NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1717 8.1727 122.0476 56.2433 34.1639 174.1172 2 I 4.7167 8.0606 126.6346 58.6261 39.1770 174.3393 3 F 4.4673 9.9000 130.2425 57.7621 40.1884 174.6994 4 E 4.2521 8.9590 120.5533 55.3566 31.1883 176.4860 5 R 3.2942 8.9837 119.8735 61.0945 29.9023 179.2928 6 C 4.3392 8.0391 115.4992 59.8594 41.2207 176.0133 7 E 3.9095 8.1217 119.0124 59.2416 29.2379 178.9056 8 L 3.5584 7.9748 121.1195 57.5777 42.0415 178.5849 9 A 3.9438 7.8709 120.7334 55.4864 18.2655 179.9329 10 R 3.8842 8.0247 116.4011 59.5105 29.9655 179.4032 11 T 3.8712 7.8955 115.6620 66.6384 68.5095 176.7163 12 L 3.8521 8.2394 121.3255 57.4070 41.6225 179.4222 13 K 3.9070 8.1096 119.7191 59.7040 31.9714 179.1375 14 R 3.9917 8.1529 117.3135 58.8172 30.0012 178.0691 15 L 4.3610 7.2773 116.5134 54.4722 41.7572 177.3795 16 G 3.8998 7.8691 107.1580 46.2428 0.0000 174.8198 17 M 3.9531 7.8093 120.5479 56.4770 32.2572 175.6198 18 D 4.4108 8.0165 117.7962 55.8553 40.8288 175.6501 19 G 3.9413 9.4588 115.7101 45.3859 0.0000 171.1638 20 Y 4.2371 8.1967 121.6047 58.7710 39.0012 176.4899 21 R 3.6344 8.9753 127.1837 57.2975 27.7845 177.1372 22 G 3.8033 8.1796 102.5574 45.9178 0.0000 173.9060 23 I 4.0373 7.5577 122.0223 59.3433 37.8341 176.0228 24 S 4.6674 8.2842 120.8125 57.9381 64.9681 174.8869 25 L 4.2401 8.3473 122.9485 58.3728 41.8121 179.0673 26 A 4.1325 8.1362 120.3292 55.2903 18.3400 179.2506 27 N 4.4602 8.0528 115.2014 56.3525 38.5934 177.7433 28 W 4.3256 7.9347 120.2781 59.9515 29.0404 178.5799 29 M 4.1622 8.5266 118.9983 58.5828 31.4607 177.9512 30 C 3.2355 8.0684 118.6318 59.0291 43.6433 175.4187 31 L 4.0054 8.1372 121.7221 58.2996 41.7842 178.8810 32 A 4.2465 8.3045 122.1223 54.3067 18.2787 179.5306 33 K 2.8283 8.1783 118.2834 59.3455 32.0815 179.1679 34 W 4.3021 7.7847 117.2098 59.1231 29.0690 178.2956 35 E 4.3758 8.4270 118.9056 58.5979 29.2113 177.6880 36 S 4.5124 7.6658 108.0644 56.7397 64.8757 174.0219 37 G 3.4378 8.2649 108.8449 46.9468 0.0000 173.2719 38 Y 3.6256 7.6643 113.6704 58.8399 35.3436 168.8061 39 N 5.2668 7.7635 119.1339 51.8643 39.7854 175.4014 40 T 4.0533 8.8674 117.7694 64.2531 69.0315 175.9762 41 R 4.3522 8.2465 119.0688 55.8684 30.7692 176.3456 42 A 4.3371 7.7818 121.7815 52.6769 19.3542 176.9675 43 T 5.0360 8.2715 110.3566 60.3208 72.4285 173.0390 44 N 4.8622 8.6855 121.8200 52.5220 42.2131 172.3815 45 Y 4.6890 8.7604 127.9690 57.1452 40.8673 173.9183 46 N 4.7598 8.5217 124.8120 51.1067 38.5199 175.3252 47 A 3.6212 8.1355 127.2204 54.5200 19.0279 179.3524 48 G 3.7144 8.0509 104.5500 48.0886 0.0000 173.9852 49 D 4.7557 7.5758 116.3271 51.9940 40.0401 176.0475 50 R 3.8377 8.1242 116.0883 56.9282 28.2134 175.8381 51 S 4.9773 7.2296 108.8226 57.0344 66.5587 172.6505 52 T 5.1263 8.8544 115.5745 61.9931 72.9740 172.8744 53 D 5.4392 8.9952 125.4001 53.2419 43.0854 175.1027 54 Y 4.8377 9.2581 121.1331 57.3717 41.6135 177.6507 55 G 4.4937 8.7389 111.3088 45.7977 0.0000 173.6760 56 I 3.6492 8.1855 117.0805 63.3520 37.9648 177.9480 57 F 4.8553 7.8953 115.6584 56.3498 39.9680 175.0658 58 Q 3.6294 7.9158 119.1851 57.1058 26.7059 174.2462 59 I 4.3650 8.1538 118.7578 61.1949 39.2274 176.9320 60 N 5.3497 9.1920 125.9268 53.4439 40.2425 175.8945 61 S 4.6052 9.2970 120.3568 60.6973 63.9959 176.2644 62 R 3.5275 8.6054 121.8340 58.7364 30.3516 177.9658 63 Y 4.4506 7.5062 112.8441 57.6954 40.6158 177.3068 64 W 4.8937 8.1181 118.8510 57.6441 30.4486 173.6800 65 C 5.5682 7.8880 110.6466 53.5325 45.0190 171.8698 66 N 4.8505 8.9069 120.0247 52.2529 39.4432 174.9563 67 D 4.7988 8.6017 123.2724 52.2493 40.4023 177.2966 68 G 3.9909 8.4741 107.7349 46.0945 0.0000 174.4847 