NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3685 8.3044 120.3493 55.4087 33.0149 174.7729 2 E 3.8856 8.4694 127.2055 55.6301 30.3046 175.2306 3 K 4.4519 8.3322 118.7078 54.8689 36.2614 175.3413 4 K 4.4259 8.2229 118.8971 55.9064 33.0950 176.0999 5 T 4.9164 8.4961 122.3910 62.5534 70.6648 174.1846 6 I 4.9174 8.7169 125.1735 59.4579 41.4990 174.6188 7 V 4.9486 8.2132 124.4653 60.9472 34.5943 174.0407 8 L 4.9646 8.7306 128.1050 53.7862 43.2637 175.6429 9 G 2.6801 8.2866 109.8328 43.6252 0.0000 171.5960 10 V 4.7268 8.1353 123.1473 61.3342 32.1553 174.4607 11 I 4.7022 8.6864 129.1379 60.2030 39.7929 173.4696 12 G 2.9533 8.5409 112.6303 43.3679 0.0000 174.8207 13 S 4.7348 7.8194 118.7392 57.7406 63.9205 175.7956 14 D 4.5392 7.1219 120.2330 54.3597 43.7575 174.6254 15 C 4.1700 9.1869 124.8514 60.3276 31.7661 175.7409 16 H 3.9603 7.8354 117.8561 56.2879 27.2734 176.5679 17 A 4.6540 8.6678 129.5737 51.8136 19.2461 178.2791 18 V 3.9271 7.6432 122.3017 65.5532 31.6992 174.2034 19 G 4.1062 8.9682 119.6681 46.5807 0.0000 173.2201 20 N 4.9662 7.2580 118.6481 50.7312 37.5991 172.9855 21 K 4.6738 7.8098 121.6750 57.4626 39.1068 177.8019 22 I 3.6868 7.8644 118.6248 63.4106 38.3204 175.7135 23 L 4.2827 7.1940 122.1691 52.4055 39.1681 174.4772 24 D 4.8640 6.9414 121.3200 54.7458 47.3800 176.7188 25 H 4.4094 8.2753 117.7119 57.3054 28.5866 178.1554 26 S 3.9172 6.6399 116.6228 61.4986 63.0238 176.3001 27 F 4.4868 6.6703 120.7653 60.3542 38.6503 177.9859 28 T 4.1426 8.0624 114.7643 65.3872 67.9603 174.9471 29 N 4.8429 7.7654 117.9888 53.3298 39.1722 174.3929 30 A 4.4927 8.0811 117.5265 51.0712 19.1872 178.5285 31 G 3.8733 8.1275 103.6841 46.6690 0.0000 173.7450 32 F 4.4380 8.1009 120.3285 55.9842 41.3118 174.8027 33 N 4.7464 8.3579 123.2189 53.2425 39.2078 173.8201 34 V 4.8759 8.4421 125.8039 60.9728 35.0541 174.8122 35 V 4.2517 8.5966 126.6107 61.2564 34.0419 174.4535 36 N 4.8579 8.7968 126.9157 52.4439 37.6182 175.0250 37 I 3.8192 8.3372 125.8299 62.1629 39.0254 176.8079 38 G 4.4738 7.1944 113.5886 45.0931 0.0000 171.4160 39 V 4.5129 8.2521 124.1384 62.1569 33.7540 174.5653 40 L 3.5022 8.5939 125.1629 55.2000 39.6346 172.3166 41 S 4.5582 7.6139 113.4396 59.3480 67.5188 173.8197 42 S 4.0078 8.0350 115.3712 56.6838 66.5116 175.6190 43 Q 3.4362 8.0079 119.6764 59.6696 27.7720 178.9895 44 E 3.8309 7.7873 119.8566 59.1462 29.5827 178.2369 45 D 4.5616 7.8995 117.5075 56.4527 41.3646 178.3075 46 F 4.5686 7.6821 118.1556 60.1853 38.9868 177.2406 47 I 3.7001 8.0755 120.1151 64.8007 36.9263 177.8985 48 N 4.3356 7.7993 115.7711 56.4050 38.6454 176.7280 49 A 4.0305 8.1178 122.0778 54.7164 18.5833 179.4009 50 A 4.0520 8.0760 119.6080 55.1308 18.1789 179.9435 51 I 3.7118 7.6941 118.0796 64.4042 37.2088 178.2665 52 E 4.1291 8.1929 118.8604 59.3903 29.5974 178.6006 53 T 4.2519 8.1260 107.5753 60.9868 71.1173 174.6955 54 K 4.4112 8.4576 117.7843 57.8604 27.7599 175.6122 55 A 4.5311 7.3648 120.9449 51.6065 20.5927 177.4594 56 D 4.6099 8.7050 122.3186 55.9802 42.6279 176.7133 57 L 5.0917 7.5894 118.0727 52.9564 43.9115 176.0509 58 I 4.7823 8.0574 122.7442 59.7558 41.2636 173.7997 59 C 5.5913 8.9869 124.9515 57.4215 30.8658 173.2924 60 V 4.8997 8.5941 117.9500 59.9848 33.5425 175.1289 61 S 5.1509 8.8810 121.8358 57.0701 65.1359 173.2253 62 S 5.2096 8.2671 121.3852 56.2068 64.1935 175.6470 63 L 4.6566 7.8288 122.8364 54.8148 41.2683 175.0051 64 Y 4.7462 7.9951 110.8522 57.7431 40.4683 176.4628 65 G 3.9313 8.6531 108.2437 46.0678 0.0000 173.7627 66 Q 4.3736 6.1218 118.2489 54.6690 30.3472 177.4604 67 G 3.9148 8.0618 107.3276 47.3992 0.0000 175.6268 68 E 4.3825 8.2437 119.4126 59.2184 29.2919 179.1252 69 I 3.8910 7.4210 119.4949 63.8918 38.0274 177.4917 70 D 4.5154 8.0058 119.1086 57.7403 40.8756 178.7453 71 C 4.5805 8.3953 116.9843 61.3252 27.8659 173.4219 72 K 3.8736 7.1648 120.7874 57.9320 31.6848 