NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4675 8.3049 120.3298 54.8080 33.4881 174.5220 2 E 3.8934 8.3236 119.0221 55.4005 30.0140 175.6441 3 A 4.0387 9.2620 126.6208 52.4950 19.7440 177.7565 4 L 3.9763 8.5186 123.3174 55.9649 41.9404 177.6461 5 G 3.7374 8.9074 105.0994 45.9926 0.0000 172.7259 6 A 4.4777 7.4671 116.6753 51.1398 21.9671 176.3491 7 D 4.7715 8.5449 121.0773 53.0913 42.6321 175.7762 8 V 4.5686 8.4235 123.2245 61.4671 33.9624 175.3251 9 T 4.4301 7.8156 122.4744 61.6908 68.5754 174.0158 10 Q 3.8737 8.6001 124.4023 56.5196 29.1303 177.5884 11 G 4.1584 8.8163 108.7312 45.8676 0.0000 172.5128 12 L 5.1133 8.2504 119.8913 52.8120 46.1370 175.3385 13 E 5.1586 9.1707 119.6952 53.9074 34.2282 175.3254 14 K 3.8521 8.4676 122.8153 58.6076 32.4716 177.3658 15 G 3.9803 9.1653 114.6426 45.1065 0.0000 173.7626 16 S 4.3409 8.2068 117.2550 58.4051 64.1756 173.2302 17 L 5.0477 8.4592 124.3780 53.5360 42.7135 175.6653 18 I 4.6989 8.7477 117.3349 59.0571 41.7769 174.3433 19 T 4.4380 8.4800 118.5000 63.2828 69.8640 174.4853 20 C 4.6653 8.7007 126.8278 57.8470 31.1263 173.4555 21 A 4.4917 8.4561 131.2749 49.2483 15.6927 174.8537 22 D 5.0496 7.5033 119.9113 52.8214 42.6880 176.7056 23 N 5.0404 8.5496 114.7396 52.7416 37.6320 175.9925 24 T 3.9528 8.7023 111.2888 64.1312 69.5518 175.3104 25 G 3.9403 8.3309 108.3745 45.0232 0.0000 172.4687 26 A 4.7656 7.5588 123.3452 50.8445 20.2819 176.8622 27 R 4.2868 8.9852 123.1545 58.2279 31.6494 176.0408 28 E 5.0371 8.0452 119.3502 54.2718 32.3428 173.9575 29 L 5.1370 8.9336 126.4618 52.7597 45.3537 175.1603 30 K 4.8924 8.9805 124.8634 54.3551 34.3735 175.4789 31 V 3.9881 8.6940 128.7572 63.4410 32.0129 176.1937 32 I 4.3817 8.4955 127.6451 62.7987 39.7681 175.7890 33 S 4.6514 7.7183 114.7294 57.5995 67.3608 173.7396 34 V 4.6074 8.1194 121.2568 61.0057 33.6594 174.5867 35 H 4.0964 9.3844 128.7213 57.6509 30.1994 174.6156 36 G 3.9949 8.4691 112.5405 46.3328 0.0000 172.0614 37 Y 4.7799 7.5875 118.7929 55.2873 40.7668 175.3403 38 S 4.4158 7.2675 119.6241 56.6016 66.7792 172.5068 39 G 4.1967 7.8228 119.4165 44.4579 0.0000 175.7070 40 T 4.2329 8.5422 116.8403 60.1927 69.6385 171.5242 41 K 3.9351 8.5655 125.7993 58.1600 32.2363 176.7478 42 N 4.4654 8.9599 121.7276 53.5404 37.0732 174.1816 43 R 4.1723 8.1487 119.6798 55.5525 30.7090 175.4855 44 H 4.4711 8.7401 123.3959 54.7012 29.3339 173.3020 45 P 4.5823 0.0000 0.0000 63.5369 31.7042 175.2753 46 K 5.0484 8.0607 122.6418 55.1252 35.1864 175.1647 47 A 4.7069 9.3250 123.2107 50.9961 23.3948 175.9578 48 G 4.2666 9.0741 106.7577 44.3500 0.0000 171.9789 49 L 4.1450 8.4690 119.5736 56.8417 41.8397 178.2965 50 G 4.0960 8.8793 111.4864 45.3269 0.0000 173.1718 51 D 4.8193 7.8781 120.0463 53.4766 42.9655 175.3760 52 K 4.7627 8.6605 123.5243 55.1774 33.7532 175.2370 53 I 4.9532 8.3386 120.6160 59.4260 41.2853 174.4076 54 T 4.8476 8.8196 119.7741 62.5690 70.5591 174.2694 55 V 5.1408 9.2000 124.4637 61.4425 36.1995 173.6838 56 S 5.1656 8.7836 116.8206 56.3675 66.7730 173.1693 57 V 4.3255 8.1747 122.2550 62.9919 31.8122 176.4766 58 T 4.2659 8.7520 125.1372 64.9613 69.6538 175.5904 59 K 4.5292 8.5891 118.9227 54.8714 36.4943 177.1728 60 G 3.4974 8.7170 109.1286 44.5035 0.0000 172.6844 61 T 3.9462 8.3128 111.7870 61.1848 68.9412 173.4149 62 P 4.1438 0.0000 0.0000 66.1354 31.1583 178.4107 63 E 4.2180 8.0755 115.6230 59.1118 29.5515 178.3880 64 M 4.2265 8.4238 118.1056 56.2763 32.8268 177.3098 65 R 3.9277 6.8776 118.4284 57.5459 30.7156 178.0375 66 R 3.9972 8.4186 117.9517 56.7668 29.2372 176.7144 67 Q 4.1874 7.5987 118.4411 55.5955 30.1030 175.4451 68 V 4.4026 8.3609 