NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9463 8.3393 109.7380 45.5578 0.0000 171.8921 4 R 4.1994 7.5208 112.0547 55.9270 32.9581 171.9487 5 L 4.4833 8.5562 119.7082 55.4245 43.4855 176.5629 6 R 4.5854 7.9257 114.7644 54.8630 32.6132 174.1380 7 E 3.9810 8.8023 118.8662 57.5563 30.8716 176.3303 8 M 4.6455 8.0122 121.9885 53.5901 35.3485 174.7283 9 R 4.2079 8.7576 125.9498 54.6182 31.8574 174.5414 10 C 4.7884 8.3213 126.6811 57.8197 33.5913 172.7658 11 E 4.6076 8.9167 125.2702 54.6748 32.3339 176.5380 12 L 5.5313 7.9995 116.7545 53.6147 43.4189 177.2977 13 S 4.4102 7.4497 112.2723 58.3359 62.5386 174.4635 14 F 4.5118 8.1288 118.6273 61.7489 39.5780 174.8108 15 L 4.2551 7.4489 116.6725 53.0907 43.2837 176.7632 *20 G 4.0140 8.5147 106.4200 45.8670 0.0000 171.6763 21 S 4.8959 8.2807 118.0517 57.7405 67.5267 173.6903 22 A 5.4569 8.5581 123.7966 50.3129 23.1660 175.1049 23 C 4.2394 8.4867 119.7956 58.0199 32.9817 173.3715 24 F 4.1707 8.5833 128.9888 57.9601 41.3068 173.9749 25 S 5.0613 6.3486 110.4600 58.4925 65.2793 174.3826 26 Q 3.9658 8.6914 127.3393 56.5229 28.2610 178.7795 27 G 3.8225 9.3884 112.7519 46.3897 0.0000 172.2154 28 A 4.1778 8.3613 124.3986 53.7698 20.4072 178.6285 29 T 5.2399 8.1992 112.3357 62.6093 70.7763 173.8251 30 C 5.0869 8.0576 120.4904 58.7146 35.2006 172.4199 31 I 4.8596 8.7520 118.1134 59.2502 41.7375 174.2247 32 W 4.7699 10.4944 120.9629 55.4766 32.3728 174.8345 33 A 4.9838 8.9596 128.8065 50.5417 21.1772 174.1144 34 S 4.5159 7.5600 110.2462 59.5867 65.9081 172.6542 35 C 5.5243 8.3516 119.5873 59.8720 34.2145 172.8969 36 S 4.3958 8.6367 113.8500 56.9017 65.1218 173.8685 37 G 3.7719 8.9856 110.9762 47.3591 0.0000 173.5602 38 P 4.2912 0.0000 0.0000 64.0469 32.2126 176.8670 39 G 4.6299 8.3712 104.5243 46.4592 0.0000 173.4021 40 D 4.6915 7.3942 119.1283 52.3893 41.3075 174.9970 *54 D 4.5165 8.1532 122.7505 54.0937 42.1491 177.0674 55 I 4.0103 8.7984 123.1254 61.8576 39.6248 176.7200 56 S 3.1639 7.4283 114.1024 60.0545 60.5353 169.7375 57 Y 4.9862 7.5999 124.4315 57.8515 41.8775 174.7195 58 R 3.8249 8.6862 117.1055 56.4880 27.3653 174.4809 59 A 4.4406 7.0910 116.2990 51.9273 22.9010 176.7554 60 N 4.7526 8.6391 113.7834 53.6398 40.7865 174.3235 61 C 5.4287 8.0909 122.4231 55.9004 35.3714 173.7858 62 G 4.0878 8.0512 107.0807 44.2145 0.0000 173.3972 *65 K 4.1646 7.6719 117.2114 55.6520 34.4718 174.8716 66 F 4.7347 8.0118 119.5647 57.1382 41.5524 175.9164 67 N 3.2649 6.1124 119.2163 53.7428 38.2199 174.4622 68 V 4.4204 7.4540 111.7587 62.0818 32.0661 175.5608 69 L 3.5222 7.9357 119.5164 56.2650 40.1725 173.3162 70 N 4.0948 8.1805 120.3694 56.5081 39.3110 174.9289 71 N 4.3509 8.3785 117.7526 56.1978 37.0295 176.2604 72 I 3.6233 7.8167 120.5826 63.3214 37.2563 177.5478 73 I 3.7685 8.2436 114.4805 64.1148 37.2192 177.7748 74 H 4.1805 8.0088 116.7634 58.2246 28.2959 177.3242 75 S 3.7464 6.8898 112.2632 60.0619 62.6742 174.3570 76 T 4.1734 6.8880 117.0709 62.7713 69.5808 175.1281 *79 N 4.4921 8.3748 122.3896 52.0772 39.2085 172.6593 80 A 4.4665 7.7912 120.9157 51.2974 23.1030 176.0018 81 I 4.2962 8.1479 113.1797 59.9992 38.8516 175.0754 82 N 4.1892 8.8391 124.2630 54.8005 37.5338 174.3699 83 L 4.5010 7.7182 113.8243 52.8279 41.4218 176.7728 *89 T 4.1864 7.7133 106.3771 60.0918 71.0145 174.7818 90 T 3.4176 7.6197 110.7051 63.1322 67.5735 171.5307 91 I 4.5137 7.6015 120.6214 60.7096 39.2240 176.1733 92 S 4.5230 9.2083 120.9122 58.0467 63.7515 174.4043 93 V 4.7220 7.8487 120.2972 61.1752 31.1101 175.2740 94 T 3.9809 7.8122 110.8598 63.0925 69.7447 174.6967 95 V 4.6906 8.2735 126.2120 61.4884 33.7386 173.8038 96 H 4.9622 8.9505 125.3119 55.4919 34.4048 172.8877 97 G 4.3686 8.3970 109.5380 46.0537 0.0000 