NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4163 8.2893 118.1910 55.1555 33.3887 175.5511 2 T 4.0792 7.6853 108.9049 60.6725 70.6372 172.8935 3 R 4.6338 9.8594 123.6103 54.5200 33.2335 177.0006 4 R 4.7380 8.6248 123.4173 56.1002 32.1734 176.3300 5 V 4.6844 8.7268 121.6557 61.5118 34.4932 173.8430 6 A 5.0033 9.0561 130.9081 51.3986 20.4460 175.8339 7 I 4.9928 8.9246 122.3767 59.4862 40.5188 175.0781 8 G 4.6151 9.3667 113.8217 44.7299 0.0000 171.4149 9 T 5.8537 8.4665 111.2837 59.2797 72.3282 172.2041 10 D 4.8563 8.1474 121.1214 51.6037 42.2406 176.0523 11 H 4.2532 8.9354 113.2980 58.5615 28.4513 175.7097 12 P 4.2190 0.0000 0.0000 64.8848 31.6426 176.8793 13 A 4.2662 7.7078 119.8996 52.9036 19.3132 178.8399 14 F 4.2111 8.0398 118.9416 61.0471 39.5528 177.1564 15 A 3.6785 8.0808 122.1852 54.1713 18.5375 177.7663 16 I 4.2799 7.3687 108.3596 60.8897 38.0954 177.4926 17 H 4.1435 7.7634 120.7012 59.2927 28.1324 176.9483 18 E 3.8277 7.3718 120.1315 58.1767 29.2655 178.7202 19 N 3.7091 7.5148 116.6676 56.0036 38.7650 177.0216 20 L 3.8232 7.3549 119.9983 57.7281 41.5815 179.5645 21 I 3.6739 7.4227 119.5900 64.3344 37.0595 178.1620 22 L 3.9082 7.7215 120.9824 58.5318 41.6904 178.7027 23 Y 4.3872 7.6544 115.6830 60.8627 37.8673 178.4163 24 V 3.6883 7.7594 118.9088 66.0490 31.8340 178.1575 25 K 4.0569 7.8603 118.3012 59.7069 31.6742 179.1028 26 E 4.1095 8.0621 117.4186 58.9223 29.3943 178.7994 27 A 4.2534 7.8270 120.0055 51.7989 18.2563 177.3629 28 G 4.4658 7.0815 107.9947 44.8003 0.0000 173.4154 29 D 4.4297 8.3208 120.2397 57.1603 41.0149 177.8345 30 E 4.0397 8.1023 114.5510 57.0396 29.7628 175.3822 31 F 5.2196 7.6676 118.7890 56.1725 40.7806 175.4165 32 V 4.4422 8.5869 125.3714 60.2379 32.8135 173.2744 33 P 4.9026 0.0000 0.0000 63.1226 32.4312 176.7074 34 V 4.3288 8.6765 120.9958 61.3256 33.9064 173.0558 35 Y 4.5948 8.6779 129.1956 57.1994 39.2092 174.4333 36 C 4.6024 8.6150 124.2095 59.5407 30.0659 174.6239 37 G 3.7408 5.3800 109.4566 43.2733 0.0000 171.4903 38 P 4.2310 0.0000 0.0000 62.4034 30.8451 177.4343 39 K 4.2434 8.7526 124.3150 58.8012 31.9018 176.3326 40 T 4.1109 7.2961 107.6331 59.9882 71.6623 174.1027 41 A 3.3905 8.5131 123.4618 55.3827 18.4091 177.9966 42 E 3.4311 7.0284 109.0261 54.3465 29.0749 176.7704 43 S 3.7660 8.6023 119.1908 58.4816 62.3755 173.1387 44 V 4.5406 8.0572 119.7830 59.6888 35.5680 174.5475 45 D 4.8206 8.5052 120.4047 53.0318 41.4192 176.9846 46 Y 4.4250 8.9308 124.4373 60.3162 37.5684 177.0165 47 P 4.2719 0.0000 0.0000 65.1741 31.2233 178.2370 48 D 4.2017 8.0657 118.0978 56.9838 40.6739 178.3403 49 F 4.2263 8.1569 117.0003 59.3007 39.4402 177.9389 50 A 4.0679 8.3097 120.8420 55.0575 18.2079 179.5581 51 S 3.9588 8.1458 111.6238 61.4732 62.5170 176.0132 52 R 3.7910 7.5261 121.4730 59.7114 29.7597 178.6138 53 V 3.5812 7.7914 117.2837 65.8236 31.5339 177.5972 54 A 4.0071 8.5568 120.8911 55.4303 18.1456 179.4547 55 E 3.8983 8.7396 117.1456 59.8951 29.4587 179.4344 56 M 4.1983 7.8779 118.2302 58.3816 31.9674 179.1275 57 V 3.7047 7.8544 117.9854 66.0994 31.6025 178.0035 58 A 4.0297 7.9335 119.1566 55.1124 18.3200 179.1465 59 R 4.0742 8.2588 114.4231 56.2773 30.3104 177.1623 60 K 3.9998 7.6888 117.0920 57.4159 29.9970 177.0718 61 E 4.1538 8.4920 121.6180 58.4371 29.6137 177.6800 62 V 4.5808 7.3421 109.3990 59.2189 35.2874 175.0345 63 E 4.0204 8.7996 122.8088 58.4925 30.2053 176.4888 64 F 5.4827 8.5274 116.3606 55.6163 43.6012 174.5224 65 G 4.6182 9.3928 107.1100 44.5014 0.0000 171.7854 66 V 4.9363 9.3125 121.9430 60.7142 34.5872 174.2894 67 L 5.3998 9.1848 127.3098 