69 K 4.5504 8.0778 117.3636 56.4726 33.0569 175.6317 70 T 4.5287 7.7015 116.6769 61.3030 70.0035 172.0743 71 P 4.2711 0.0000 0.0000 64.1139 31.7171 176.1036 72 G 3.9612 8.8455 109.7349 46.2643 0.0000 173.1071 73 A 4.2932 7.4890 119.6284 51.6046 19.3431 177.8822 74 V 4.3180 8.3614 112.9209 59.2660 35.3758 176.0683 75 N 4.9548 8.0121 116.7830 52.0025 37.6472 174.5553 76 A 3.9588 9.1004 125.0402 54.8210 19.1007 178.4389 77 C 4.5697 8.5170 111.1231 57.1959 41.2325 173.0577 78 H 4.0619 7.8447 116.5658 56.5026 26.3241 174.1811 79 L 4.8078 8.2630 117.8107 52.8582 46.5597 176.7053 80 S 4.5893 8.3956 115.7060 58.0799 63.2242 176.0300 81 C 4.1057 8.7745 124.4306 59.7192 39.9707 176.3427 82 S 3.8832 7.8135 114.5455 61.3536 61.6385 176.0210 83 A 4.0252 7.7920 122.3728 54.4674 18.0017 177.9598 84 L 4.4300 7.8897 116.3821 55.1750 41.8024 177.6395 85 L 5.0118 7.9645 117.6750 54.5565 42.2715 176.6051 86 Q 4.4161 7.7938 117.5686 55.1642 29.7297 175.9280 87 D 4.4001 8.5561 120.3170 57.1880 41.1397 176.8331 88 N 4.5501 8.0316 118.2097 53.3069 39.2479 174.6478 89 I 4.2376 8.4639 118.7692 60.9476 37.9557 176.9745 90 A 3.9414 8.3507 124.6688 56.0917 18.1904 180.1072 91 D 4.2734 8.0982 116.3637 57.3795 40.8722 178.7550 92 A 4.1075 7.9712 120.9757 55.0997 18.4371 179.7240 93 V 3.3821 8.2460 117.0350 65.9392 31.6240 178.1242 94 A 3.8412 8.1432 120.7784 55.2273 18.1161 178.8659 95 C 4.2146 8.3905 116.7951 59.7572 39.6321 175.5860 96 A 3.9179 8.2810 122.8009 55.0721 17.6486 179.8244 97 K 3.8392 7.9076 117.1023 59.4447 31.8056 179.4668 98 R 3.9535 7.5428 117.9169 59.3474 30.2933 178.4003 99 V 2.6670 7.6134 118.0510 65.8328 30.9804 178.3100 100 V 3.8283 7.7718 110.8003 63.3018 31.2034 178.1825 101 R 4.1659 7.5786 117.3458 57.2643 30.4839 176.4422 102 D 4.7231 7.6209 119.6191 52.5706 41.8877 175.3026 103 P 4.2246 0.0000 0.0000 66.3910 30.9135 177.9343 104 Q 3.9953 8.1392 117.5958 56.2975 29.8957 177.3256 105 G 3.8701 7.8995 106.7992 46.6569 0.0000 175.6941 106 I 3.5312 7.7754 119.5206 63.5124 37.9538 178.0232 107 R 4.2147 7.1825 117.8014 57.7448 30.0081 177.3961 108 A 4.0607 7.6916 121.3818 54.4504 18.6021 177.8558 109 W 4.6175 8.0654 117.0550 55.6152 29.6191 177.5168 110 V 3.7400 8.7640 123.7990 66.0457 30.9149 177.6488 111 A 4.0157 8.2991 120.0481 54.6736 18.0995 179.3161 112 W 3.9707 8.4454 127.2703 60.7232 30.5963 178.4856 113 R 3.7683 8.2376 116.4759 59.3027 29.6369 178.3692 114 N 4.4140 8.2474 115.5778 55.4173 38.6785 176.1630 115 R 4.2396 7.7174 115.0041 55.6980 31.6303 175.4011 116 C 4.5251 7.3009 113.4740 57.6098 42.9367 174.7401 117 Q 3.0387 6.6910 120.5588 56.9528 28.7723 175.5998 118 N 4.1736 8.5978 122.2599 54.7394 36.1763 173.8432 119 R 4.5413 7.5914 113.6948 54.1569 33.9330 175.6669 120 D 4.5778 8.4816 119.3474 53.9083 40.2639 175.8839 121 V 4.5678 8.1572 118.7384 61.1595 32.4041 178.3405 122 R 4.0026 8.1666 122.5825 59.4344 29.8190 178.9128 123 Q 4.0228 8.2016 115.1441 59.2039 28.4089 178.5067 124 Y 3.9465 7.8767 115.8336 60.1770 38.1975 176.9051 125 V 4.3863 7.8679 110.7450 60.7385 32.8183 175.4662 126 Q 4.1688 7.5459 120.5168 57.2026 28.7653 176.8373 127 G 3.9275 8.9044 110.1759 46.2064 0.0000 174.5232 128 C 4.4558 8.0441 115.5543 56.4700 40.6764 174.2952 129 G 3.8668 8.1482 107.2317 46.5024 0.0000 174.1280 130 V 3.9905 7.8314 118.0912 61.0758 31.9187 175.8828 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 K 8.17 4.17 0.00 1.95 1.63 0.00 1.22 0.00 0.00 0.91 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 1.10 7.81 2 I 8.06 4.72 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.73 0.91 0.00 0.00 3 F 9.90 4.47 0.00 2.84 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 