NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.6253 8.3549 109.7030 46.0569 0.0000 175.6098 0 H 4.3589 7.5377 114.9136 52.2887 30.5076 172.8737 2 D 4.4038 9.0549 125.8676 53.7730 42.3036 175.5480 3 K 3.2605 8.6664 126.8713 59.3626 32.1001 178.6492 4 K 4.0059 8.1080 117.8332 60.7135 32.2622 179.0015 5 S 4.0881 7.5560 116.0246 60.9852 62.6841 176.1354 6 L 3.9264 7.5632 122.6748 58.7326 41.7848 178.7683 7 Y 4.4325 8.0315 116.7298 60.8434 37.7463 178.8057 8 K 4.0104 8.2626 120.8696 59.5441 32.2808 178.2604 9 Y 4.0814 8.2772 119.7758 60.7460 38.7649 177.5939 10 L 3.7961 8.4108 120.2303 58.1432 42.0075 179.7787 11 L 4.0180 7.9892 118.4739 57.6527 41.6129 179.7195 12 L 4.0507 8.0049 118.9287 57.9531 41.4140 179.5841 13 R 3.8965 7.7226 116.8991 59.1562 29.9861 178.5112 14 S 4.5886 7.9290 112.5709 59.1606 63.1807 174.8082 15 T 4.4398 7.1259 110.0946 61.6031 68.6597 174.8091 16 G 4.0227 8.3841 108.2070 45.7863 0.0000 173.2932 17 D 4.4877 7.7704 120.0846 52.8542 41.6004 175.4759 *19 H 4.5736 8.4156 121.5271 54.7942 29.6574 173.0187 20 R 3.8536 8.5302 121.0138 56.0942 30.4094 175.9897 21 A 4.2302 8.6176 126.1132 53.0280 18.6808 176.5434 22 K 4.6603 8.7141 122.2656 54.3284 34.6330 176.6285 23 S 4.4376 8.6855 121.1493 57.8267 63.2403 172.7345 24 P 4.5785 0.0000 0.0000 62.8435 32.1456 175.8128 25 T 4.5280 8.4380 108.2474 62.5326 71.5816 174.4206 26 I 4.3615 7.3036 118.7174 60.7795 39.7175 176.4935 *28 T 4.1245 8.3741 116.2062 63.1944 70.1582 172.8487 29 R 3.7984 8.5862 126.8297 55.6677 29.7168 176.2201 30 V 3.8378 8.4092 121.7430 63.2639 32.3238 176.0760 31 T 4.7757 7.1039 108.0785 59.9281 71.2832 172.0853 32 N 4.3866 9.0547 118.1786 56.9365 39.2605 176.0418 33 N 5.0983 8.7752 113.0095 52.7627 41.7283 174.3283 34 V 4.8209 7.6592 120.4024 61.6396 33.1892 174.3380 35 Y 5.2068 9.6874 125.7688 56.1958 41.2449 174.3458 36 L 5.2627 8.9144 123.9416 53.7694 44.9473 175.6700 37 G 4.2303 8.7578 111.4695 46.2709 0.0000 170.5445 38 N 5.5812 9.2233 117.9757 51.2259 39.9755 174.9863 39 Y 3.7448 8.7506 119.2851 60.6786 39.1175 178.2271 40 K 4.0886 8.2717 119.6455 59.4601 32.6224 177.8497 41 N 4.4130 9.0021 116.9784 56.2386 38.1748 177.7858 42 A 3.5192 7.0029 117.6743 52.6907 18.7038 178.0543 *44 D 4.4295 8.1522 120.5953 55.1249 43.2795 177.5149 45 A 3.9225 7.6784 123.1399 54.9164 18.3580 178.0132 46 P 4.2960 0.0000 0.0000 65.4879 31.4479 177.4010 47 S 4.6317 7.8324 110.4751 58.1066 63.1018 173.8633 48 S 4.6376 7.7295 115.0971 57.4084 63.3284 173.8921 49 E 4.0354 8.7891 124.9273 59.3852 29.4303 178.5298 50 V 3.4378 7.2105 117.7696 62.6543 31.8278 176.3979 51 K 4.2957 7.7933 126.9654 54.5364 30.9761 175.3359 52 F 4.4028 8.0385 121.0282 57.3792 39.9135 175.6881 53 K 4.2996 8.8783 123.3804 57.5526 33.8114 176.1633 54 Y 5.4959 8.0370 116.3848 56.1264 42.5339 174.5313 55 V 4.8729 9.0487 122.3717 61.0411 35.2413 173.9546 56 L 4.9083 9.3916 130.4045 53.5073 43.7362 174.5906 57 N 4.7117 9.2312 127.5748 52.6595 39.7784 174.9179 58 L 5.4738 8.9012 125.9705 53.0362 43.5423 178.0131 59 T 4.5498 8.4922 116.5254 61.1920 67.8250 177.0447 *61 D 4.6695 8.7727 117.9906 53.5822 41.6570 175.1507 62 K 3.9249 8.5299 123.5902 56.8205 32.7038 175.5203 63 Y 4.9046 7.4029 118.6489 56.3339 40.6915 173.5665 64 T 4.7227 8.4311 109.5228 59.9008 71.7575 174.0551 65 L 4.6934 8.0218 122.4638 51.6390 42.1059 175.3800 66 P 4.2642 0.0000 0.0000 65.9152 31.2096 178.3826 67 N 4.5212 8.0687 113.7932 53.4663 38.8189 175.2692 68 S 4.5995 7.4790 113.6695 57.4478 64.5854 173.1884 69 N 4.8884 8.3421 116.3189 53.3465 38.9228 174.1421 70 I 4.1745 7.4290 116.9922 60.6501 38.2352 175.2487 71 N 4.7757 9.1631 124.2178 52.2887 40.0724 174.0440 72 I 4.7199 