174.1705 98 I 4.0302 8.6656 121.6643 62.9387 38.8224 176.6319 99 Q 4.4301 7.8787 123.9154 55.5107 28.4822 176.4275 100 D 5.2160 7.5524 119.1930 54.2670 39.5394 177.7760 101 D 4.5509 7.8337 123.0856 54.0958 39.8496 176.9579 102 G 3.8032 8.2733 111.4028 47.2141 0.0000 171.3655 103 S 3.6353 8.1929 112.0806 58.6940 62.9574 174.2779 104 M 4.2853 7.8159 120.1666 59.5455 30.4626 177.7842 105 G 3.5769 8.0823 105.8322 47.4958 0.0000 175.1986 106 A 4.5198 7.9203 124.8406 54.2542 18.4879 179.7776 107 V 3.5271 7.7105 115.9492 66.0170 31.4504 177.9525 108 A 4.1746 8.1173 119.1255 54.1612 18.3372 178.2381 109 I 4.2996 7.2135 115.1178 62.1446 39.1569 177.0957 110 N 5.1234 7.9354 119.4047 55.8757 38.3041 177.6068 111 G 3.8226 7.8805 106.4191 47.3965 0.0000 175.2291 112 A 4.2111 7.4963 121.2466 54.3826 18.4145 178.2654 113 C 3.8651 7.7142 115.9827 61.0069 32.1108 174.8845 114 F 4.3546 8.5427 119.1204 59.0906 38.5542 177.5673 115 A 4.1065 8.2936 121.0758 55.0979 18.1858 178.1585 116 L 4.4618 7.8111 113.0552 55.9816 41.3975 178.0928 117 L 3.9160 7.9658 122.3156 57.9384 41.7878 178.1459 118 D 4.3145 8.1285 117.9869 57.4807 41.0745 177.5533 119 N 4.3848 8.1237 115.6195 54.5830 39.0487 174.6356 120 G 3.8931 8.2455 107.5164 44.8478 0.0000 173.3174 121 M 4.0055 8.0479 119.5852 54.5300 31.6467 174.9415 122 P 4.2619 0.0000 0.0000 62.0501 32.0983 175.9723 123 F 3.6812 8.4784 122.0114 59.6229 39.3404 173.0192 124 E 4.7971 7.5792 135.0000 56.9219 33.8570 178.0526 125 T 4.5605 7.5732 113.6342 63.1233 69.6444 176.1146 126 V 3.3157 7.2135 116.3279 62.7598 32.0450 174.0856 127 F 4.8408 6.8893 114.2005 58.0909 41.6013 173.2781 128 C 4.7198 8.0396 119.4896 59.3896 26.4795 176.7686 129 G 4.5700 8.9472 114.2420 45.1059 0.0000 171.8475 130 V 4.4712 8.1325 113.6524 60.1075 33.1435 176.1422 131 L 4.9790 8.2672 126.4555 53.8844 39.2571 175.2086 132 I 4.8032 7.8763 126.4150 61.6832 38.4017 174.6917 133 V 5.1069 8.2713 119.7124 59.5644 35.9882 174.5159 134 R 4.3499 8.5845 123.6557 55.5676 31.4739 175.1236 135 V 4.1534 8.0072 125.3846 61.9079 33.9106 176.7740 136 K 3.5528 8.9441 128.8030 57.7260 31.6383 177.7204 137 D 4.8494 8.9897 120.9056 54.2302 43.5913 177.7060 138 E 3.5964 8.5981 119.8275 57.0398 27.9618 173.5865 139 L 4.7353 8.1485 122.5717 54.5772 45.7250 175.8034 140 I 4.5546 7.9258 123.0586 59.2781 40.2686 175.1550 141 I 4.0139 8.0212 122.8859 61.8089 38.3598 175.0007 142 D 5.0208 7.5344 131.4355 50.4511 41.4027 177.2060 143 P 4.9483 0.0000 0.0000 60.9617 31.0723 177.2442 144 T 4.4667 8.0625 112.9005 61.8713 71.9433 173.1114 145 A 4.0338 8.0223 122.8886 55.7358 18.4935 179.9500 146 K 4.1211 7.8971 116.4187 59.4005 32.5465 179.4442 147 Q 3.9326 7.9308 117.7379 59.1007 28.6436 178.3098 148 E 4.0506 7.9818 117.9908 59.1716 29.7912 178.2375 149 A 4.1581 7.5851 120.4219 54.9377 18.2175 178.8205 150 A 4.0822 7.7053 116.7066 52.3077 18.1991 177.9935 151 S 4.2928 7.7913 113.7896 60.2685 64.1056 174.7229 152 T 4.1988 7.8406 107.9825 60.4452 68.4629 174.2062 *154 R 4.3599 7.0459 124.9714 57.1684 30.6204 175.1473 155 V 3.9714 8.2481 112.8224 59.4550 34.2432 178.0454 156 L 4.7611 7.2854 119.9549 52.5389 40.8657 176.2936 157 F 4.2435 8.0463 117.9010 58.4503 40.7763 175.7571 158 S 5.0863 8.6794 118.4452 56.4778 65.2170 173.0662 159 V 4.8484 8.0600 123.3388 61.1111 34.3208 171.2515 160 C 4.7300 8.1928 122.5581 57.5045 33.3900 173.4097 161 K 4.4388 7.9721 125.5029 59.3616 33.0316 177.8141 162 G 3.9756 7.1367 107.3654 44.0463 0.0000 174.6064 163 S 4.1779 8.7638 116.8891 60.6997 61.8843 173.4665 164 D 5.2163 7.4049 121.0056 52.6411 43.2417 176.6467 165 G 3.8209 8.7553 107.8678 49.7885 0.0000 173.9981 166 H 4.3993 7.3972 113.4783 55.5422 29.3754 174.5292 167 P 4.1539 0.0000 