NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3210 8.3144 120.1353 56.2889 33.5316 174.4848 2 E 4.4951 8.2720 120.3929 51.6682 32.6346 174.5574 3 S 4.3317 8.9128 122.9275 58.1774 66.1766 174.7869 4 A 3.9995 8.6411 125.2112 55.2300 18.1016 180.1170 5 A 3.9213 7.9859 118.6422 55.4265 18.5444 179.5797 6 A 4.0062 7.8746 118.9342 55.1148 18.3461 179.7135 7 K 3.8671 8.3443 118.3655 59.4942 32.2412 178.8102 8 F 4.0655 8.3154 120.9363 61.3129 39.3899 176.8764 9 E 3.9519 8.1701 117.7946 59.5637 29.0987 179.3703 10 R 3.8546 7.9455 117.3405 59.4715 30.1963 178.0480 11 Q 4.0958 8.0158 116.5889 57.5102 29.0506 176.2491 12 H 4.6601 8.1908 113.2095 55.0274 30.4923 172.8209 13 M 4.6011 7.8290 120.0768 53.7238 33.8634 176.5451 14 D 4.7025 8.1316 122.2281 53.2361 40.9541 174.3106 15 S 4.4195 7.8975 119.3636 58.3434 64.4611 174.7474 16 G 4.1274 8.8780 107.8039 46.0368 0.0000 173.1608 17 N 4.8081 7.6917 117.1992 52.0008 42.2873 173.6206 18 S 4.8198 8.4823 119.9816 55.6835 65.1629 173.1423 19 P 4.3540 0.0000 0.0000 65.6162 31.2971 176.8462 20 S 4.4470 7.7849 111.5784 58.8551 63.5718 174.3388 21 S 4.5665 7.6039 115.1799 57.2434 63.8068 174.3679 22 S 4.2647 8.6003 125.2193 61.3877 62.3794 176.4012 23 S 4.3480 7.4935 116.4219 60.4799 62.9757 175.0662 24 N 4.5924 8.2496 119.3051 54.6740 38.7997 175.5000 25 Y 4.0780 7.5561 120.1375 62.0411 38.7059 177.3476 26 C 4.0956 8.5990 116.7131 60.2781 39.6673 176.0815 27 N 4.4150 8.2171 117.2552 56.4933 38.1692 177.3430 28 L 4.0091 7.7829 120.0497 57.8135 41.7238 179.4863 29 M 3.6975 8.0160 119.0634 58.4706 31.7252 178.6273 30 M 4.1140 8.3417 119.2729 58.4026 31.9812 178.5405 31 C 4.1475 7.6624 119.1272 62.0090 31.6312 175.0066 32 C 3.9703 8.0924 119.7278 62.6184 31.1363 174.4225 33 R 4.2712 8.3547 115.7426 55.6833 29.5378 176.2921 34 K 3.9263 7.7489 116.1881 58.4488 30.1331 175.6893 35 M 4.7858 8.3129 114.9956 55.4717 32.6163 177.4517 36 T 4.9536 7.7794 104.6793 60.1953 70.0489 172.2877 37 Q 4.6264 8.3855 121.1413 56.2775 30.0187 173.8869 38 G 4.1985 10.6743 112.8231 45.2433 0.0000 173.1747 39 K 3.2867 6.6371 114.8585 55.5764 34.5321 174.5614 40 C 4.4952 8.6273 118.3189 56.1204 40.6954 173.7773 41 K 4.2221 8.5287 127.0174 55.5943 32.5390 174.5970 42 P 4.7134 0.0000 0.0000 65.6184 32.0411 176.2945 43 V 5.0210 7.4779 117.4813 61.0032 35.0860 173.9066 44 N 4.5556 8.6195 122.0223 52.9364 42.7730 173.0765 45 T 4.8903 7.8536 121.6150 61.6004 71.4807 173.3198 46 F 4.7505 8.8266 123.7507 55.6218 42.1254 174.4280 47 V 4.5226 8.4001 122.4980 61.8145 32.7385 174.9904 48 H 4.8880 8.9431 123.8513 55.9270 29.6271 175.0357 49 E 4.3200 8.0922 118.5141 55.1979 30.6705 176.8608 50 S 4.3752 8.2560 114.6503 58.3462 64.9900 174.9370 51 L 3.9897 8.4558 124.0135 58.0940 42.0099 179.1786 52 A 3.9736 7.9208 120.4537 55.3412 18.2309 179.1878 53 D 4.3412 7.9245 116.1498 57.4519 41.1563 178.9051 54 V 3.8117 7.8221 118.6912 65.7530 31.7032 178.3278 55 K 4.0514 8.3884 118.1368 59.0325 31.8782 178.8777 56 A 4.1204 7.9469 120.2237 54.1711 18.2584 179.5660 57 V 3.6265 7.6404 117.1334 65.9016 31.3461 176.9411 58 C 4.0060 7.8916 114.6462 58.1145 39.9810 174.1582 59 S 4.4871 7.4420 113.8956 57.9156 63.9492 174.9122 60 Q 4.5158 7.3907 123.4288 55.9931 27.3318 177.0200 61 K 4.2223 8.5202 128.6079 56.9197 33.0571 176.1391 62 K 4.3469 8.7421 130.0458 56.5948 32.7271 176.1125 63 V 4.5249 8.5677 120.1469 60.1905 36.4297 174.5387 64 T 4.2725 8.1769 118.0504 62.4258 69.7478 176.1746 65 C 4.6405 8.4547 123.3143 56.6527 40.8521 175.1746 66 K 3.8071 8.6670 120.6724 58.9909 31.6653 178.0165 67 N 4.6901 8.1650 114.8241 52.3762 37.3457 176.1578 68 G 3.9638 7.9671 108.1309 46.1351 0.0000 174.5936 69 Q 4.2019 7.7963 118.8860 56.4055 29.2178 176.4908 70 T 4.3309 8.2775 107.5451 61.6654 69.1705 173.7858 71 N 4.8743 7.9790 117.9701 53.6594 38.7660 174.5286 72 C 5.2050 7.8112 116.4384 56.7838 42.3044 172.2630 73 Y 5.1845 8.9218 119.7513 56.2041 41.9731 174.0515 74 Q 5.2386 9.5976 125.6980 53.9797 31.4484 175.0515 75 S 4.7750 8.8628 122.1017 58.4355 63.2294 174.7756 76 K 4.1502 9.4985 122.3677 59.0872 32.8764 177.4805 77 S 4.8242 7.6901 113.7431 56.3530 65.1959 173.6006 78 T 4.1649 8.0071 112.1808 62.0911 69.6573 173.4527 79 M 4.9073 8.8002 122.0080 53.5033 36.7870 174.9585 80 R 4.7492 9.3626 120.7301 55.6810 31.3511 175.9527 81 I 5.0912 8.4868 116.9067 