NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4684 8.3049 120.3303 54.7040 33.4777 174.6366 2 E 3.8752 8.3344 119.4639 55.3280 30.0079 175.7165 3 A 4.0107 9.3335 126.3070 52.8876 19.6596 177.8194 4 L 3.9925 8.5155 122.2013 55.7870 42.0143 177.8318 5 G 3.8043 9.0238 105.3511 45.8087 0.0000 172.7771 6 A 4.5489 7.5028 116.3921 50.9222 22.0590 176.4200 7 D 4.7465 8.6815 121.4383 53.3912 42.5379 175.8726 8 V 4.6809 8.4145 122.4108 61.4634 34.4839 175.3004 9 T 4.4743 7.7105 124.2764 61.3586 69.0864 173.4354 10 Q 3.7516 8.4240 123.6726 56.1783 29.0688 177.9075 11 G 4.1755 8.7093 108.2659 45.8837 0.0000 172.5583 12 L 5.1031 8.1148 119.7774 52.8710 46.5338 175.1184 13 E 5.1482 9.1052 119.6289 53.9126 34.5495 175.2444 14 K 4.0611 8.3148 122.6049 58.2264 32.3212 176.9977 15 G 4.0385 8.9349 115.4118 45.0414 0.0000 173.8641 16 S 4.3518 8.1526 116.6771 58.5075 64.1779 173.1051 17 L 5.1645 8.4216 123.5186 53.2719 43.1175 175.6699 18 I 4.7229 8.8096 116.8600 59.1520 41.9335 174.3309 19 T 4.4173 8.7134 118.8899 63.2265 69.9620 174.4442 20 C 4.8098 8.5090 126.3673 57.6955 31.2404 173.8131 21 A 4.5343 8.6099 134.0165 49.5316 16.3120 174.4251 22 D 5.1933 7.6567 120.2175 52.7245 42.9687 176.4931 23 N 5.1307 8.4454 114.7761 52.9890 36.8349 176.5517 24 T 3.9285 8.5004 112.4076 64.3027 69.4195 175.1377 25 G 3.9641 8.2975 108.2677 45.0025 0.0000 172.4047 26 A 4.8364 7.4821 122.5112 50.5813 20.8175 176.6466 27 R 4.3270 8.9464 122.6577 57.8607 31.9217 176.1807 28 E 5.1259 8.0651 119.3542 54.2123 32.4959 174.2912 29 L 5.2186 8.8944 126.3959 52.7771 45.4770 175.0730 30 K 4.9384 8.9085 124.2456 54.4039 34.5978 175.4480 31 V 4.0299 8.8249 128.5630 63.3354 32.0078 176.1775 32 I 4.3858 8.5469 127.6982 62.6881 39.7909 175.7049 33 S 4.6514 7.7330 114.9861 57.4876 68.0563 173.7659 34 V 4.6092 8.2114 120.9038 61.1500 33.5530 174.0326 35 H 4.0226 9.2393 128.7518 57.4789 30.3465 174.2597 36 G 4.0596 8.3131 110.3631 46.2143 0.0000 171.6930 37 Y 4.6712 7.7470 119.1045 55.2097 40.2907 175.1667 38 S 4.4828 7.7466 120.8577 56.3273 66.5081 173.5961 39 G 3.9947 7.9210 116.5327 45.2126 0.0000 173.5603 40 T 4.5401 8.2283 117.4650 59.7927 70.3424 172.3341 41 K 3.9189 8.4549 125.3433 58.0729 32.4260 177.1720 42 N 4.4374 8.9015 120.7543 54.0446 37.6267 174.5102 43 R 4.0999 7.8558 118.8682 55.8213 30.6671 175.4780 44 H 4.4975 8.7389 123.2391 54.6208 29.4148 173.2480 45 P 4.6385 0.0000 0.0000 63.6692 31.6947 175.0609 46 K 5.0257 7.9912 122.8048 54.9855 34.9278 175.3119 47 A 4.7423 9.1484 123.5884 50.7750 23.2083 175.9351 48 G 4.1606 9.4458 107.2729 44.2903 0.0000 171.6488 49 L 3.9676 8.4710 119.5057 56.8756 41.8408 178.1649 50 G 4.0506 8.9526 111.1507 45.5415 0.0000 172.8162 51 D 4.9175 7.9332 119.9621 52.9831 43.1785 175.3437 52 K 4.8320 8.6388 123.4668 55.0777 33.8481 175.1072 53 I 4.9942 8.8415 121.0722 59.3409 41.1825 174.7152 54 T 4.7398 8.7169 120.6875 63.1686 70.1621 174.1044 55 V 5.1321 9.0777 124.3394 61.4513 36.2162 173.6422 56 S 5.0805 8.7271 117.1413 56.2724 66.5818 173.5819 57 V 4.2372 8.2950 122.7490 63.1923 31.4436 176.6400 58 T 4.0649 8.9645 126.4216 65.9261 69.0066 175.6652 59 K 4.5608 8.9613 119.1538 54.4633 36.2894 177.2814 60 G 3.9714 8.4054 108.9134 45.1087 0.0000 172.5525 61 T 4.0586 8.1739 112.1006 60.7628 69.9440 173.4927 62 P 4.2005 0.0000 0.0000 66.3153 31.1458 178.7061 63 E 4.0830 8.1162 115.0967 59.1423 29.4804 178.4198 64 M 4.2438 8.0920 118.0158 56.0855 32.9042 177.2555 65 R 4.0805 7.0003 117.2506 57.4027 30.7097 177.7796 66 R 3.9599 8.4568 117.8615 56.8217 29.3181 176.5926 67 Q 4.2212 7.6278 118.1662 55.4976 30.2005 175.4337 68 V 4.2170 8.3686 123.9270 62.1277 32.2662 174.2836 69 L 4.9305 8.6692 129.2406 52.8696 45.6627 174.8585 70 E 4.9818 8.4336 118.7093 