NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1667 8.3031 122.0296 56.4520 33.0195 174.6163 3 G 3.9845 8.1924 115.0910 43.0335 0.0000 170.8078 4 D 4.4132 9.4796 121.2083 54.8390 42.0649 176.5269 5 K 4.0291 8.9529 124.8245 59.4833 32.0171 179.5639 6 K 3.9828 8.1361 118.5149 59.1109 32.0795 179.3381 7 V 3.6834 7.8853 118.5238 66.1606 31.3701 178.2480 8 I 3.8034 7.6932 119.1018 64.2665 36.7926 178.2839 9 Q 3.9652 8.1777 119.0030 59.4876 28.5136 178.8550 10 H 4.2199 8.4898 117.4264 58.6269 28.6840 178.0199 11 L 3.9944 7.9893 120.8524 58.0020 41.4786 179.2897 12 N 4.5546 8.4032 116.2872 55.7565 38.4468 177.3722 13 K 3.9762 7.6968 121.5009 59.1814 32.3509 178.7742 14 I 3.6943 7.8943 120.1904 64.4572 37.0776 178.1365 15 L 4.0428 8.6502 121.4159 57.9944 41.8065 179.3926 16 G 3.5591 7.8102 105.7310 47.7803 0.0000 175.5571 17 N 4.3611 8.0003 118.8496 56.0340 38.5660 177.4176 18 E 3.9469 8.4070 120.1172 59.2680 29.4059 179.2876 19 L 3.9176 8.0087 119.0168 57.8887 41.6981 179.5043 20 I 3.6242 7.6115 119.2207 64.4485 36.9842 178.3443 21 A 3.2364 8.1335 121.6959 54.7958 18.0939 179.2948 22 I 3.5501 7.9533 118.6646 65.1215 37.1799 178.3850 23 N 4.3952 7.8334 116.8635 56.1345 38.2878 177.4691 24 Q 3.8555 7.8934 121.0964 59.4818 29.1792 178.0083 25 Y 4.6820 7.9750 119.3304 60.5339 37.8816 178.0714 26 F 3.9684 8.4047 121.8284 60.9360 39.4701 177.0253 27 L 3.9292 8.3489 120.1836 58.6137 41.9095 178.3957 28 H 3.8071 8.2890 116.3697 58.9081 28.5502 177.4212 29 S 4.2991 8.6648 114.8887 61.8425 62.2704 176.7050 30 R 3.8462 7.7692 120.1134 58.9281 29.6499 179.1516 31 M 3.4288 8.0168 119.4576 57.8178 31.8154 178.6097 32 W 4.4981 7.8993 119.2723 59.9013 29.1610 178.3572 33 N 4.3501 8.4019 116.4388 56.4699 37.8067 176.6622 34 D 4.3209 7.6489 118.0208 57.3580 41.2435 178.0186 35 W 4.8713 7.8226 116.6945 57.0137 29.2792 177.2570 36 G 3.9535 8.4518 108.0190 45.9337 0.0000 174.4626 37 L 4.8037 8.0136 121.2397 53.4108 40.4701 177.9089 38 K 4.0841 8.3088 121.0155 59.2379 32.4222 179.3809 39 R 3.8757 7.8502 118.9358 59.4189 29.9853 178.6244 40 L 3.9923 7.7789 118.4668 57.2437 41.5385 179.3639 41 G 3.7941 8.0914 105.7780 48.0051 0.0000 175.6240 42 A 4.0840 8.1800 123.4251 54.8824 18.4470 179.2552 43 H 4.0861 8.1561 116.6154 59.2822 29.5514 177.0700 44 E 4.1359 8.4239 121.1568 58.8504 29.5483 177.8992 45 Y 4.0159 8.2027 119.9255 61.0495 38.8544 177.8907 46 H 4.0568 8.1651 116.6085 58.8700 28.6413 177.5356 47 E 3.8747 8.1447 120.3884 59.3716 29.3415 179.4620 48 S 4.2492 7.9681 112.9749 61.5148 62.6026 176.0697 49 I 3.5821 7.4728 122.4333 64.6546 36.7622 177.9913 50 D 4.2825 8.0837 119.4116 57.5740 40.5613 178.9110 51 E 4.0728 8.0287 118.8840 59.5436 29.4426 179.2293 52 M 4.0250 7.8942 118.5086 58.1020 32.0255 178.8048 53 K 4.0765 7.8547 118.6203 59.3543 32.4736 179.0279 54 H 4.3085 8.4294 116.6263 58.7131 28.5080 177.7608 55 A 3.9799 8.2810 122.7847 55.1051 18.3052 178.9080 56 D 4.2833 8.0938 116.6197 57.7608 41.2086 178.9355 57 K 4.0347 7.9649 118.2458 59.3923 31.9632 179.4647 58 L 4.0404 7.9336 119.1200 57.6907 41.6387 179.3773 59 I 3.7033 8.0036 120.0083 64.5887 37.0846 178.3364 60 E 4.0076 8.1634 119.1476 59.2233 29.1949 179.3573 61 R 3.9878 8.0222 118.7321 59.6406 30.2280 178.4924 62 I 3.7259 7.9583 119.6479 64.5345 37.1162 178.4695 63 L 4.0343 7.9349 119.4753 57.7201 41.2357 179.3369 64 F 4.2960 8.1635 119.5847 61.2007 39.5815 176.5740 65 L 3.8623 8.2960 116.1490 54.4115 41.0848 176.9848 66 E 3.9205 7.8962 117.5685 57.4122 27.2661 174.7572 67 G 3.8970 8.2326 108.0921 44.2543 0.0000 173.7451 68 L 4.5475 7.9900 118.9287 51.9420 42.3894 175.2395 69 P 4.3175 0.0000 0.0000 