8.3542 125.0578 60.0125 38.8875 175.0376 73 I 4.3427 8.7546 128.6061 59.7067 39.4453 174.0258 74 H 5.2404 8.7306 126.6329 54.5247 31.9359 173.3830 75 I 4.2706 8.5173 127.4885 58.3888 39.4576 172.9528 76 P 5.1809 0.0000 0.0000 62.3023 31.5653 175.7368 77 L 4.7532 8.0136 124.9129 52.5162 44.4030 176.5788 78 V 3.9250 8.3468 122.0896 62.4133 32.2538 176.1391 79 D 4.8572 8.5329 127.9683 52.7984 39.7473 174.4623 80 D 4.5917 7.7334 122.2987 52.0930 42.3355 175.5543 81 T 4.2374 8.4053 107.6614 62.4032 69.3575 174.9223 82 T 4.4362 7.8702 110.8662 61.9784 70.2245 174.7463 83 T 4.1102 8.0081 120.2373 63.2186 69.0484 173.5502 84 D 4.7257 8.6979 126.2290 53.7035 41.7806 175.6821 85 I 4.4381 9.3773 120.2960 60.6884 39.2022 177.7357 86 S 2.7900 7.9671 117.2144 60.7458 62.3608 176.0999 87 K 3.6614 7.6866 121.2454 59.2151 32.2984 177.5351 88 Y 4.4819 7.4894 116.6152 58.2148 38.5189 177.3231 89 F 4.7086 7.8734 120.0222 61.1057 39.0471 177.1877 90 D 4.5224 8.2834 117.4654 57.6929 40.7555 178.5622 91 D 4.4089 8.1453 118.8383 57.3278 40.8568 178.9519 92 V 3.7299 8.1836 119.0522 66.2893 31.5630 178.3004 93 T 4.0759 8.7397 109.7272 64.6909 68.4685 176.3942 94 A 4.0458 8.4767 124.0930 54.7983 18.3989 179.4245 95 F 4.0770 8.4411 119.2534 61.5031 39.6694 177.4447 96 L 3.4354 8.2001 119.0585 57.4780 41.3386 179.3746 97 S 4.2527 8.1681 113.3170 61.4161 62.3582 176.3112 98 K 3.9067 8.1031 121.3446 59.8073 31.7790 179.0592 99 C 4.0572 7.6362 116.7870 62.8645 27.7285 175.8845 100 D 4.7734 7.7675 119.2335 57.0556 40.5104 178.5496 101 Q 4.1879 7.7725 117.9939 58.5227 28.8346 177.7536 102 R 4.3260 7.8807 115.9580 54.7884 31.1867 176.1172 103 N 4.6580 7.8630 114.5544 53.6902 36.0553 175.6197 104 E 4.6131 8.3952 117.0763 53.6210 31.2533 175.7495 105 P 4.8910 0.0000 0.0000 63.1742 32.9565 175.8654 106 V 5.3767 9.3673 122.5769 60.2996 35.1832 173.5433 107 L 5.1475 8.8568 127.3707 53.5846 43.8057 175.0910 108 V 4.9838 8.9685 127.0747 60.4273 33.6670 174.6374 109 H 5.7542 9.2935 119.0915 53.7987 32.1562 171.4363 110 C 4.6794 8.5442 115.5620 58.0172 32.0696 173.8648 111 A 4.3864 9.1810 115.5768 54.2088 17.8332 179.1879 112 A 4.1190 8.1445 118.3850 52.0681 19.4760 177.8906 113 G 4.1951 8.3027 103.2415 45.7597 0.0000 174.3064 114 V 4.2217 8.0076 117.0711 64.0640 33.1525 176.3315 115 N 4.7448 7.5578 116.2660 55.2264 38.7431 177.4578 116 R 3.8877 7.9523 120.3839 59.5679 30.9333 179.0710 117 S 4.4054 8.1658 113.6343 61.3479 63.1399 176.3767 118 G 3.6402 8.1757 108.7544 47.2994 0.0000 176.3224 119 A 4.1869 8.2029 121.6315 52.2654 18.2852 179.3789 *121 I 4.1903 7.7218 123.0081 62.9903 39.2276 178.0112 122 L 4.0671 8.6019 120.3466 58.1175 41.8712 178.5661 123 A 3.6364 8.1814 120.1517 55.0563 18.3704 178.5478 124 Y 4.4806 7.9462 116.2517 60.8430 38.8552 179.7065 125 L 3.9097 8.0886 119.2139 54.9064 41.2420 179.2038 *127 S 4.3772 8.1340 115.8679 58.3253 64.7654 175.3063 128 K 3.8492 7.4541 117.7251 57.2433 31.9797 176.0948 129 N 4.5498 7.3478 118.5084 52.2256 39.5937 174.6740 130 K 4.3987 8.2985 123.4850 56.2427 33.2760 176.5832 131 E 4.1756 7.6623 119.2468 56.4013 29.9530 177.2756 132 S 4.3790 8.5214 115.4263 60.5580 63.8011 174.4853 133 L 4.6227 7.4049 121.4707 52.3124 41.8986 171.3678 134 P 4.6696 0.0000 0.0000 61.5280 32.4949 177.5693 *136 L 4.4092 8.5065 123.3499 54.9063 43.7777 178.6917 137 Y 4.2959 8.1972 118.5153 60.5141 38.6723 177.4742 138 F 4.1314 8.8060 121.9094 61.5145 39.5390 177.1339 139 L 3.9699 8.2057 118.0170 57.7867 41.4293 178.7930 140 Y 4.1505 8.4964 119.8940 60.7267 38.5979 178.2605 141 V 2.9754 7.4674 117.9764 65.7989 31.6448 176.8170 142 Y 4.0643 7.5484 118.2470 61.2905 38.7828 177.7841 143 H 4.2939 8.2509 117.1686 