NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4493 8.3349 115.4144 57.7457 63.2026 172.2108 1 M 3.8663 8.3059 127.3132 54.8950 32.7154 174.8164 2 Q 4.0352 9.2082 125.9391 57.1517 30.9350 174.8534 3 A 5.2513 8.6273 127.4641 50.5006 21.4830 175.9873 4 I 4.6419 8.9115 121.6974 59.4330 41.2714 174.3705 5 K 4.7138 9.7518 129.6702 55.4072 33.4661 174.5612 6 C 5.1071 9.2168 128.9379 57.5268 34.1469 172.3767 7 V 4.8082 8.0870 126.0962 61.1043 33.6418 174.1035 8 V 4.8513 8.6021 127.9865 61.4758 32.9639 175.1891 9 V 4.4126 9.4479 120.4294 57.6271 35.7768 175.1034 10 G 3.6220 6.6746 110.5201 43.7783 0.0000 171.9219 11 D 4.8517 8.2287 119.9042 53.9331 41.4346 176.8022 12 G 3.7003 8.6887 109.7109 47.5207 0.0000 173.5161 13 A 3.8345 8.8529 124.0625 52.6454 16.0088 179.1794 14 V 3.8090 7.4403 111.1566 63.1977 31.9864 177.2851 15 G 4.2756 8.3855 109.3937 45.6610 0.0000 176.0267 16 K 3.9451 8.4953 120.8439 59.5829 32.0794 179.1569 17 T 3.9675 7.8510 115.3802 66.8678 68.4186 176.4421 18 C 3.9549 8.0171 118.1740 62.5242 28.1376 175.6452 19 L 4.0351 8.1799 122.0530 58.3626 41.6306 179.1871 20 L 3.9094 7.8293 118.7295 57.8181 41.4598 179.6620 21 I 3.4121 7.5862 119.7856 64.1455 37.0146 178.4389 22 S 4.6276 8.3531 115.8264 60.9395 62.0087 175.5689 23 Y 4.0610 7.7820 121.4177 61.1022 38.7149 177.9063 24 T 3.6720 7.8680 109.6386 63.8212 69.1005 175.6410 25 T 4.2677 7.7757 110.0306 60.3341 69.7545 174.3968 26 N 4.2500 7.9843 118.4692 54.0250 38.3869 173.0684 27 A 4.6807 7.6984 118.0686 49.7792 22.1198 175.9771 28 F 4.7186 8.8114 125.0637 56.5964 40.3409 173.6270 29 P 4.2990 0.0000 0.0000 62.6815 33.3603 174.3190 30 G 3.7635 8.7992 111.7134 46.4423 0.0000 176.0835 31 E 4.3539 9.0102 121.7749 54.5118 29.0494 178.7227 *32 Y 4.3407 6.7747 110.6508 57.1091 39.2380 174.2511 33 I 4.3507 8.0226 126.6011 57.7577 38.9436 174.3666 34 P 4.1620 0.0000 0.0000 63.5346 31.6476 176.4983 35 T 4.0041 8.3145 112.5382 63.6928 69.6108 176.0074 36 V 3.1751 7.3287 113.6149 61.6987 31.9299 176.0222 37 F 4.7808 8.0300 123.8378 56.9495 38.7585 175.7913 38 D 4.6013 8.2708 125.0827 52.5309 42.5491 173.0741 39 N 5.0328 7.8821 113.4023 52.9729 40.5076 174.2358 40 Y 4.5738 9.1237 121.5323 56.3312 40.8748 174.8349 41 S 5.1878 8.7231 118.6805 56.8573 65.0596 173.3193 42 A 4.8421 9.1974 126.6026 50.0858 22.5030 174.1098 43 N 5.4699 8.6456 116.7403 51.6093 40.9828 174.7094 44 V 4.4891 8.5959 122.0801 61.3202 35.4973 173.6268 45 M 4.8970 8.7598 127.6051 54.5382 33.2501 175.5058 46 V 4.2764 9.0111 125.8591 61.0079 34.0161 175.6102 47 D 4.2680 9.9131 126.7096 55.3263 38.1973 174.3580 48 G 3.9749 8.1990 101.7767 45.8031 0.0000 172.8029 49 K 4.8094 8.0637 118.8370 53.4704 36.1370 173.9559 50 P 4.9352 0.0000 0.0000 62.6837 32.5099 175.6349 51 V 4.5431 8.9086 122.5488 61.1328 35.3303 173.8703 52 N 5.1391 9.4130 126.2097 52.2453 40.1892 173.3775 53 L 4.9694 9.1819 130.9175 53.6396 43.7210 175.2652 54 G 4.4443 9.1530 115.3813 45.1774 0.0000 171.7224 55 L 5.4759 9.5307 126.2674 52.9297 44.5393 175.4493 56 W 5.0889 9.4417 125.0487 54.9957 31.0135 175.2068 57 D 5.2624 9.1395 125.9401 54.1711 41.4588 175.3798 58 T 4.7266 8.3135 112.0466 59.7212 72.9425 172.4575 59 A 3.7596 7.4550 125.4454 51.3206 19.1139 177.9006 60 G 4.2495 8.3889 109.9109 45.0736 0.0000 174.0856 61 Q 4.4800 7.9181 119.7554 54.9953 29.9477 176.6474 62 E 4.4081 8.8603 117.9270 58.9869 29.5291 179.0707 63 D 4.2867 8.1968 117.8804 56.6951 41.1449 176.5033 64 Y 4.5780 7.9518 115.7655 57.8724 37.9944 177.2721 65 D 4.6521 8.2674 123.3400 57.1026 40.4727 178.4219 66 R 4.2752 7.8330 116.7768 57.7674 31.1318 178.1066 67 L 4.2438 7.7590 118.4089 57.2245 42.0110 178.8763 68 R 3.8539 8.5610 119.0322 59.0398 30.0469 