NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4243 8.3049 120.3272 55.6234 33.3293 175.5780 2 D 4.5073 8.2978 120.3152 52.5454 39.8093 172.9457 3 I 4.1764 8.0150 122.9648 59.4853 39.2064 174.7752 4 D 4.6958 8.5450 126.1789 52.2849 41.4262 174.9883 5 P 4.4359 0.0000 0.0000 64.6528 31.6486 176.2431 6 Y 4.3749 9.1336 116.9991 58.5862 38.9477 177.1255 7 K 4.0053 7.8392 118.9296 59.2848 32.7552 180.1577 8 E 3.7087 7.1497 118.4217 59.3020 29.9010 179.5531 9 F 4.7031 8.1869 115.3270 58.5329 39.7528 175.7855 10 G 4.0936 8.8750 106.3990 46.1990 0.0000 172.8959 11 A 4.8694 7.9907 119.2904 49.9767 23.1599 175.6120 12 T 4.8921 7.9176 108.2258 59.1789 73.0181 175.0934 13 V 3.1686 9.1719 123.8688 65.2286 31.0338 178.4579 14 E 3.7957 8.0648 117.6180 58.9526 29.2996 178.8665 15 L 4.2395 7.5198 119.4924 58.0783 42.4964 178.5097 16 L 4.0158 7.6008 118.3096 57.3430 42.0982 178.0596 17 S 3.8322 7.8112 113.0231 61.3989 61.9463 175.6268 18 F 4.0122 7.5630 123.1272 59.8733 39.3625 176.1202 19 L 3.2904 7.6422 121.1948 53.4782 41.2621 175.2488 20 P 4.5299 0.0000 0.0000 62.3562 32.2437 177.3295 21 S 4.2090 8.8125 116.5754 61.7986 62.9804 176.4736 22 D 4.5498 8.2757 120.3145 55.3047 39.2628 177.5166 23 F 4.0541 8.8738 122.2109 60.9972 39.4103 175.6088 24 F 4.1162 7.8728 117.0250 56.3034 39.2658 173.8666 25 P 4.6187 0.0000 0.0000 61.4020 32.8714 175.8002 26 S 4.1780 8.3964 112.3180 58.4436 63.5032 175.2849 27 V 3.3233 8.4729 122.4362 66.9968 30.9434 177.3625 28 R 3.8433 8.3215 116.8138 59.0957 29.5401 177.4256 29 D 4.0142 9.2910 119.7377 57.8548 41.2613 179.3964 30 L 4.0565 8.4411 119.8533 57.5520 41.6283 178.8752 31 L 3.9106 8.4960 118.8485 58.4925 41.7439 179.2574 32 D 4.4235 9.0654 119.1050 58.3743 40.9169 179.7507 33 T 3.9737 8.7007 115.8317 66.4530 68.4819 176.5930 34 A 4.1718 8.4067 123.1748 55.4853 18.3027 179.6783 35 S 4.0849 8.1372 110.0176 61.3868 62.4943 175.7819 36 A 4.2078 8.3664 123.4499 54.2057 18.3813 177.8457 37 L 4.4963 7.5377 117.0199 54.9561 40.7433 176.0324 38 Y 4.4850 8.0317 115.1003 57.9018 43.0831 175.9277 39 R 3.7495 7.6310 118.3667 60.1904 29.7231 177.7616 40 E 3.8575 7.7921 115.6820 59.3597 30.4974 178.8717 41 A 3.9839 8.1222 121.0344 55.3825 18.5642 178.8469 42 L 4.0677 8.8642 117.6289 58.0554 42.0413 179.7883 43 E 4.1004 9.2330 118.0855 59.1653 29.8320 177.1461 44 S 4.0233 7.5599 113.4238 55.7074 64.7363 172.4226 45 P 4.4911 0.0000 0.0000 63.1383 31.3773 175.5296 46 E 4.3661 8.5170 120.2920 55.1925 29.9158 175.9454 47 H 4.2999 8.5844 121.6630 56.5360 29.2575 175.1199 48 C 4.6004 8.2966 119.7274 59.6267 30.0372 174.1910 49 S 4.7265 7.5648 112.5836 55.7057 64.3759 175.8678 50 P 4.3041 0.0000 0.0000 66.9436 30.5218 178.0751 51 H 4.0575 8.5318 115.4684 58.8385 28.7014 176.6915 52 H 3.9616 8.4728 117.5777 60.1485 28.7329 177.2725 53 T 3.7705 8.5198 115.9981 66.9533 68.2864 175.7329 54 A 3.9728 8.3852 121.9230 55.4908 18.4632 179.0727 55 L 3.8448 7.7149 118.3194 59.0885 41.9792 178.9287 56 R 3.9640 8.2467 117.3970 59.3910 30.0079 178.8801 57 Q 3.9179 8.5362 116.9634 59.2219 28.8884 180.1327 58 A 4.0032 8.7579 121.7678 55.4436 18.4589 179.5853 59 I 3.6642 8.2173 117.3440 64.7316 37.4229 178.2492 60 L 4.1971 8.3176 119.9354 57.9895 41.7187 178.5716 61 C 3.9670 8.1224 118.5781 62.4533 31.3241 175.4780 62 W 4.5111 8.6144 129.9227 60.4942 30.2286 177.9664 63 G 3.6172 8.1518 105.5254 48.0920 0.0000 175.1184 64 E 3.8673 8.2266 120.8432 59.1978 29.3116 179.5545 65 L 3.7919 7.3732 118.2290 57.8856 41.5892 179.2408 66 M 3.6693 7.2015 118.5168 58.6590 31.8554 179.1009 67 T 3.8194 7.9889 115.8360 66.5437 68.6738 176.2991 68 L 3.8170 8.2272 122.4473 58.9527 41.8097 178.4570 69 A 4.0976 8.2781 120.8801 54.6999 18.3103 179.3151 70 T 3.8268 8.6703 113.7234 66.3633 68.4974 176.4333 71 W 4.2664 8.6013 129.6291 60.1223 31.2998 178.1845 72 V 4.2089 8.6179 118.1639 66.3512 30.6298 176.8835 73 G 3.8182 8.5176 106.4426 46.8524 0.0000 173.6537 74 N 4.7075 7.9390 121.1225 51.8316 38.9235 175.3881 75 N 4.5479 7.4470 114.8355 54.2018 45.7800 175.7858 