55.2379 32.7399 174.6992 71 A 4.8647 8.6122 124.7770 51.0680 23.7953 175.0968 72 V 4.5874 8.1156 119.0433 60.6469 34.3739 174.9070 73 V 3.9663 8.5099 128.6655 63.6463 31.8161 176.1739 74 V 4.0958 9.0617 128.6705 63.9104 33.4164 175.4945 75 R 4.2624 7.4322 117.5222 54.7670 34.7378 173.9693 76 Q 4.9658 8.1571 118.3892 55.0219 31.8184 175.9686 77 R 4.3088 9.3550 120.1796 58.5180 30.4638 177.8834 78 K 4.1546 7.8835 118.1452 55.8004 32.6710 175.2522 79 P 4.9714 0.0000 0.0000 62.8316 33.0414 175.0859 80 I 4.8921 8.5767 114.1858 59.3623 41.4490 173.8621 81 R 4.9602 8.7219 125.4698 55.4104 31.6073 175.4972 82 R 4.7083 8.6390 125.2690 54.3429 31.8380 175.9186 83 P 4.1573 0.0000 0.0000 65.9536 31.4966 176.7994 84 D 4.6286 8.0874 115.1217 53.1212 39.2921 177.6145 85 G 3.9947 8.6540 108.8410 46.4044 0.0000 174.7324 86 T 4.2184 7.6328 116.6449 63.6437 69.7060 174.0460 87 R 5.0982 8.3735 122.3537 54.9885 32.8566 175.9667 88 V 4.5346 8.4996 120.5048 61.2370 34.9933 174.2221 89 K 5.0657 8.3649 125.2102 55.5001 35.6086 174.9899 90 F 4.7523 8.8015 119.5826 55.6102 42.0156 176.1848 91 E 4.1522 9.0777 119.7160 58.5524 29.7599 174.8466 92 D 4.7305 7.7164 115.4570 52.8962 42.4130 173.3953 93 N 5.2711 8.7655 114.7938 51.7963 41.2415 174.0162 94 A 5.2414 8.9085 124.2256 50.5421 23.3321 174.5130 95 A 5.0684 9.3090 120.6794 50.2216 23.7751 175.2701 96 V 4.5232 8.2592 118.4563 60.7083 34.5128 175.1694 97 I 4.3471 8.4566 128.9084 61.9373 38.1566 175.5086 98 V 4.9117 8.7358 125.2296 60.3525 35.1725 173.5964 99 D 5.2049 7.8462 119.1189 51.6249 41.6927 176.0439 100 E 3.8962 8.9055 116.9937 60.2371 29.4069 177.7531 101 N 4.5656 8.9525 113.2130 53.1765 38.7910 175.1479 102 E 3.7150 8.1846 116.9056 57.2208 27.0410 173.5406 103 D 5.0913 8.2362 118.3646 51.1042 40.8937 174.3538 104 P 4.5661 0.0000 0.0000 63.1783 31.4376 177.2832 105 R 4.0513 8.5107 123.4049 58.6821 30.2373 176.5472 106 G 4.0451 7.1239 104.3989 44.7292 0.0000 172.5354 107 T 4.4314 8.6257 113.6029 63.8588 70.4591 174.9277 108 E 4.7743 9.1521 120.0900 54.3585 33.7826 174.9592 109 L 4.9103 8.4850 123.2328 53.2743 43.1325 176.1086 110 K 4.1571 8.2190 124.6159 56.7381 32.9389 178.2306 111 G 3.8860 8.9376 111.9476 43.8917 0.0000 170.4210 112 P 4.9385 0.0000 0.0000 62.6721 32.7595 175.6859 113 I 4.7394 8.4536 119.2484 59.3557 41.9565 174.8782 114 A 4.8911 8.1525 127.1572 51.8229 19.1982 178.7792 115 R 3.8512 8.8225 119.4006 59.8569 29.1123 179.0860 116 E 3.8761 8.4360 118.9766 59.3366 29.3176 179.5664 117 V 3.4221 7.8562 117.5682 65.3703 31.3670 178.0125 118 A 3.9889 8.5327 121.2945 55.2522 18.1425 179.3452 119 Q 4.1096 7.2030 112.1908 57.4333 28.8642 177.3336 120 R 4.0442 7.9277 117.7339 57.0068 32.6504 175.9302 121 F 4.8897 7.6924 119.4034 54.6137 39.2761 175.9556 122 G 3.7173 8.4858 111.7022 47.9135 0.0000 172.5222 123 S 3.9679 8.1215 118.1667 60.0938 62.6076 176.7736 124 V 3.5845 7.8378 121.1244 65.6526 31.4426 177.6816 125 A 4.0792 8.1857 120.8938 55.1646 18.1993 179.7946 126 S 4.4274 8.8253 109.5975 59.1526 62.4874 174.8595 127 A 4.6893 7.5282 121.9279 51.7727 20.0461 176.9794 128 A 4.2913 8.3138 119.7181 52.3523 19.2470 178.0912 129 T 4.2299 8.4357 117.4345 65.7326 69.5590 175.0135 130 M 4.7946 7.8136 119.8628 53.4625 35.3560 174.4866 131 I 4.5057 8.3954 123.3957 59.5199 40.1706 175.6319 132 V 3.9498 8.5837 126.9217 62.9186 31.5317 175.6953 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 4.47 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 2 E 8.33 3.88 0.00 1.95 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 0.00 2.28 2.33 0.00 3 A 9.33 4.