62.6507 31.6965 176.1921 70 N 4.6500 9.4466 122.6965 52.4201 37.9897 174.0260 71 L 4.4910 8.1521 123.2980 54.5023 42.4367 177.8223 72 Q 4.0586 8.5036 121.6087 58.6347 29.2369 175.9432 73 D 4.5302 8.1335 117.2265 53.2742 41.4836 175.3000 74 L 4.5524 8.3110 126.1462 52.7383 43.7599 176.8133 75 G 3.7899 8.3883 116.5709 45.1187 0.0000 171.0252 76 K 4.2137 8.3745 121.3510 55.2460 32.5010 177.2492 77 L 4.1165 8.3788 126.8290 54.4452 42.2838 176.7825 78 L 4.5152 9.0131 123.8274 53.2798 41.8158 175.7502 79 I 4.3948 8.2002 124.8910 59.5049 38.4238 176.6059 80 G 4.0183 8.6091 114.7027 44.6351 0.0000 172.8643 81 E 4.5899 8.5275 115.6695 56.2909 30.7621 175.3251 82 N 4.9717 7.6289 116.7971 51.0094 41.6201 174.8158 83 T 4.5243 8.6898 116.2277 67.2730 68.6023 176.4928 84 Q 3.9614 8.2230 120.7858 59.1757 29.1783 177.5916 85 E 4.0004 8.4367 120.1270 59.4620 29.7248 178.8109 86 M 3.9756 8.2667 118.8039 58.3610 32.0558 178.6741 87 L 4.1963 8.1576 119.2043 57.8834 41.8372 179.1992 88 Q 4.1386 8.0336 118.6046 58.6217 29.0124 177.7400 89 C 4.2643 8.3848 118.3190 62.8445 28.3012 175.6167 90 D 4.6626 8.1841 120.4500 57.0801 40.3514 178.6638 91 L 3.9480 8.0778 121.0009 58.1823 42.1693 178.4770 92 N 4.3111 8.0604 116.4005 56.5101 38.5354 176.9122 93 L 3.9961 8.0066 121.4019 58.4242 42.0369 178.7663 94 E 4.2524 8.1942 117.6076 58.6945 29.6224 179.0741 95 L 4.0732 8.1484 119.6293 57.2783 41.6526 179.2055 96 K 3.9111 8.1182 119.4772 59.6432 32.2409 178.8782 97 A 4.0557 8.0596 120.9266 55.2605 18.2157 179.8202 98 T 3.8679 7.8077 114.4463 66.4967 68.3806 176.8340 99 K 3.9118 7.9778 121.2918 59.7012 32.4034 178.5502 100 D 4.3889 8.2570 119.1270 57.2478 40.6568 178.5795 101 L 3.9831 7.9225 119.4438 58.1456 41.7403 179.7123 102 R 3.9250 7.9218 117.6126 59.5718 30.1155 179.0107 103 E 3.9874 8.0646 118.0278 59.3544 29.3688 179.2721 104 A 3.7267 7.9556 120.3530 54.6706 18.4332 179.8773 105 I 3.6240 7.9627 118.8060 64.4894 37.3107 178.5539 106 V 3.5840 7.7893 119.1068 66.4312 31.4136 177.5695 107 H 4.1014 8.0360 117.2955 59.3562 29.7021 176.9800 108 C 4.0099 8.2472 118.7681 62.7641 28.0290 175.6835 109 E 3.8766 8.2267 120.8475 59.3807 28.9950 178.7212 110 Q 3.9962 7.7640 118.3540 58.5398 29.1439 177.4284 111 V 3.8979 7.0681 110.3844 60.7763 31.7283 175.9292 112 H 3.2172 7.3891 114.0827 56.9327 26.9829 176.4885 113 D 4.5123 7.4293 120.6089 53.4170 37.4471 176.1601 114 Y 4.2773 7.1105 121.0773 60.8475 38.3500 178.2786 115 V 3.6994 7.8533 118.9714 65.9662 31.7760 178.1640 116 S 4.1683 8.7617 115.3913 61.4515 62.6507 176.4843 117 R 3.9331 8.1747 121.4945 59.3914 29.7244 178.0240 118 D 4.3972 7.8563 118.0730 56.7702 41.2620 178.0461 119 L 3.9646 7.7383 121.2093 58.1174 42.0778 178.9506 120 L 4.0070 7.8865 118.9288 57.6860 41.5267 179.4565 121 K 3.9169 8.0977 119.6400 59.4130 31.8849 178.7604 122 D 4.3288 7.9833 118.9105 57.2675 40.6815 178.5566 123 I 3.5113 7.7370 120.2371 64.3551 37.1637 177.8613 124 L 3.9074 8.5300 121.4106 58.6387 41.8479 178.8518 125 E 4.0028 8.2509 118.8127 59.1174 29.5105 178.7905 126 S 4.1537 7.7621 113.4093 61.3870 62.5494 175.9884 127 E 4.1556 8.6064 121.6235 59.3845 29.2786 179.0580 128 E 4.1595 8.2976 118.4981 58.9195 29.6710 179.0131 129 E 4.0957 8.2725 119.0752 59.3128 29.4843 178.7312 130 H 4.3676 8.3052 118.5111 59.4384 29.9358 177.1956 131 I 3.7122 7.9055 121.6472 64.5975 36.9710 177.8329 132 D 4.3299 8.1296 118.3914 57.4523 40.9759 177.6412 133 Y 4.1271 8.0268 119.6409 60.6635 38.8275 178.1821 134 L 3.6444 8.0359 119.7196 57.9295 41.9425 179.4029 135 E 3.9648 8.4509 118.6273 59.4773 29.2759 179.5580 136 T 3.9757 7.5194 115.4179 66.1865 68.7521 177.0295 