NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4893 8.3049 118.1943 54.9981 32.5910 174.2564 2 L 4.5702 8.6913 119.5536 50.9301 44.7146 175.8798 3 D 4.8025 8.7006 124.6928 51.9741 43.7762 176.8826 4 A 3.9266 8.6592 120.8667 55.1804 18.0737 179.9787 5 F 4.0218 7.8897 115.5764 60.8284 39.2193 177.6445 6 A 4.1035 9.2472 120.6700 54.9130 18.1162 179.6142 7 K 3.9085 8.1728 118.4266 59.6007 32.2299 179.2820 8 V 3.8505 7.5620 119.7036 65.4821 31.4644 178.1380 9 V 3.5660 7.9321 117.8066 65.9897 31.3994 177.8279 10 A 4.0484 8.6251 120.8159 55.2905 18.2590 179.6781 11 Q 3.9496 8.2635 116.3722 58.9636 28.6910 178.8417 12 A 4.0894 8.2275 122.0001 55.1831 18.4482 179.2084 13 D 4.1701 8.6208 116.8298 57.3517 41.0412 178.2998 14 A 4.1934 7.7455 120.0384 54.4607 18.4245 178.7555 15 R 4.3880 7.3759 112.7495 55.0856 30.7013 176.5173 16 G 3.9215 8.3375 107.2090 46.7701 0.0000 173.6121 17 E 4.8032 8.0547 117.4508 53.7016 32.7333 176.5432 18 F 4.1587 8.6870 119.9704 56.8754 39.7551 175.5114 19 L 4.2917 8.4136 122.9355 55.1083 42.1273 178.2123 20 S 4.5787 10.0119 119.0871 57.5985 65.4842 175.3411 21 N 4.3778 8.5569 118.9647 56.9075 38.2485 177.8591 22 T 3.9398 7.8534 116.6112 66.4506 68.4941 176.8392 23 Q 3.9958 8.2779 120.3068 59.0418 28.7643 178.6844 24 L 4.0394 8.3968 120.4244 57.7776 41.5374 179.3382 25 D 4.3439 8.5494 119.1073 57.3944 40.8721 178.7251 26 A 3.9897 8.1560 121.2331 55.1173 18.4809 179.7233 27 L 3.9592 8.3071 117.5896 57.8197 41.7650 179.5419 28 A 4.0904 8.2451 120.9810 55.1727 18.2956 179.1826 29 N 4.3047 8.3976 115.7436 56.9599 38.7543 177.0237 30 M 4.0547 7.7927 119.1802 58.4734 32.3716 178.3757 31 I 3.9668 7.8879 119.2791 64.5301 37.0968 178.3870 32 A 4.1024 7.8295 120.1140 54.8249 18.5096 178.5489 33 E 4.4570 8.2523 115.2526 56.4937 29.6388 178.6049 34 G 3.7201 7.9813 107.9467 48.2041 0.0000 175.6032 35 N 4.3767 8.2316 119.1602 55.8702 38.6054 177.5237 36 K 3.9975 8.0096 119.1996 59.4380 32.2103 179.2244 37 R 3.9503 8.0972 119.0054 59.3696 30.0094 178.5529 38 L 4.0275 8.4324 119.2864 57.9021 41.6366 179.0781 39 D 4.4422 8.4186 119.1872 57.5381 40.8829 179.0696 40 I 3.7594 7.7679 120.1232 64.4391 37.0441 178.7374 41 V 3.6592 7.8659 119.1717 65.9524 31.3786 177.6159 42 N 4.3215 8.7766 117.2848 56.5416 38.4952 177.1387 43 R 3.9691 7.8235 119.0200 59.1331 30.5073 178.7904 44 I 3.8975 7.6899 119.1230 64.5052 36.7921 178.0452 45 N 4.3059 8.3904 117.5492 56.7450 38.2620 177.5627 46 S 4.3640 8.5207 114.4713 60.1752 63.0925 174.7701 47 N 4.9544 7.7844 117.7852 52.5774 39.6398 175.8936 48 A 4.0251 7.9878 122.9128 55.6051 18.3522 180.8166 49 S 4.0716 8.0598 111.8118 61.4668 63.1293 176.3472 50 A 3.9891 7.9220 123.9139 54.9235 18.1045 179.3579 51 I 3.6392 8.0988 118.7826 64.5091 37.1428 178.9010 52 V 3.6353 7.9620 118.8688 66.2511 31.4167 178.3868 53 S 4.1620 8.5440 115.2589 61.7223 62.7215 176.5145 54 N 4.3477 8.6215 119.6358 56.3526 38.1399 177.7418 55 S 4.0654 7.8833 116.5842 61.3734 62.9168 176.5571 56 A 3.5891 8.1240 123.5907 54.8979 18.1012 179.7397 57 R 3.9275 8.2881 116.7308 59.4921 30.2233 179.1264 58 A 3.9205 7.9062 120.2976 54.9322 18.3009 179.2323 59 L 3.7065 7.8707 119.1593 58.5292 42.1095 179.3939 60 F 4.4556 7.9767 117.1243 59.9632 38.5602 177.7345 61 A 4.1627 7.8237 120.3895 55.2060 18.3075 179.2428 62 E 4.1878 8.1754 115.8604 58.0649 31.1598 177.5241 63 Q 4.6151 8.1409 117.6891 53.1503 29.4625 174.0284 64 P 4.5930 0.0000 0.0000 64.5814 31.9445 179.3987 65 Q 4.1575 8.0728 116.7959 58.2967 28.9714 178.2150 66 L 4.1402 8.3612 119.9021 57.0311 41.7441 178.2426 67 I 4.3823 7.4311 109.2455 60.4283 38.2577 175.9838 68 Q 4.0999 7.4582 120.0140 54.8988 29.1803 173.8361 69 P 2.9700 0.0000 0.0000 63.9513 31.5713 176.6648 70 G 4.1005 8.5275 111.3030 45.4874 0.0000 175.0636 71 G 4.3573 8.2895 