4 E 8.96 4.25 0.00 1.97 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 2.30 2.24 0.00 5 R 8.98 3.29 0.00 1.95 1.89 0.00 3.38 0.00 0.00 3.44 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 6 C 8.04 4.34 0.00 3.00 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 7 E 8.12 3.91 0.00 2.24 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 0.00 2.74 2.71 0.00 8 L 7.97 3.56 0.00 1.32 1.40 -0.24 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.87 3.94 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 10 R 8.02 3.88 0.00 1.88 1.98 0.00 3.14 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 11 T 7.90 3.87 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 1.22 0.00 0.00 12 L 8.24 3.85 0.00 1.72 1.57 0.90 0.39 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 13 K 8.11 3.91 0.00 1.91 1.93 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 8.15 3.99 0.00 1.92 1.97 0.00 3.20 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 15 L 7.28 4.36 0.00 1.58 1.57 0.88 0.88 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 16 G 7.87 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 17 M 7.81 3.95 0.00 1.36 1.97 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.21 0.00 18 D 8.02 4.41 0.00 2.67 2.68 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 0.00 0.00 0.00 19 G 9.46 3.94 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 0.00 0.00 0.00 20 Y 8.20 4.24 0.00 3.39 3.21 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 21 R 8.98 3.63 0.00 1.82 1.80 0.00 3.34 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 22 G 8.18 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 23 I 7.56 4.04 1.76 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.62 -0.31 0.00 0.00 24 S 8.28 4.67 0.00 4.10 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 25 L 8.35 4.24 0.00 2.17 1.81 0.99 1.19 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 26 A 8.14 4.13 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 27 N 8.05 4.46 0.00 2.73 2.72 0.00 0.00 6.98 7.53 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 28 W 7.93 4.33 0.00 3.49 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 29 M 8.53 4.16 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.93 0.00 30 C 8.07 3.24 0.00 2.59 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 31 L 8.14 4.01 0.00 1.93 1.91 0.71 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.30 4.25 1.47 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 33 K 8.18 2.83 0.00 1.64 1.63 0.00 0.61 0.00 0.00 0.87 0.00 0.00 2.73 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.17 0.45 7.81 34 W 7.78 4.30 0.00 3.46 3.25 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 35 E 8.43 4.38 0.00 2.03 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 0.00 2.58 2.55 0.00 36 S 7.67 4.51 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.26 3.44 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 0.00 38 Y 7.66 3.63 0.00 3.27 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 39 N 7.76 5.27 0.00 2.85 2.81 0.00 0.00 7.01 6.69 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 40 T 8.87 4.05 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 41 R 8.25 4.35 0.00 2.00 2.03 0.00 3.18 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 42 A 7.78 4.34 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 43 T 8.27 5.04 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 1.24 0.00 0.00 44 N 8.69 4.86 0.00 2.87 2.86 0.00 0.00 6.86 7.24 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 45 Y 8.76 4.69 0.00 2.98 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.52 4.76 0.00 2.61 