NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4008 8.2893 120.3204 55.1950 33.4077 174.4962 2 D 4.5308 8.1330 119.6773 51.5177 40.9087 174.8467 3 K 4.0706 9.0787 120.7764 57.0134 33.7554 178.0250 4 K 4.2848 8.0278 122.3855 55.5783 34.5929 175.5578 5 T 5.0951 8.9978 118.6036 61.8609 71.6375 173.0366 6 I 4.9335 8.8315 126.4907 59.2030 41.0110 173.2482 7 Y 5.2372 8.5633 130.2979 56.0551 41.5615 174.2615 8 F 5.1565 9.1166 126.8621 56.1851 40.0029 174.9166 9 I 5.0104 8.0326 117.6915 59.1332 40.4559 175.1191 10 S 4.6908 7.7670 116.0585 58.2074 65.2192 174.5113 11 T 4.0273 8.7744 109.0291 64.4562 69.5432 174.1492 12 G 4.6112 7.7784 108.9049 43.8114 0.0000 170.5389 13 N 5.7357 8.3217 112.2721 51.4770 39.0109 173.2200 14 S 4.8515 8.3087 116.1186 58.6062 65.5986 174.8407 15 A 4.6484 7.4227 118.8873 53.8282 21.5618 178.3409 16 R 3.8148 7.9419 114.1800 59.0823 30.7712 178.9439 17 S 4.2113 7.9786 112.0552 61.1530 63.5602 175.0830 18 Q 4.0305 7.5779 119.2654 56.3351 28.5102 177.6352 *20 A 3.9843 8.0519 123.4377 52.0599 20.5768 179.6519 21 E 4.1321 8.1217 116.4068 59.2247 29.1800 179.2234 22 G 3.4907 8.0991 105.7867 47.8049 0.0000 175.8002 23 W 4.5008 8.0021 121.3632 58.9840 29.1273 178.9138 24 G 3.8064 8.3228 106.1534 47.7237 0.0000 176.0423 25 K 4.0963 8.3968 121.1251 59.1751 31.8365 179.1210 26 E 4.0383 7.8229 118.0813 59.0004 29.7008 178.3867 27 I 4.1499 7.8437 118.6232 63.7543 37.8786 177.4175 28 L 4.6201 8.8402 117.6211 55.1095 41.5786 180.8777 29 G 3.2785 7.6065 101.3903 45.0710 0.0000 176.0683 30 E 4.1117 9.1394 122.2278 58.3794 30.8341 178.2598 31 G 3.8989 8.2153 106.0766 45.5133 0.0000 172.8170 32 W 5.4352 7.9153 119.1181 54.8217 32.6966 174.7808 33 N 4.4902 9.5022 122.4634 52.6207 39.4158 174.2928 34 V 4.6232 8.1408 123.8697 61.5820 33.4381 173.9121 35 Y 5.3274 8.3863 125.6168 56.4973 41.5540 174.9697 36 S 5.4009 8.7767 113.4996 57.6052 66.3096 172.9019 37 A 4.8417 8.7269 122.6177 51.3979 23.3798 174.7346 38 G 4.5518 8.6599 105.0643 45.3938 0.0000 174.3111 39 I 3.9770 8.6326 123.1440 63.9820 37.7896 177.2720 40 E 4.8324 8.4711 119.2381 54.8144 33.1722 178.2611 41 T 4.5604 8.5097 111.4909 60.4352 68.9967 172.8443 42 H 4.6741 8.8297 123.1718 55.6145 29.2877 176.1024 43 G 3.9349 8.0573 106.4601 44.9696 0.0000 172.8095 44 V 3.9961 7.9065 118.4669 61.3731 32.1367 175.1750 45 N 4.3611 8.7405 126.6835 53.2949 39.6242 173.7327 46 P 4.2396 0.0000 0.0000 65.6881 31.4158 178.7477 47 K 3.7980 8.1861 116.7574 58.5674 31.6055 179.1838 48 A 3.9996 7.5869 120.0906 54.6277 18.4860 179.3717 49 I 3.6961 7.2073 117.3623 64.7227 37.2547 178.2754 50 E 4.2191 7.9703 118.6584 58.9474 28.2024 178.5079 51 A 3.4341 7.3430 119.7568 52.3161 18.6396 179.0246 *53 K 4.3384 8.0620 124.2514 57.9071 33.9826 177.5009 54 E 4.1176 7.9174 118.3630 58.3139 29.6504 177.5574 55 V 4.3441 6.9705 107.3364 60.7375 31.8969 175.0635 56 D 4.4370 7.9419 117.6855 55.7398 38.4747 173.7823 57 I 4.3064 7.5744 118.0375 59.3200 39.8800 174.6303 58 D 4.7044 8.5192 124.4374 52.6728 42.2060 175.6723 59 I 4.1231 7.9078 118.0690 60.1164 38.5690 177.0585 60 S 4.1544 7.8550 115.2538 60.7286 62.7659 174.6315 61 N 4.8051 7.8389 116.7080 53.2423 38.8766 174.6355 62 H 4.5765 8.0302 116.3825 55.8293 29.4270 174.7503 63 T 4.5147 8.1748 111.0960 60.1022 70.9150 174.5015 64 S 4.7172 8.3994 117.5895 57.1738 62.0585 172.7224 65 D 5.0474 8.9372 127.5837 52.6215 43.3095 176.0370 66 L 4.9857 8.2740 120.4761 53.5463 43.6413 176.6010 67 I 3.9057 7.9971 122.6217 61.6274 37.6276 175.2101 68 D 4.8530 8.8599 127.0857 52.3664 42.1114 176.5515 69 N 4.3717 8.9209 124.8012 56.7120 38.3404 176.9622 70 D 4.3685 8.0413 119.8155 57.4132 40.8517 178.5807 