176.2131 73 G 3.6554 8.6969 116.0776 46.9550 0.0000 174.7243 74 L 3.9496 7.8783 123.9317 57.2607 41.9631 177.8871 75 R 3.5692 6.8555 118.3928 59.3929 29.9444 177.9497 76 E 3.8613 7.7535 118.1653 58.5888 29.6635 178.2063 77 K 3.9526 8.1577 120.3022 59.1482 32.1171 178.6678 78 C 4.0945 8.4698 117.7055 62.4707 27.9935 175.2602 79 D 4.9497 8.1267 121.2431 57.1002 40.5942 178.3630 80 E 3.9936 8.1092 117.6886 58.8598 29.5394 178.3362 81 A 4.2932 7.6819 118.2479 52.1568 18.4612 177.3075 82 G 3.8665 7.8473 105.6929 46.8168 0.0000 175.1824 83 L 4.6082 7.3062 122.6328 54.3766 41.0452 180.4456 84 K 4.7515 8.7353 133.8586 56.3656 34.3719 175.6944 85 G 4.1777 8.2596 105.8830 46.4433 0.0000 174.3181 86 I 3.7165 7.3736 118.4987 61.0165 39.4269 175.9212 87 K 4.3631 8.6073 129.2734 55.6841 33.2886 175.7687 88 L 5.0613 8.5603 124.8912 52.9309 45.2355 175.4100 89 F 5.9335 8.8737 120.6620 55.1844 42.1166 175.1958 90 V 4.9372 8.1889 121.0476 60.1048 33.8658 174.4832 91 G 4.3949 8.8744 111.1400 45.6381 0.0000 168.8177 92 G 3.7679 8.6898 114.2353 45.9961 0.0000 172.5126 93 N 4.3315 8.2654 123.4250 54.0550 35.8092 173.6117 94 I 4.2400 8.1987 112.1183 62.1035 39.5114 177.9311 95 V 4.3537 7.6152 116.6917 60.7966 31.5100 175.1356 96 V 3.3119 7.7746 116.9418 63.3723 31.0531 174.7083 97 G 3.6791 8.7184 114.4283 46.5787 0.0000 172.5577 98 K 3.8575 8.6786 125.5971 56.7170 29.3327 175.8364 99 Q 4.5091 7.7142 114.7825 55.8460 31.7912 172.1937 100 N 4.8804 8.3414 120.5007 53.6785 41.9377 178.1659 101 W 2.7912 8.3630 122.2610 57.6245 31.1449 175.4575 102 P 4.2591 0.0000 0.0000 65.9103 30.7575 178.5616 103 D 4.3852 8.1652 117.5510 57.0455 40.8521 178.8923 104 V 3.0307 7.0608 118.0423 65.8273 31.5535 177.4965 105 E 3.7871 7.8140 118.5746 59.4432 28.8249 179.1198 106 Q 3.9436 7.5304 117.8843 59.2659 28.9652 178.6159 107 R 3.9614 7.9712 119.3220 59.4894 30.3546 178.3630 108 F 4.1476 8.8021 117.9636 60.7157 38.4848 177.9844 109 K 4.8501 8.4563 118.7299 58.7836 31.6043 179.3913 110 A 4.0697 7.6644 119.8109 54.8603 18.4495 178.6683 111 M 4.3885 7.6681 112.4147 55.9760 31.8697 176.8154 112 G 3.7920 7.5715 116.6736 46.0325 0.0000 173.3715 113 F 4.1106 7.7514 117.6802 57.3816 40.0861 176.1721 114 D 4.4766 8.7174 124.1123 57.0737 41.0460 176.3123 115 R 4.7768 8.1168 115.6596 54.5449 35.0573 173.5052 116 V 4.6988 7.9647 120.1119 60.3519 34.1402 174.2727 117 Y 4.6369 8.2046 124.8776 55.8607 39.4288 173.4418 118 P 2.9700 0.0000 0.0000 61.0084 31.8063 173.8438 119 P 4.1098 0.0000 0.0000 64.5505 30.9654 174.8562 120 G 3.2668 8.4482 115.9917 45.0959 0.0000 173.0869 121 T 4.0138 7.0933 119.2720 62.8333 67.9806 174.9075 122 S 4.3091 8.2824 120.2566 57.4466 63.9458 173.0631 123 P 4.3124 0.0000 0.0000 63.8020 31.3891 177.8225 124 E 3.9345 7.9988 119.5535 59.5703 29.5323 178.4529 125 T 3.9687 7.7924 115.7067 66.6551 67.9467 176.8677 126 T 4.0818 7.1036 119.1632 65.6004 68.5025 177.1933 127 I 3.9638 8.2301 121.9745 64.2183 37.1970 178.2606 128 A 4.4096 8.2464 123.0660 54.2229 18.2006 179.1605 129 D 4.3347 8.3938 117.5170 57.8529 41.3728 178.4123 130 M 4.3878 8.4836 117.5301 58.3846 31.1994 178.5609 131 K 4.1243 8.3414 119.5264 59.5098 32.1482 179.1011 132 E 4.3878 8.1544 118.7345 58.9405 29.4170 179.4954 133 V 3.8627 7.9211 117.5398 65.4654 31.7209 177.1494 134 L 4.5182 7.9311 115.9581 53.9174 42.6103 176.3433 135 G 3.6755 8.9978 105.3814 45.7745 0.0000 172.7904 136 V 4.3510 7.6057 116.8337 61.8410 35.3254 174.1453 137 E 4.1096 8.7692 122.0367 56.6866 30.3853 173.8480 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 4.37 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 2 E 8.47 3.89 0.00 2.05 1.89 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 2.28 2.35 0.00 3 K 8.33 4.45 0.00 1.86 1.77 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 4 K 8.22 4.43 0.00 1.73 2.03 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.43 