52.8586 45.4627 175.2711 68 A 5.2728 9.0503 124.8896 50.5260 22.1891 174.7687 69 C 5.5540 8.0291 117.3496 55.9338 32.9851 173.4392 70 G 3.8389 9.0602 103.5060 49.5422 0.0000 175.3319 71 S 4.5943 8.1127 114.4384 56.7121 64.4995 175.1719 72 G 3.9806 8.0649 110.1459 46.3127 0.0000 175.9381 73 I 3.7161 7.3344 119.8187 64.4787 37.1208 178.5189 74 G 2.9607 7.6147 105.9705 47.7921 0.0000 175.4163 75 M 4.2352 7.7212 120.7082 58.2103 32.0487 178.8559 76 S 4.1557 7.9420 113.9931 61.3561 62.9901 176.5038 77 I 3.6637 7.9620 123.3156 64.2036 36.7220 178.3265 78 A 4.1254 8.0375 119.8452 55.1810 18.5298 179.2817 79 A 4.1267 8.3001 119.3036 55.1602 18.2427 179.3556 80 N 4.5062 7.9286 113.3356 55.5148 38.7365 177.2686 81 K 4.2148 7.5852 117.9401 57.1722 32.2905 176.8922 82 V 4.0376 7.2604 120.5539 60.4817 32.0763 173.4884 83 P 4.5628 0.0000 0.0000 64.3757 31.5785 176.6651 84 G 3.9291 9.2772 110.0996 45.0299 0.0000 173.3936 85 V 4.3267 7.1062 119.2959 61.3733 32.8153 175.4721 86 R 4.5776 9.6372 125.9214 54.3855 32.1244 173.3648 87 A 5.1361 9.2713 125.7007 50.0960 20.8539 175.6841 88 A 4.6006 9.2060 125.6519 49.8889 21.4086 175.4761 89 L 4.5526 8.6807 125.5678 55.6338 42.2776 175.7204 90 C 5.1361 8.5334 124.4322 58.3175 30.6314 174.0560 91 H 4.8853 8.6432 113.9776 54.9510 29.8198 172.2401 92 D 4.5657 7.2422 118.5752 51.8892 41.9202 175.1245 93 H 4.1234 8.8842 117.2769 59.6245 29.6563 176.7042 94 Y 3.9623 8.0188 121.1433 60.9651 38.8104 177.8473 95 T 3.8155 8.4380 110.5449 64.6338 68.3787 176.3293 96 A 4.0360 7.7652 123.5148 54.8567 18.3468 179.4883 97 A 3.6760 7.9304 119.3543 55.6761 18.4626 179.8954 98 M 3.7580 7.8876 117.5614 58.1198 31.8254 178.9306 99 S 4.2213 8.1656 114.6822 61.6068 62.7495 177.0096 100 R 3.7867 7.4594 120.9587 58.9036 30.1183 178.6436 101 I 3.8469 7.8263 119.6051 64.7868 36.9648 177.9171 102 H 4.2098 8.3673 114.9732 57.7530 29.3386 176.2564 103 N 4.5287 8.0600 113.8219 52.6329 39.5352 174.2365 104 D 4.1375 7.9106 117.1361 54.8521 39.4697 173.4904 105 A 4.3541 8.1548 122.3027 52.4702 19.5119 177.5186 106 N 5.4021 9.4073 117.9826 52.7510 39.7785 174.1287 107 I 5.1955 7.9435 121.0560 59.5511 41.2592 174.3067 108 V 4.0888 8.0481 126.7705 60.1686 33.3669 174.6084 109 C 5.3299 8.9707 122.5957 58.0935 31.1547 173.3801 110 V 4.6374 8.6948 114.9534 59.6847 36.4362 174.3587 111 G 4.3124 8.3944 110.5355 43.8442 0.0000 174.4762 112 E 4.1128 9.0588 127.6661 58.8239 29.8703 177.8819 113 R 4.2941 8.0855 116.6669 57.0731 30.8683 177.0128 114 T 4.3997 7.8760 107.2907 62.0068 70.6736 174.1595 115 T 4.5178 7.6739 118.3497 60.8149 70.9241 174.9526 116 G 3.8115 8.4398 112.7325 44.5391 0.0000 174.8034 117 V 3.7475 8.2943 114.8437 64.3395 31.6070 178.8486 118 E 4.0005 8.0669 117.8169 58.8965 29.3640 179.1456 119 V 3.6518 7.6400 118.0536 65.4663 31.6754 177.8728 120 I 3.6434 7.7903 119.7846 64.2736 36.9780 178.1683 121 R 3.1070 7.8993 119.7744 59.2017 29.6586 178.1974 122 E 3.8484 7.6590 118.5222 59.1089 29.5257 178.6830 123 I 3.6500 8.1763 120.2048 64.4533 37.1718 178.4575 124 I 3.6077 7.7841 120.3937 64.4050 37.0064 178.4085 125 I 3.5393 7.6012 120.4924 64.8087 36.9799 178.5967 126 T 3.8015 7.9746 116.3716 66.4501 68.0289 176.2716 127 F 3.8759 8.0633 121.4182 61.4930 39.4929 176.9319 128 L 3.3779 7.6328 116.9835 57.4454 41.3283 179.0794 129 Q 4.3544 7.7538 116.6542 56.9066 29.1101 176.4610 130 T 4.2001 7.2513 117.5964 62.0581 69.1608 172.8378 131 P 4.6691 0.0000 0.0000 61.4279 32.7531 175.6885 132 F 4.9612 8.8354 121.7342 57.7894 39.9009 175.6646 133 S 3.9116 8.0391 122.1453 59.3609 62.9791 175.7295 134 G 