137 Q 3.7786 7.9440 120.3158 58.7160 28.2031 178.8480 138 L 3.8358 7.7419 119.9695 57.8421 41.8724 179.9622 139 G 3.6623 7.8491 105.0973 47.6237 0.0000 175.6340 140 L 4.0817 7.6453 121.1515 57.5437 41.6006 179.4802 141 I 3.5871 7.3147 119.8805 64.3127 36.7267 178.4327 142 Q 4.0142 7.5232 116.9432 58.3527 28.5854 178.0719 143 K 4.2679 7.6788 118.0363 57.4346 32.6089 177.8239 144 V 4.2421 8.2268 109.6138 60.3190 33.6525 176.6252 145 G 3.9885 8.0872 107.8004 45.4681 0.0000 174.5546 146 L 4.0006 8.5334 123.0725 58.0781 42.0423 179.4059 147 E 4.0604 8.1048 118.1421 59.2298 29.5357 178.7764 148 N 4.3410 8.0999 116.1963 56.3291 38.4755 176.6434 149 Y 3.9727 7.8442 119.8665 60.7778 39.1646 177.8494 150 L 4.0439 8.1073 119.9384 57.6381 41.5686 179.0711 151 Q 3.9190 8.1327 119.6371 59.3918 28.7858 178.1621 152 S 4.4787 7.8595 112.3384 59.4560 63.2577 174.2189 153 H 4.6201 7.8644 118.9349 55.7372 29.6533 175.8234 154 M 4.1920 7.6979 120.2656 57.6582 32.0950 176.2634 155 H 5.0437 7.4534 114.8714 54.3801 30.6088 175.3729 156 E 4.1290 8.5810 119.9635 56.8507 29.3342 177.0448 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 2 K 8.30 4.17 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.37 7.81 3 G 8.19 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 4 D 9.48 4.41 0.00 2.79 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 5 K 8.95 4.03 0.00 1.82 1.83 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 K 8.14 3.98 0.00 1.98 1.59 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.47 7.81 7 V 7.89 3.68 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 1.05 0.00 0.00 0.98 0.00 0.00 8 I 7.69 3.80 1.86 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 1.52 0.61 0.90 0.00 0.00 9 Q 8.18 3.97 0.00 2.31 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 10 H 8.49 4.22 0.00 3.41 3.32 0.00 5.62 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 11 L 7.99 3.99 0.00 1.87 1.73 0.95 0.46 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 12 N 8.40 4.55 0.00 2.91 2.87 0.00 0.00 6.73 7.39 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 13 K 7.70 3.98 0.00 1.89 1.96 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.24 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 I 7.89 3.69 2.01 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 1.70 0.70 0.92 0.00 0.00 15 L 8.65 4.04 0.00 1.70 1.88 0.92 1.09 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 16 G 7.81 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 0.00 0.00 0.00 17 N 8.00 4.36 0.00 2.91 2.88 0.00 0.00 7.06 7.20 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 18 E 8.41 3.95 0.00 1.97 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 2.55 2.53 0.00 19 L 8.01 3.92 0.00 1.80 1.68 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.61 3.62 1.94 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 1.42 0.71 0.90 0.00 0.00 21 A 8.13 3.24 1.01 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 22 I 7.95 3.55 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.84 0.00 0.00 23 N 7.83 4.40 0.00 2.72 2.83 0.00 0.00 6.77 7.99 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 24 Q 7.89 3.86 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.28 0.00 25 Y 7.98 4.68 0.00 3.04 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 26 F 8.40 3.97 0.00 3.28 3.07 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 27 L 8.35 3.93 0.00 1.88 1.66 0.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.29 3.81 0.00 3.47 2.85 0.00 5.70 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 29 S 8.66 4.30 0.00 3.