113.3270 44.6025 0.0000 175.0766 *73 A 4.0632 8.6302 127.9382 51.3513 19.7309 176.0344 74 Y 4.2876 7.7925 119.1966 59.1632 39.7483 175.8917 75 T 3.1079 7.4770 112.5127 62.1214 68.8390 172.6409 76 N 4.2259 8.2966 119.8372 56.1491 38.4877 177.7973 77 R 3.8504 7.7769 120.0014 59.5514 30.2072 178.6642 78 R 3.9596 7.7311 117.8392 59.2492 30.0157 178.6431 79 M 3.9564 8.2886 118.1839 58.5259 32.1247 178.2048 80 A 3.9912 8.5565 121.1893 54.9320 18.4518 179.4513 81 A 3.9599 8.1756 119.5518 55.3120 18.4459 179.4374 82 C 4.1242 8.3941 117.3369 62.7794 31.6495 175.8583 83 L 4.0831 8.2248 120.7274 57.6557 41.1248 179.4478 84 R 3.9068 8.2772 118.8302 59.6472 30.0073 178.2286 85 D 4.4435 8.4970 118.9359 57.7328 40.7446 178.8408 86 M 4.1057 8.2543 119.0719 58.4519 32.0217 178.4208 87 E 3.9349 8.5365 119.7300 59.2645 29.6947 178.9327 88 I 3.7355 8.4411 120.2931 64.4091 37.2293 178.5895 89 V 3.6476 8.2781 119.5336 65.8267 31.2782 177.8189 90 L 3.9353 8.2251 120.3201 58.0861 41.9547 178.9279 91 R 3.4392 8.3007 118.2707 59.6275 29.9818 178.7790 92 Y 3.6377 7.7703 116.1060 60.6191 37.7010 178.7817 93 V 3.3961 7.7255 119.7881 65.7566 31.5662 178.2898 94 S 4.0528 8.0011 114.2232 61.4094 62.7109 176.2259 95 Y 4.2457 7.5755 120.3186 61.0019 37.5945 178.0580 96 A 4.0706 7.9947 123.1064 54.3810 17.9610 179.3512 97 E 3.9807 8.1142 118.1073 59.4701 29.5293 178.9099 98 I 3.7807 7.6273 117.5303 63.8481 38.2699 177.4398 99 A 4.2276 8.3681 122.0128 52.7730 17.8779 178.8970 100 G 4.1875 8.6651 104.0947 45.5309 0.0000 172.7735 101 D 4.7451 7.3730 117.5706 51.6818 44.1970 175.8587 102 S 4.3109 8.8295 120.1192 59.1295 63.4050 176.0612 103 S 4.1249 8.4801 119.8572 62.1080 62.4428 177.0058 104 V 3.6507 7.7555 122.2136 64.1690 31.1521 178.0362 105 L 3.8730 7.7938 120.4131 57.9640 42.0563 178.2914 106 D 4.2775 8.3328 119.1396 57.7368 40.6186 178.7230 107 D 4.3062 8.0515 117.8465 56.9546 41.0537 177.9096 108 R 4.1958 7.7364 116.2566 56.9263 30.9188 175.9332 109 C 4.2636 7.4473 114.3871 60.7290 33.6057 174.9391 110 L 4.0239 8.3043 119.7575 57.2548 41.4561 177.3239 111 N 4.3524 8.0971 117.7083 55.1486 39.1835 175.1115 112 G 4.0938 8.9451 112.8831 45.7143 0.0000 174.7902 113 L 3.7156 7.8399 121.9036 57.7972 41.9505 178.7799 114 R 3.9931 7.8950 118.4256 59.5367 30.0108 178.2507 115 E 4.0349 8.0899 117.9029 59.4821 29.5008 179.3610 116 T 3.7941 7.6255 115.7454 66.8682 68.4445 176.3533 117 Y 4.4681 7.8591 118.6288 61.1763 37.6350 178.6733 118 Q 4.0195 8.0706 117.7284 59.1323 28.9893 178.5946 119 A 4.1374 8.0112 120.1880 54.9337 18.4219 179.0748 120 L 4.3202 7.9373 116.4169 55.3435 41.9700 178.1534 121 G 3.9294 8.2287 106.3862 45.6982 0.0000 173.0141 122 T 4.1608 7.7121 116.4027 61.6747 69.2653 173.2596 123 P 4.4622 0.0000 0.0000 62.4789 32.1131 177.2903 124 G 3.5897 8.7132 110.9345 47.8396 0.0000 174.6967 125 S 4.1563 8.0580 116.8166 61.6035 62.7411 176.8984 126 S 4.0886 7.8979 117.3926 61.3641 62.6400 176.6050 127 V 3.4297 7.4158 120.3999 65.9442 31.1532 177.8989 128 A 3.9932 8.3100 120.8882 55.1099 18.0649 179.8431 129 V 3.4452 7.7181 116.5132 66.0540 31.6507 177.9809 130 A 3.8793 8.1426 120.7697 55.3946 18.1544 179.7263 131 I 3.7727 7.9653 118.2602 64.4911 37.1210 178.3324 132 E 3.8926 8.4112 120.4995 59.0467 29.3588 179.0040 133 K 3.8757 8.2678 118.9471 59.6689 32.0831 179.2591 134 M 3.9472 8.0076 118.9913 57.9641 31.8236 178.6536 135 K 2.0000 7.4264 119.6694 58.8173 32.2562 178.5658 136 E 3.7827 7.9815 118.5565 59.4283 29.3971 179.3085 137 A 3.9466 7.9899 120.7656 55.3313 18.3478 179.9364 138 S 4.1313 8.3532 114.1215 61.6040 62.9910 177.0962 139 V 3.6034 8.3679 121.4683 65.7767 31.0107 178.0521 140 S 4.0778 7.8256 112.3084 61.4650 62.5303 175.6126 141 D 4.4721 8.1880 121.4000 57.3339 40.3713 178.6004 142 A 4.0891 8.0894 120.2810 54.5510 18.4068 