0.0000 63.3882 31.5194 174.8655 168 E 3.7323 8.4053 120.1183 55.6950 26.9896 172.2847 169 V 3.9747 8.4088 115.6047 62.0126 32.0908 176.1314 170 C 4.5315 8.5367 120.9702 60.1673 29.9185 173.1752 171 A 4.4884 8.0170 120.9616 52.1114 22.0320 174.6525 172 M 4.8075 7.9831 115.1108 54.7491 33.8745 173.8802 173 D 4.6782 7.9267 116.8276 52.8506 41.6002 175.7354 174 A 3.7031 7.6456 121.4393 52.4157 19.2156 177.5130 175 I 4.7641 8.2075 113.2634 60.4113 41.7472 174.0904 176 G 4.0880 8.9970 106.9977 44.6063 0.0000 177.0417 177 H 4.8295 8.5417 125.2384 54.2191 29.5734 171.4651 178 W 4.7501 8.1479 120.9971 54.5310 32.4100 179.6465 179 D 4.4951 8.1156 118.9497 54.2864 39.8723 173.6220 180 F 4.2002 8.5555 112.8956 61.0747 39.1441 177.3050 181 I 4.1044 8.0460 112.4529 63.4560 37.5797 177.2907 182 Q 4.8302 7.2638 120.0724 53.6601 28.4098 174.3608 183 L 4.7506 7.5961 122.0568 56.1450 49.0620 176.0742 184 E 3.8442 9.2585 118.1284 58.6668 29.4473 177.9620 185 A 4.6284 7.7549 115.9600 51.1216 19.4898 177.2831 186 A 4.7351 7.8285 121.3025 54.5206 20.3207 179.3800 187 W 3.6439 8.6321 126.5284 61.0225 30.5585 177.3889 188 S 3.8242 7.7233 111.2293 61.2407 61.6142 176.3025 189 L 3.9450 7.7219 121.2879 56.7633 41.6529 179.1053 190 A 3.9965 7.5952 117.6689 53.8656 18.3720 178.3415 191 Q 3.9255 8.2219 119.0896 57.6445 29.5494 175.8161 192 P 4.1348 0.0000 0.0000 65.5590 31.7713 178.4758 193 S 4.2088 7.7210 109.4919 59.7615 62.1300 175.3694 194 A 3.9118 7.3357 122.6377 55.1681 19.1642 179.2434 195 S 4.3572 7.9567 112.0937 61.5707 63.1796 176.9185 196 A 4.1446 7.8871 123.6301 55.2657 18.2382 179.4172 197 I 3.8234 7.2434 115.6855 64.2099 38.0709 177.7041 198 F 4.3016 7.8989 118.8451 61.1391 38.7677 177.3142 199 D 4.5904 8.3124 117.6121 57.6718 40.6787 178.7489 200 F 4.9193 8.5026 122.3013 60.9797 39.2341 176.7826 201 Y 4.1197 8.6705 116.3422 61.1754 37.6402 178.7466 202 K 4.0480 8.3549 119.0744 59.7044 32.1756 179.2606 203 T 3.8923 8.3755 110.3362 64.1983 68.2266 176.7043 204 V 3.5774 7.5133 121.1245 65.1732 31.6118 177.6822 205 M 4.0402 8.2333 118.2300 58.7247 31.9879 178.3407 206 K 3.8966 8.0614 117.2707 59.8332 32.2211 178.7153 207 R 3.9272 7.5729 117.2701 59.1132 30.0502 178.3331 208 K 4.2926 7.7166 116.3275 57.3542 32.5806 178.3707 209 L 4.2592 8.0220 118.9003 56.0972 41.5163 177.5057 210 S 4.5961 7.5936 112.8686 60.3770 64.8059 176.4223 211 V 3.7564 7.4093 113.1891 63.6980 31.2963 175.9070 212 D 4.1486 7.8553 122.6839 54.9156 42.0269 175.1390 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 3 G 8.34 3.95 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 0.00 0.00 0.00 4 R 7.52 4.20 0.00 1.86 1.92 0.00 3.03 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.72 0.00 5 L 8.56 4.48 0.00 1.54 1.66 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.93 4.59 0.00 1.70 1.87 0.00 3.25 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 7 E 8.80 3.98 0.00 1.99 1.79 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 2.23 2.26 0.00 8 M 8.01 4.65 0.00 0.73 1.04 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.17 0.00 9 R 8.76 4.21 0.00 1.65 1.55 0.00 2.93 0.00 0.00 2.93 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 10 C 8.32 4.79 0.00 2.34 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 11 E 8.92 4.61 0.00 1.16 1.29 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 2.13 2.21 0.00 12 L 8.00 5.53 0.00 1.55 1.67 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.45 4.41 0.00 3.67 3.56 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 14 F 8.13 4.51 0.00 3.25 3.28 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 15 L 7.45 4.26 0.00 1.68 1.48 0.97 1.03 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 *20 