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.77 3.85 0.00 1.97 1.88 0.00 2.96 0.00 0.00 2.64 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 31 M 8.02 3.43 0.00 0.79 1.56 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.18 0.00 32 W 7.90 4.50 0.00 3.66 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 33 N 8.40 4.35 0.00 2.72 2.85 0.00 0.00 6.66 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 34 D 7.65 4.32 0.00 2.60 2.53 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 35 W 7.82 4.87 0.00 3.76 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.45 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 37 L 8.01 4.80 0.00 2.01 1.62 1.31 0.69 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 K 8.31 4.08 0.00 2.06 1.86 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.85 3.88 0.00 1.97 1.81 0.00 2.75 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 40 L 7.78 3.99 0.00 1.23 0.39 0.32 0.32 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 41 G 8.09 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 0.00 0.00 0.00 42 A 8.18 4.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.16 4.09 0.00 3.23 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.42 4.14 0.00 2.53 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 0.00 2.75 2.70 0.00 45 Y 8.20 4.02 0.00 3.04 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 46 H 8.17 4.06 0.00 3.39 3.25 0.00 5.88 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 47 E 8.14 3.87 0.00 2.09 1.80 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 2.32 2.27 0.00 48 S 7.97 4.25 0.00 4.18 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 0.00 49 I 7.47 3.58 1.86 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 1.11 0.65 0.84 0.00 0.00 50 D 8.08 4.28 0.00 2.78 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 51 E 8.03 4.07 0.00 2.02 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 2.69 2.52 0.00 52 M 7.89 4.03 0.00 2.05 2.19 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 2.78 2.52 0.00 53 K 7.85 4.08 0.00 1.96 1.83 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.55 7.81 54 H 8.43 4.31 0.00 3.43 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.28 3.98 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 56 D 8.09 4.28 0.00 2.92 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 57 K 7.96 4.03 0.00 2.04 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.66 7.81 58 L 7.93 4.04 0.00 1.87 1.73 0.99 0.69 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 59 I 8.00 3.70 2.03 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 1.52 1.35 0.92 0.00 0.00 60 E 8.16 4.01 0.00 2.19 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 2.51 0.00 61 R 8.02 3.99 0.00 2.08 2.13 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 7.96 3.73 2.02 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 1.54 0.50 0.95 0.00 0.00 63 L 7.93 4.03 0.00 2.09 1.78 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.16 4.30 0.00 2.99 3.36 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 65 L 8.30 3.86 0.00 1.81 1.60 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.90 3.92 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 67 G 8.23 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 68 L 7.99 4.55 0.00 1.61 1.61 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.32 0.00 2.04 1.99 0.00 3.65 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 2.03 2.08 0.00 70 N 9.45 4.65 0.00 2.59 2.87 0.00 0.00 7.17 7.80 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 71 L 8.15 4.49 0.00 1.63 1.65 0.91 0.95 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 72 Q 8.50 