5.05 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 12 I 9.40 4.54 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.92 0.00 0.00 13 L 8.38 4.98 0.00 1.72 1.52 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.85 5.07 0.00 3.82 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 15 V 8.66 4.99 2.15 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 0.76 0.00 0.00 0.97 0.00 0.00 16 R 8.48 4.62 0.00 1.82 1.85 0.00 3.26 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 *27 L 8.63 5.15 0.00 1.59 1.71 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.56 4.78 0.00 2.00 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 2.27 2.33 0.00 29 I 8.49 4.64 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 1.41 0.57 1.02 0.00 0.00 30 I 8.46 4.43 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.94 0.00 0.00 31 S 7.45 4.72 0.00 3.78 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 32 E 7.99 5.27 0.00 1.91 1.75 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 2.06 2.16 0.00 33 I 8.39 4.81 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.94 0.00 0.00 34 K 9.08 4.54 0.00 1.74 1.42 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.54 7.81 35 N 8.68 4.70 0.00 1.62 1.42 0.00 0.00 6.65 7.87 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 36 G 7.21 4.55 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 0.00 37 L 8.70 5.22 0.00 1.61 1.54 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.48 4.47 1.72 0.00 0.00 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 0.02 1.06 0.96 0.00 0.00 39 C 8.80 5.09 0.00 2.76 2.83 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 40 F 9.17 4.79 0.00 2.98 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 41 L 9.54 5.15 0.00 1.94 1.71 1.17 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.88 5.15 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 0.00 43 I 8.69 5.06 2.12 0.00 0.00 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 1.67 1.07 1.17 0.00 0.00 44 H 10.10 4.01 0.00 2.87 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.28 3.88 0.00 1.83 2.04 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.04 7.81 46 N 7.52 4.94 0.00 2.66 2.81 0.00 0.00 6.88 8.06 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 47 D 7.88 4.73 0.00 2.72 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 48 T 8.17 4.37 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 1.25 0.00 0.00 49 W 8.77 4.83 0.00 3.68 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 50 E 7.99 3.94 0.00 2.10 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 2.41 2.53 0.00 51 D 7.83 4.40 0.00 3.17 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 52 A 7.90 3.74 0.49 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 0.00 0.00 0.00 53 L 7.06 3.36 0.00 1.41 1.55 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.02 4.04 0.00 3.04 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 55 I 7.42 3.64 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.81 0.94 0.00 0.00 56 I 7.42 3.02 1.47 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.56 0.10 0.00 0.00 57 R 7.52 3.77 0.00 1.79 1.72 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 58 K 7.57 3.73 0.00 1.54 1.62 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.65 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.40 0.81 7.81 59 C 7.72 4.10 0.00 3.51 3.20 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 60 L 7.99 4.10 0.00 1.73 1.59 1.04 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.54 4.74 0.00 2.74 2.87 0.00 0.00 7.21 8.57 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 62 L 7.71 3.93 0.00 1.92 1.65 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.60 4.82 0.00 1.91 2.17 0.00 3.20 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 64 L 8.68 4.86 0.00 0.84 1.44 0.82 1.08 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 65 W 9.25 4.39 0.00 3.47 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 66 N 8.50 4.71 0.00 2.37 2.72 0.00 0.00 7.11 8.00 0.00 0.00 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 N 8.62 4.27 0.00 2.81 2.87 0.00 0.00 6.67 8.49 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 68 D 8.81 4.60 0.00 2.68 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 69 N 8.24 4.14 0.00 2.79 3.04 0.00 0.00 7.14 6.68 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 70 K 8.02 4.58 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.37 7.81 71 T 7.96 4.46 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 1.13 0.00 0.00 72 W 7.84 3.68 0.00 3.45 3.43 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 73 D 8.17 4.72 0.00 2.66 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 74 K 9.07 4.95 0.00 2.01 1.70 0.00 1.97 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.47 7.81 75 N 9.12 5.70 0.00 3.14 3.15 0.00 0.00 6.89 7.71 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 76 V 7.80 3.27 1.65 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 0.86 0.00 0.00 1.07 0.00 0.00 77 K 7.91 3.91 0.00 1.90 1.99 0.00 1.88 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.93 1.29 7.81 78 D 8.23 4.31 0.00 2.81 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 79 L 7.33 4.06 0.00 0.55 0.29 0.64 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.26 4.25 0.00 2.68 2.67 0.00 0.00 7.07 8.86 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 81 Y 7.50 5.06 0.00 2.48 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 82 E 8.62 5.12 0.00 1.93 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 2.26 2.32 0.00 83 L 8.59 5.06 0.00 1.42 1.23 0.80 0.13 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 84 L 8.76 4.95 0.00 1.68 1.42 0.88 1.05 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 85 I 8.49 4.91 1.88 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.68 1.05 0.00 0.00 86 V 8.56 4.44 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 0.96 0.00 0.00 0.77 0.00 0.00 87 S 8.61 4.66 0.00 3.45 3.42 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 88 Q 9.88 4.59 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 89 F 8.92 4.56 0.00 3.34 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 90 T 6.83 3.35 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 0.11 0.00 0.00 91 L 7.79 4.14 0.00 1.33 1.51 1.05 