3.4592 5.4164 106.5643 45.6583 0.0000 173.8562 135 E 4.0809 7.0929 118.8464 55.4233 31.4315 177.1899 136 E 3.9108 8.7011 123.1206 59.7269 29.7427 179.7151 137 R 3.9751 7.8262 115.3586 59.4026 29.4614 178.4861 138 H 4.3497 7.9487 116.5098 58.6901 28.8861 177.3321 139 V 3.7343 7.8988 120.1131 66.3311 31.3269 177.7631 140 R 3.9042 8.0289 118.0529 59.7605 29.7303 178.6585 141 R 3.9648 8.1418 117.5620 59.3817 30.2041 179.0989 142 I 3.7189 8.2176 120.0579 64.3430 37.0510 178.1401 143 E 3.9903 8.4997 120.3600 59.1259 29.4841 179.0223 144 K 4.2462 8.2002 118.6326 59.2108 32.0496 179.4831 145 I 3.7323 7.5182 120.3414 64.1712 36.9609 178.2401 146 R 4.0992 8.1483 120.3824 58.9289 30.0442 178.3073 147 A 3.9815 8.5446 120.7739 55.2086 18.0748 179.5951 148 I 3.6725 7.5115 117.2952 64.6069 37.6271 178.0000 149 E 4.1276 8.1381 118.9725 59.5599 29.1195 179.2668 150 A 4.1358 8.0095 119.6717 55.2054 18.5483 179.4162 151 S 4.2216 7.9244 110.2497 60.3364 63.1721 174.1456 152 H 4.4940 7.8238 124.6928 56.0155 29.0021 173.4156 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 4.42 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 2 T 7.69 4.08 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 3 R 9.86 4.63 0.00 1.91 2.23 0.00 3.52 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 4 R 8.62 4.74 0.00 1.83 1.91 0.00 3.09 0.00 0.00 3.51 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 5 V 8.73 4.68 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.33 0.00 0.00 6 A 9.06 5.00 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 7 I 8.92 4.99 2.09 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 1.10 0.00 0.00 8 G 9.37 4.62 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 9 T 8.47 5.85 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 1.34 0.00 0.00 10 D 8.15 4.86 0.00 2.94 2.99 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 0.00 0.00 0.00 11 H 8.94 4.25 0.00 3.35 3.82 0.00 5.46 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.22 0.00 2.17 2.17 0.00 3.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.84 0.00 13 A 7.71 4.27 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 14 F 8.04 4.21 0.00 3.04 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 15 A 8.08 3.68 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 16 I 7.37 4.28 1.79 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 1.32 0.76 0.86 0.00 0.00 17 H 7.76 4.14 0.00 3.30 3.59 0.00 5.45 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.37 3.83 0.00 1.71 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 2.13 1.82 0.00 19 N 7.51 3.71 0.00 2.70 2.19 0.00 0.00 7.17 6.74 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 20 L 7.35 3.82 0.00 1.83 1.71 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.42 3.67 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.92 0.88 0.00 0.00 22 L 7.72 3.91 0.00 1.69 1.59 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.65 4.39 0.00 2.91 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 24 V 7.76 3.69 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.98 0.00 0.00 25 K 7.86 4.06 0.00 2.02 1.91 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.67 7.81 26 E 8.06 4.11 0.00 2.21 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 2.41 2.63 0.00 27 A 7.83 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.08 4.47 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 0.00 29 D 8.32 4.43 0.00 2.67 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 30 E 8.10 4.04 0.00 1.91 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 0.00 1.47 