G 8.51 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 0.00 0.00 0.00 0.00 21 S 8.28 4.90 0.00 4.03 3.95 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 22 A 8.56 5.46 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.49 4.24 0.00 1.93 1.18 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 24 F 8.58 4.17 0.00 3.14 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 25 S 6.35 5.06 0.00 3.62 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 26 Q 8.69 3.97 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.66 0.00 0.00 0.00 0.00 0.00 2.83 2.84 0.00 27 G 9.39 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.36 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.20 5.24 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 1.39 0.00 0.00 30 C 8.06 5.09 0.00 2.85 2.70 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 31 I 8.75 4.86 2.05 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 1.31 0.84 0.96 0.00 0.00 32 W 10.49 4.77 0.00 3.19 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 33 A 8.96 4.98 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 34 S 7.56 4.52 0.00 3.93 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 35 C 8.35 5.52 0.00 3.02 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 36 S 8.64 4.40 0.00 3.85 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 37 G 8.99 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.29 0.00 2.06 2.09 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 39 G 8.37 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 0.00 0.00 0.00 0.00 40 D 7.39 4.69 0.00 2.63 2.59 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 *54 D 8.15 4.52 0.00 2.77 2.45 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 55 I 8.80 4.01 1.87 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 1.41 0.74 0.92 0.00 0.00 56 S 7.43 3.16 0.00 3.85 3.35 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 57 Y 7.60 4.99 0.00 2.94 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 58 R 8.69 3.82 0.00 2.03 2.06 0.00 3.41 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 59 A 7.09 4.44 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 60 N 8.64 4.75 0.00 2.93 2.78 0.00 0.00 6.32 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 61 C 8.09 5.43 0.00 3.24 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 62 G 8.05 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 0.00 0.00 0.00 *65 K 7.67 4.16 0.00 1.76 1.93 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.56 7.81 66 F 8.01 4.73 0.00 2.96 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 67 N 6.11 3.26 0.00 2.63 1.95 0.00 0.00 5.80 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 68 V 7.45 4.42 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.99 0.00 0.00 69 L 7.94 3.52 0.00 1.76 1.85 1.11 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.18 4.09 0.00 2.88 2.83 0.00 0.00 6.76 6.71 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 71 N 8.38 4.35 0.00 3.00 3.12 0.00 0.00 5.84 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 72 I 7.82 3.62 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.13 0.92 0.00 0.00 73 I 8.24 3.77 1.81 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 1.52 0.88 0.99 0.00 0.00 74 H 8.01 4.18 0.00 3.06 3.39 0.00 5.57 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 6.89 3.75 0.00 3.89 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 76 T 6.89 4.17 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 1.19 0.00 0.00 *79 N 8.37 4.49 0.00 2.73 2.84 0.00 0.00 6.80 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 80 A 7.79 4.47 1.24 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 81 I 8.15 4.30 