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.52 3.99 0.00 1.64 1.73 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.02 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 0.00 0.00 0.00 6 A 7.50 4.55 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.68 4.75 0.00 2.63 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 8 V 8.41 4.68 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 0.83 0.00 0.00 0.95 0.00 0.00 9 T 7.71 4.47 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 1.22 0.00 0.00 10 Q 8.42 3.75 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 11 G 8.71 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 0.00 0.00 0.00 0.00 12 L 8.11 5.10 0.00 1.66 1.48 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.11 5.15 0.00 1.83 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 0.00 2.22 2.23 0.00 14 K 8.31 4.06 0.00 1.74 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 15 G 8.93 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 0.00 0.00 0.00 0.00 16 S 8.15 4.35 0.00 3.81 3.78 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 0.00 0.00 0.00 17 L 8.42 5.16 0.00 1.51 1.58 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.81 4.72 2.01 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 1.31 0.89 0.89 0.00 0.00 19 T 8.71 4.42 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 20 C 8.51 4.81 0.00 2.97 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.61 4.53 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 22 D 7.66 5.19 0.00 2.67 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 23 N 8.45 5.13 0.00 2.71 2.91 0.00 0.00 5.98 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.50 3.93 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 1.26 0.00 0.00 25 G 8.30 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 0.00 0.00 0.00 26 A 7.48 4.84 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.95 4.33 0.00 1.77 1.96 0.00 3.07 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 28 E 8.07 5.13 0.00 2.00 1.84 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 2.25 2.28 0.00 29 L 8.89 5.22 0.00 1.57 1.48 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.91 4.94 0.00 1.75 1.74 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 31 V 8.82 4.03 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 0.89 0.00 0.00 0.95 0.00 0.00 32 I 8.55 4.39 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 0.91 0.00 0.00 33 S 7.73 4.65 0.00 3.75 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 34 V 8.21 4.61 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 0.95 0.00 0.00 0.84 0.00 0.00 35 H 9.24 4.02 0.00 3.25 3.34 0.00 6.15 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 36 G 8.31 4.06 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 0.00 0.00 0.00 37 Y 7.75 4.67 0.00 2.92 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 38 S 7.75 4.48 0.00 3.81 3.63 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 39 G 7.92 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 40 T 8.23 4.54 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 1.22 0.00 0.00 41 K 8.45 3.92 0.00 1.75 1.75 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 42 N 8.90 4.44 0.00 2.93 2.97 0.00 0.00 7.00 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 43 R 7.86 4.10 0.00 1.80 2.07 0.00 3.35 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 44 H 8.74 4.50 0.00 3.34 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.64 0.00 2.16 2.46 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 46 K 7.99 5.03 0.00 1.65 1.74 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.11 1.14 7.81 47 A 9.15 4.74 1.10 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 0.00 0.00 48 G 9.45 4.16 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 0.00 49 L 8.47 3.97 0.00 1.63 1.67 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.95 