1.84 0.00 31 F 7.67 5.22 0.00 3.15 3.05 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 32 V 8.59 4.44 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 1.05 0.00 0.00 0.98 0.00 0.00 33 P 0.00 4.90 0.00 2.19 2.11 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 2.04 2.14 0.00 34 V 8.68 4.33 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 1.06 0.00 0.00 1.05 0.00 0.00 35 Y 8.68 4.59 0.00 3.03 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 36 C 8.62 4.60 0.00 2.87 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 37 G 5.38 3.74 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 0.00 0.00 0.00 38 P 0.00 4.23 0.00 2.09 1.79 0.00 3.61 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.22 0.00 39 K 8.75 4.24 0.00 1.79 1.98 0.00 1.87 0.00 0.00 1.95 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.47 7.81 40 T 7.30 4.11 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 41 A 8.51 3.39 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 42 E 7.03 3.43 0.00 2.11 1.86 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 2.16 2.19 0.00 43 S 8.60 3.77 0.00 3.68 3.75 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 44 V 8.06 4.54 2.43 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 0.96 0.00 0.00 0.87 0.00 0.00 45 D 8.51 4.82 0.00 2.86 2.46 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 0.00 0.00 0.00 0.00 46 Y 8.93 4.43 0.00 3.31 3.52 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 0.00 0.00 0.00 0.00 47 P 0.00 4.27 0.00 1.98 1.99 0.00 3.21 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.00 48 D 8.07 4.20 0.00 2.48 2.26 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 49 F 8.16 4.23 0.00 3.11 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 50 A 8.31 4.07 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.15 3.96 0.00 3.97 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 52 R 7.53 3.79 0.00 1.87 2.03 0.00 3.04 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 1.61 1.60 0.00 53 V 7.79 3.58 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 1.03 0.00 0.00 1.02 0.00 0.00 54 A 8.56 4.01 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 55 E 8.74 3.90 0.00 1.92 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 2.54 2.48 0.00 56 M 7.88 4.20 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 57 V 7.85 3.70 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 1.03 0.00 0.00 1.05 0.00 0.00 58 A 7.93 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.26 4.07 0.00 1.87 1.98 0.00 3.40 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 60 K 7.69 4.00 0.00 1.92 1.91 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.37 7.81 61 E 8.49 4.15 0.00 2.07 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 2.34 2.28 0.00 62 V 7.34 4.58 2.30 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 0.75 0.00 0.00 1.07 0.00 0.00 63 E 8.80 4.02 0.00 1.84 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 1.47 2.01 0.00 64 F 8.53 5.48 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 65 G 9.39 4.62 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 66 V 9.31 4.94 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 1.04 0.00 0.00 0.89 0.00 0.00 67 L 9.18 5.40 0.00 1.53 1.52 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 A 9.05 5.27 1.20 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 0.00 0.00 0.00 69 C 8.03 5.55 0.00 3.12 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 70 G 9.06 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.11 4.59 0.00 3.92 