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.91 0.00 0.00 82 N 8.84 4.19 0.00 2.85 2.89 0.00 0.00 7.05 7.78 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 83 L 7.72 4.50 0.00 1.61 1.57 0.92 0.91 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 *89 T 7.71 4.19 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 90 T 7.62 3.42 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 91 I 7.60 4.51 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.79 0.93 0.00 0.00 92 S 9.21 4.52 0.00 3.81 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 93 V 7.85 4.72 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 0.72 0.00 0.00 1.00 0.00 0.00 94 T 7.81 3.98 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 1.21 0.00 0.00 95 V 8.27 4.69 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 0.89 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 0.00 113 C 7.71 3.87 0.00 2.58 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 0.00 114 F 8.54 4.35 0.00 3.33 3.13 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 0.00 0.00 0.00 0.00 115 A 8.29 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.81 4.46 0.00 1.85 1.95 0.95 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.97 3.92 0.00 1.89 1.92 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.13 4.31 0.00 2.82 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 0.00 119 N 8.12 4.38 0.00 2.76 3.06 0.00 0.00 7.09 7.98 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 0.00 120 G 8.25 3.89 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 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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 0.00 146 K 7.90 4.12 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.53 7.81 147 Q 7.93 3.93 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 148 E 7.98 4.05 0.00 2.06 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 0.00 2.36 2.51 0.00 149 A 7.59 4.16 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 0.00 150 A 7.71 4.08 1.26 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 0.00 0.00 151 S 7.79 4.29 0.00 4.02 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 0.00 152 T 7.84 4.20 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 1.20 0.00 0.00 *154 R 7.05 4.36 0.00 2.13 2.20 0.00 3.28 0.00 0.00 3.40 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 155 V 8.25 3.97 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 -0.86 0.00 0.00 0.78 0.00 0.00 156 L 7.29 4.76 0.00 1.40 1.53 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 157 F 8.05 4.24 0.00 3.25 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 0.00 158 S 8.68 5.09 0.00 3.89 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.06 4.85 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.11 0.00 0.00 160 C 8.19 4.73 0.00 3.25 2.84 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 0.00 161 K 7.97 4.44 0.00 1.66 1.36 0.00 0.61 0.00 0.00 0.70 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.65 0.21 7.81 162 G 7.14 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 0.00 163 S 8.76 4.18 0.00 3.83 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 0.00 164 D 7.40 5.22 0.00 2.31 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 H 7.40 4.40 0.00 3.25 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.15 0.00 2.19 2.48 0.00 3.92 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 168 E 8.41 3.73 0.00 2.18 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 0.00 2.34 2.29 0.00 169 V 8.41 3.97 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.98 0.00 0.00 170 C 8.54 4.53 0.00 2.96 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 0.00 171 A 8.02 4.49 