58.2822 28.7353 178.2868 144 S 4.3200 7.6586 114.2162 58.8392 62.5413 176.0682 *146 R 4.1219 7.9993 124.5172 57.2347 31.5832 177.1866 147 D 4.3629 8.1798 117.1172 57.1541 41.1490 177.6158 148 L 4.0165 8.1394 120.6101 58.0275 42.1502 178.1690 149 R 4.0978 7.7126 115.5036 56.8863 30.6944 177.2335 150 G 4.0825 9.8680 106.2592 45.4255 0.0000 173.0913 151 A 4.7703 7.3576 118.3943 51.5031 21.7927 175.5230 152 F 4.4418 10.1278 122.5071 58.9498 43.1109 174.9147 153 V 3.3463 7.9819 127.4818 64.3124 29.6220 173.2634 154 E 4.0754 8.5897 120.9555 58.3454 30.4539 177.8567 155 N 4.3593 8.2059 117.6784 52.2804 39.2518 173.1178 156 P 4.2584 0.0000 0.0000 66.0661 31.3010 178.1933 157 S 4.1101 8.0387 112.3286 61.2288 62.3672 176.0219 158 F 4.6832 8.6359 120.5921 60.6862 38.5854 177.8338 159 K 4.1794 8.2223 117.9727 59.4026 31.7528 179.3251 160 R 3.8927 8.4302 119.3437 59.6352 29.9731 178.6462 161 Q 4.1034 8.4300 117.7889 58.9967 28.7267 178.7698 162 I 3.7884 8.1209 120.8453 64.4435 37.1836 178.4030 163 I 3.3609 7.9732 120.8296 64.4673 36.7090 178.3201 164 E 3.9255 8.1347 118.0568 59.2919 29.3518 179.1261 165 K 3.9379 8.0889 118.6601 58.7562 32.3802 177.5608 166 Y 4.7671 8.2136 113.6716 57.4405 39.3773 175.9217 167 V 4.2259 7.9151 117.7070 64.0873 33.2486 176.5446 168 I 4.3934 7.6450 109.2671 60.4354 37.0833 174.8499 169 D 4.5880 7.2007 116.9777 51.1503 44.2207 175.7980 170 K 4.1241 8.1397 127.0359 57.2358 33.2148 174.8593 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 G 8.35 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 0 H 7.54 4.36 0.00 3.16 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 9.05 4.40 0.00 2.69 2.51 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 3 K 8.67 3.26 0.00 1.95 2.08 0.00 1.63 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.75 1.51 7.81 4 K 8.11 4.01 0.00 2.05 2.17 0.00 1.54 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.59 7.81 5 S 7.56 4.09 0.00 3.75 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 6 L 7.56 3.93 0.00 1.61 1.38 0.83 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.03 4.43 0.00 3.05 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 8 K 8.26 4.01 0.00 2.11 2.09 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 9 Y 8.28 4.08 0.00 3.13 3.24 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 10 L 8.41 3.80 0.00 1.87 1.83 1.18 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.99 4.02 0.00 1.97 1.74 0.97 0.73 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 12 L 8.00 4.05 0.00 1.79 1.68 0.96 0.69 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 13 R 7.72 3.90 0.00 1.59 1.31 0.00 3.15 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.08 0.00 14 S 7.93 4.59 0.00 3.85 3.94 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 0.00 0.00 0.00 15 T 7.13 4.44 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 1.24 0.00 0.00 16 G 8.38 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 D 7.77 4.49 0.00 2.65 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 *19 H 8.42 4.57 0.00 3.32 3.37 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.53 3.85 0.00 1.81 1.92 0.00 3.46 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 21 A 8.62 4.23 1.27 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 0.00 0.00 22 K 8.71 4.66 0.00 1.65 1.73 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.53 7.81 23 S 8.69 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 24 P 0.00 4.58 0.00 2.20 2.22 0.00 3.49 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 25 T 8.44 4.53 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 1.22 0.00 0.00 26 I 7.30 4.36 1.91 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 