NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4310 8.3049 120.3516 54.9054 32.3523 174.9548 2 S 4.1240 8.5725 122.3421 57.9500 63.5162 173.3094 3 F 4.7379 9.3262 125.9654 56.2430 42.7373 174.1923 4 L 4.2235 7.2088 127.3041 52.7915 41.6562 176.6044 5 L 4.1231 8.2409 124.5546 54.1057 42.3193 175.5881 6 P 4.5090 0.0000 0.0000 62.8330 32.9084 175.0371 7 K 5.0898 8.3485 118.7836 54.9742 35.7022 176.0042 8 L 4.7579 8.8164 125.3029 53.5226 42.5851 176.6783 9 T 5.1027 10.1840 113.5927 61.1470 70.5740 174.7299 10 S 4.7480 7.6189 116.0225 55.1584 67.5741 174.2658 11 K 4.0061 8.7189 122.6274 59.8613 31.7142 178.2006 12 K 4.0725 8.0020 120.2217 59.1732 32.1125 178.2719 13 E 3.9381 8.0066 118.1181 59.4643 29.4009 179.6583 14 V 3.3899 8.0475 118.4093 65.7612 31.1800 177.8637 15 D 4.3934 8.3218 118.9402 57.4195 40.6029 178.7136 16 Q 3.9892 8.1320 118.2206 58.9906 28.8670 178.7623 17 A 3.5430 7.7271 121.6577 55.1751 18.0324 179.8028 18 I 3.5111 7.1446 116.9706 64.0828 37.1459 178.6113 19 K 4.1111 7.7383 118.4937 59.6711 32.2371 178.6290 20 S 4.0803 8.5162 112.5753 61.0172 62.4831 174.4644 21 T 3.8608 7.3525 116.4532 64.2271 68.7182 173.7002 22 A 4.5947 8.0751 127.2022 51.7810 22.1638 176.8560 23 E 3.7432 9.2726 120.2633 56.2983 28.6476 174.4921 24 K 5.1004 7.1288 116.4462 54.2641 36.0434 176.1992 25 V 4.4538 8.9261 116.3344 61.2518 32.9143 175.3412 26 L 4.8305 9.6290 129.1951 54.7505 43.5068 175.4476 27 V 4.5231 9.1656 127.2815 61.4395 33.5486 174.4346 28 L 4.7926 8.6832 129.7434 53.1112 43.6893 176.2348 29 R 4.5929 8.5380 126.7838 55.0874 31.1132 175.2193 30 F 4.8480 9.6450 127.7480 56.4036 40.0010 173.8170 31 G 4.0838 9.2663 116.3752 46.2208 0.0000 174.4300 32 R 4.8877 8.4281 124.2538 54.8300 34.0434 175.0548 33 D 4.4399 9.1613 123.9058 57.5843 41.1550 178.1425 34 E 4.0351 8.2746 115.4112 59.0766 30.0016 177.6254 35 D 4.3433 7.7478 119.1026 53.7849 42.3539 174.7543 36 P 4.1935 0.0000 0.0000 66.5609 31.1522 178.7568 37 V 3.6242 7.8272 118.2437 65.2925 31.3978 177.6748 38 C 4.1762 9.2190 116.9772 62.7741 28.1021 175.8752 39 L 4.0218 8.3456 120.9567 57.9641 40.8327 179.6650 40 Q 4.0075 8.1374 117.8666 58.8085 28.6860 178.6922 41 L 3.9937 7.9407 121.2549 58.3298 42.1325 178.5050 42 D 4.3550 8.4258 119.2970 57.4184 40.7314 178.3213 43 D 4.4349 7.9518 117.9597 57.6242 41.0198 178.4703 44 I 3.7100 7.1466 118.2417 64.4560 37.4545 178.1852 45 L 3.7853 8.1939 120.1235 57.5062 40.9936 179.8363 46 S 4.2086 8.7299 116.2216 61.5964 62.7326 176.3706 47 K 4.4182 8.2717 117.7998 57.5806 31.5421 177.5209 48 T 4.7529 7.6497 107.8920 60.9201 70.9823 176.1975 49 S 3.9380 8.0837 118.2520 61.6911 62.5585 176.4080 50 S 3.8116 7.8279 117.3679 61.2996 62.4602 176.0363 51 D 4.3671 7.4807 121.8932 55.3089 40.8088 177.6625 52 L 4.4420 7.4138 118.0507 54.1964 42.2888 177.8803 53 S 3.9027 7.7883 114.0361 61.5230 62.2794 175.3968 54 K 4.0058 7.9405 119.6908 59.1141 32.0237 177.1188 55 M 4.5647 8.2960 112.8208 54.3086 32.7239 174.9987 56 A 5.1851 7.8222 119.3892 50.9204 22.6425 175.6326 57 A 4.7156 9.0766 123.4556 50.1433 21.6761 175.2889 58 I 5.0610 8.2708 123.0803 59.8318 39.9578 174.7758 59 Y 4.9728 9.0766 122.6303 56.3142 42.6745 174.0545 60 L 4.9654 8.5297 121.1734 53.0914 44.7383 175.7808 61 V 4.5813 8.4759 122.3897 60.9536 34.5025 173.7194 62 D 5.0599 8.5685 127.5017 53.8245 41.6955 177.5375 63 V 4.0926 8.7451 121.7186 63.7313 31.6061 177.9845 64 D 4.5752 8.1859 117.8393 56.9479 41.4015 177.8396 65 Q 4.2488 9.6905 120.1022 57.6341 30.5064 175.5178 66 T 5.1397 7.7026 114.8737 61.5293 69.7358 174.2708 67 A 4.1040 8.0461 126.4524 55.2452 18.9555 179.6275 68 V 3.4980 7.8101 110.3708 64.9866 31.6229 178.3140 69 Y 3.9125 7.9050 115.7372 61.1720 37.5914 178.1935 70 T 3.7843 8.0101 116.2980 66.7070 68.5073 176.4092 71 Q 3.9599 8.6082 121.6382 59.4386 28.9418 177.4224 72 Y 4.1479 8.0955 119.4992 60.3506 38.7649 177.2268 73 F 