176.7901 69 P 2.9700 0.0000 0.0000 64.1670 30.9814 178.1356 70 L 4.0277 7.4107 116.8657 56.9739 41.5547 178.4771 71 S 4.5665 7.7084 113.5054 59.7612 63.5207 175.3658 72 Y 4.5080 8.0086 120.7060 59.2846 37.8380 174.2047 73 P 4.3535 0.0000 0.0000 64.4614 31.8231 176.0715 74 Q 3.6720 8.8427 118.9820 56.5801 26.1827 173.7865 75 T 3.7452 7.4572 115.2201 63.7461 68.7894 174.2084 76 D 4.7591 8.5396 125.9216 56.0518 42.2557 177.4064 77 V 4.5954 7.1785 115.8657 60.6083 34.6427 172.7201 78 F 5.1892 9.3004 122.8052 55.8790 41.8051 174.6312 79 L 5.0589 8.8860 123.0586 53.3000 43.7219 175.5847 80 I 4.6484 8.6592 126.2514 60.3894 38.2855 174.7153 81 C 5.3710 9.1653 125.9975 58.0537 30.6882 173.1317 82 F 5.0423 8.6084 116.6201 55.0450 41.8320 173.5053 83 S 4.9317 8.7661 115.4627 57.1484 62.9678 175.2816 84 L 4.2021 8.9627 127.5238 57.1473 41.5887 178.8986 85 V 4.3454 7.5992 110.1693 60.8241 32.0301 176.0619 86 S 4.5879 7.9921 116.2531 54.7394 62.8456 172.2092 87 P 4.4226 0.0000 0.0000 65.4040 31.1985 177.7637 88 A 4.0920 8.1549 119.2690 55.2750 18.1240 179.6858 89 S 4.8898 7.9253 112.6391 60.9280 63.3721 176.3818 90 F 4.1237 8.2287 123.8886 61.2164 39.3153 176.4048 91 E 3.7012 8.3417 118.9470 59.5022 29.2631 178.5101 92 N 4.4195 8.2626 115.7459 55.4488 38.4159 177.4425 93 V 3.8256 7.6812 120.5140 66.1328 31.3815 177.9639 94 R 3.9183 7.6394 116.1741 59.3000 30.1832 177.7555 95 A 4.1076 7.9107 119.5516 53.8832 18.6177 177.1263 96 K 4.0421 8.1413 115.7286 57.5837 34.3155 178.3382 97 W 4.3330 7.8280 117.9442 59.8179 29.1532 177.6936 98 Y 4.2527 8.3613 119.6896 60.5487 38.1846 176.4491 99 P 3.8071 0.0000 0.0000 65.3303 30.8912 178.2630 100 E 3.8802 8.0581 117.9813 59.2242 29.6096 178.8097 101 V 3.1646 7.8917 118.4137 66.2238 31.2787 178.3248 102 R 4.1117 7.6820 115.9036 59.0539 29.8429 178.1069 103 H 4.1504 8.1090 117.9087 59.3298 29.8881 176.2585 104 H 4.7760 7.8013 115.2444 56.3350 30.1463 175.3430 105 C 4.8236 8.3296 118.4278 56.7068 28.7490 172.4848 106 P 3.9964 0.0000 0.0000 64.7930 31.3369 177.0479 107 H 4.9072 7.8171 111.6401 55.5347 30.3914 174.2554 108 T 4.2335 7.4024 117.6330 62.6337 68.7482 172.7779 109 P 4.4999 0.0000 0.0000 63.2161 32.9346 174.9689 110 I 5.0561 8.4181 121.9703 59.6819 40.3685 174.1476 111 L 5.0905 9.0219 127.2159 53.0381 44.1642 175.1261 112 L 5.0234 8.7206 125.8337 53.9233 44.0589 175.1799 113 V 4.6835 8.9983 126.4272 61.0154 34.4124 174.3136 114 G 3.5118 8.9453 117.0465 45.3565 0.0000 173.2553 115 T 4.8670 8.3994 117.0596 59.5168 72.2471 174.3491 116 K 4.2179 8.4247 117.0936 56.8323 29.8708 177.5542 117 L 3.9004 7.9450 122.3460 58.2250 42.2555 178.6417 118 D 4.4014 7.9729 116.6051 55.7153 39.6087 176.9704 119 L 4.2833 7.9306 119.0289 55.5315 42.2344 178.6670 120 R 3.8874 7.8646 119.0803 58.8004 30.0419 176.7805 121 D 4.8209 7.8695 114.4522 53.9197 41.4294 175.7350 122 D 4.4923 7.8823 120.8199 53.4269 42.0977 176.4956 123 K 3.8838 8.6768 128.0148 59.9993 32.3206 178.3645 124 D 4.3684 8.0945 118.4637 57.6417 40.7265 178.9304 125 T 3.8932 7.9839 115.9081 66.6184 68.4043 176.8438 126 I 3.7338 7.8980 121.7794 64.4350 37.1131 178.4255 127 E 3.9403 8.4043 119.4441 59.3180 27.8464 179.0666 128 R 3.8984 8.1461 118.9251 59.7517 29.9982 178.5472 129 L 4.2167 8.0356 118.4854 57.7132 41.5846 179.2696 130 R 3.9752 8.3861 119.0948 59.7026 29.7098 178.2512 131 D 4.4403 8.0824 117.7110 56.3541 40.7209 177.8430 132 K 4.5014 7.0542 115.2112 55.2885 32.8219 176.1748 133 K 3.8975 8.1340 116.5882 57.6463 29.9062 175.1699 134 L 4.8887 8.0716 116.5942 53.0617 45.3398 175.5872 135 A 4.7194 8.0206 120.7525 49.9055 22.0811 174.3320 136 P 4.5939 0.0000 0.0000 62.6613 32.2945 176.4774 137 I 4.0702 8.5031 124.5646 61.5901 37.5703 