NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6170 8.4249 119.1554 53.0840 40.0717 175.0813 4 Q 4.2144 8.3067 121.4033 56.2090 26.2039 175.1388 5 Y 4.9139 8.1466 120.1005 58.2973 40.2652 173.5929 6 Y 4.8849 8.5504 118.2411 57.0422 43.0424 174.8465 7 G 3.6066 7.2941 110.9360 44.5879 0.0000 172.4102 8 T 4.0391 8.1720 116.4639 61.6568 67.8823 174.5013 9 G 4.3525 7.5313 109.3344 45.9559 0.0000 174.0776 10 R 4.6978 7.7936 111.0844 53.0355 30.8756 175.1006 11 R 4.5264 7.9686 119.2842 55.0127 33.4723 174.2479 12 K 3.9989 9.3918 116.4307 56.8970 29.9775 175.2557 13 S 3.6999 7.9476 110.5574 58.8072 62.0565 170.6841 14 S 5.5231 7.9954 114.6364 57.3708 66.2423 173.5348 15 A 4.5339 8.5447 121.5617 51.9317 21.5103 175.7858 16 A 4.5466 9.9261 124.8663 51.6620 20.7229 177.2045 17 R 4.1986 7.8723 114.3277 54.5885 32.7598 173.9430 18 V 3.5207 8.4192 123.3826 63.1171 32.2248 174.5838 19 F 4.8999 8.1156 128.1931 56.6392 38.3625 174.9972 20 I 4.9471 8.1881 123.4774 59.9495 37.3798 175.1685 21 K 4.5080 8.3851 126.8940 54.0022 34.6371 174.3864 22 P 4.1997 0.0000 0.0000 63.9200 31.6331 177.4279 23 G 3.9361 8.6732 114.8354 45.0760 0.0000 170.5773 24 N 4.0119 8.4679 116.4887 53.6511 35.0614 174.8253 25 G 4.1528 8.2265 116.0148 45.4855 0.0000 171.7018 26 K 4.6067 7.9013 118.4950 55.2682 35.4493 175.2706 27 I 4.8674 8.2655 122.3428 59.7311 40.5054 175.1916 28 V 5.2304 8.7169 124.6885 60.8742 31.4665 173.3698 29 I 4.5388 7.8421 117.3116 60.5624 39.4947 175.9005 30 N 3.9467 9.0552 119.7251 56.1231 35.7630 173.3788 31 Q 3.3379 8.1432 116.9316 55.9494 28.5565 173.3704 32 R 4.5740 7.4755 111.9247 54.6726 34.7195 174.9662 33 S 5.2162 8.3115 114.0921 56.3736 63.5588 173.7450 34 L 3.7388 8.0285 119.6890 59.4609 42.1275 178.6077 35 E 4.0562 8.0498 121.8915 58.7369 30.3188 176.9109 36 Q 4.5397 7.7104 120.4495 55.5284 30.6261 174.4172 37 Y 4.6917 7.8900 126.0002 58.4209 43.2615 174.4020 38 F 4.4148 9.7420 120.3381 59.4954 40.0650 176.0482 39 G 3.8490 7.4295 108.7551 47.0701 0.0000 172.8457 40 R 3.9958 8.7749 116.8424 57.1162 27.0979 177.4315 41 E 4.5614 8.2223 115.7718 57.1161 33.5457 175.2353 42 T 4.5687 7.3582 106.3889 60.2188 71.9962 173.4808 43 A 4.5163 8.3360 122.3955 52.0067 17.9333 179.5076 44 R 4.0565 8.2188 118.5162 60.0734 29.6552 177.1168 45 M 4.2418 7.9665 117.6359 57.0741 31.9560 177.3207 46 V 3.9132 7.7606 109.8306 63.4143 31.5061 178.4062 47 V 3.7930 7.6919 115.3653 63.9285 31.7176 178.1760 48 R 4.2123 7.9589 115.7655 57.5774 29.8268 177.9457 49 Q 4.0289 7.6713 121.1439 59.1533 28.7344 177.1751 50 P 3.7426 0.0000 0.0000 65.6299 31.6052 178.0705 51 L 4.0897 7.8960 118.1811 56.2823 42.4771 177.2223 52 E 4.6168 7.5427 120.2610 54.1651 26.0661 175.6834 53 L 4.4448 7.3218 117.5095 56.1788 47.9106 176.1337 54 V 4.2566 7.9938 108.6855 62.2858 34.6030 174.7521 55 D 4.6717 8.4892 122.1191 55.0325 40.6516 172.8214 56 M 4.3405 7.9953 122.4006 54.0585 38.1474 179.3253 57 V 3.3347 9.0505 121.0337 63.5468 31.4009 174.6867 58 E 4.0161 9.2027 120.8418 58.5506 30.1653 179.3447 59 K 3.8982 8.4627 121.2560 58.8358 32.6006 176.1935 60 L 4.5443 7.2888 115.5258 53.6072 45.9576 173.4632 61 D 5.7648 8.6441 118.0572 51.6422 44.2258 176.1035 62 L 4.7744 7.7991 123.9676 54.5165 43.3470 175.8596 63 Y 4.2983 8.3835 121.6338 58.2102 39.6845 174.7157 64 I 4.6764 7.8401 129.3021 62.4086 40.4384 174.4319 65 T 4.5338 6.7601 116.3893 64.2693 71.7799 172.8694 66 V 4.1655 7.9731 126.1114 60.5750 33.3368 176.0344 67 K 4.4325 8.8393 119.7737 55.6617 36.0239 176.0262 68 G 4.1047 9.5076 114.4364 45.3899 0.0000 173.1719 69 G 4.3994 8.2862 104.7183 45.5840 0.0000 173.5788 70 G 4.0057 7.7349 103.4211 43.7927 0.0000 173.3731 71 I 2.7603 8.3674 117.9651 65.2868 