NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6957 8.3549 109.7285 45.1927 0.0000 172.3310 *2 F 4.6417 8.4554 118.8133 57.7122 39.6074 174.0000 3 T 4.7703 8.2648 114.5616 60.6379 72.5467 172.1986 4 C 4.6517 8.7521 121.1207 57.4261 34.0343 172.9960 5 K 4.3744 8.6575 129.0201 55.7895 31.5806 176.7810 6 V 3.7224 8.6469 128.6481 65.2587 31.8311 175.2696 7 N 4.7452 7.4694 114.0592 52.0033 39.2310 173.9041 8 E 3.9618 8.7911 118.2564 58.9433 29.7397 177.0581 9 H 4.6643 9.0453 113.9829 55.6040 32.3659 173.2708 10 I 4.9663 7.7637 120.2027 59.5372 39.3841 175.0433 11 T 5.1386 8.8009 116.8623 59.8535 72.5050 172.7439 12 I 5.0741 8.4015 124.0778 59.7109 40.0369 174.8699 13 R 4.8662 8.3536 121.0320 54.5530 33.0608 174.4597 14 L 4.2952 8.2425 120.1775 54.8669 42.3149 177.2431 15 L 4.5014 8.4047 121.7947 54.4317 42.8688 176.0187 16 E 4.8719 9.1114 118.8982 53.2832 33.4701 175.3339 17 P 4.1252 0.0000 0.0000 65.9801 31.1459 178.6057 18 K 4.2367 7.9525 114.5883 58.7289 32.8591 177.7498 19 D 4.5635 9.0554 120.9964 55.1980 40.9061 177.7263 20 A 4.0150 8.0935 122.7849 55.3909 18.4554 179.0383 21 E 3.8928 8.3116 116.0997 60.1287 29.5961 179.9967 22 R 3.9445 7.9644 116.9443 59.0693 30.1790 178.7831 23 L 3.9132 8.2779 120.1803 58.2008 42.1450 178.8517 24 A 3.9365 8.2797 121.1003 55.1306 18.3013 179.2684 25 E 3.8683 8.3047 117.7922 59.3660 29.7245 178.7981 26 L 4.0458 8.1339 120.2349 57.9950 41.8354 178.7793 27 I 3.6664 7.4572 118.9293 63.5939 37.2792 177.8015 28 I 3.9506 7.5005 120.0460 63.7922 37.0279 177.8225 29 Q 4.0813 8.0488 120.1374 60.0149 29.3774 175.6465 30 N 4.9765 7.6591 116.4290 51.1880 42.4554 172.4164 31 Q 4.2636 8.4884 121.8070 57.5605 27.0398 174.7761 32 Q 4.7290 7.9761 114.8751 55.3461 30.7254 175.1298 33 R 4.4024 8.0436 115.3570 56.1748 29.2675 175.6117 34 L 3.9017 9.1467 114.5036 55.2483 40.5200 175.1396 35 G 4.0202 9.2110 109.5999 47.1750 0.0000 176.0477 36 K 3.9209 8.2325 119.4043 58.2605 32.0945 178.0503 37 W 4.3676 8.3645 116.2114 55.6257 29.4585 175.7474 38 L 3.6933 8.2525 117.8851 55.6027 38.9992 175.2940 39 F 4.5733 8.1433 121.7837 57.1271 40.1427 172.7984 *40 F 4.7195 8.1727 124.2121 54.3674 39.4984 174.4156 41 A 3.9731 8.8779 132.2949 53.1925 18.6263 178.0404 42 E 4.1005 8.5566 117.0812 56.6450 28.0703 177.8232 43 N 4.9190 7.5725 122.6535 49.3145 38.2446 175.7057 44 P 4.6634 0.0000 0.0000 61.3175 32.3194 175.8096 45 S 4.5218 8.7261 114.5119 60.0834 63.4389 173.0379 46 S 4.8239 8.7186 111.2291 56.8226 64.0566 177.0241 47 A 4.1893 8.4225 131.6375 55.6060 17.8175 178.8408 48 D 4.2725 8.0572 116.7566 57.8648 41.0798 178.6581 49 T 3.7427 7.7127 115.9869 67.0503 68.4428 176.2663 50 Y 3.8513 7.8103 117.8798 60.8920 37.6697 178.5615 51 R 3.9837 7.7045 118.7815 59.0428 30.3341 177.6749 52 E 4.3752 8.4757 116.9076 57.4108 30.1531 176.3002 53 T 4.3787 7.3956 112.8167 64.7015 71.3316 176.1651 54 I 3.2019 7.7177 121.6745 64.3005 36.9968 178.7965 55 I 3.7309 7.8864 121.0681 63.6021 36.9522 176.5291 56 P 4.2517 0.0000 0.0000 65.9232 31.3211 178.2538 57 D 4.3944 8.2503 117.7250 57.1976 40.7218 178.8451 58 W 4.5987 7.9662 119.4149 60.1119 29.2000 178.6573 59 R 4.1523 8.2939 117.8932 59.5702 29.5390 179.3819 60 R 4.1176 8.1297 117.5505 59.0070 29.9527 179.1517 61 Q 4.1102 8.1264 118.2610 59.0997 28.5487 177.9369 62 Y 4.2256 8.3867 120.3051 60.3822 38.5221 177.9836 63 A 3.7694 7.6551 121.0221 54.8932 18.8104 178.9288 64 D 4.3860 8.2930 115.6513 55.0380 40.9036 176.6430 65 L 3.7041 7.3834 118.5630 55.8618 39.2926 