71 I 3.7111 7.5769 120.2381 63.7366 36.7916 178.4903 72 L 4.2212 7.9127 119.1502 57.8403 41.6653 179.0828 73 K 4.1828 7.6978 116.9754 58.8412 32.1617 178.6895 74 Q 4.3119 7.6277 116.3906 55.9708 29.3147 176.4982 75 S 4.4257 7.0936 115.9703 58.6013 63.4569 173.8952 76 D 4.7246 8.5628 122.0226 56.3054 41.7171 176.9100 77 L 4.5753 7.6936 118.9438 53.9303 45.9789 173.5869 78 V 4.6843 8.6424 126.2269 60.9645 34.4866 174.0933 79 V 4.4301 8.4238 128.3625 61.0449 33.3675 174.2223 80 T 4.7436 8.3625 119.2247 61.0683 70.5305 175.1352 81 L 5.6791 8.9381 123.6875 53.7522 43.4722 174.0000 82 C 4.6967 8.2248 114.1230 55.2474 41.5350 173.3111 83 S 4.5019 8.5477 114.2381 57.2860 61.7128 173.6800 84 D 4.2748 8.3580 129.3820 55.1711 41.5283 176.7384 85 A 4.3480 9.0458 117.8620 52.0508 22.3925 177.6631 86 D 4.2357 7.7701 115.2638 55.1656 41.7254 175.5680 87 N 4.1820 7.9876 113.6845 54.1038 42.6787 174.5422 88 N 4.1542 8.9066 119.2734 54.5262 35.7901 175.4904 89 C 4.5141 7.9437 114.4512 55.5755 41.5783 172.5191 90 P 4.1972 0.0000 0.0000 63.7017 31.5118 176.1463 91 I 4.2655 8.1662 119.6443 58.6050 36.4726 174.0391 92 L 4.8281 8.1805 125.2355 51.2033 44.0683 174.9148 93 P 4.5288 0.0000 0.0000 61.2079 32.2997 174.3935 94 P 4.3632 0.0000 0.0000 63.7785 31.8371 176.3909 95 N 4.0918 8.8145 116.7327 54.6839 36.0932 175.1217 *96 V 3.9393 7.1806 115.8629 59.3697 32.1180 179.7927 97 K 4.2877 8.7236 125.5513 56.0450 32.2842 176.1117 98 K 5.1961 8.4024 123.5871 55.3175 35.8226 175.2516 99 E 4.8082 8.6020 118.5760 55.5230 34.6313 173.6725 100 H 5.0985 8.8882 122.6212 53.6766 32.0500 173.6547 101 W 4.6289 8.8255 126.8527 54.6383 30.7358 174.5660 102 G 3.9160 8.0596 111.7052 45.7339 0.0000 170.8160 103 F 5.0562 8.1536 120.8143 55.3894 43.2772 174.6290 104 D 4.4012 8.8040 121.7006 54.1367 41.3298 175.8867 105 D 4.4049 8.4869 122.9063 53.4780 41.2947 174.1047 106 P 4.1425 0.0000 0.0000 62.4151 31.7670 175.5812 107 A 4.2776 7.5361 123.1776 54.2640 18.3367 178.3831 108 G 4.0075 9.2606 111.6690 45.4043 0.0000 173.3689 109 K 4.4665 7.6913 119.1866 54.6363 33.7641 176.1340 110 E 4.3956 8.4402 117.6363 55.6862 30.5896 177.4618 111 W 4.4126 9.2239 129.6098 61.1498 30.4702 178.2748 112 S 4.3719 8.4602 113.4533 61.5057 62.3773 176.2166 113 E 4.0452 8.5482 122.2769 59.1045 29.1844 179.1277 114 F 3.9229 8.2879 117.5637 60.2490 39.0337 177.6432 115 Q 3.9054 8.0455 117.6937 58.8506 28.3516 178.6058 116 R 3.8533 8.0257 119.6589 59.6074 30.0853 178.7915 117 V 3.5600 7.8026 117.9797 65.6550 31.4716 177.8274 118 R 3.9251 8.0872 118.6563 59.7714 29.8656 178.2338 119 D 4.3075 8.0733 117.6825 56.5048 40.9128 178.5444 120 E 4.0209 7.6486 119.6227 59.1911 29.7203 178.9961 121 I 3.1121 7.5093 120.0105 63.6704 36.9438 178.3761 122 K 2.8011 7.4440 120.4630 59.1033 31.8915 178.5353 123 L 3.8668 7.2442 120.3057 58.0776 41.8988 178.8453 124 A 3.7276 7.7354 120.2504 55.1679 18.3068 179.7516 125 I 4.0205 7.6835 118.2459 64.5311 36.9545 178.5598 126 E 4.0080 8.0916 118.9207 59.2453 29.6724 179.2112 127 K 4.0848 8.1426 118.7282 59.1752 31.8466 179.2158 128 F 4.2467 8.1762 121.1764 61.0269 39.0820 177.0401 129 K 3.8273 7.9732 118.8652 58.5817 31.9807 177.0350 130 L 4.5533 7.0647 116.4882 55.6267 40.9588 176.6511 131 R 4.0738 7.3218 124.1398 57.3401 29.9997 176.4489 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 8.29 4.40 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 2 D 8.13 4.53 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.08 4.07 0.00 1.60 1.69 0.00 1.87 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.45 7.81 4 K 8.03 4.28 0.00 0.79 0.74 0.00 0.62 0.00 0.00 1.09 0.00 0.00 2.66 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.00 0.83 7.81 5 T 9.00 5.