123.9974 62.1141 32.2685 174.2877 69 L 4.9588 8.6237 128.5818 52.8897 45.9918 174.8754 70 E 5.1297 8.5075 118.6583 55.2663 33.0387 174.7321 71 A 4.9021 8.4885 124.8385 51.2121 23.6783 174.8383 72 V 4.5943 8.1087 116.5858 61.0969 35.2725 174.9503 73 V 4.1029 8.5162 128.0782 63.2682 31.7861 176.1699 74 V 4.0245 8.9424 129.4443 64.3191 33.1609 175.6926 75 R 4.1424 7.4331 117.4970 54.6532 34.7000 174.0448 76 Q 5.0376 7.9697 118.4212 54.9668 31.6700 175.9715 77 R 4.3361 9.0210 119.8036 58.3501 30.4848 177.4754 78 K 4.2959 7.8472 118.8787 55.2028 33.0485 175.2799 79 P 4.8838 0.0000 0.0000 63.0127 32.8110 175.1044 80 I 4.9106 8.4666 114.3332 59.2275 41.6727 173.8568 81 R 5.0411 8.8962 124.4139 54.9459 31.9220 175.5554 82 R 4.6098 8.9107 125.7398 54.6860 31.6447 176.0886 83 P 4.1946 0.0000 0.0000 65.9872 31.4870 176.9112 84 D 4.6180 8.0507 114.7265 53.2295 39.3899 176.8988 85 G 4.0526 8.5962 110.4704 46.0249 0.0000 174.7610 86 T 4.1062 7.7482 115.8068 63.8558 69.5466 173.8881 87 R 5.0918 8.4075 122.6937 54.8683 33.0414 175.9407 88 V 4.4834 8.5962 120.9442 61.1563 34.7511 174.3276 89 K 5.0387 8.4566 125.6784 55.3206 35.8028 175.1838 90 F 4.6723 8.9462 119.8844 55.6160 41.7993 176.5533 91 E 4.0152 9.0239 120.3962 58.8796 29.6879 175.1151 92 D 4.8447 7.7729 115.4302 52.2974 43.0687 173.6652 93 N 5.2657 8.7117 114.5206 51.8212 41.2022 174.0731 94 A 5.2355 9.2520 124.1722 50.6595 23.4002 174.5824 95 A 5.0890 9.0897 120.7987 50.4137 23.9501 175.1875 96 V 4.5478 8.5810 118.9047 60.6967 34.4882 175.0995 97 I 4.2400 8.3243 129.4006 62.0927 37.9676 175.5358 98 V 4.7829 8.7645 125.6072 60.1096 34.9333 174.5643 99 D 4.9833 7.9246 120.8203 51.4508 41.8813 176.3462 100 E 3.8895 8.8657 117.3751 60.0538 29.2944 178.0606 101 N 4.5585 9.0540 113.4568 53.2982 38.9362 175.2821 102 E 3.8073 8.4425 117.3077 57.0533 27.2385 173.5442 103 D 5.1086 8.2678 118.3383 51.0493 41.1617 174.3432 104 P 4.3961 0.0000 0.0000 63.2695 31.3979 177.3506 105 R 3.9829 8.4917 122.6486 58.5036 30.1817 176.6108 106 G 4.0211 7.1412 106.5260 44.6062 0.0000 173.1817 107 T 4.3209 8.4848 114.3000 64.4003 69.7526 175.4665 108 E 4.7965 8.9231 119.9868 54.3525 33.7241 175.0444 109 L 4.9769 8.4688 122.8683 53.1990 43.2828 176.0725 110 K 4.2063 8.6228 124.1244 56.5390 33.0574 178.1547 111 G 4.0342 8.9573 110.0402 44.2831 0.0000 170.7333 112 P 4.8728 0.0000 0.0000 62.9471 32.4295 175.4847 113 I 4.7705 8.3150 119.2316 59.4836 42.1636 174.6675 114 A 4.6856 8.1859 125.8617 51.5769 19.2330 178.9464 115 R 3.8893 8.9999 119.0785 59.7388 28.8577 178.9344 116 E 3.9148 8.3610 118.6351 59.3734 29.3364 179.3928 117 V 3.6332 7.8868 117.6531 65.6016 31.4498 177.8932 118 A 4.0088 8.2001 121.1152 55.2830 18.1264 179.3498 119 Q 4.0965 7.3605 111.8498 57.6103 28.8225 177.5975 120 R 4.1091 7.8101 117.3473 56.6697 33.0829 175.7077 121 F 4.9615 7.8143 117.0550 54.1479 38.9526 175.2476 122 G 3.8310 8.2249 110.7139 48.2375 0.0000 172.0141 123 S 4.2339 8.1451 117.6835 60.0465 62.5760 176.9191 124 V 3.5964 7.7436 121.0234 65.6438 31.3669 177.7562 125 A 4.0524 8.2209 120.9322 55.1246 18.1993 179.5864 126 S 4.3849 8.7854 109.2401 59.4709 62.5111 174.9006 127 A 4.6817 7.5101 122.7148 51.8044 19.9250 176.8353 128 A 4.2778 8.3638 120.0187 52.2793 19.2935 178.2671 129 T 4.1844 8.5556 118.5274 66.0616 69.2060 175.2677 130 M 4.8689 7.8362 119.8059 53.4054 35.8954 174.5266 131 I 4.7512 8.4270 123.1647 59.5729 40.0309 175.6312 132 V 3.9700 8.6744 126.8913 62.9345 30.9950 175.6681 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 1.98 2.11 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 2 E 8.32 3.89 0.00 1.94 