176.3290 138 T 4.3761 8.8603 117.5241 60.8684 70.7155 175.4139 139 Y 4.5363 8.7456 123.9819 60.1414 38.8184 176.5786 140 P 4.2228 0.0000 0.0000 65.5037 31.3813 178.7199 141 Q 4.0008 8.0206 116.7232 58.8981 28.5995 178.8434 142 G 3.1728 7.7968 108.1001 46.9050 0.0000 175.3782 143 L 3.4391 7.3659 122.8654 57.5678 42.0035 178.9826 144 A 3.8897 7.7318 120.7518 55.1706 18.2178 179.2690 145 M 3.7019 8.0714 116.5215 58.5786 32.1901 178.0765 146 A 3.9094 7.9600 121.2222 55.3591 18.5049 179.8609 147 R 3.7628 7.8439 116.2807 59.4256 29.9520 178.7913 148 E 3.8596 7.8238 117.9981 58.5156 29.5599 177.9158 149 I 3.1554 6.9834 109.7652 59.1856 38.0130 175.5282 150 G 3.8525 7.7774 107.8296 46.8791 0.0000 174.6960 151 S 4.4500 7.9821 115.3733 58.3122 63.3573 175.4653 152 V 3.9462 8.3307 116.9934 63.7047 32.1986 176.4784 153 K 4.5300 7.8270 119.6952 55.4220 35.5063 173.2519 154 Y 5.4163 8.6824 127.7898 56.0749 40.8483 174.1329 155 L 4.7043 8.7897 126.3326 52.7763 45.8882 175.3020 156 E 5.1247 8.1550 120.0878 55.0009 33.2951 174.6262 157 C 4.7811 8.6327 116.4171 57.5800 34.0181 172.4476 158 S 4.8566 8.7487 113.5668 56.3188 63.9475 174.6724 159 A 4.0947 8.9401 130.8203 55.1582 18.7322 178.3190 160 L 3.0077 7.8061 117.0620 57.8532 42.1561 177.9166 161 T 4.0646 7.7038 106.3598 61.7315 69.5971 175.7305 162 Q 3.9110 8.4239 120.3433 55.5375 27.3222 172.9592 163 R 4.0331 7.6747 119.9778 57.5905 30.0464 177.4615 164 G 3.9765 8.9799 112.9057 46.0684 0.0000 174.8407 165 L 3.8684 8.0394 122.1350 58.2263 42.1599 179.0236 166 K 4.3966 8.1651 117.9732 59.8468 31.9588 179.3112 167 T 3.8967 7.5787 115.9068 66.3165 68.2725 176.6692 168 V 3.3088 7.3952 120.2255 66.1516 31.4425 178.1164 169 F 4.1405 7.6847 116.4330 59.8693 38.7982 177.5853 170 D 4.4167 8.2685 118.8938 57.5699 40.6447 178.6978 171 E 3.9388 8.4907 119.0629 59.0506 29.1303 179.1066 172 A 3.9582 7.9386 120.9149 55.3333 18.3691 179.7125 173 I 3.6823 7.9291 118.1799 64.7897 37.2579 179.0460 174 R 3.9266 8.3322 118.5495 58.9275 29.6032 178.8924 175 A 4.3106 8.0900 119.9343 54.1907 18.3164 179.0498 176 V 3.9584 6.9513 115.7511 65.0216 32.3159 177.3271 177 L 4.3644 7.8460 117.1195 56.4066 42.2297 176.9634 178 G 4.0504 8.3370 111.6906 45.8046 0.0000 173.2943 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 S 8.33 4.45 0.00 4.01 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 1 M 8.31 3.87 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.79 0.00 2 Q 9.21 4.04 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 3 A 8.63 5.25 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.91 4.64 1.91 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 1.13 0.83 0.93 0.00 0.00 5 K 9.75 4.71 0.00 1.68 1.62 0.00 0.98 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 0.80 7.81 6 C 9.22 5.11 0.00 3.05 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 7 V 8.09 4.81 1.38 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 1.18 0.00 0.00 0.55 0.00 0.00 8 V 8.60 4.85 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 0.83 0.00 0.00 1.06 0.00 0.00 9 V 9.45 4.41 1.52 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 0.89 0.00 0.00 0.89 0.00 0.00 10 G 6.67 3.62 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 0.00 0.00 0.00 0.00 11 D 8.23 4.85 0.00 3.00 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 12 G 8.69 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 13 A 8.85 3.83 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 14 V 7.44 3.81 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 0.85 0.00 0.00 0.95 0.00 0.00 15 G 8.39 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.50 3.95 0.00 1.85 1.90 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.51 