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 0.00 0.00 0.00 51 D 7.93 4.92 0.00 2.77 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 52 K 8.64 4.83 0.00 1.80 1.67 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.39 7.81 53 I 8.84 4.99 1.98 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 1.36 0.69 0.89 0.00 0.00 54 T 8.72 4.74 4.25 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 1.26 0.00 0.00 55 V 9.08 5.13 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 1.14 0.00 0.00 0.95 0.00 0.00 56 S 8.73 5.08 0.00 3.89 3.88 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 57 V 8.29 4.24 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 0.94 0.00 0.00 0.95 0.00 0.00 58 T 8.96 4.06 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 1.33 0.00 0.00 59 K 8.96 4.56 0.00 1.72 1.64 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.51 7.81 60 G 8.41 3.97 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 0.00 0.00 0.00 61 T 8.17 4.06 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 1.24 0.00 0.00 62 P 0.00 4.20 0.00 2.17 2.18 0.00 3.59 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 2.12 2.21 0.00 63 E 8.12 4.08 0.00 1.93 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 2.31 2.34 0.00 64 M 8.09 4.24 0.00 1.94 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 65 R 7.00 4.08 0.00 2.14 1.84 0.00 3.25 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 66 R 8.46 3.96 0.00 1.97 2.05 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 Q 7.63 4.22 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 68 V 8.37 4.22 2.07 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 0.78 0.00 0.00 0.92 0.00 0.00 69 L 8.67 4.93 0.00 1.57 1.53 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.43 4.98 0.00 1.98 1.69 0.00 0.00 0.00 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 2.24 0.00 71 A 8.61 4.86 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.12 4.59 1.83 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 0.97 0.00 0.00 -0.16 0.00 0.00 73 V 8.51 3.97 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 0.81 0.00 0.00 0.95 0.00 0.00 74 V 9.06 4.10 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 0.79 0.00 0.00 0.97 0.00 0.00 75 R 7.43 4.26 0.00 1.49 1.27 0.00 3.14 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 0.50 1.20 0.00 76 Q 8.16 4.97 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.68 0.00 77 R 9.36 4.31 0.00 1.82 2.06 0.00 3.15 0.00 0.00 3.03 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 78 K 7.88 4.15 0.00 1.76 1.74 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.56 7.81 79 P 0.00 4.97 0.00 2.12 1.96 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 80 I 8.58 4.89 2.04 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 1.41 0.92 0.99 0.00 0.00 81 R 8.72 4.96 0.00 1.94 1.84 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 82 R 8.64 4.71 0.00 1.91 1.82 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 83 P 0.00 4.16 0.00 2.03 2.15 0.00 3.67 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 2.04 2.12 0.00 84 D 8.09 4.63 0.00 2.78 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 85 G 8.65 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 86 T 7.63 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 1.19 0.00 0.00 87 R 8.37 5.10 0.00 1.67 1.83 0.00 3.32 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 88 V 8.50 4.53 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 0.73 0.00 0.00 0.88 0.00 0.00 89 K 8.36 5.07 0.00 1.98 1.70 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.40 7.81 90 F 8.80 4.75 0.00 3.23 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 91 E 9.08 4.15 0.00 1.97 