76 L 4.0769 7.1798 118.6288 54.5490 43.0049 174.3461 77 E 3.9270 8.2739 123.9715 56.0350 29.9511 174.8602 78 D 4.3499 8.2661 127.7800 53.2109 41.2775 175.4259 79 P 4.1494 0.0000 0.0000 65.8553 31.2136 177.9204 80 A 3.9341 7.8991 118.1583 55.0891 18.4916 179.0979 81 S 4.3919 8.5927 112.6945 61.0097 63.3882 176.7690 82 R 3.9199 8.0394 119.4728 58.5279 28.8063 177.7832 83 D 4.4972 8.3880 119.8406 56.2523 41.3628 178.0956 84 L 3.9458 8.0413 121.3809 58.4895 41.9544 179.0768 85 V 3.6249 7.8039 117.4008 66.0525 31.5801 177.6931 86 V 3.5831 7.6818 117.1528 66.2635 31.2154 177.8129 87 N 4.4553 8.2631 115.9135 55.7368 38.4840 176.5417 88 Y 4.1359 7.8861 120.8072 61.4764 38.8533 177.8324 89 V 3.4805 8.2335 118.7219 66.4260 31.2543 177.2667 90 N 4.5848 8.6014 118.8453 56.4401 38.8299 174.6219 91 T 4.3709 8.4507 115.1282 63.9576 71.8387 175.8039 92 N 4.4646 7.9583 119.2644 57.4260 39.0844 176.8551 93 M 4.0315 7.4424 119.2593 58.4628 32.0491 179.0635 94 G 3.6681 7.9320 105.2272 47.7993 0.0000 175.0362 95 L 3.7161 8.6837 124.7974 57.8147 41.4506 179.0690 96 K 3.7202 7.8810 117.7983 59.6769 31.9543 179.0338 97 I 3.6762 7.7711 119.6907 64.8582 36.9442 178.3173 98 R 3.7693 7.9883 118.8734 59.8627 29.8323 178.3944 99 Q 4.0665 7.3715 115.9398 59.7037 28.6593 179.2914 100 L 3.9601 8.0965 118.6956 59.0662 42.2106 179.3630 101 L 3.9757 8.5839 118.6298 58.4881 41.6306 178.9019 102 W 4.3314 9.4245 129.1174 58.9745 30.4958 177.6042 103 F 3.5324 10.2104 120.6359 62.6234 39.1436 176.8979 104 H 4.2143 9.0497 116.5454 56.6509 28.0852 178.1276 105 I 3.2164 7.3985 125.1082 64.4386 37.6451 178.0223 106 S 4.0643 7.7358 116.2951 61.6013 62.5188 176.4348 107 C 3.7583 6.9239 119.1820 62.7883 27.6592 176.1561 108 L 4.0950 7.4711 118.5698 56.8672 41.1888 177.8936 109 T 4.5840 8.1845 113.1106 63.1965 70.0558 174.3981 110 F 4.5874 8.0514 116.1864 56.2366 42.9768 174.8213 111 G 3.8658 9.1474 110.4623 46.7194 0.0000 174.7157 112 R 3.7056 8.4104 124.4672 60.1087 30.6639 177.0794 113 E 4.0353 8.6532 117.3931 59.7574 29.1957 178.9409 114 T 3.9425 7.9868 114.7857 67.2260 68.9143 176.4256 115 V 3.4420 8.3227 119.8711 65.9482 31.4951 177.7807 116 L 4.1650 8.8624 119.7543 58.0983 41.5143 179.1075 117 E 4.0075 8.5226 118.6097 60.0564 29.4316 178.5003 118 Y 4.1247 8.2854 118.9425 61.1008 38.6854 178.0835 119 L 4.1547 8.8064 119.8189 58.2262 41.9567 179.9053 120 V 3.6141 8.1556 117.9652 66.3866 31.6139 178.3246 121 S 4.1522 8.3287 114.8995 61.2649 62.5073 176.4232 122 F 3.7911 8.6932 124.2246 61.4887 39.0678 176.6246 123 G 3.6603 8.8626 105.5078 47.5532 0.0000 176.4119 124 V 3.3577 7.5631 122.2439 64.1742 32.1916 177.5914 125 W 3.9270 8.2673 130.5208 58.4683 30.0904 176.9848 126 I 2.6246 8.4072 123.7780 63.9707 37.8416 177.2579 127 R 4.1732 7.9644 117.1426 55.9083 30.0639 175.4424 128 T 4.3872 7.4986 116.0562 61.2293 70.0219 172.8528 129 P 4.1668 0.0000 0.0000 62.5038 31.9322 175.0645 130 P 3.8796 0.0000 0.0000 65.6913 31.4010 178.1178 131 A 3.5734 7.4533 119.0082 54.6603 17.9739 177.3777 132 Y 4.7787 7.6514 109.8322 57.2492 39.9443 176.1161 133 R 3.7802 7.4967 121.1543 55.3905 30.5568 174.5866 134 P 4.4987 0.0000 0.0000 61.4860 31.5341 173.7897 135 P 4.0889 0.0000 0.0000 66.0281 31.3627 175.4302 136 N 4.8263 7.7615 117.9145 50.5713 40.2863 175.2550 137 A 2.5800 7.9808 124.4718 50.3354 19.0371 175.4863 138 P 4.2458 0.0000 0.0000 61.9933 31.4164 176.7229 139 I 4.4163 8.0931 117.3256 59.6084 39.0115 175.0543 140 L 4.2237 8.2113 124.5968 54.5757 42.2269 175.7093 141 S 5.0266 8.3343 119.4670 56.7221 65.8703 173.1533 142 T 4.2200 8.7298 111.1173 61.6318 69.1839 174.6944 143 L 4.0009 7.5731 126.5816 56.1841 42.2614 174.0507 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 8.30 4.42 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 D 8.30 4.51 0.00 2.74 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 3 I 8.01 4.18 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 1.30 0.53 0.92 0.00 0.00 4 D 8.54 4.70 0.00 2.72 2.60 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 0.00 0.00 0.00 0.00 5 P 0.00 4.44 0.00 1.81 2.09 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 6 Y 9.13 4.37 0.00 3.07 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 7 K 7.84 4.01 0.00 1.81 1.83 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.45 7.81 8 E 7.15 3.71 0.00 1.