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 6 I 8.83 4.93 1.52 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.74 0.79 0.00 0.00 7 Y 8.56 5.24 0.00 2.94 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 8 F 9.12 5.16 0.00 3.10 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.03 5.01 1.64 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.43 0.08 0.00 0.00 10 S 7.77 4.69 0.00 3.89 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 11 T 8.77 4.03 4.22 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 0.00 0.00 0.00 1.30 0.00 0.00 12 G 7.78 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.32 5.74 0.00 2.73 2.70 0.00 0.00 7.13 7.63 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 14 S 8.31 4.85 0.00 3.91 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 15 A 7.42 4.65 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 16 R 7.94 3.81 0.00 1.81 1.98 0.00 3.45 0.00 0.00 3.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 17 S 7.98 4.21 0.00 4.11 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.58 4.03 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.42 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 *20 A 8.05 3.98 0.45 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 21 E 8.12 4.13 0.00 2.29 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 2.32 2.44 0.00 22 G 8.10 3.49 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 0.00 0.00 0.00 23 W 8.00 4.50 0.00 3.30 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.32 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 25 K 8.40 4.10 0.00 2.00 1.92 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.57 7.81 26 E 7.82 4.04 0.00 2.15 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 2.37 2.35 0.00 27 I 7.84 4.15 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.90 0.98 0.00 0.00 28 L 8.84 4.62 0.00 1.97 1.76 0.80 1.02 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 29 G 7.61 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 0.00 0.00 0.00 30 E 9.14 4.11 0.00 2.02 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 0.00 2.36 2.28 0.00 31 G 8.22 3.90 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 0.00 0.00 0.00 32 W 7.92 5.44 0.00 3.26 3.10 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 33 N 9.50 4.49 0.00 2.48 2.00 0.00 0.00 6.16 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 34 V 8.14 4.62 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 1.13 0.00 0.00 1.13 0.00 0.00 35 Y 8.39 5.33 0.00 3.11 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 36 S 8.78 5.40 0.00 4.13 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.73 4.84 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 38 G 8.66 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.63 3.98 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.97 0.90 0.00 0.00 40 E 8.47 4.83 0.00 1.64 1.78 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 2.14 2.09 0.00 41 T 8.51 4.56 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 42 H 8.83 4.67 0.00 3.14 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.06 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 44 V 7.91 4.00 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 0.78 0.00 0.00 0.96 0.00 0.00 45 N 8.74 4.36 0.00 2.93 2.78 0.00 0.00 6.76 7.32 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 46 P 0.00 4.24 0.00 2.14 2.06 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 47 K 8.19 3.80 0.00 0.79 0.74 0.00 1.46 0.00 0.00 1.46 0.00 0.00 3.12 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.22 7.81 48 A 7.59 