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 0.00 172 M 7.98 4.81 0.00 2.02 1.63 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 173 D 7.93 4.68 0.00 2.52 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 0.00 174 A 7.65 3.70 0.66 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 0.00 0.00 175 I 8.21 4.76 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.97 0.00 0.00 176 G 9.00 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 0.00 0.00 0.00 177 H 8.54 4.83 0.00 3.04 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 W 8.15 4.75 0.00 3.17 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 0.00 179 D 8.12 4.50 0.00 3.04 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 F 8.56 4.20 0.00 3.10 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 0.00 181 I 8.05 4.10 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.35 1.02 0.00 0.00 182 Q 7.26 4.83 0.00 2.58 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 183 L 7.60 4.75 0.00 2.04 1.71 0.58 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 184 E 9.26 3.84 0.00 1.83 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 0.00 2.58 2.25 0.00 185 A 7.75 4.63 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 A 7.83 4.74 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 W 8.63 3.64 0.00 3.11 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 0.00 188 S 7.72 3.82 0.00 4.07 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 0.00 189 L 7.72 3.94 0.00 1.69 1.76 0.90 0.82 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 0.00 190 A 7.60 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Q 8.22 3.93 0.00 1.70 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.76 0.00 0.00 0.00 0.00 0.00 1.92 2.19 0.00 192 P 0.00 4.13 0.00 2.13 2.01 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 193 S 7.72 4.21 0.00 3.88 3.79 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 0.00 194 A 7.34 3.91 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 0.00 195 S 7.96 4.36 0.00 3.84 4.07 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 0.00 0.00 196 A 7.89 4.14 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 0.00 197 I 7.24 3.82 1.96 0.00 0.00 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 1.94 1.84 0.85 0.00 0.00 198 F 7.90 4.30 0.00 3.39 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 0.00 199 D 8.31 4.59 0.00 3.12 2.88 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 0.00 200 F 8.50 4.92 0.00 3.26 3.53 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 0.00 0.00 0.00 0.00 201 Y 8.67 4.12 0.00 3.35 2.90 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 0.00 0.00 0.00 202 K 8.35 4.05 0.00 2.16 1.93 0.00 1.63 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.69 7.81 203 T 8.38 3.89 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 1.37 0.00 0.00 204 V 7.51 3.58 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.08 0.00 0.00 205 M 8.23 4.04 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 206 K 8.06 3.90 0.00 1.81 1.87 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.61 7.81 207 R 7.57 3.93 0.00 2.03 1.88 0.00 3.24 0.00 0.00 3.14 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 208 K 7.72 4.29 0.00 1.78 1.82 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 209 L 8.02 4.26 0.00 1.73 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 210 S 7.59 4.60 0.00 3.92 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 0.00 211 V 7.41 3.76 2.06 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 0.76 0.00 0.00 0.91 0.00 0.00 212 D 7.86 4.15 0.00 2.57 2.45 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 * Residues marked with a * may have inaccurate shift predictions.