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.25 0.00 9 F 8.19 4.70 0.00 3.29 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 10 G 8.87 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 11 A 7.99 4.87 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 0.00 0.00 0.00 0.00 0.00 12 T 7.92 4.89 4.38 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 1.25 0.00 0.00 13 V 9.17 3.17 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 0.79 0.00 0.00 0.82 0.00 0.00 14 E 8.06 3.80 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 15 L 7.52 4.24 0.00 1.71 1.86 1.07 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.60 4.02 0.00 1.23 1.21 0.72 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.81 3.83 0.00 3.60 3.61 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 18 F 7.56 4.01 0.00 3.21 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 19 L 7.64 3.29 0.00 1.43 0.64 -0.91 -1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.53 0.00 2.61 2.33 0.00 3.31 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 21 S 8.81 4.21 0.00 4.08 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.28 4.55 0.00 2.87 2.94 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 23 F 8.87 4.05 0.00 2.77 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 24 F 7.87 4.12 0.00 3.07 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 25 P 0.00 4.62 0.00 2.18 2.06 0.00 3.91 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 2.06 1.98 0.00 26 S 8.40 4.18 0.00 4.02 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 27 V 8.47 3.32 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 -0.07 0.00 0.00 0.19 0.00 0.00 28 R 8.32 3.84 0.00 2.00 1.80 0.00 3.35 0.00 0.00 3.69 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 29 D 9.29 4.01 0.00 2.79 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 L 8.44 4.06 0.00 1.71 1.66 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.50 3.91 0.00 1.78 1.78 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.07 4.42 0.00 2.78 2.76 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 33 T 8.70 3.97 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 1.24 0.00 0.00 34 A 8.41 4.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.14 4.08 0.00 3.90 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 36 A 8.37 4.21 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 37 L 7.54 4.50 0.00 1.11 1.40 0.65 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.03 4.49 0.00 3.12 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 39 R 7.63 3.75 0.00 1.90 1.87 0.00 3.22 0.00 0.00 3.27 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 40 E 7.79 3.86 0.00 2.12 1.85 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 2.39 2.51 0.00 41 A 8.12 3.98 1.49 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 42 L 8.86 4.07 0.00 1.82 1.81 1.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.23 4.10 0.00 1.96 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 2.37 2.36 0.00 44 S 7.56 4.02 0.00 3.97 4.17 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 45 P 0.00 4.49 0.00 2.18 2.18 0.00 3.75 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 1.96 1.97 0.00 46 E 8.52 4.37 0.00 1.94 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 2.29 2.41 0.00 47 H 8.58 4.30 0.00 3.11 3.23 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 8.30 4.60 0.00 2.83 2.66 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 49 S 7.56 4.73 0.00 4.12 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 50 P 0.00 4.30 0.00 2.00 2.24 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 51 H 8.53 4.06 0.00 3.29 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.47 3.96 0.00 3.41 