4.00 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 49 I 7.21 3.70 1.97 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 1.44 0.65 0.86 0.00 0.00 50 E 7.97 4.22 0.00 2.14 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 51 A 7.34 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 K 8.06 4.34 0.00 1.90 2.05 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 E 7.92 4.12 0.00 2.30 2.18 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 2.44 2.47 0.00 55 V 6.97 4.34 2.25 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 0.92 0.00 0.00 0.78 0.00 0.00 56 D 7.94 4.44 0.00 2.84 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 57 I 7.57 4.31 1.35 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.27 0.59 0.00 0.00 58 D 8.52 4.70 0.00 2.56 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 59 I 7.91 4.12 1.43 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.65 0.00 0.00 60 S 7.85 4.15 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 61 N 7.84 4.81 0.00 2.73 2.89 0.00 0.00 6.98 8.16 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 62 H 8.03 4.58 0.00 3.22 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.17 4.51 4.36 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 1.23 0.00 0.00 64 S 8.40 4.72 0.00 3.86 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 65 D 8.94 5.05 0.00 2.85 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 66 L 8.27 4.99 0.00 1.55 1.60 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.00 3.91 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.61 0.93 0.00 0.00 68 D 8.86 4.85 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.92 4.37 0.00 2.79 2.89 0.00 0.00 7.12 8.08 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 70 D 8.04 4.37 0.00 2.82 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 71 I 7.58 3.71 1.45 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.31 0.20 0.00 0.00 72 L 7.91 4.22 0.00 1.86 1.81 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.70 4.18 0.00 1.73 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.71 7.81 74 Q 7.63 4.31 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 75 S 7.09 4.43 0.00 3.88 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.56 4.72 0.00 2.89 2.86 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 77 L 7.69 4.58 0.00 1.83 1.27 0.42 0.82 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 78 V 8.64 4.68 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 0.81 0.00 0.00 1.07 0.00 0.00 79 V 8.42 4.43 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 -0.02 0.00 0.00 -0.47 0.00 0.00 80 T 8.36 4.74 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 81 L 8.94 5.68 0.00 1.69 1.90 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.22 4.70 0.00 2.99 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.55 4.50 0.00 3.88 3.80 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 84 D 8.36 4.27 0.00 2.58 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 85 A 9.05 4.35 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 86 D 7.77 4.24 0.00 2.80 2.61 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 0.00 0.00 0.00 0.00 87 N 7.99 4.18 0.00 2.68 2.66 0.00 0.00 6.89 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 88 N 8.91 4.15 0.00 2.86 2.87 0.00 0.00 7.09 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 89 C 7.94 4.51 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 1.98 1.97 0.00 3.64 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 1.98 2.16 0.00 91 I 8.17 4.27 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 1.41 0.66 0.91 0.00 0.00 92 L 8.18 4.83 0.00 1.58 1.58 