7.81 17 T 7.85 3.97 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 1.21 0.00 0.00 18 C 8.02 3.95 0.00 3.02 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 19 L 8.18 4.04 0.00 1.94 1.99 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.83 3.91 0.00 1.49 1.16 1.08 0.99 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 21 I 7.59 3.41 1.69 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 1.16 0.31 0.84 0.00 0.00 22 S 8.35 4.63 0.00 4.11 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 0.00 23 Y 7.78 4.06 0.00 3.03 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 24 T 7.87 3.67 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 1.19 0.00 0.00 25 T 7.78 4.27 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 1.16 0.00 0.00 26 N 7.98 4.25 0.00 2.81 2.89 0.00 0.00 6.84 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 27 A 7.70 4.68 1.21 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 0.00 0.00 0.00 28 F 8.81 4.72 0.00 2.94 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 29 P 0.00 4.30 0.00 1.67 1.92 0.00 2.53 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 30 G 8.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.01 4.35 0.00 2.08 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 2.19 2.27 0.00 *32 Y 6.77 4.34 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.02 4.35 1.82 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 1.23 0.96 0.85 0.00 0.00 34 P 0.00 4.16 0.00 2.05 1.99 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 35 T 8.31 4.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 36 V 7.33 3.18 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 0.59 0.00 0.00 0.79 0.00 0.00 37 F 8.03 4.78 0.00 2.92 3.16 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 38 D 8.27 4.60 0.00 2.36 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 5.03 0.00 2.01 2.04 0.00 0.00 6.77 7.46 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 40 Y 9.12 4.57 0.00 2.89 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 41 S 8.72 5.19 0.00 3.71 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 42 A 9.20 4.84 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 43 N 8.65 5.47 0.00 2.58 2.73 0.00 0.00 6.64 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.99 0.00 0.00 78 F 9.30 5.19 0.00 2.90 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 79 L 8.89 5.06 0.00 1.55 1.52 0.59 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.66 4.65 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 1.05 0.00 0.00 81 C 9.17 5.37 0.00 2.74 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 82 F 8.61 5.04 0.00 3.26 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.77 4.93 0.00 3.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.96 4.20 0.00 1.75 1.71 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.60 4.35 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 0.71 0.00 0.00 0.95 0.00 0.00 86 S 7.99 4.59 0.00 3.90 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 87 P 0.00 4.42 0.00 2.27 2.19 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 88 A 8.15 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 89 S 7.93 4.89 0.00 4.28 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 90 F 8.23 4.12 0.00 2.92 3.23 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 91 E 8.34 3.70 0.00 2.10 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 2.28 2.36 0.00 92 N 8.26 4.42 0.00 3.19 3.06 0.00 0.00 6.62 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 93 V 7.68 3.83 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 1.04 0.00 0.00 1.13 0.00 0.00 94 R 7.64 3.92 0.00 1.65 1.90 0.00 3.23 