174.0349 66 N 5.0626 9.3755 112.9399 50.3936 37.3957 173.7922 67 G 4.2421 7.1332 106.2119 46.3025 0.0000 171.5855 68 I 4.6767 8.2927 119.8200 59.4479 41.0247 174.9505 69 E 4.5648 8.9683 125.6835 54.5572 31.0180 174.8753 70 A 4.7675 8.6227 125.9261 49.7336 22.6392 175.3360 71 G 3.8494 9.0953 106.6617 45.0531 0.0000 172.9208 72 L 4.8265 8.4992 123.3288 53.0210 43.6961 175.5768 73 L 4.9885 8.5204 123.5030 52.9515 45.3264 174.6711 74 Y 4.6825 8.3430 125.0206 56.3370 40.6000 175.1271 75 D 4.2825 9.9343 127.2968 55.6858 39.3401 174.1173 76 G 4.0674 8.1424 109.8221 45.4875 0.0000 175.2080 77 S 4.6596 8.0553 113.2984 55.4714 65.8079 173.2249 78 L 4.0550 8.3921 121.3508 55.9096 41.5766 176.8893 79 C 4.3704 9.3964 116.3876 56.4151 31.8447 174.6374 80 G 3.3391 6.5855 109.9125 45.6647 0.0000 173.0819 *82 I 4.2920 7.5171 125.0374 61.2281 39.6642 173.5639 83 S 5.0020 8.4531 117.8432 57.1831 66.4601 173.0707 84 L 5.2953 9.0228 128.2991 53.7314 44.8630 174.9064 85 H 4.9559 8.7430 121.3047 54.1284 32.8198 172.2230 86 N 4.1605 8.6434 111.7359 54.3127 35.8024 174.8863 87 L 4.2561 7.7895 118.5471 54.7665 42.8545 175.4845 88 D 4.8128 8.6775 127.0559 52.0482 41.2578 176.0951 89 Q 4.0571 8.4015 125.8138 58.4945 29.3469 179.5971 90 V 3.6385 7.9442 116.8256 65.9624 31.6338 176.4199 91 N 4.5960 8.1646 113.3040 53.0065 38.7088 175.0464 92 R 3.8950 7.7592 115.9491 56.9203 27.9641 175.4169 93 K 5.4265 8.1694 114.7159 55.0267 37.0706 174.3068 94 A 5.2730 8.0073 119.8879 52.4849 22.6378 174.7138 95 E 5.2347 9.0061 118.2812 54.7858 33.2393 175.5280 96 I 4.9775 8.7921 122.6904 59.7575 39.7422 175.2847 97 G 4.2153 9.0188 112.6457 44.5544 0.0000 170.5930 98 Y 5.1454 7.7605 115.7367 56.4870 39.5505 172.8064 99 W 5.3854 7.6772 116.6263 55.5991 31.8139 173.2345 100 I 4.3440 7.6255 119.2169 58.9760 40.9375 174.5135 101 A 4.5725 8.6202 127.7603 51.5064 19.3247 179.0573 102 K 3.8821 8.6709 121.3229 59.7771 32.1828 179.4029 103 E 3.6799 8.2130 115.4491 58.1828 29.3343 177.3402 104 F 4.4447 8.0241 116.3838 56.7327 39.9635 175.3569 105 E 4.0115 8.7805 122.6026 57.7365 29.6368 177.2146 106 G 3.9050 9.0453 110.2006 45.8735 0.0000 173.8059 107 K 4.3948 7.9180 115.5819 55.2309 32.3783 176.2489 108 G 3.9436 8.0665 106.7821 47.0634 0.0000 176.8114 109 I 3.7143 7.8902 121.7196 64.0564 37.1390 177.8138 110 I 3.4758 7.5547 119.9879 64.8911 36.9631 177.9350 111 T 3.7820 7.8914 115.5048 66.7126 68.0036 175.7410 112 A 3.9835 7.8050 121.0806 55.6332 18.4376 179.6562 113 A 3.9243 8.1851 118.9860 55.4135 18.4376 179.5441 114 C 4.0724 8.7716 115.8534 62.9941 28.1013 176.5115 115 R 4.0239 8.1569 119.5191 59.3688 29.7217 179.0544 116 K 3.9582 7.7626 117.9474 59.6174 32.0329 179.0515 117 L 4.0013 7.8848 120.3788 58.1304 41.9640 179.1339 118 I 3.3726 8.3950 120.0811 64.6522 37.0718 178.2923 119 T 4.0894 8.1253 116.8531 67.2000 68.2075 175.5524 120 Y 4.1247 8.1609 120.8395 60.6350 38.7845 178.0574 121 A 3.7060 7.9582 121.6650 55.1839 18.5621 179.5345 122 F 4.5945 8.2401 115.9330 59.0777 38.7038 177.0201 123 E 4.8563 8.2596 117.0026 55.8357 30.1764 175.7230 124 E 4.6938 7.9655 117.1776 57.9754 36.0963 176.5319 125 L 4.0419 7.0244 115.5351 54.6706 42.0248 176.5889 126 E 4.0695 7.9658 116.0446 55.9097 27.0313 174.7744 127 L 4.3018 7.6501 116.8620 55.0839 42.6670 176.5644 128 N 4.7947 9.7753 119.3840 54.2488 41.0132 174.5236 129 R 5.1978 7.9616 117.6291 54.3771 33.9522 174.4396 130 V 4.7801 8.6687 123.6739 61.1802 35.2221 173.9982 131 A 5.6742 9.2420 128.4183 50.3846 23.0710 174.7825 