7.81 5 T 8.50 4.92 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 1.24 0.00 0.00 6 I 8.72 4.92 1.74 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.91 0.62 0.00 0.00 7 V 8.21 4.95 2.25 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 1.23 0.00 0.00 0.93 0.00 0.00 8 L 8.73 4.96 0.00 1.70 1.63 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.29 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 0.00 0.00 0.00 10 V 8.14 4.73 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 1.06 0.00 0.00 0.94 0.00 0.00 11 I 8.69 4.70 2.18 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 1.19 0.00 0.00 12 G 8.54 2.95 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 0.00 0.00 0.00 13 S 7.82 4.73 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 14 D 7.12 4.54 0.00 2.78 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 15 C 9.19 4.17 0.00 3.18 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 16 H 7.84 3.96 0.00 3.36 2.77 0.00 5.85 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 17 A 8.67 4.65 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 18 V 7.64 3.93 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 1.01 0.00 0.00 19 G 8.97 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 0.00 0.00 0.00 20 N 7.26 4.97 0.00 2.73 2.80 0.00 0.00 6.97 6.66 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 21 K 7.81 4.67 0.00 2.02 1.68 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.50 7.81 22 I 7.86 3.69 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.93 0.00 0.00 23 L 7.19 4.28 0.00 1.83 1.78 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 D 6.94 4.86 0.00 2.57 2.49 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 25 H 8.28 4.41 0.00 3.34 3.29 0.00 5.88 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 26 S 6.64 3.92 0.00 3.69 3.75 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 27 F 6.67 4.49 0.00 3.11 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 28 T 8.06 4.14 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 1.31 0.00 0.00 29 N 7.77 4.84 0.00 2.71 2.79 0.00 0.00 7.06 7.95 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 30 A 8.08 4.49 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 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 32 F 8.10 4.44 0.00 3.26 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 33 N 8.36 4.75 0.00 3.09 3.05 0.00 0.00 7.01 7.63 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 34 V 8.44 4.88 2.17 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 0.97 0.00 0.00 1.04 0.00 0.00 35 V 8.60 4.25 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 1.02 0.00 0.00 0.99 0.00 0.00 36 N 8.80 4.86 0.00 2.62 2.75 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 37 I 8.34 3.82 1.84 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 1.24 1.30 0.53 0.00 0.00 38 G 7.19 4.47 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 0.00 39 V 8.25 4.51 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 0.87 0.00 0.00 0.93 0.00 0.00 40 L 8.59 3.50 0.00 1.69 1.76 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.61 4.56 0.00 4.40 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 42 S 8.04 4.01 0.00 3.59 3.47 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 43 Q 8.01 3.44 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 44 E 7.79 3.83 0.00 1.89 1.98 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 2.29 2.25 0.00 45 D 7.90 4.56 0.00 2.78 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 46 F 7.68 4.57 0.00 3.05 2.97 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 47 I 8.08 3.70 2.06 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 1.40 0.61 0.94 0.00 0.00 48 N 7.80 4.34 0.00 2.92 3.18 0.00 0.00 7.39 7.72 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 49 A 8.12 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 