4.7487 8.1586 116.1160 56.0525 40.0962 174.9374 74 D 4.3750 8.0704 117.8148 55.1178 39.9012 173.9040 75 I 4.2397 7.9738 118.9523 60.8706 38.2237 176.4990 76 S 4.5140 8.8190 120.4870 58.9033 65.2826 173.9529 77 Y 4.7100 7.8790 115.9240 55.9032 39.9834 174.8276 78 I 4.7531 8.0766 115.3850 58.2481 40.7145 173.3875 79 P 4.9128 0.0000 0.0000 62.9013 33.3532 174.9189 80 S 5.1632 9.1306 116.8231 57.2185 66.6843 173.0136 81 T 5.1483 9.3304 121.6262 61.7683 71.1642 173.4230 82 V 4.5790 8.5407 125.8912 61.0341 34.7092 174.1575 83 F 5.6411 8.7353 123.7169 55.9175 42.3567 174.1887 84 F 5.4199 9.5718 120.7036 56.0081 43.7996 174.2661 85 F 4.7671 9.5013 123.5206 57.3958 42.3379 174.0963 86 N 4.1258 9.6928 125.7350 54.2588 35.9754 175.6265 87 G 4.1411 8.7682 105.8297 45.2942 0.0000 173.7873 88 Q 4.4408 8.1983 120.0826 54.3956 29.7666 174.4307 89 H 2.9800 8.5306 123.0883 55.8984 29.7961 174.2088 90 M 4.4273 8.7862 127.8830 54.7472 33.1167 176.0834 91 K 4.7636 8.6098 122.0921 54.7942 35.0391 175.5238 92 V 4.6043 8.3068 123.7872 60.9651 33.9221 175.8367 93 D 3.4897 9.0598 127.4961 57.6137 41.4419 180.4930 94 Y 3.5330 8.1967 111.7061 58.5271 38.7363 171.9663 95 G 4.3100 9.0558 114.3578 47.3611 0.0000 174.0468 96 S 4.3630 8.0474 113.6809 56.7332 62.9606 172.1342 97 P 4.2084 0.0000 0.0000 64.9474 31.1117 175.9017 98 D 4.5734 7.9407 118.2039 53.5225 40.2524 175.1824 99 H 5.1425 8.3497 122.7110 55.8107 29.3672 177.7856 100 T 3.9995 8.2349 117.1012 65.9129 68.5925 174.6540 101 K 4.9539 7.8389 117.6713 55.7737 35.5626 174.9541 102 F 4.1109 9.4302 125.1903 57.0717 40.8126 174.3642 103 V 4.3635 7.3434 126.2695 62.4950 32.7307 174.9230 104 G 3.6904 8.7974 113.8881 44.0678 0.0000 171.2113 105 S 4.7973 8.2482 113.8600 56.4371 65.5363 173.6424 106 F 4.8907 8.4341 119.6881 55.3702 40.6125 176.2527 107 K 4.0793 9.1623 124.8743 59.3705 31.9375 176.4687 108 T 4.7814 7.8473 106.9360 59.7987 72.1102 174.4265 109 K 4.2306 8.4919 124.2528 59.5459 31.6790 174.9056 110 Q 4.1718 8.0257 118.8547 59.4403 28.9701 177.2129 111 D 4.4087 7.9186 119.9239 57.7568 40.9207 178.5992 112 F 3.1712 7.8732 119.8279 61.2683 39.0310 177.2128 113 I 3.3280 7.2043 117.4155 64.2474 37.1533 177.9094 114 D 4.3588 8.5304 119.8999 57.3319 40.7445 178.2954 115 L 3.8224 8.2916 121.0930 58.5793 41.9294 179.2220 116 I 3.4619 7.3549 119.3509 64.0438 36.8323 178.3831 117 E 3.8967 7.8705 119.5526 59.3449 29.2643 179.2298 118 V 3.5172 7.7037 117.7361 66.1660 31.4694 177.9398 119 I 3.5082 7.5721 119.1285 64.4270 36.9852 177.5874 120 Y 4.0099 8.2808 120.6757 60.8837 38.5821 178.5328 121 R 3.7105 8.4474 119.1709 59.1815 30.2851 178.9794 122 G 3.6464 8.1087 105.3872 48.0236 0.0000 175.4021 123 A 3.5550 8.0226 123.2513 54.8722 18.0423 179.4763 124 M 3.7304 7.3691 115.7116 58.1957 32.1857 177.5806 125 R 4.3419 7.9254 116.6645 55.6636 30.2355 176.9460 126 G 3.7890 7.6663 106.2393 46.0142 0.0000 174.4023 127 K 4.3453 8.0836 119.3680 55.5123 33.2796 176.5229 128 L 4.8021 8.1176 116.4284 54.2878 44.2528 176.3071 129 I 5.0989 7.5214 118.3284 59.5458 41.0995 174.1604 130 V 4.5451 8.5142 120.7640 59.9481 36.5319 174.0117 131 Q 4.6971 8.3207 120.5588 54.2150 30.4760 175.9108 132 S 4.2395 8.4931 118.0196 57.8434 62.9559 172.2329 133 P 4.6577 0.0000 0.0000 63.2509 32.3948 176.0872 134 I 4.7691 7.4342 113.8331 60.2541 38.7865 173.9451 135 D 5.0278 8.5275 118.2270 51.9814 45.5466 176.9736 136 P 4.8789 0.0000 0.0000 61.2528 30.7451 176.2888 137 K 3.9438 8.6165 118.5364 57.2155 32.4032 173.3536 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 4.43 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 2 S 8.57 4.12 0.00 3.99 3.82 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 3 F 9.33 4.74 0.00 2.93 2.86 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 4 L 7.21 4.22 0.00 1.22 1.36 0.76 0.87 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 5 L 8.24 4.12 0.00 1.61 1.61 0.