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 95 A 7.91 4.11 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 96 K 8.14 4.04 0.00 1.33 1.02 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.81 7.81 97 W 7.83 4.33 0.00 3.54 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 98 Y 8.36 4.25 0.00 2.95 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 3.81 0.00 2.03 1.88 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 100 E 8.06 3.88 0.00 2.05 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 0.00 2.67 2.48 0.00 101 V 7.89 3.16 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 0.04 0.00 0.00 0.39 0.00 0.00 102 R 7.68 4.11 0.00 1.58 1.79 0.00 3.39 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 103 H 8.11 4.15 0.00 3.17 3.45 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.80 4.78 0.00 3.46 3.53 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.33 4.82 0.00 2.98 2.93 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 0.00 106 P 0.00 4.00 0.00 1.60 1.95 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 107 H 7.82 4.91 0.00 3.11 3.32 0.00 5.90 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 0.00 108 T 7.40 4.23 4.51 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 1.43 0.00 0.00 109 P 0.00 4.50 0.00 2.15 2.22 0.00 3.80 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 2.21 2.17 0.00 110 I 8.42 5.06 1.92 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 1.40 1.10 0.97 0.00 0.00 111 L 9.02 5.09 0.00 1.57 1.53 0.92 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.72 5.02 0.00 1.91 1.83 1.24 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 113 V 9.00 4.68 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 0.72 0.00 0.00 0.79 0.00 0.00 114 G 8.95 3.51 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 0.00 115 T 8.40 4.87 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 1.10 0.00 0.00 116 K 8.42 4.22 0.00 1.95 1.88 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.44 1.39 7.81 117 L 7.94 3.90 0.00 1.75 1.62 0.90 0.97 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 0.00 118 D 7.97 4.40 0.00 2.76 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 0.00 119 L 7.93 4.28 0.00 1.84 1.73 0.92 0.57 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 0.00 120 R 7.86 3.89 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 121 D 7.87 4.82 0.00 2.67 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 0.00 122 D 7.88 4.49 0.00 2.80 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 0.00 123 K 8.68 3.88 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 124 D 8.09 4.37 0.00 2.87 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 0.00 125 T 7.98 3.89 4.50 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 1.22 0.00 0.00 126 I 7.90 3.73 2.01 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 1.53 0.83 0.92 0.00 0.00 127 E 8.40 3.94 0.00 2.25 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 2.33 2.18 0.00 128 R 8.15 3.90 0.00 1.88 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 1.71 0.00 129 L 8.04 4.22 0.00 1.90 1.75 0.98 0.68 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 0.00 130 R 8.39 3.98 0.00 1.99 2.12 0.00 3.11 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 1.64 1.69 0.00 131 D 8.08 4.44 0.00 2.92 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 0.00 132 K 7.05 4.50 0.00 2.07 1.82 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 133 K 8.13 3.90 0.00 2.18 1.91 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.26 7.81 134 L 8.07 4.89 0.00 1.79 1.57 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.02 4.72 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 0.00 136 P 0.00 4.59 