59.3850 42.0515 174.1371 82 T 5.0529 8.9955 119.2916 61.8397 71.5862 172.7260 83 D 4.9398 9.3408 127.0418 53.2439 43.0712 174.1802 84 C 5.6088 8.9789 123.7768 55.3477 43.3679 173.2448 85 R 5.3115 8.7282 122.3912 54.0169 33.8282 174.6936 86 E 4.6852 9.3683 123.9369 56.4116 30.0514 177.5097 87 T 4.1293 8.4323 114.7353 61.1319 70.0584 175.8625 88 G 3.6638 8.6681 110.7932 48.3879 0.0000 175.1263 89 S 4.2671 7.3851 114.5888 59.9379 63.2408 174.7596 90 S 3.9479 7.3435 115.4889 58.5277 62.5763 173.8709 91 K 4.2791 8.8282 128.6096 55.2215 33.7017 174.3524 92 Y 4.4718 8.6927 127.9382 57.8428 38.9914 174.0371 93 P 3.7887 0.0000 0.0000 62.8171 31.9626 176.9913 94 N 4.6686 8.0869 120.0498 52.3407 36.9388 172.6507 95 C 4.6244 8.0774 116.5685 56.5237 39.0912 173.1711 96 A 5.0964 8.2795 126.1861 50.4568 21.5824 174.7347 97 Y 5.1938 8.9258 116.9035 56.3260 42.5507 174.5063 98 K 4.6664 9.1707 123.2015 55.2303 34.7748 174.9362 99 T 4.9573 8.5513 123.3395 62.4460 70.3947 174.1401 100 T 4.5627 8.7173 122.7832 61.7725 71.9514 173.1838 101 Q 4.5734 8.7270 126.2077 55.6837 29.8784 175.8699 102 V 4.5358 8.6500 115.7679 60.3488 37.0808 174.6235 103 E 5.5395 8.5092 119.7837 54.9852 31.3025 174.8831 104 K 4.7767 8.2148 122.7216 54.3378 37.5758 175.0427 105 H 4.7998 8.7488 118.3823 55.8979 29.9186 174.9163 106 I 4.8988 8.5630 114.8103 59.2105 40.8943 174.3854 107 I 4.8448 8.7153 125.0025 59.7669 39.8558 175.1123 108 V 4.7454 8.5541 119.5703 59.3325 35.8328 174.3682 109 A 5.1023 9.1359 124.4808 50.9150 20.9066 175.4988 110 C 5.4234 9.0040 119.5729 55.5096 41.8375 173.4742 111 G 4.0261 9.0824 108.6045 46.2696 0.0000 172.9879 112 G 4.1248 9.2774 106.9896 44.8728 0.0000 173.1353 113 K 4.4115 8.0339 116.7887 53.6314 34.4497 175.0859 114 P 4.3339 0.0000 0.0000 62.1688 31.9424 176.1499 115 S 4.5463 8.4419 114.6261 58.8154 62.6197 173.4204 116 V 4.6098 8.4138 120.3279 58.3847 35.7521 173.5892 117 P 4.8968 0.0000 0.0000 63.2837 31.3546 176.7738 118 V 4.5091 8.9620 115.9783 60.8264 33.8960 175.1354 119 H 4.5631 7.7930 117.9720 55.2150 33.2520 172.0977 120 F 4.4399 8.8121 128.7576 58.0193 39.4747 174.1830 121 D 4.5446 8.3959 126.7657 55.0583 41.7978 176.0380 122 A 4.3513 6.3264 119.1986 52.0943 21.3660 174.6497 123 S 5.2675 8.6070 113.7487 56.6833 65.9099 174.7615 124 V 4.0357 8.7427 120.6136 62.1788 31.2932 174.7934 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 8.31 4.32 0.00 1.77 1.82 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.39 7.81 2 E 8.27 4.50 0.00 1.95 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 0.00 2.19 2.37 0.00 3 S 8.91 4.33 0.00 4.10 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 4 A 8.64 4.00 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 5 A 7.99 3.92 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 6 A 7.87 4.01 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 7 K 8.34 3.87 0.00 2.01 2.05 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 8 F 8.32 4.07 0.00 3.17 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 9 E 8.17 3.95 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 10 R 7.95 3.85 0.00 1.78 2.06 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 11 Q 8.02 4.10 0.00 1.88 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 12 H 8.19 4.66 0.00 1.98 2.91 0.00 5.62 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.83 4.60 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 14 D 8.13 4.70 0.00 2.52 2.50 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 15 S 7.90 4.42 0.00 3.93 3.77 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 0.00 0.00 0.00 0.00 16 G 8.88 4.13 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 0.00 17 N 7.69 4.81 0.00 2.83 2.97 0.00 0.00 6.91 7.51 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 18 S 8.48 4.82 0.00 4.02 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 19 P 0.00 4.35 0.00 2.06 2.16 0.00 3.67 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 2.03 2.08 0.00 20 S 7.78 4.45 0.00 3.98 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 21 S 7.60 4.57 0.00 3.88 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 22 S 8.60 4.26 0.00 3.90 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 23 S 7.49 4.35 0.00 3.96 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 24 N 8.25 4.59 0.00 2.96 2.82 0.00 0.00 6.60 