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.51 0.00 1.75 1.98 0.00 3.61 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.04 0.00 7 K 8.35 5.09 0.00 1.57 1.65 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.43 7.81 8 L 8.82 4.76 0.00 1.37 1.47 0.51 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 T 10.18 5.10 4.37 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 1.23 0.00 0.00 10 S 7.62 4.75 0.00 4.01 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 11 K 8.72 4.01 0.00 1.83 1.89 0.00 1.64 0.00 0.00 2.03 0.00 0.00 2.47 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.33 7.81 12 K 8.00 4.07 0.00 1.86 1.80 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.40 7.81 13 E 8.01 3.94 0.00 2.21 1.92 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 2.31 2.31 0.00 14 V 8.05 3.39 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 0.11 0.00 0.00 0.76 0.00 0.00 15 D 8.32 4.39 0.00 2.93 2.72 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 16 Q 8.13 3.99 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 17 A 7.73 3.54 0.79 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 18 I 7.14 3.51 1.88 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.42 0.68 0.00 0.00 19 K 7.74 4.11 0.00 1.73 1.85 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 20 S 8.52 4.08 0.00 3.74 4.01 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 21 T 7.35 3.86 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 1.27 0.00 0.00 22 A 8.08 4.59 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 23 E 9.27 3.74 0.00 2.11 2.24 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 2.19 2.44 0.00 24 K 7.13 5.10 0.00 1.67 1.87 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.42 7.81 25 V 8.93 4.45 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 1.13 0.00 0.00 1.19 0.00 0.00 26 L 9.63 4.83 0.00 1.87 1.76 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.17 4.52 2.27 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 1.07 0.00 0.00 1.33 0.00 0.00 28 L 8.68 4.79 0.00 1.86 1.66 0.84 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.54 4.59 0.00 1.88 1.82 0.00 3.28 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 30 F 9.65 4.85 0.00 3.23 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 31 G 9.27 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 0.00 0.00 0.00 32 R 8.43 4.89 0.00 1.86 1.97 0.00 3.19 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 33 D 9.16 4.44 0.00 2.66 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 34 E 8.27 4.04 0.00 2.08 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 2.29 2.25 0.00 35 D 7.75 4.34 0.00 2.73 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 36 P 0.00 4.19 0.00 2.31 2.32 0.00 3.77 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 2.10 2.05 0.00 37 V 7.83 3.62 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 1.08 0.00 0.00 0.95 0.00 0.00 38 C 9.22 4.18 0.00 3.31 2.98 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 39 L 8.35 4.02 0.00 1.87 1.73 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.14 4.01 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 41 L 7.94 3.99 0.00 1.82 1.85 1.08 1.41 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 42 D 8.43 4.36 0.00 2.76 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 43 D 7.95 4.43 0.00 2.88 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 44 I 7.15 3.71 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 0.71 0.00 0.00 45 L 8.19 3.79 0.00 1.69 1.59 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.73 4.21 0.00 3.98 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 47 K 8.27 4.42 0.00 1.68 1.86 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.49 1.69 7.81 48 T 7.65 4.75 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 49 S 8.08 3.94 0.00 3.83 