0.00 1.95 2.01 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 137 I 8.50 4.07 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.13 0.19 0.00 0.00 138 T 8.86 4.38 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 139 Y 8.75 4.54 0.00 3.14 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 0.00 140 P 0.00 4.22 0.00 2.21 2.12 0.00 3.69 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 141 Q 8.02 4.00 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 142 G 7.80 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 0.00 0.00 0.00 143 L 7.37 3.44 0.00 1.19 1.51 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.73 3.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 M 8.07 3.70 0.00 2.19 1.69 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.98 0.00 146 A 7.96 3.91 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 0.00 147 R 7.84 3.76 0.00 1.92 1.93 0.00 3.28 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 148 E 7.82 3.86 0.00 1.91 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 2.17 2.19 0.00 149 I 6.98 3.16 0.77 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 1.42 0.54 0.49 0.00 0.00 150 G 7.78 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 0.00 151 S 7.98 4.45 0.00 3.97 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 0.00 152 V 8.33 3.95 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 0.63 0.00 0.00 1.02 0.00 0.00 153 K 7.83 4.53 0.00 1.85 1.59 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.50 7.81 154 Y 8.68 5.42 0.00 3.03 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 L 8.79 4.70 0.00 1.36 1.31 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.15 5.12 0.00 1.79 1.71 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 2.20 1.83 0.00 157 C 8.63 4.78 0.00 3.02 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 0.00 158 S 8.75 4.86 0.00 3.83 3.66 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 0.00 159 A 8.94 4.09 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.01 0.00 0.86 1.34 -0.35 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.70 4.06 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 1.12 0.00 0.00 162 Q 8.42 3.91 0.00 2.34 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 163 R 7.67 4.03 0.00 1.85 1.78 0.00 3.12 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 164 G 8.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.04 3.87 0.00 2.08 1.85 1.12 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.17 4.40 0.00 2.04 2.00 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.10 7.81 167 T 7.58 3.90 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 168 V 7.40 3.31 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 0.17 0.00 0.00 0.78 0.00 0.00 169 F 7.68 4.14 0.00 2.65 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 0.00 170 D 8.27 4.42 0.00 2.86 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 0.00 171 E 8.49 3.94 0.00 2.08 1.96 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 2.47 2.43 0.00 172 A 7.94 3.96 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 0.00 173 I 7.93 3.68 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 1.58 0.89 0.95 0.00 0.00 174 R 8.33 3.93 0.00 1.97 1.99 0.00 3.14 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 175 A 8.09 4.31 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 0.00 176 V 6.95 3.96 2.21 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 0.89 0.00 0.00 1.04 0.00 0.00 177 L 7.85 4.36 0.00 1.81 1.71 0.99 1.20 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 0.00 178 G 8.34 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 * Residues marked with a * may have inaccurate shift predictions.