178.3580 143 N 4.8402 7.6735 112.4114 52.2762 39.0477 174.4334 144 D 4.6110 7.6364 121.9409 53.1013 41.4033 176.1198 145 S 4.4905 8.4906 120.3152 58.0205 63.7241 173.9111 146 S 4.2514 8.6581 118.0189 60.0123 62.3434 174.1113 147 G 4.0518 10.1805 115.8793 45.3865 0.0000 172.7666 148 T 4.7131 7.8169 108.7115 58.8613 71.9305 171.6988 149 P 4.3807 0.0000 0.0000 62.5348 31.9516 176.4924 150 S 4.2059 8.6737 117.5000 58.2206 63.0286 173.6118 151 G 3.8423 7.8373 113.2680 45.9029 0.0000 171.2104 152 D 4.6759 8.7658 119.7001 53.4213 41.4124 175.9359 153 C 4.8743 8.4392 123.8194 59.3988 29.3967 176.0529 154 S 4.1120 8.3283 118.8316 61.8921 62.1809 176.6794 155 S 4.1020 7.9732 118.0649 61.2269 62.6374 176.3575 156 L 4.0011 7.8738 121.1771 58.0847 41.4633 179.6769 157 S 4.1601 8.4351 115.0317 61.4787 62.6971 176.6689 158 A 4.0081 7.9950 123.4705 54.9761 17.9606 179.3342 159 E 3.6359 8.2744 118.0814 59.0368 29.7563 178.7228 160 L 4.3865 7.7945 122.3397 57.7035 42.1722 179.1871 161 G 3.8081 8.2156 105.5928 48.2473 0.0000 175.7343 162 T 3.8578 7.8646 117.9383 66.5741 68.3720 176.4157 163 Y 4.2985 7.3298 118.6260 61.0548 37.8117 178.3765 164 F 4.1184 8.1222 118.2258 60.7440 39.0047 177.3379 165 D 4.4350 8.4539 118.4624 57.6176 40.7277 179.1090 166 R 3.9379 8.3868 118.3906 59.1781 29.7038 178.9939 167 A 3.9903 8.1230 120.2187 55.2380 18.2346 179.5561 168 A 4.0857 8.0925 118.1053 55.5298 18.2977 179.7942 169 S 4.2385 8.4895 113.5933 61.4810 62.6781 176.6382 170 A 3.8656 7.8843 122.4428 54.5044 18.2087 179.1702 171 V 4.1597 7.3634 107.9829 62.2245 32.0134 176.4201 172 S 4.3027 7.5730 118.6001 58.3829 63.0656 173.7060 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 8.30 4.49 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 2 L 8.69 4.57 0.00 1.61 1.58 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.70 4.80 0.00 3.23 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 4 A 8.66 3.93 1.06 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 5 F 7.89 4.02 0.00 3.30 3.14 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 0.00 0.00 0.00 6 A 9.25 4.10 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 7 K 8.17 3.91 0.00 1.85 1.94 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 8 V 7.56 3.85 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 1.09 0.00 0.00 0.93 0.00 0.00 9 V 7.93 3.57 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 0.94 0.00 0.00 1.01 0.00 0.00 10 A 8.63 4.05 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 11 Q 8.26 3.95 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 12 A 8.23 4.09 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 13 D 8.62 4.17 0.00 2.72 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 14 A 7.75 4.19 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 15 R 7.38 4.39 0.00 1.85 1.98 0.00 3.55 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 16 G 8.34 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 17 E 8.05 4.80 0.00 1.93 1.89 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 2.27 2.38 0.00 18 F 8.69 4.16 0.00 3.02 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 19 L 8.41 4.29 0.00 1.71 1.66 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 S 10.01 4.58 0.00 3.95 4.03 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 0.00 0.00 0.00 21 N 8.56 4.38 0.00 2.76 2.92 0.00 0.00 6.82 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 22 T 7.85 3.94 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 23 Q 8.28 4.00 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 24 L 8.40 4.04 0.00 1.68 1.75 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.55 4.34 0.00 2.86 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 26 A 8.16 3.99 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 27 L 8.31 3.96 