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.52 3.77 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 1.25 0.00 0.00 54 A 8.39 3.97 1.22 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 0.00 0.00 0.00 55 L 7.71 3.84 0.00 1.63 1.80 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.25 3.96 0.00 1.99 1.94 0.00 3.35 0.00 0.00 3.20 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 57 Q 8.54 3.92 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 58 A 8.76 4.00 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 59 I 8.22 3.66 2.14 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 1.56 0.59 0.98 0.00 0.00 60 L 8.32 4.20 0.00 1.94 1.73 0.95 0.67 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 61 C 8.12 3.97 0.00 3.05 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 62 W 8.61 4.51 0.00 3.43 3.34 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 63 G 8.15 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 64 E 8.23 3.87 0.00 2.12 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 2.38 2.32 0.00 65 L 7.37 3.79 0.00 1.22 1.12 0.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 M 7.20 3.67 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 67 T 7.99 3.82 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 1.20 0.00 0.00 68 L 8.23 3.82 0.00 1.57 1.81 0.77 0.98 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 69 A 8.28 4.10 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 70 T 8.67 3.83 4.39 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 1.26 0.00 0.00 71 W 8.60 4.27 0.00 3.15 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 72 V 8.62 4.21 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 1.06 0.00 0.00 1.22 0.00 0.00 73 G 8.52 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 74 N 7.94 4.71 0.00 2.60 2.74 0.00 0.00 6.99 8.85 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 75 N 7.45 4.55 0.00 1.44 1.42 0.00 0.00 7.14 7.85 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 76 L 7.18 4.08 0.00 1.73 1.54 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.27 3.93 0.00 1.88 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 78 D 8.27 4.35 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 2.19 2.10 0.00 3.68 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 80 A 7.90 3.93 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 81 S 8.59 4.39 0.00 4.05 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 0.00 82 R 8.04 3.92 0.00 2.21 2.25 0.00 2.96 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 83 D 8.39 4.50 0.00 2.93 2.76 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 84 L 8.04 3.95 0.00 1.87 1.69 0.99 1.05 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 85 V 7.80 3.62 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 1.14 0.00 0.00 0.98 0.00 0.00 86 V 7.68 3.58 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 0.97 0.00 0.00 87 N 8.26 4.46 0.00 3.09 2.91 0.00 0.00 6.49 7.49 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 88 Y 7.89 4.14 0.00 3.12 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 89 V 8.23 3.48 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 0.82 0.00 0.00 0.93 0.00 0.00 90 N 8.60 4.58 0.00 3.01 2.97 0.00 0.00 7.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.45 4.37 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 1.20 0.00 0.00 92 N 7.96 4.46 0.00 1.95 2.68 0.00 0.00 6.84 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 93 M 7.44 4.03 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 94 G 7.93 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.68 3.72 0.00 1.48 1.72 0.83 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.88 3.72 0.00 2.00 1.82 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.41 7.81 97 I 7.77 3.68 1.73 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 2.07 0.67 0.28 0.00 0.00 98 R 7.99 3.77 0.00 1.58 1.84 0.00 3.31 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.56 0.00 99 Q 7.37 4.07 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.49 