132 I 5.0215 9.2944 119.3618 59.7559 41.4480 174.6236 133 C 5.2305 8.2197 119.4405 56.6591 33.0841 172.2334 134 A 4.3486 7.8987 118.3018 50.8140 23.0380 175.5014 135 A 4.2977 7.7318 121.6438 51.8601 18.8354 178.8499 136 V 3.3518 8.4393 123.6712 65.0888 32.1620 177.3472 137 G 4.0646 7.8284 107.0801 45.7212 0.0000 174.2211 138 N 4.6701 7.9123 117.1532 51.4396 35.7075 173.6074 139 E 3.8778 7.7605 126.2040 59.8122 30.0421 179.5004 140 K 3.9598 8.0005 116.2325 59.4303 32.3690 179.0827 141 S 4.2041 7.9543 113.1530 61.5087 61.8734 176.0967 142 R 3.7720 7.9721 120.7258 59.6344 29.7244 178.6431 143 A 3.9997 8.1907 119.9803 54.6306 18.3192 180.0205 144 V 3.3560 8.1106 117.5560 65.6054 31.6662 176.3132 145 P 3.4576 0.0000 0.0000 65.5025 30.5549 178.5359 146 E 4.0113 7.3355 116.2411 59.0676 29.0115 179.5408 147 R 3.9621 7.4335 118.3596 59.3138 30.3919 177.9809 148 I 4.1829 7.4841 116.3632 61.8245 37.2493 176.6108 149 G 3.9685 7.6544 107.1964 45.7797 0.0000 173.7219 150 F 4.5361 8.3392 118.1192 57.1305 40.1823 174.5608 151 L 5.0527 8.6672 119.2838 52.7337 44.8527 176.1798 152 E 4.0982 9.0715 124.2627 56.6423 29.5354 175.9585 153 E 4.5388 9.1716 125.7720 56.1555 32.4779 175.9749 154 G 4.0001 6.9163 103.3168 46.4609 0.0000 171.6601 155 K 5.3520 8.6148 117.3510 54.5388 36.4585 176.1672 156 A 4.6752 9.9565 124.6239 50.1344 20.9160 176.4615 157 R 4.3044 8.6832 122.1299 57.2299 30.6856 176.6360 158 D 4.6156 9.7480 125.1508 55.3350 38.8916 175.7500 159 G 3.7844 8.4131 109.2045 47.2200 0.0000 174.1748 160 L 4.8378 8.0363 121.7538 53.3584 44.4518 174.5379 161 Y 4.6833 8.2974 124.3080 55.5039 39.0623 173.8988 162 V 4.0781 7.7811 123.7813 62.7863 33.5011 176.9339 163 N 3.9174 9.1837 118.8955 54.3865 34.6303 174.5363 164 G 3.9333 8.0529 111.0638 45.5642 0.0000 170.8537 *166 H 4.5200 7.6793 113.7017 55.9143 29.7876 172.3209 167 H 4.9275 8.6461 115.6504 54.5610 33.8027 172.4188 168 D 5.2046 8.6994 119.7644 54.0296 42.0914 175.2421 169 L 5.0580 8.9328 122.2949 53.2110 44.0732 175.7734 170 V 4.3803 8.4196 123.2587 60.3236 33.8890 174.5586 171 Y 4.4964 8.9126 121.5900 56.9686 40.4056 174.2470 172 Y 5.5930 9.0217 118.8814 56.6840 42.7853 174.5636 173 S 5.3740 9.5133 115.9704 56.9406 67.3404 172.4160 174 L 4.7107 8.6312 123.9291 53.2072 44.6336 174.8323 175 L 4.8836 8.4366 126.0168 52.9667 42.9212 177.5234 176 K 2.0000 8.7707 126.2152 58.8037 32.0209 177.2534 177 R 4.2594 7.7199 112.3425 56.5662 29.9405 176.3298 178 E 4.7246 8.4381 119.7914 55.0560 29.8596 175.7976 179 W 4.6696 7.8057 132.9886 57.9554 30.6747 173.5643 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 0 G 8.35 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 0.00 0.00 0.00 *2 F 8.46 4.64 0.00 3.06 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 3 T 8.26 4.77 4.21 0.00 0.00 0.00 0.00 0.00 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 4 C 8.75 4.65 0.00 2.93 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 5 K 8.66 4.37 0.00 1.78 1.71 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.51 7.81 6 V 8.65 3.72 2.19 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 0.85 0.00 0.00 0.93 0.00 0.00 7 N 7.47 4.75 0.00 2.93 2.89 0.00 0.00 5.76 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 8 E 8.79 3.96 0.00 1.86 1.88 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 2.06 2.23 0.00 9 H 9.05 4.66 0.00 2.87 2.59 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.76 4.97 1.84 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 1.32 0.92 