4.06 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.13 4.53 0.00 2.69 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 74 L 8.31 4.55 0.00 1.51 1.51 0.88 1.05 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 75 G 8.39 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 0.00 0.00 0.00 76 K 8.37 4.21 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.52 7.81 77 L 8.38 4.12 0.00 1.64 1.55 0.88 0.97 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 78 L 9.01 4.52 0.00 1.63 1.66 1.02 0.72 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 79 I 8.20 4.39 1.89 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 1.35 0.81 0.92 0.00 0.00 80 G 8.61 4.02 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 0.00 0.00 0.00 81 E 8.53 4.59 0.00 2.12 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 2.22 2.29 0.00 82 N 7.63 4.97 0.00 2.91 2.87 0.00 0.00 6.23 7.22 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 83 T 8.69 4.52 4.46 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 1.50 0.00 0.00 84 Q 8.22 3.96 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 85 E 8.44 4.00 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 86 M 8.27 3.98 0.00 1.49 2.23 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.89 0.00 87 L 8.16 4.20 0.00 1.95 1.74 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.03 4.14 0.00 2.46 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 89 C 8.38 4.26 0.00 3.31 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 90 D 8.18 4.66 0.00 3.09 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 91 L 8.08 3.95 0.00 1.77 1.82 0.93 0.50 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 92 N 8.06 4.31 0.00 2.98 2.90 0.00 0.00 6.71 6.72 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 93 L 8.01 4.00 0.00 2.01 2.01 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.19 4.25 0.00 2.27 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 2.69 2.52 0.00 95 L 8.15 4.07 0.00 1.88 1.73 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.12 3.91 0.00 1.91 2.02 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.06 4.06 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 98 T 7.81 3.87 4.59 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 1.28 0.00 0.00 99 K 7.98 3.91 0.00 1.88 2.02 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.26 4.39 0.00 2.91 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 0.00 101 L 7.92 3.98 0.00 2.05 1.74 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.92 3.93 0.00 2.04 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 103 E 8.06 3.99 0.00 2.15 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 0.00 2.35 2.34 0.00 104 A 7.96 3.73 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 0.00 105 I 7.96 3.62 2.01 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 1.41 0.90 0.93 0.00 0.00 106 V 7.79 3.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.97 0.00 0.00 107 H 8.04 4.10 0.00 3.28 3.15 0.00 5.84 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 0.00 108 C 8.25 4.01 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.23 3.88 0.00 2.13 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 2.36 2.44 0.00 110 Q 7.76 4.00 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 111 V 7.07 3.90 1.95 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 0.63 0.00 0.00 0.83 0.00 0.00 112 H 7.39 3.22 0.00 3.19 3.22 0.00 5.67 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 0.00 113 D 7.43 4.51 0.00 2.63 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 0.00 114 Y 7.11 4.28 0.00 3.11 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 