1.36 0.68 0.93 0.00 0.00 *28 T 8.37 4.12 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 1.15 0.00 0.00 29 R 8.59 3.80 0.00 1.61 1.71 0.00 3.18 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.00 30 V 8.41 3.84 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 0.75 0.00 0.00 1.06 0.00 0.00 31 T 7.10 4.78 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 1.26 0.00 0.00 32 N 9.05 4.39 0.00 2.68 3.06 0.00 0.00 6.65 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 33 N 8.78 5.10 0.00 2.94 2.87 0.00 0.00 6.59 7.35 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 34 V 7.66 4.82 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 1.00 0.00 0.00 0.94 0.00 0.00 35 Y 9.69 5.21 0.00 3.08 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 36 L 8.91 5.26 0.00 1.65 1.59 1.10 1.19 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 37 G 8.76 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 38 N 9.22 5.58 0.00 3.07 3.15 0.00 0.00 7.07 7.45 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 39 Y 8.75 3.74 0.00 3.16 2.94 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 0.00 0.00 0.00 40 K 8.27 4.09 0.00 1.82 1.97 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.52 7.81 41 N 9.00 4.41 0.00 2.82 2.81 0.00 0.00 6.93 7.80 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 42 A 7.00 3.52 0.64 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 0.00 0.00 *44 D 8.15 4.43 0.00 2.80 2.74 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 45 A 7.68 3.92 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 46 P 0.00 4.30 0.00 2.05 2.14 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 47 S 7.83 4.63 0.00 4.01 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 48 S 7.73 4.64 0.00 3.95 4.15 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 49 E 8.79 4.04 0.00 1.96 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 2.31 2.25 0.00 50 V 7.21 3.44 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 -0.56 0.00 0.00 0.65 0.00 0.00 51 K 7.79 4.30 0.00 1.67 1.68 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.49 7.81 52 F 8.04 4.40 0.00 3.02 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 53 K 8.88 4.30 0.00 1.39 1.38 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.50 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0.00 0.00 0.00 0.00 0.00 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 T 8.43 4.72 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 1.20 0.00 0.00 65 L 8.02 4.69 0.00 1.70 1.63 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.26 0.00 2.18 2.21 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 67 N 8.07 4.52 0.00 2.72 2.90 0.00 0.00 6.87 7.57 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 68 S 7.48 4.60 0.00 3.93 3.88 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 69 N 8.34 4.89 0.00 2.66 2.78 0.00 0.00 7.02 7.94 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 70 I 7.43 4.17 1.88 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 1.46 0.67 0.99 0.00 0.00 71 N 9.16 4.78 0.00 2.61 2.86 0.00 0.00 6.82 7.67 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 72 I 8.35 4.72 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 0.56 0.00 0.00 73 I 8.75 4.34 1.63 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.54 0.67 0.00 0.00 74 H 8.73 5.24 0.00 2.96 3.09 0.00 5.69 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.52 4.27 1.60 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.94 0.23 0.00 0.00 76 P 0.00 5.18 0.00 2.02 1.98 0.00 3.11 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.70 0.00 77 L 8.01 4.75 0.00 1.44 1.54 0.69 0.28 