0.00 1.95 1.96 1.04 1.36 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 28 A 8.25 4.09 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 29 N 8.40 4.30 0.00 2.85 2.99 0.00 0.00 7.21 7.47 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 30 M 7.79 4.05 0.00 1.90 2.20 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.38 0.00 31 I 7.89 3.97 2.11 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 1.88 1.03 0.95 0.00 0.00 32 A 7.83 4.10 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 33 E 8.25 4.46 0.00 2.17 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 2.39 2.48 0.00 34 G 7.98 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.23 4.38 0.00 2.76 2.91 0.00 0.00 7.01 7.68 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 36 K 8.01 4.00 0.00 1.98 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 37 R 8.10 3.95 0.00 2.05 2.14 0.00 3.17 0.00 0.00 3.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 38 L 8.43 4.03 0.00 1.87 1.72 0.94 0.99 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 39 D 8.42 4.44 0.00 2.88 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 40 I 7.77 3.76 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.99 0.00 0.00 41 V 7.87 3.66 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 1.16 0.00 0.00 1.03 0.00 0.00 42 N 8.78 4.32 0.00 2.93 2.94 0.00 0.00 7.21 7.66 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 43 R 7.82 3.97 0.00 2.08 2.01 0.00 3.25 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 44 I 7.69 3.90 2.03 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 1.63 1.25 0.94 0.00 0.00 45 N 8.39 4.31 0.00 2.85 2.89 0.00 0.00 7.13 7.92 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 46 S 8.52 4.36 0.00 3.85 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 47 N 7.78 4.95 0.00 2.96 2.77 0.00 0.00 6.68 7.88 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 48 A 7.99 4.03 1.38 0.00 0.00 0.00 0.00 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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 75 T 7.48 3.11 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 0.65 0.00 0.00 76 N 8.30 4.23 0.00 2.68 2.85 0.00 0.00 6.63 7.66 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 77 R 7.78 3.85 0.00 1.83 1.87 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 78 R 7.73 3.96 0.00 2.01 1.96 0.00 3.22 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 79 M 8.29 3.96 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 80 A 8.56 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.18 3.96 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.39 4.12 0.00 3.16 3.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.67 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 0.00 0.00 0.00 0.00 101 D 7.37 4.75 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 0.00 102 S 8.83 4.31 0.00 4.16 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 0.00 103 S 8.48 4.12 0.00 4.07 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 0.00 104 V 7.76 3.65 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 0.93 0.00 0.00 1.14 0.00 0.00 105 L 7.79 3.87 0.00 1.77 1.87 0.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.33 4.28 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 0.00 107 D 8.05 4.31 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 125 S 8.06 4.16 0.00 3.86 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 0.00 126 S 7.90 4.09 0.00 3.98 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 0.00 127 V 7.42 3.43 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 0.98 0.00 0.00 0.27 0.00 0.00 128 A 8.31 3.99 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 0.00 129 V 7.72 3.45 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 1.02 0.00 0.00 0.96 0.00 0.00 130 