2.59 0.00 0.00 6.61 7.38 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 47 A 8.14 3.62 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 48 G 8.05 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.58 4.76 0.00 2.74 2.79 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 50 R 8.12 3.84 0.00 2.03 2.18 0.00 3.11 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 51 S 7.23 4.98 0.00 3.86 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 52 T 8.85 5.13 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 0.70 0.00 0.00 53 D 9.00 5.44 0.00 2.70 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 54 Y 9.26 4.84 0.00 2.91 2.91 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 55 G 8.74 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.19 3.65 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.20 0.01 0.00 0.00 57 F 7.90 4.86 0.00 3.21 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 58 Q 7.92 3.63 0.00 2.54 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 59 I 8.15 4.36 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.99 1.13 0.00 0.00 60 N 9.19 5.35 0.00 3.09 3.03 0.00 0.00 6.98 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 61 S 9.30 4.61 0.00 4.10 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.61 3.53 0.00 1.61 1.36 0.00 2.61 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 63 Y 7.51 4.45 0.00 1.70 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 0.00 0.00 0.00 64 W 8.12 4.89 0.00 3.67 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 65 C 7.89 5.57 0.00 3.16 3.20 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 66 N 8.91 4.85 0.00 2.79 2.71 0.00 0.00 7.03 9.26 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 67 D 8.60 4.80 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.47 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 69 K 8.08 4.55 0.00 1.81 1.87 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.45 7.81 70 T 7.70 4.53 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 71 P 0.00 4.27 0.00 2.01 2.00 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 72 G 8.85 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 73 A 7.49 4.29 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 74 V 8.36 4.32 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 0.63 0.00 0.00 0.90 0.00 0.00 75 N 8.01 4.95 0.00 2.75 2.58 0.00 0.00 6.77 8.02 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 76 A 9.10 3.96 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 77 C 8.52 4.57 0.00 3.31 3.24 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 78 H 7.84 4.06 0.00 3.30 3.35 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 79 L 8.26 4.81 0.00 1.69 1.50 1.00 0.59 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 80 S 8.40 4.59 0.00 3.83 3.69 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 0.00 0.00 0.00 81 C 8.77 4.11 0.00 2.19 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 82 S 7.81 3.88 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.79 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 84 L 7.89 4.43 0.00 1.93 1.82 1.08 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.96 5.01 0.00 1.78 1.71 1.13 1.41 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 86 Q 7.79 4.42 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 87 D 8.56 4.40 0.00 2.62 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 88 N 8.03 4.55 0.00 2.69 2.75 0.00 0.00 6.95 7.94 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 89 I 8.46 4.24 1.