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 78 V 8.35 3.92 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 0.83 0.00 0.00 0.96 0.00 0.00 79 D 8.53 4.86 0.00 2.78 2.62 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 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0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 132 S 8.52 4.38 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.40 4.62 0.00 1.56 1.58 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.67 0.00 2.49 2.42 0.00 3.84 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 2.20 2.08 0.00 *136 L 8.51 4.41 0.00 1.98 2.01 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.20 4.30 0.00 3.14 3.26 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 0.00 138 F 8.81 4.13 0.00 3.35 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 0.00 139 L 8.21 3.97 0.00 2.03 1.86 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.50 4.15 0.00 3.13 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 0.00 141 V 7.47 2.98 1.73 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 0.62 0.00 0.00 0.17 0.00 0.00 142 Y 7.55 4.06 0.00 2.39 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 0.00 143 H 8.25 4.29 0.00 3.26 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 7.66 4.32 0.00 3.64 3.55 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 *146 R 8.00 4.12 0.00 1.48 1.76 0.00 3.14 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 147 D 8.18 4.36 0.00 2.90 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 0.00 148 L 8.14 4.02 0.00 1.49 1.50 0.86 0.74 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 0.00 149 R 7.71 4.10 0.00 1.82 1.99 0.00 3.24 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 150 G 9.87 4.08 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 0.00 0.00 0.00 151 A 7.36 4.77 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 0.00 152 F 10.13 4.44 0.00 2.74 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 0.00 153 V 7.98 3.35 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 0.90 0.00 0.00 0.02 0.00 0.00 154 E 8.59 4.08 0.00 2.03 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 0.00 2.40 2.43 0.00 155 N 8.21 4.36 0.00 2.43 2.43 0.00 0.00 6.97 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 0.00 156 P 0.00 4.26 0.00 2.28 2.28 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 157 S 8.04 4.11 0.00 3.94 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 0.00 158 F 8.64 4.68 0.00 3.29 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 0.00 159 K 8.22 4.18 0.00 2.01 1.93 0.00 1.29 0.00 0.00 1.14 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.50 7.81 160 R 8.43 3.89 0.00 2.02 2.17 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 161 Q 8.43 4.10 0.00 2.56 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 162 I 8.12 3.79 2.21 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.55 1.18 0.00 0.00 163 I 7.97 3.36 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.26 0.73 0.00 0.00 164 E 8.13 3.93 0.00 2.09 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 2.40 0.00 165 K 8.09 3.94 0.00 1.85 0.83 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.68 7.81 166 Y 8.21 4.77 0.00 3.05 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 0.00 167 V 7.92 4.23 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 0.78 0.00 0.00 0.75 0.00 0.00 168 I 7.64 4.39 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 1.52 0.77 0.85 0.00 0.00 169 D 7.20 4.59 0.00 2.69 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 0.00 170 K 8.14 4.12 0.00 1.81 1.82 0.00 1.77 0.00 0.00 1.98 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.