0.87 0.00 0.00 11 T 8.80 5.14 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 1.15 0.00 0.00 12 I 8.40 5.07 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.79 0.00 0.00 13 R 8.35 4.87 0.00 1.82 1.90 0.00 2.74 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 14 L 8.24 4.30 0.00 1.41 1.57 0.50 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.40 4.50 0.00 1.84 1.72 1.05 0.91 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 16 E 9.11 4.87 0.00 1.98 1.81 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 2.23 2.25 0.00 17 P 0.00 4.13 0.00 2.18 2.16 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 18 K 7.95 4.24 0.00 1.92 1.95 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 19 D 9.06 4.56 0.00 2.75 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 20 A 8.09 4.02 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.31 3.89 0.00 2.08 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 2.43 2.53 0.00 22 R 7.96 3.94 0.00 1.84 1.97 0.00 3.13 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 23 L 8.28 3.91 0.00 1.79 1.65 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.28 3.94 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 25 E 8.30 3.87 0.00 2.08 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 2.32 2.33 0.00 26 L 8.13 4.05 0.00 2.21 1.91 0.98 0.81 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 27 I 7.46 3.67 1.96 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 0.93 0.67 0.92 0.00 0.00 28 I 7.50 3.95 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 1.44 0.71 0.92 0.00 0.00 29 Q 8.05 4.08 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 30 N 7.66 4.98 0.00 2.45 2.62 0.00 0.00 7.20 8.96 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 31 Q 8.49 4.26 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.42 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 32 Q 7.98 4.73 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 33 R 8.04 4.40 0.00 2.17 1.63 0.00 2.95 0.00 0.00 3.36 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 34 L 9.15 3.90 0.00 1.77 1.76 0.24 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.21 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 36 K 8.23 3.92 0.00 1.81 1.60 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 37 W 8.36 4.37 0.00 3.37 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.25 3.69 0.00 1.78 1.77 0.84 0.59 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 39 F 8.14 4.57 0.00 3.17 2.80 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 *40 F 8.17 4.72 0.00 2.32 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 0.00 0.00 0.00 0.00 41 A 8.88 3.97 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 42 E 8.56 4.10 0.00 2.19 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 2.10 1.86 0.00 43 N 7.57 4.92 0.00 2.70 2.65 0.00 0.00 6.68 7.75 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 44 P 0.00 4.66 0.00 2.09 2.13 0.00 3.68 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 2.05 2.20 0.00 45 S 8.73 4.52 0.00 4.22 4.52 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.66 3.77 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 64 D 8.29 4.39 0.00 2.83 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 65 L 7.38 3.70 0.00 1.76 1.81 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 N 9.38 5.06 0.00 2.80 2.84 0.00 0.00 6.70 6.51 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 67 G 7.13 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 