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 2.28 2.33 0.00 3 A 9.26 4.04 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 3.98 0.00 1.64 1.74 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.47 4.48 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 7 D 8.54 4.77 0.00 2.62 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 8 V 8.42 4.57 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 7.82 4.43 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 8.60 3.87 0.00 1.87 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 11 G 8.82 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 12 L 8.25 5.11 0.00 1.65 1.48 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.17 5.16 0.00 1.82 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 2.22 2.23 0.00 14 K 8.47 3.85 0.00 1.70 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.55 7.81 15 G 9.17 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 16 S 8.21 4.34 0.00 3.75 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 8.46 5.05 0.00 1.51 1.60 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.75 4.70 2.02 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 1.29 0.89 0.00 0.00 19 T 8.48 4.44 4.32 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 1.20 0.00 0.00 20 C 8.70 4.67 0.00 2.98 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 21 A 8.46 4.49 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 22 D 7.50 5.05 0.00 2.66 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 23 N 8.55 5.04 0.00 2.81 2.90 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 8.70 3.95 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 1.28 0.00 0.00 25 G 8.33 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 26 A 7.56 4.77 1.21 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 0.00 0.00 27 R 8.99 4.29 0.00 1.75 1.96 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 28 E 8.05 5.04 0.00 2.01 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 2.26 2.44 0.00 29 L 8.93 5.14 0.00 1.55 1.48 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.98 4.89 0.00 1.74 1.76 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 8.69 3.99 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 0.85 0.00 0.00 0.96 0.00 0.00 32 I 8.50 4.38 1.98 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 0.96 0.91 0.00 0.00 33 S 7.72 4.65 0.00 3.75 3.73 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 34 V 8.12 4.61 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 0.94 0.00 0.00 0.85 0.00 0.00 35 H 9.38 4.10 0.00 3.16 3.32 0.00 6.15 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.47 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 37 Y 7.59 4.78 0.00 2.90 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 38 S 7.27 4.42 0.00 3.79 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 39 G 7.82 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 0.00 0.00 0.00 40 T 8.54 4.23 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 1.23 0.00 0.00 41 K 8.57 3.94 0.00 1.75 1.76 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 42 N 8.96 4.47 0.00 2.94 3.00 0.00 0.00 7.08 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 8.15 4.17 0.00 1.76 2.06 0.00 3.37 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 1.76 1.66 0.00 44 H 8.74 4.47 0.00 3.33 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.58 0.00 2.14 2.45 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 46 K 8.06 5.05 0.00 1.71 1.75 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.09 1.15 7.81 47 A 9.33 4.71 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 9.07 