7.60 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 25 Y 7.56 4.08 0.00 3.17 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.60 4.10 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.22 4.42 0.00 2.92 2.95 0.00 0.00 7.12 6.74 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 28 L 7.78 4.01 0.00 1.71 1.59 0.89 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 29 M 8.02 3.70 0.00 0.91 1.17 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.80 0.00 30 M 8.34 4.11 0.00 1.70 1.89 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 2.41 0.00 31 C 7.66 4.15 0.00 3.05 3.13 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 32 C 8.09 3.97 0.00 2.87 2.87 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 33 R 8.35 4.27 0.00 1.99 2.01 0.00 3.58 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 34 K 7.75 3.93 0.00 1.93 1.91 0.00 1.67 0.00 0.00 1.89 0.00 0.00 3.22 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.54 7.81 35 M 8.31 4.79 0.00 2.01 1.99 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 2.68 2.41 0.00 36 T 7.78 4.95 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 37 Q 8.39 4.63 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 38 G 10.67 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 39 K 6.64 3.29 0.00 1.55 1.51 0.00 1.39 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.21 7.81 40 C 8.63 4.50 0.00 3.11 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 41 K 8.53 4.22 0.00 1.90 1.76 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.38 7.81 42 P 0.00 4.71 0.00 2.19 2.32 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 43 V 7.48 5.02 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 0.81 0.00 0.00 0.97 0.00 0.00 44 N 8.62 4.56 0.00 2.65 2.25 0.00 0.00 7.05 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 T 7.85 4.89 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 0.77 0.00 0.00 46 F 8.83 4.75 0.00 3.02 2.90 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 47 V 8.40 4.52 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 0.85 0.00 0.00 0.99 0.00 0.00 48 H 8.94 4.89 0.00 3.17 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.09 4.32 0.00 1.99 1.93 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 2.34 2.26 0.00 50 S 8.26 4.38 0.00 4.06 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 51 L 8.46 3.99 0.00 1.79 1.72 0.94 0.90 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 52 A 7.92 3.97 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 53 D 7.92 4.34 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.82 3.81 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 1.09 0.00 0.00 1.01 0.00 0.00 55 K 8.39 4.05 0.00 1.97 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.53 7.81 56 A 7.95 4.12 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 57 V 7.64 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 1.10 0.00 0.00 0.98 0.00 0.00 58 C 7.89 4.01 0.00 2.97 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 59 S 7.44 4.49 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.39 4.52 0.00 2.21 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 61 K 8.52 4.22 0.00 1.98 1.87 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.40 7.81 62 K 8.74 4.35 0.00 1.83 1.62 0.00 1.66 0.00 0.00 1.31 0.00 0.00 3.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.23 1.46 7.81 63 V 8.57 4.52 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 0.74 0.00 0.00 0.83 0.00 0.00 64 T 8.18 4.27 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 1.25 0.00 0.00 65 C 8.45 4.64 0.00 3.07 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 66 K 8.67 3.81 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.59 7.81 67 N 8.17 4.69 0.00 2.78 2.88 0.00 0.00 6.13 7.00 0.00 0.00 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 7.97 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 69 Q 7.80 4.20 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 70 T 8.28 4.33 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 71 N 7.98 4.87 0.00 2.99 3.07 0.00 0.00 6.10 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 72 C 7.81 5.21 0.00 2.95 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 73 Y 8.92 5.18 0.00 2.92 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 9.60 5.24 