1.77 0.00 100 L 8.10 3.96 0.00 1.82 1.68 0.69 0.65 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 0.00 101 L 8.58 3.98 0.00 1.94 1.74 0.75 1.07 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 0.00 102 W 9.42 4.33 0.00 3.71 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 0.00 103 F 10.21 3.53 0.00 3.75 3.31 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 0.00 104 H 9.05 4.21 0.00 3.22 3.00 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.40 3.22 1.82 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 1.39 0.74 0.94 0.00 0.00 106 S 7.74 4.06 0.00 2.72 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 0.00 107 C 6.92 3.76 0.00 2.37 2.47 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 0.00 108 L 7.47 4.09 0.00 1.22 0.97 -0.30 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.18 4.58 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 110 F 8.05 4.59 0.00 2.74 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 0.00 111 G 9.15 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 0.00 0.00 0.00 112 R 8.41 3.71 0.00 2.03 2.02 0.00 3.41 0.00 0.00 3.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 113 E 8.65 4.04 0.00 2.06 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 2.45 2.41 0.00 114 T 7.99 3.94 4.42 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 1.35 0.00 0.00 115 V 8.32 3.44 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 0.90 0.00 0.00 0.51 0.00 0.00 116 L 8.86 4.17 0.00 1.88 1.86 1.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.52 4.01 0.00 2.23 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 2.40 2.41 0.00 118 Y 8.29 4.12 0.00 3.10 3.27 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 0.00 119 L 8.81 4.15 0.00 2.10 1.92 1.34 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.16 3.61 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 1.04 0.00 0.00 0.99 0.00 0.00 121 S 8.33 4.15 0.00 3.89 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 0.00 122 F 8.69 3.79 0.00 2.46 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 0.00 123 G 8.86 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 0.00 0.00 0.00 124 V 7.56 3.36 2.23 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 0.77 0.00 0.00 0.88 0.00 0.00 125 W 8.27 3.93 0.00 3.24 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 0.00 126 I 8.41 2.62 2.07 0.00 0.00 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 1.42 1.20 1.13 0.00 0.00 127 R 7.96 4.17 0.00 1.75 1.75 0.00 2.94 0.00 0.00 2.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 128 T 7.50 4.39 4.04 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 0.00 0.00 0.00 1.13 0.00 0.00 129 P 0.00 4.17 0.00 2.17 2.20 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.13 0.00 130 P 0.00 3.88 0.00 2.03 2.04 0.00 3.50 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 131 A 7.45 3.57 0.19 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 0.00 132 Y 7.65 4.78 0.00 2.89 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 0.00 133 R 7.50 3.78 0.00 1.53 1.70 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.32 0.00 134 P 0.00 4.50 0.00 2.26 2.05 0.00 4.00 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 135 P 0.00 4.09 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 136 N 7.76 4.83 0.00 2.74 2.75 0.00 0.00 6.86 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 0.00 137 A 7.98 2.58 -0.19 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 0.00 138 P 0.00 4.25 0.00 1.62 1.77 0.00 2.47 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 139 I 8.09 4.42 1.91 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 1.33 0.61 0.91 0.00 0.00 140 L 8.21 4.22 0.00 0.27 0.96 0.43 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.33 5.03 0.00 3.90 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 0.00 142 T 8.73 4.22 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 0.98 0.00 0.00 143 L 7.57 4.00 0.00 1.94 1.79 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00