0.72 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 92 F 8.27 4.92 0.00 3.27 3.19 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 93 G 8.25 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 94 N 8.42 4.55 0.00 2.88 2.96 0.00 0.00 6.47 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 95 T 8.35 4.63 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 1.20 0.00 0.00 96 K 8.77 4.10 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.36 7.81 97 K 8.20 4.18 0.00 1.67 1.80 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.48 7.81 98 G 7.22 3.85 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 0.00 0.00 0.00 99 N 8.56 4.88 0.00 2.69 2.78 0.00 0.00 6.48 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 0.00 100 K 7.43 4.19 0.00 1.65 1.63 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.41 7.81 101 P 0.00 5.04 0.00 1.73 1.92 0.00 3.37 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 102 D 8.22 4.41 0.00 2.78 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 0.00 103 F 8.05 5.10 0.00 3.30 3.36 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 0.00 104 H 7.65 4.84 0.00 3.14 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.93 4.84 0.00 1.81 1.72 1.02 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.19 4.16 1.51 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 0.00 0.00 0.00 107 K 8.38 4.04 0.00 1.87 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.34 7.81 108 E 8.96 4.07 0.00 2.00 1.83 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 2.38 2.27 0.00 109 P 0.00 4.31 0.00 2.24 2.10 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 110 N 8.31 4.34 0.00 2.89 2.88 0.00 0.00 7.10 7.32 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 0.00 111 E 8.18 3.96 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 112 A 7.88 4.19 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 0.00 0.00 0.00 0.00 0.00 113 L 8.27 2.99 0.00 0.97 1.73 0.49 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.34 3.71 2.00 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 1.40 0.63 0.92 0.00 0.00 115 F 8.96 4.41 0.00 3.16 3.38 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 0.00 116 Y 8.55 4.19 0.00 3.15 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 0.00 117 N 8.36 4.03 0.00 2.87 2.81 0.00 0.00 7.16 6.61 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 0.00 118 K 7.98 3.86 0.00 1.98 1.71 0.00 1.67 0.00 0.00 1.14 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.52 7.81 119 I 7.64 3.75 1.98 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 0.92 0.00 0.00 120 I 7.71 3.86 1.83 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 0.84 0.00 0.00 121 D 8.03 4.33 0.00 2.94 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 0.00 122 E 8.69 4.10 0.00 2.43 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 2.37 2.36 0.00 123 F 8.22 4.22 0.00 3.41 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 0.00 124 K 8.02 4.63 0.00 2.03 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.51 7.81 125 K 8.28 3.89 0.00 1.94 2.01 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 126 Q 8.06 4.28 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.50 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 127 Y 9.21 4.78 0.00 2.94 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 0.00 128 N 7.60 4.53 0.00 2.12 2.25 0.00 0.00 7.00 9.02 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 0.00 129 D 8.20 4.45 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.32 4.36 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 131 K 7.84 4.34 0.00 1.57 2.06 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.06 7.81 132 I 7.19 4.98 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 0.79 0.00 0.00 133 K 9.51 4.80 0.00 1.56 1.64 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.32 1.47 7.81 134 I 8.35 5.11 2.05 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 1.30 0.73 0.86 0.00 0.00 135 G 8.26 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 0.00 0.00 0.00 0.00 136 K 8.74 4.50 0.00 1.89 1.85 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.48 7.81 137 F 8.23 3.66 0.00 2.93 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 0.00 138 G 7.89 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 0.00 139 N 7.50 4.54 0.00 2.93 2.82 0.00 0.00 7.00 8.08 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 0.00 140 Y 8.50 4.12 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 0.00 141 M 6.76 4.96 0.00 1.75 1.68 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 142 N 9.06 4.70 0.00 2.94 2.81 0.00 0.00 7.35 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.26 4.61 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.91 0.00 0.00 144 D 8.87 4.42 0.00 2.78 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 0.00 145 V 8.32 4.61 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 0.87 0.00 0.00 1.07 0.00 0.00 146 T 8.64 4.37 4.31 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 1.21 0.00 0.00 147 N 8.54 4.73 0.00 2.61 2.77 0.00 0.00 6.99 8.06 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 0.00 148 D 10.32 4.22 0.00 2.66 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 0.00 149 G 8.82 3.59 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 0.00 0.00 0.00 150 P 0.00 4.51 0.00 2.20 2.06 0.00 3.73 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 1.98 1.94 0.00 151 V 8.05 4.48 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 1.20 0.00 0.00 0.88 0.00 0.00 152 T 8.37 4.90 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 1.24 0.00 0.00 153 I 8.90 4.41 1.88 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 1.12 0.89 0.89 0.00 0.00 154 Y 8.41 5.23 0.00 2.91 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 0.00 155 I 7.85 4.33 1.73 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 1.08 0.79 0.96 0.00 0.00 156 D 8.32 5.09 0.00 2.57 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 0.00 157 T 8.23 3.91 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 1.45 0.00 0.00 158 H 8.23 4.25 0.00 3.29 3.42 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.04 4.57 0.00 2.76 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 0.00 160 I 7.41 3.57 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.