4.27 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 0.00 0.00 0.00 49 L 8.47 4.15 0.00 1.62 1.66 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.88 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.88 4.82 0.00 2.78 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 8.66 4.76 0.00 1.80 1.67 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.49 7.81 53 I 8.34 4.95 1.96 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 1.17 0.64 0.88 0.00 0.00 54 T 8.82 4.85 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 1.26 0.00 0.00 55 V 9.20 5.14 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 1.07 0.00 0.00 0.90 0.00 0.00 56 S 8.78 5.17 0.00 3.88 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 57 V 8.17 4.33 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 0.96 0.00 0.00 0.94 0.00 0.00 58 T 8.75 4.27 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 1.28 0.00 0.00 59 K 8.59 4.53 0.00 1.73 1.63 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.72 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.31 3.95 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 4.14 0.00 2.17 2.17 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 2.22 0.00 63 E 8.08 4.22 0.00 1.93 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 2.31 2.33 0.00 64 M 8.42 4.23 0.00 1.93 2.19 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 2.59 2.70 0.00 65 R 6.88 3.93 0.00 2.18 1.85 0.00 3.24 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 1.64 1.61 0.00 66 R 8.42 4.00 0.00 1.98 2.07 0.00 3.15 0.00 0.00 3.22 7.27 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 7.60 4.19 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.36 4.40 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 8.62 4.96 0.00 1.58 1.52 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.51 5.13 0.00 1.98 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 2.19 2.24 0.00 71 A 8.49 4.90 1.15 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 0.00 0.00 72 V 8.11 4.59 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 0.91 0.00 0.00 -0.14 0.00 0.00 73 V 8.52 4.10 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 0.81 0.00 0.00 0.94 0.00 0.00 74 V 8.94 4.02 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 0.80 0.00 0.00 0.95 0.00 0.00 75 R 7.43 4.14 0.00 1.49 1.21 0.00 3.18 0.00 0.00 3.59 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.29 0.00 76 Q 7.97 5.04 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.67 0.00 77 R 9.02 4.34 0.00 1.87 2.07 0.00 3.14 0.00 0.00 3.03 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 78 K 7.85 4.30 0.00 1.77 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.88 0.00 2.13 1.97 0.00 3.61 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.47 4.91 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 0.99 0.00 0.00 81 R 8.90 5.04 0.00 1.88 1.83 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 82 R 8.91 4.61 0.00 1.80 1.82 0.00 3.22 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 83 P 0.00 4.19 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 84 D 8.05 4.62 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 8.60 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 86 T 7.75 4.11 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 1.19 0.00 0.00 87 R 8.41 5.09 0.00 1.67 1.83 0.00 3.32 0.00 0.00 3.15 7.22 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 8.60 4.48 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 0.74 0.00 0.00 0.90 0.00 0.00 89 K 8.46 5.04 0.00 1.94 1.72 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.38 7.81 90 F 8.95 4.67 0.00 3.31 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 9.02 4.02 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 7.77 4.84 0.00 2.67 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 93 N 8.71 5.27 0.00 2.62 2.71 0.00 0.00 6.49 7.27 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 94 A 9.25 5.24 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 95 A 9.09 5.