0.00 0.00 0.00 0.00 68 I 8.29 4.68 1.87 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 1.30 0.91 0.81 0.00 0.00 69 E 8.97 4.56 0.00 1.41 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 1.88 1.47 0.00 70 A 8.62 4.77 1.07 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 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0.00 2.09 1.88 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 2.39 2.24 0.00 106 G 9.05 3.91 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 0.00 0.00 0.00 107 K 7.92 4.39 0.00 1.76 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.62 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.47 7.81 108 G 8.07 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 0.00 0.00 0.00 109 I 7.89 3.71 1.81 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 1.68 0.88 0.86 0.00 0.00 110 I 7.55 3.48 1.61 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 1.44 0.74 -0.04 0.00 0.00 111 T 7.89 3.78 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 0.00 112 A 7.80 3.98 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 0.00 113 A 8.19 3.92 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 0.00 114 C 8.77 4.07 0.00 3.02 3.03 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 0.00 115 R 8.16 4.02 0.00 2.06 2.13 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 116 K 7.76 3.96 0.00 1.90 1.89 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.61 7.81 117 L 7.88 4.00 0.00 1.89 1.87 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.39 3.37 2.00 0.00 0.00 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 1.40 0.63 0.34 0.00 0.00 119 T 8.13 4.09 4.63 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 1.49 0.00 0.00 120 Y 8.16 4.12 0.00 3.09 3.18 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 0.00 121 A 7.96 3.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.24 4.59 0.00 2.43 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 0.00 123 E 8.26 4.86 0.00 2.20 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 2.40 2.61 0.00 124 E 7.97 4.69 0.00 1.40 1.68 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 2.21 2.39 0.00 125 L 7.02 4.04 0.00 1.53 1.59 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.97 4.07 0.00 2.06 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 2.22 2.24 0.00 127 L 7.65 4.30 0.00 1.64 1.78 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 128 N 9.78 4.79 0.00 2.63 2.79 0.00 0.00 6.97 7.53 0.00 0.00 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 R 7.96 5.20 0.00 1.91 1.73 0.00 3.20 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 130 V 8.67 4.78 1.80 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 1.03 0.00 0.00 0.59 0.00 0.00 131 A 9.24 5.67 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 9.29 5.02 1.60 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.80 0.00 0.00 133 C 8.22 5.23 0.00 2.04 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 0.00 0.00 0.00 134 A 7.90 4.35 1.08 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 0.00 135 A 7.73 4.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.44 3.