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 75 S 8.86 4.77 0.00 3.94 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 76 K 9.50 4.15 0.00 1.86 2.00 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.72 7.81 77 S 7.69 4.82 0.00 3.87 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 78 T 8.01 4.16 4.07 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 1.01 0.00 0.00 79 M 8.80 4.91 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 80 R 9.36 4.75 0.00 1.82 1.90 0.00 3.06 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 81 I 8.49 5.09 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.94 0.96 0.00 0.00 82 T 9.00 5.05 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 1.40 0.00 0.00 83 D 9.34 4.94 0.00 2.78 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 84 C 8.98 5.61 0.00 3.01 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 85 R 8.73 5.31 0.00 1.74 1.84 0.00 3.18 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 86 E 9.37 4.69 0.00 1.98 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 2.04 1.85 0.00 87 T 8.43 4.13 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 1.21 0.00 0.00 88 G 8.67 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 89 S 7.39 4.27 0.00 3.79 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 90 S 7.34 3.95 0.00 3.80 3.77 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 0.00 0.00 0.00 0.00 91 K 8.83 4.28 0.00 1.75 1.61 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.52 7.81 92 Y 8.69 4.47 0.00 2.89 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 93 P 0.00 3.79 0.00 1.82 1.03 0.00 3.59 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 94 N 8.09 4.67 0.00 2.85 2.77 0.00 0.00 7.04 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 95 C 8.08 4.62 0.00 3.14 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 96 A 8.28 5.10 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 97 Y 8.93 5.19 0.00 2.99 2.87 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 98 K 9.17 4.67 0.00 1.86 1.71 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 99 T 8.55 4.96 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 1.27 0.00 0.00 100 T 8.72 4.56 4.28 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 1.23 0.00 0.00 101 Q 8.73 4.57 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 102 V 8.65 4.54 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 1.08 0.00 0.00 1.01 0.00 0.00 103 E 8.51 5.54 0.00 1.79 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 0.00 2.21 2.18 0.00 104 K 8.21 4.78 0.00 1.70 1.90 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 105 H 8.75 4.80 0.00 3.06 3.34 0.00 5.57 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.56 4.90 1.84 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 1.27 1.01 1.10 0.00 0.00 107 I 8.72 4.84 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.71 0.86 0.00 0.00 108 V 8.55 4.75 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 0.71 0.00 0.00 0.97 0.00 0.00 109 A 9.14 5.10 1.28 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 0.00 0.00 110 C 9.00 5.42 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 9.08 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 G 9.28 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 0.00 0.00 0.00 113 K 8.03 4.41 0.00 1.69 1.70 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.35 7.81 114 P 0.00 4.33 0.00 2.16 2.04 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 115 S 8.44 4.55 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.41 4.61 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 0.78 0.00 0.00 1.00 0.00 0.00 117 P 0.00 4.90 0.00 1.97 2.04 0.00 3.63 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 2.05 2.13 0.00 118 V 8.96 4.51 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 0.70 0.00 0.00 1.03 0.00 0.00 119 H 7.79 4.56 0.00 3.23 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.81 4.44 0.00 3.00 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 0.00 121 D 8.40 4.54 0.00 2.58 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 0.00 122 A 6.33 4.35 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 0.00 123 S 8.61 5.27 0.00 4.10 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 0.00 124 V 8.74 4.04 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 0.71 0.00 0.00 0.93 0.00 0.00