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 72 G 8.06 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 73 I 7.33 3.72 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.52 0.87 0.00 0.00 74 G 7.61 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 0.00 0.00 0.00 75 M 7.72 4.24 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 76 S 7.94 4.16 0.00 4.07 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.96 3.66 1.95 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 1.48 1.29 0.96 0.00 0.00 78 A 8.04 4.13 1.50 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 0.00 0.00 0.00 79 A 8.30 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.93 4.51 0.00 2.84 2.91 0.00 0.00 7.05 8.43 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 81 K 7.59 4.21 0.00 1.94 1.88 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.60 7.81 82 V 7.26 4.04 2.20 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 1.13 0.00 0.00 0.99 0.00 0.00 83 P 0.00 4.56 0.00 2.22 2.05 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 84 G 9.28 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 85 V 7.11 4.33 2.37 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 0.92 0.00 0.00 0.97 0.00 0.00 86 R 9.64 4.58 0.00 1.73 1.84 0.00 3.25 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 87 A 9.27 5.14 1.28 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 88 A 9.21 4.60 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 89 L 8.68 4.55 0.00 1.64 1.63 0.89 0.92 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 90 C 8.53 5.14 0.00 2.84 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 91 H 8.64 4.89 0.00 3.25 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.24 4.57 0.00 2.82 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 93 H 8.88 4.12 0.00 3.43 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.02 3.96 0.00 3.17 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 95 T 8.44 3.82 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 1.35 0.00 0.00 96 A 7.77 4.04 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 97 A 7.93 3.68 1.13 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 0.00 0.00 98 M 7.89 3.76 0.00 1.71 1.75 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 99 S 8.17 4.22 0.00 4.19 4.37 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 0.00 100 R 7.46 3.79 0.00 1.88 1.97 0.00 2.71 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.46 0.00 101 I 7.83 3.85 1.76 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 1.48 1.21 0.93 0.00 0.00 102 H 8.37 4.21 0.00 3.15 3.25 0.00 5.66 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 0.00 103 N 8.06 4.53 0.00 2.91 2.85 0.00 0.00 7.08 8.06 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 0.00 104 D 7.91 4.14 0.00 1.58 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 0.00 0.00 0.00 0.00 105 A 8.15 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 106 N 9.41 5.40 0.00 2.86 3.05 0.00 0.00 6.64 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.94 5.20 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.00 0.90 0.00 0.00 108 V 8.05 4.09 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.50 0.00 0.00 109 C 8.97 5.33 0.00 2.77 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 0.00 110 V 8.69 4.64 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 0.66 0.00 0.00 0.91 0.00 0.00 111 G 8.39 4.31 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 0.00 112 E 9.06 4.11 0.00 1.92 1.98 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 2.31 2.42 0.00 113 R 8.09 4.29 0.00 1.95 1.95 