50 A 8.08 4.05 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 51 I 7.69 3.71 2.04 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 1.52 0.82 0.91 0.00 0.00 52 E 8.19 4.13 0.00 1.99 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 2.36 2.46 0.00 53 T 8.13 4.25 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 1.23 0.00 0.00 54 K 8.46 4.41 0.00 1.87 2.20 0.00 1.79 0.00 0.00 2.37 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.35 7.81 55 A 7.36 4.53 1.26 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 0.00 0.00 0.00 56 D 8.71 4.61 0.00 2.64 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 57 L 7.59 5.09 0.00 1.44 1.30 0.71 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.06 4.78 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.26 1.08 0.00 0.00 59 C 8.99 5.59 0.00 2.74 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 60 V 8.59 4.90 2.30 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 1.22 0.00 0.00 1.28 0.00 0.00 61 S 8.88 5.15 0.00 3.85 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 62 S 8.27 5.21 0.00 4.18 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 63 L 7.83 4.66 0.00 1.95 1.72 1.14 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.00 4.75 0.00 3.11 2.95 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 65 G 8.65 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 66 Q 6.12 4.37 0.00 1.06 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.94 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 67 G 8.06 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 0.00 0.00 0.00 68 E 8.24 4.38 0.00 2.40 2.44 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 2.34 2.42 0.00 69 I 7.42 3.89 2.04 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 1.63 0.51 0.92 0.00 0.00 70 D 8.01 4.52 0.00 2.96 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 71 C 8.40 4.58 0.00 3.28 3.32 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 72 K 7.16 3.87 0.00 1.76 1.63 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.19 1.21 7.81 73 G 8.70 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 74 L 7.88 3.95 0.00 1.95 1.71 0.95 1.02 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 75 R 6.86 3.57 0.00 1.00 1.49 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 76 E 7.75 3.86 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 2.48 2.29 0.00 77 K 8.16 3.95 0.00 1.88 1.73 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 78 C 8.47 4.09 0.00 3.07 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 79 D 8.13 4.95 0.00 2.77 2.77 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 80 E 8.11 3.99 0.00 1.99 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 2.31 2.38 0.00 81 A 7.68 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.85 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 83 L 7.31 4.61 0.00 1.78 0.77 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.74 4.75 0.00 1.86 1.70 0.00 1.52 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.45 7.81 85 G 8.26 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 86 I 7.37 3.72 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.92 0.86 0.00 0.00 87 K 8.61 4.36 0.00 1.68 1.85 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.50 7.81 88 L 8.56 5.06 0.00 1.78 1.92 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.87 5.93 0.00 3.01 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 90 V 8.19 4.94 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 -0.01 0.00 0.00 0.91 0.00 0.00 91 G 8.87 4.39 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 0.00 92 G 8.69 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 0.00 0.00 0.00 93 N 8.27 4.33 0.00 2.91 2.91 0.00 0.00 7.09 7.41 0.00 0.00 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 I 8.20 4.24 1.91 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.20 