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.92 0.00 0.00 137 G 7.83 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 0.00 138 N 7.91 4.67 0.00 2.43 2.47 0.00 0.00 7.22 8.15 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 0.00 139 E 7.76 3.88 0.00 2.04 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 2.41 2.44 0.00 140 K 8.00 3.96 0.00 1.98 2.10 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.66 7.81 141 S 7.95 4.20 0.00 2.85 3.40 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 0.00 142 R 7.97 3.77 0.00 2.09 2.05 0.00 3.68 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 143 A 8.19 4.00 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 0.00 144 V 8.11 3.36 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 0.75 0.00 0.00 0.73 0.00 0.00 145 P 0.00 3.46 0.00 0.82 1.09 0.00 3.48 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.64 0.00 146 E 7.34 4.01 0.00 1.96 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 2.48 2.03 0.00 147 R 7.43 3.96 0.00 1.88 2.07 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 148 I 7.48 4.18 2.06 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 1.56 0.68 1.23 0.00 0.00 149 G 7.65 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 0.00 0.00 0.00 150 F 8.34 4.54 0.00 2.85 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 0.00 151 L 8.67 5.05 0.00 1.69 1.61 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 152 E 9.07 4.10 0.00 1.82 1.80 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 2.12 1.96 0.00 153 E 9.17 4.54 0.00 2.08 1.99 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 2.28 2.32 0.00 154 G 6.92 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 0.00 0.00 0.00 155 K 8.61 5.35 0.00 1.61 1.70 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.40 7.81 156 A 9.96 4.68 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 0.00 157 R 8.68 4.30 0.00 1.73 1.93 0.00 3.37 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 158 D 9.75 4.62 0.00 2.80 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 0.00 159 G 8.41 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 0.00 0.00 0.00 160 L 8.04 4.84 0.00 1.71 1.54 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.30 4.68 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.78 4.08 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 0.92 0.00 0.00 0.96 0.00 0.00 163 N 9.18 3.92 0.00 2.86 3.17 0.00 0.00 7.11 7.65 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 0.00 164 G 8.05 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 *166 H 7.68 4.52 0.00 3.09 2.93 0.00 5.51 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 0.00 167 H 8.65 4.93 0.00 3.03 3.12 0.00 5.61 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 0.00 168 D 8.70 5.20 0.00 2.61 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 0.00 169 L 8.93 5.06 0.00 1.80 1.57 0.97 0.66 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 0.00 170 V 8.42 4.38 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 0.73 0.00 0.00 0.71 0.00 0.00 171 Y 8.91 4.50 0.00 3.03 3.03 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 0.00 172 Y 9.02 5.59 0.00 3.08 2.96 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 0.00 173 S 9.51 5.37 0.00 3.91 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 0.00 174 L 8.63 4.71 0.00 0.27 0.61 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.44 4.88 0.00 1.66 1.49 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 176 K 8.77 2.00 0.00 0.79 1.53 0.00 1.90 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.23 0.90 7.81 177 R 7.72 4.26 0.00 1.92 1.96 0.00 3.03 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 178 E 8.44 4.72 0.00 1.90 1.99 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 2.24 2.31 0.00 179 W 7.81 4.67 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.