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.58 4.55 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 0.99 0.00 0.00 0.94 0.00 0.00 97 I 8.32 4.24 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 0.76 0.91 0.00 0.00 98 V 8.76 4.78 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 0.58 0.00 0.00 0.79 0.00 0.00 99 D 7.92 4.98 0.00 2.87 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 0.00 100 E 8.87 3.89 0.00 1.97 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 0.00 2.31 2.35 0.00 101 N 9.05 4.56 0.00 2.95 2.86 0.00 0.00 7.18 7.42 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 0.00 102 E 8.44 3.81 0.00 2.17 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 2.17 2.28 0.00 103 D 8.27 5.11 0.00 2.88 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 4.40 0.00 2.19 2.19 0.00 3.69 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 8.49 3.98 0.00 1.80 1.98 0.00 3.22 0.00 0.00 3.21 7.37 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 7.14 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 0.00 107 T 8.48 4.32 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 8.92 4.80 0.00 1.83 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 8.47 4.98 0.00 1.52 1.59 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.62 4.21 0.00 1.63 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.44 7.81 111 G 8.96 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 0.00 0.00 0.00 112 P 0.00 4.87 0.00 2.26 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 2.11 0.00 113 I 8.31 4.77 1.90 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 1.14 0.68 0.92 0.00 0.00 114 A 8.19 4.69 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 0.00 115 R 9.00 3.89 0.00 2.07 2.25 0.00 3.01 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 116 E 8.36 3.91 0.00 2.10 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 2.42 2.62 0.00 117 V 7.89 3.63 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 1.29 0.00 0.00 0.98 0.00 0.00 118 A 8.20 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.36 4.10 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 120 R 7.81 4.11 0.00 1.06 0.66 0.00 2.82 0.00 0.00 2.84 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.27 0.00 121 F 7.81 4.96 0.00 3.13 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 0.00 122 G 8.22 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 0.00 0.00 0.00 123 S 8.15 4.23 0.00 4.07 4.19 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 0.00 124 V 7.74 3.60 2.39 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 1.05 0.00 0.00 0.92 0.00 0.00 125 A 8.22 4.05 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.79 4.38 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.51 4.68 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 8.36 4.28 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 0.00 129 T 8.56 4.18 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 7.84 4.87 0.00 1.95 1.94 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 8.43 4.75 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 0.95 0.00 0.00 132 V 8.67 3.97 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 0.67 0.00 0.00 0.98 0.00 0.00