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.94 0.98 0.00 0.00 90 A 8.35 3.94 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 91 D 8.10 4.27 0.00 2.75 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 92 A 7.97 4.11 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 93 V 8.25 3.38 2.19 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 0.71 0.00 0.00 0.85 0.00 0.00 94 A 8.14 3.84 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 95 C 8.39 4.21 0.00 3.16 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 96 A 8.28 3.92 0.71 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.91 3.84 0.00 1.72 1.44 0.00 1.25 0.00 0.00 0.64 0.00 0.00 2.25 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.96 7.81 98 R 7.54 3.95 0.00 1.87 2.22 0.00 3.47 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 99 V 7.61 2.67 1.77 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 -0.31 0.00 0.00 -0.63 0.00 0.00 100 V 7.77 3.83 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 1.21 0.00 0.00 1.45 0.00 0.00 101 R 7.58 4.17 0.00 1.98 2.05 0.00 3.24 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.15 0.00 102 D 7.62 4.72 0.00 3.06 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 0.00 103 P 0.00 4.22 0.00 2.15 2.20 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 104 Q 8.14 4.00 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.79 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.90 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 0.00 106 I 7.78 3.53 0.98 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.75 0.00 0.00 107 R 7.18 4.21 0.00 2.01 2.03 0.00 3.22 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.51 0.00 108 A 7.69 4.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.07 4.62 0.00 3.57 3.29 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 0.00 110 V 8.76 3.74 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.00 0.00 0.00 111 A 8.30 4.02 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 0.00 112 W 8.45 3.97 0.00 3.49 3.48 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 0.00 0.00 0.00 0.00 113 R 8.24 3.77 0.00 1.98 2.01 0.00 3.34 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.14 0.00 114 N 8.25 4.41 0.00 2.67 2.71 0.00 0.00 6.85 8.19 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 0.00 115 R 7.72 4.24 0.00 1.01 0.77 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.20 0.00 116 C 7.30 4.53 0.00 1.51 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 0.00 117 Q 6.69 3.04 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 118 N 8.60 4.17 0.00 2.79 2.82 0.00 0.00 6.88 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 0.00 119 R 7.59 4.54 0.00 1.78 1.77 0.00 3.28 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 120 D 8.48 4.58 0.00 2.64 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 0.00 121 V 8.16 4.57 2.38 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 0.82 0.00 0.00 1.05 0.00 0.00 122 R 8.17 4.00 0.00 1.96 2.02 0.00 3.17 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 123 Q 8.20 4.02 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.91 0.00 0.00 0.00 0.00 0.00 2.21 1.66 0.00 124 Y 7.88 3.95 0.00 3.27 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 0.00 125 V 7.87 4.39 2.14 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 0.97 0.00 0.00 1.05 0.00 0.00 126 Q 7.55 4.17 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 127 G 8.90 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 0.00 0.00 0.00 128 C 8.04 4.46 0.00 3.06 3.14 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 0.00 129 G 8.15 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 0.00 130 V 7.83 3.99 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 0.78 0.00 0.00 0.96 0.00 0.00