1.18 0.00 0.00 95 V 7.62 4.35 1.79 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 1.08 0.00 0.00 0.35 0.00 0.00 96 V 7.77 3.31 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 0.91 0.00 0.00 0.97 0.00 0.00 97 G 8.72 3.68 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 0.00 0.00 0.00 98 K 8.68 3.86 0.00 1.92 1.94 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 99 Q 7.71 4.51 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 100 N 8.34 4.88 0.00 2.78 2.63 0.00 0.00 7.42 8.10 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 0.00 101 W 8.36 2.79 0.00 3.65 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.16 2.14 0.00 3.81 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 2.16 2.25 0.00 103 D 8.17 4.39 0.00 2.70 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 0.00 104 V 7.06 3.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.11 0.00 0.00 105 E 7.81 3.79 0.00 2.10 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 2.29 2.18 0.00 106 Q 7.53 3.94 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 107 R 7.97 3.96 0.00 2.06 2.14 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 108 F 8.80 4.15 0.00 3.08 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 0.00 109 K 8.46 4.85 0.00 1.99 1.99 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.48 7.81 110 A 7.66 4.07 1.44 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 0.00 111 M 7.67 4.39 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.48 0.00 112 G 7.57 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 0.00 113 F 7.75 4.11 0.00 3.31 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 0.00 114 D 8.72 4.48 0.00 2.80 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 0.00 115 R 8.12 4.78 0.00 1.48 1.22 0.00 3.29 0.00 0.00 3.54 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 116 V 7.96 4.70 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 1.09 0.00 0.00 0.73 0.00 0.00 117 Y 8.20 4.64 0.00 2.99 2.77 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 0.00 118 P 0.00 2.97 0.00 1.71 1.31 0.00 3.87 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 119 P 0.00 4.11 0.00 1.99 1.95 0.00 2.48 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 120 G 8.45 3.27 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 0.00 121 T 7.09 4.01 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 1.10 0.00 0.00 122 S 8.28 4.31 0.00 3.93 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 0.00 123 P 0.00 4.31 0.00 2.05 2.05 0.00 3.77 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 124 E 8.00 3.93 0.00 2.05 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 2.37 2.41 0.00 125 T 7.79 3.97 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 1.25 0.00 0.00 126 T 7.10 4.08 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 127 I 8.23 3.96 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.02 1.09 0.00 0.00 128 A 8.25 4.41 1.53 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 0.00 0.00 129 D 8.39 4.33 0.00 2.95 2.80 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 0.00 130 M 8.48 4.39 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.89 0.00 131 K 8.34 4.12 0.00 2.05 2.01 0.00 1.89 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.66 1.91 7.81 132 E 8.15 4.39 0.00 2.11 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 2.40 2.45 0.00 133 V 7.92 3.86 2.48 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 0.96 0.00 0.00 1.20 0.00 0.00 134 L 7.93 4.52 0.00 1.82 1.75 1.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.00 3.68 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 0.00 0.00 0.00 136 V 7.61 4.35 2.16 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 0.88 0.00 0.00 0.97 0.00 0.00 137 E 8.77 4.11 0.00 2.27 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 2.30 2.33 0.00