0.89 1.08 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 93 P 0.00 4.53 0.00 2.05 1.99 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 94 P 0.00 4.36 0.00 2.22 2.18 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 95 N 8.81 4.09 0.00 2.91 2.97 0.00 0.00 6.80 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 *96 V 7.18 3.94 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 0.72 0.00 0.00 0.93 0.00 0.00 97 K 8.72 4.29 0.00 1.75 1.88 0.00 1.66 0.00 0.00 2.02 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.48 7.81 98 K 8.40 5.20 0.00 1.69 1.73 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 99 E 8.60 4.81 0.00 1.84 1.92 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 2.39 2.35 0.00 100 H 8.89 5.10 0.00 3.10 3.24 0.00 5.68 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 0.00 101 W 8.83 4.63 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 0.00 102 G 8.06 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 0.00 103 F 8.15 5.06 0.00 3.01 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 0.00 104 D 8.80 4.40 0.00 2.66 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 0.00 105 D 8.49 4.40 0.00 2.62 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 0.00 106 P 0.00 4.14 0.00 0.49 1.64 0.00 3.58 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 1.30 1.44 0.00 107 A 7.54 4.28 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 0.00 108 G 9.26 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 0.00 109 K 7.69 4.47 0.00 1.97 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.43 7.81 110 E 8.44 4.40 0.00 2.29 2.18 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 2.45 2.41 0.00 111 W 9.22 4.41 0.00 3.36 3.30 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 0.00 112 S 8.46 4.37 0.00 4.19 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 0.00 113 E 8.55 4.05 0.00 2.18 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 2.36 2.49 0.00 114 F 8.29 3.92 0.00 3.03 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 0.00 115 Q 8.05 3.91 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 116 R 8.03 3.85 0.00 2.01 2.06 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 117 V 7.80 3.56 1.94 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 0.90 0.00 0.00 1.00 0.00 0.00 118 R 8.09 3.93 0.00 2.10 2.20 0.00 3.27 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.91 0.00 119 D 8.07 4.31 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 7.65 4.02 0.00 2.18 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 0.00 2.38 2.49 0.00 121 I 7.51 3.11 1.78 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.32 0.68 0.00 0.00 122 K 7.44 2.80 0.00 0.79 1.25 0.00 0.74 0.00 0.00 1.09 0.00 0.00 2.73 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.86 0.21 7.81 123 L 7.24 3.87 0.00 1.70 1.69 0.82 0.91 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 0.00 124 A 7.74 3.73 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 0.00 125 I 7.68 4.02 2.01 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 1.93 0.93 1.13 0.00 0.00 126 E 8.09 4.01 0.00 1.99 1.94 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 2.27 2.35 0.00 127 K 8.14 4.08 0.00 1.88 1.74 0.00 1.52 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 128 F 8.18 4.25 0.00 3.29 3.37 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 0.00 129 K 7.97 3.83 0.00 1.96 1.96 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.50 7.81 130 L 7.06 4.55 0.00 1.84 1.70 0.92 0.88 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 0.00 131 R 7.32 4.07 0.00 1.62 1.83 0.00 3.22 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.