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 114 T 7.88 4.40 4.23 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 1.19 0.00 0.00 115 T 7.67 4.52 4.31 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 1.25 0.00 0.00 116 G 8.44 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 0.00 117 V 8.29 3.75 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 0.83 0.00 0.00 1.00 0.00 0.00 118 E 8.07 4.00 0.00 1.92 1.91 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 2.37 2.27 0.00 119 V 7.64 3.65 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 0.90 0.00 0.00 120 I 7.79 3.64 2.07 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 0.55 1.03 0.00 0.00 121 R 7.90 3.11 0.00 0.67 1.53 0.00 2.68 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.00 122 E 7.66 3.85 0.00 2.07 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 2.32 2.33 0.00 123 I 8.18 3.65 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.52 0.83 0.00 0.00 124 I 7.78 3.61 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.61 0.88 0.00 0.00 125 I 7.60 3.54 1.80 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 1.46 0.95 0.89 0.00 0.00 126 T 7.97 3.80 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 1.06 0.00 0.00 127 F 8.06 3.88 0.00 3.02 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 0.00 128 L 7.63 3.38 0.00 1.00 0.23 0.48 0.30 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 0.00 129 Q 7.75 4.35 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 130 T 7.25 4.20 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 1.20 0.00 0.00 131 P 0.00 4.67 0.00 2.20 2.08 0.00 3.76 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 1.96 1.96 0.00 132 F 8.84 4.96 0.00 3.03 3.02 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 0.00 133 S 8.04 3.91 0.00 4.05 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 0.00 0.00 0.00 0.00 0.00 134 G 5.42 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.09 4.08 0.00 1.96 1.74 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 2.25 2.20 0.00 136 E 8.70 3.91 0.00 2.01 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 2.37 2.38 0.00 137 R 7.83 3.98 0.00 2.04 2.12 0.00 2.96 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 138 H 7.95 4.35 0.00 3.54 3.87 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.90 3.73 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.19 0.00 0.00 140 R 8.03 3.90 0.00 2.02 2.10 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 141 R 8.14 3.96 0.00 2.17 2.00 0.00 3.33 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 142 I 8.22 3.72 1.96 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.27 0.82 0.00 0.00 143 E 8.50 3.99 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 2.32 2.40 0.00 144 K 8.20 4.25 0.00 2.05 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.68 7.81 145 I 7.52 3.73 2.04 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 1.42 1.07 0.92 0.00 0.00 146 R 8.15 4.10 0.00 2.05 2.08 0.00 3.30 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 147 A 8.54 3.98 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 0.00 148 I 7.51 3.67 2.07 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 1.55 0.87 0.97 0.00 0.00 149 E 8.14 4.13 0.00 2.30 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 2.35 2.35 0.00 150 A 8.01 4.14 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 0.00 151 S 7.92 4.22 0.00 3.98 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 0.00 152 H 7.82 4.49 0.00 3.10 3.19 0.00 5.69 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