0.00 115 V 7.85 3.70 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.76 4.17 0.00 4.16 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 0.00 117 R 8.17 3.93 0.00 1.92 2.17 0.00 3.24 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 7.86 4.40 0.00 3.04 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 0.00 119 L 7.74 3.96 0.00 1.85 1.83 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.89 4.01 0.00 1.93 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.10 3.92 0.00 2.18 1.93 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 7.98 4.33 0.00 2.87 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 0.00 123 I 7.74 3.51 1.98 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 1.11 0.75 0.86 0.00 0.00 124 L 8.53 3.91 0.00 1.78 1.91 0.94 1.13 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 0.00 125 E 8.25 4.00 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 126 S 7.76 4.15 0.00 3.97 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 0.00 127 E 8.61 4.16 0.00 2.17 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 0.00 2.60 2.54 0.00 128 E 8.30 4.16 0.00 2.19 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 2.36 2.51 0.00 129 E 8.27 4.10 0.00 2.30 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 2.37 2.35 0.00 130 H 8.31 4.37 0.00 3.29 3.52 0.00 5.62 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 0.00 131 I 7.91 3.71 2.04 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 1.43 0.57 0.93 0.00 0.00 132 D 8.13 4.33 0.00 2.96 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 0.00 133 Y 8.03 4.13 0.00 3.19 3.22 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 0.00 134 L 8.04 3.64 0.00 2.04 1.63 1.05 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.45 3.96 0.00 2.04 1.97 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 2.30 2.50 0.00 136 T 7.52 3.98 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 1.19 0.00 0.00 137 Q 7.94 3.78 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.41 1.87 0.00 138 L 7.74 3.84 0.00 1.87 1.61 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.85 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 0.00 140 L 7.65 4.08 0.00 1.79 1.81 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.31 3.59 1.81 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.06 0.81 0.00 0.00 142 Q 7.52 4.01 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 143 K 7.68 4.27 0.00 1.75 1.85 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.71 7.81 144 V 8.23 4.24 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 0.72 0.00 0.00 1.06 0.00 0.00 145 G 8.09 3.99 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 0.00 0.00 0.00 146 L 8.53 4.00 0.00 1.75 1.68 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.10 4.06 0.00 2.06 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 2.40 2.39 0.00 148 N 8.10 4.34 0.00 3.06 2.89 0.00 0.00 6.78 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.84 3.97 0.00 2.97 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.11 4.04 0.00 1.77 1.72 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.13 3.92 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 152 S 7.86 4.48 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.86 4.62 0.00 3.00 3.02 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.70 4.19 0.00 1.82 1.80 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 2.80 2.42 0.00 155 H 7.45 5.04 0.00 3.11 3.17 0.00 5.72 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 0.00 156 E 8.58 4.13 0.00 1.95 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 2.30 2.30 0.00