A 8.14 3.88 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 0.00 131 I 7.97 3.77 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.92 1.13 0.00 0.00 132 E 8.41 3.89 0.00 2.04 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 2.26 2.33 0.00 133 K 8.27 3.88 0.00 1.89 1.76 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.57 7.81 134 M 8.01 3.95 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.69 0.00 135 K 7.43 2.00 0.00 0.87 1.57 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.17 1.29 7.81 136 E 7.98 3.78 0.00 2.08 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 0.00 2.25 2.40 0.00 137 A 7.99 3.95 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 0.00 138 S 8.35 4.13 0.00 3.86 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 0.00 139 V 8.37 3.60 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 0.98 0.00 0.00 0.97 0.00 0.00 140 S 7.83 4.08 0.00 3.89 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 0.00 141 D 8.19 4.47 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.09 4.09 1.43 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 0.00 0.00 143 N 7.67 4.84 0.00 2.86 2.86 0.00 0.00 6.91 7.90 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 0.00 144 D 7.64 4.61 0.00 2.64 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 0.00 145 S 8.49 4.49 0.00 4.05 4.09 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 0.00 146 S 8.66 4.25 0.00 3.80 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 0.00 147 G 10.18 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 0.00 0.00 0.00 148 T 7.82 4.71 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 0.00 149 P 0.00 4.38 0.00 2.07 2.04 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 150 S 8.67 4.21 0.00 3.83 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 0.00 151 G 7.84 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 0.00 0.00 0.00 152 D 8.77 4.68 0.00 2.63 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 0.00 153 C 8.44 4.87 0.00 3.00 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 0.00 154 S 8.33 4.11 0.00 4.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.97 4.10 0.00 3.89 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 0.00 156 L 7.87 4.00 0.00 1.86 1.75 0.95 0.97 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 0.00 157 S 8.44 4.16 0.00 3.86 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 0.00 158 A 7.99 4.01 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 0.00 159 E 8.27 3.64 0.00 2.02 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 0.00 1.93 2.02 0.00 160 L 7.79 4.39 0.00 1.98 1.92 1.08 1.04 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 0.00 161 G 8.22 3.81 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 0.00 0.00 0.00 162 T 7.86 3.86 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 1.07 0.00 0.00 163 Y 7.33 4.30 0.00 2.95 2.79 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 0.00 164 F 8.12 4.12 0.00 3.29 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 0.00 165 D 8.45 4.43 0.00 2.88 2.76 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 0.00 166 R 8.39 3.94 0.00 2.07 2.04 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 167 A 8.12 3.99 1.43 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 0.00 0.00 168 A 8.09 4.09 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 0.00 169 S 8.49 4.24 0.00 3.90 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 0.00 170 A 7.88 3.87 1.41 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 0.00 171 V 7.36 4.16 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 1.02 0.00 0.00 1.10 0.00 0.00 172 S 7.57 4.30 0.00 3.75 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 * Residues marked with a * may have inaccurate shift predictions.