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 2.31 2.26 0.00 92 D 7.72 4.73 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.77 5.27 0.00 2.62 2.71 0.00 0.00 6.48 7.62 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 94 A 8.91 5.24 1.17 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 0.00 0.00 95 A 9.31 5.07 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 0.00 0.00 0.00 0.00 0.00 96 V 8.26 4.52 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 1.00 0.00 0.00 0.93 0.00 0.00 97 I 8.46 4.35 1.83 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 1.24 0.57 0.90 0.00 0.00 98 V 8.74 4.91 1.90 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 0.56 0.00 0.00 0.84 0.00 0.00 99 D 7.85 5.20 0.00 2.89 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 0.00 100 E 8.91 3.90 0.00 1.97 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 2.31 2.33 0.00 101 N 8.95 4.57 0.00 2.94 2.86 0.00 0.00 7.15 8.26 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 0.00 102 E 8.18 3.72 0.00 2.18 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 2.18 2.28 0.00 103 D 8.24 5.09 0.00 2.86 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 0.00 104 P 0.00 4.57 0.00 2.19 2.19 0.00 3.70 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 2.07 1.97 0.00 105 R 8.51 4.05 0.00 1.79 1.98 0.00 3.22 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.12 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 0.00 0.00 0.00 107 T 8.63 4.43 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 108 E 9.15 4.77 0.00 1.81 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 2.21 2.25 0.00 109 L 8.49 4.91 0.00 1.52 1.60 0.97 0.96 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 0.00 110 K 8.22 4.16 0.00 1.63 1.74 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.39 7.81 111 G 8.94 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 0.00 0.00 0.00 112 P 0.00 4.94 0.00 2.27 2.16 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 113 I 8.45 4.74 1.89 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 1.13 0.80 0.91 0.00 0.00 114 A 8.15 4.89 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 0.00 115 R 8.82 3.85 0.00 2.11 2.25 0.00 2.82 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 116 E 8.44 3.88 0.00 2.10 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 0.00 2.43 2.64 0.00 117 V 7.86 3.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.98 0.00 0.00 118 A 8.53 3.99 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 0.00 119 Q 7.20 4.11 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.93 4.04 0.00 1.05 0.66 0.00 2.81 0.00 0.00 2.85 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.28 0.00 121 F 7.69 4.89 0.00 3.13 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 0.00 122 G 8.49 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.12 3.97 0.00 4.07 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 0.00 124 V 7.84 3.58 2.40 0.00 0.00 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 0.92 0.00 0.00 125 A 8.19 4.08 1.43 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 0.00 0.00 0.00 126 S 8.83 4.43 0.00 4.00 4.11 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 0.00 127 A 7.53 4.69 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 0.00 128 A 8.31 4.29 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 0.00 129 T 8.44 4.23 4.25 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 1.22 0.00 0.00 130 M 7.81 4.79 0.00 1.96 1.96 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 2.59 2.54 0.00 131 I 8.40 4.51 1.90 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 1.26 0.63 0.94 0.00 0.00 132 V 8.58 3.95 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 0.86 0.00 0.00 0.99 0.00 0.00