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 0.00 50 S 7.83 3.81 0.00 3.97 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 51 D 7.48 4.37 0.00 2.53 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 52 L 7.41 4.44 0.00 1.81 1.57 0.93 0.46 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 53 S 7.79 3.90 0.00 3.72 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 54 K 7.94 4.01 0.00 1.61 1.73 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.35 7.81 55 M 8.30 4.56 0.00 0.51 1.03 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 56 A 7.82 5.19 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 57 A 9.08 4.72 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 58 I 8.27 5.06 1.86 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.94 0.00 0.00 59 Y 9.08 4.97 0.00 2.82 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 60 L 8.53 4.97 0.00 1.59 1.51 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.48 4.58 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 0.00 0.00 0.60 0.00 0.00 0.51 0.00 0.00 62 D 8.57 5.06 0.00 2.85 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 63 V 8.75 4.09 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 1.33 0.00 0.00 1.05 0.00 0.00 64 D 8.19 4.58 0.00 2.85 2.74 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 65 Q 9.69 4.25 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 66 T 7.70 5.14 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 1.50 0.00 0.00 67 A 8.05 4.10 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 68 V 7.81 3.50 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 0.74 0.00 0.00 0.76 0.00 0.00 69 Y 7.90 3.91 0.00 3.25 3.18 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 70 T 8.01 3.78 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 1.28 0.00 0.00 71 Q 8.61 3.96 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 72 Y 8.10 4.15 0.00 2.68 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 73 F 8.16 4.75 0.00 2.85 2.84 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 0.00 0.00 0.00 74 D 8.07 4.38 0.00 2.74 2.69 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 75 I 7.97 4.24 1.98 0.00 0.00 0.55 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 0.70 1.02 0.00 0.00 76 S 8.82 4.51 0.00 3.75 3.57 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 77 Y 7.88 4.71 0.00 2.94 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 78 I 8.08 4.75 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 1.00 0.00 0.00 79 P 0.00 4.91 0.00 2.22 2.27 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 80 S 9.13 5.16 0.00 3.86 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 81 T 9.33 5.15 4.36 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 0.84 0.00 0.00 82 V 8.54 4.58 1.82 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 0.66 0.00 0.00 0.16 0.00 0.00 83 F 8.74 5.64 0.00 3.15 3.04 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 84 F 9.57 5.42 0.00 3.03 3.04 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 85 F 9.50 4.77 0.00 3.13 2.93 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 86 N 9.69 4.13 0.00 2.87 2.84 0.00 0.00 7.37 7.65 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 87 G 8.77 4.14 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 0.00 88 Q 8.20 4.44 0.00 2.47 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 89 H 8.53 2.98 0.00 2.69 3.03 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 8.79 4.43 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.93 0.00 91 K 8.61 4.76 0.00 1.65 1.65 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.67 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.27 7.81 92 V 8.31 4.60 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.75 0.00 0.00 93 D 9.06 3.49 0.00 2.59 2.52 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 94 Y 8.20 3.53 0.00 3.13 2.93 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 95 G 9.06 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 0.00 0.00 0.00 0.00 96 S 8.05 4.36 0.00 3.86 3.85 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 97 P 0.00 4.21 0.00 2.20 2.17 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 98 D 7.94 4.57 0.00 2.69 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 99 H 8.35 5.14 0.00 3.17 3.23 0.00 5.96 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.23 4.00 4.58 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 1.29 0.00 0.00 101 K 7.84 4.95 0.00 1.88 1.75 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 102 F 9.43 4.11 0.00 3.26 3.19 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 0.00 103 V 7.34 4.36 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 0.71 0.00 0.00 0.89 0.00 0.00 104 G 8.80 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 0.00 0.00 0.00 105 S 8.25 4.80 0.00 3.83 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 0.00 106 F 8.43 4.89 0.00 3.14 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 0.00 107 K 9.16 4.08 0.00 2.04 1.96 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.77 7.81 108 T 7.85 4.78 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 1.25 0.00 0.00 109 K 8.49 4.23 0.00 1.79 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.06 7.81 110 Q 8.03 4.17 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 111 D 7.92 4.41 0.00 3.03 2.96 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 0.00 112 F 7.87 3.17 0.00 1.85 2.86 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 0.00 113 I 7.20 3.33 1.92 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 1.49 0.83 0.80 0.00 0.00 114 D 8.53 4.36 0.00 2.82 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 0.00 115 L 8.29 3.82 0.00 1.68 1.52 0.91 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.35 3.46 1.58 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.36 0.74 0.00 0.00 117 E 7.87 3.90 0.00 2.08 1.96 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 2.22 2.47 0.00 118 V 7.70 3.52 2.13 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 1.15 0.00 0.00 0.93 0.00 0.00 119 I 7.57 3.51 1.88 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.27 0.86 0.00 0.00 120 Y 8.28 4.01 0.00 3.08 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 0.00 121 R 8.45 3.71 0.00 1.79 1.87 0.00 3.18 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 122 G 8.11 3.65 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 0.00 0.00 0.00 123 A 8.02 3.56 0.29 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 0.00 0.00 124 M 7.37 3.73 0.00 1.60 1.52 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 125 R 7.93 4.34 0.00 1.79 1.84 0.00 3.22 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 126 G 7.67 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 0.00 127 K 8.08 4.35 0.00 1.59 1.67 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.44 7.81 128 L 8.12 4.80 0.00 1.51 1.59 0.92 0.60 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 0.00 129 I 7.52 5.10 1.82 0.00 0.00 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 1.28 0.57 0.86 0.00 0.00 130 V 8.51 4.55 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 0.58 0.00 0.00 0.78 0.00 0.00 131 Q 8.32 4.70 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 132 S 8.49 4.24 0.00 4.12 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 0.00 133 P 0.00 4.66 0.00 2.21 2.12 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 134 I 7.43 4.77 2.00 0.00 0.00 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 1.38 0.97 0.98 0.00 0.00 135 D 8.53 5.03 0.00 2.63 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 0.00 136 P 0.00 4.88 0.00 2.03 0.95 0.00 3.94 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 137 K 8.62 3.94 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.25 7.81