36.8151 177.9530 72 S 4.2104 8.0916 118.9115 61.6055 63.0840 177.2425 73 G 3.5403 7.6517 108.1165 48.3670 0.0000 175.2154 74 Q 4.0745 9.0650 121.4686 59.1358 28.5686 179.1814 75 A 4.2051 8.3382 120.6249 55.4957 18.8482 179.7947 76 G 3.5557 8.1481 103.3987 47.6801 0.0000 175.8332 77 A 4.1105 8.5782 123.4316 55.2288 17.9024 179.5130 78 I 3.5756 7.5632 117.8992 65.0027 36.9823 177.8404 79 R 3.9752 7.7943 118.8508 60.3264 29.6187 177.6336 80 H 4.7545 7.5070 118.8987 57.5251 30.1248 176.9635 81 G 3.6814 7.6533 106.5211 47.4693 0.0000 175.5166 82 I 3.6270 8.6363 122.0763 64.9335 37.4642 177.4789 83 T 3.6495 7.8096 112.8769 66.0977 66.5775 175.7119 84 R 4.0467 8.1288 116.3992 58.6164 29.2956 177.6629 85 A 4.8657 7.6476 121.7613 51.3992 18.8516 177.1228 86 L 4.6437 7.7030 119.5768 55.6599 43.2017 178.2235 87 M 4.2331 7.7503 117.3796 58.8946 31.5899 177.8776 88 E 3.8103 7.8081 116.8305 57.9927 29.5354 177.1266 89 Y 4.8470 7.1721 117.8995 56.5960 40.9090 174.6598 90 D 4.8160 7.5984 118.1045 54.0816 43.5308 176.2545 91 E 4.0994 8.6281 121.8965 57.6648 29.7132 177.8056 92 S 4.6374 7.8139 114.3260 58.1747 63.7033 174.5228 93 L 5.3029 8.0303 119.9483 55.1998 41.0682 177.6773 94 R 3.9668 7.8825 120.7175 59.7025 30.1212 178.1660 95 S 4.6327 7.8671 110.7878 58.2884 61.8217 174.0282 96 E 4.7525 9.1095 114.6418 55.7971 32.1112 176.3637 97 L 4.1935 7.9172 118.8667 56.3463 44.1294 178.8506 98 R 3.9976 8.0522 118.0302 59.0885 30.1156 177.9237 99 K 3.9802 8.2335 117.3776 58.3755 32.1838 176.1556 100 A 4.7234 8.0307 121.7078 52.1202 19.4315 175.5361 101 G 3.8588 8.5119 111.3252 47.6094 0.0000 173.5339 102 F 4.6768 7.4673 121.2773 57.9901 45.0690 177.0580 103 V 3.6699 8.2435 117.6616 64.8510 31.9152 177.0918 104 T 4.0387 7.8370 109.7888 60.8373 68.7457 174.2481 105 R 3.3137 8.3318 127.2301 55.8480 30.3603 176.7641 106 D 4.4981 8.2574 123.7276 53.6604 38.9351 176.1468 107 A 4.0242 8.2095 127.3505 53.7752 18.8336 178.2374 108 R 4.1264 7.3901 112.7440 55.9643 30.2004 175.9781 109 Q 4.4483 8.1750 120.4938 53.9419 32.8753 173.9561 110 V 4.1198 8.2099 118.6143 63.3361 31.9959 174.5142 111 E 4.5899 8.2747 121.6634 53.4752 31.7373 175.1821 112 R 3.8602 8.7646 122.6645 56.2318 29.6145 176.1550 113 K 4.0220 8.5897 124.4530 56.0846 32.9211 175.9391 114 K 4.2677 8.5370 126.2596 55.0702 32.9518 176.3843 115 V 4.0886 8.3663 123.5353 64.3255 29.7509 174.6701 116 G 3.7277 7.7019 122.5251 45.4027 0.0000 171.1078 117 L 4.8284 7.3884 121.0330 52.4878 44.3558 176.6478 118 R 4.0371 8.2272 122.0524 59.5798 30.3772 178.0957 119 K 4.3608 7.8667 117.5868 55.2145 32.2387 175.5230 120 A 4.1871 8.2146 116.1832 52.8084 16.7071 177.3296 121 R 4.6702 7.4902 118.6370 58.6290 37.7400 175.3202 122 R 4.3020 7.7479 118.7040 55.4673 31.0050 175.1204 123 R 4.9160 8.1189 119.9205 53.0317 32.5130 173.2873 124 P 4.1434 0.0000 0.0000 63.0767 31.4999 175.9958 125 Q 3.5280 7.8383 117.8849 55.7619 29.5355 176.7476 126 F 4.8350 7.6307 117.1264 55.4360 39.5913 174.4559 127 S 4.1735 8.0836 118.8421 61.5891 62.8259 176.3931 128 K 4.2985 7.9324 114.6168 57.3379 31.5476 177.4286 129 R 4.1234 8.1799 124.8431 56.6142 29.8666 176.4702 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 3 N 8.42 4.62 0.00 2.77 3.03 0.00 0.00 7.04 6.19 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 4 Q 8.31 4.21 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 5 Y 8.15 4.91 0.00 3.09 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 6 Y 8.55 4.88 0.00 3.14 2.78 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 7 G 7.29 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 0.00 0.00 0.00 8 T 8.17 4.04 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 1.37 0.00 0.00 9 G 7.53 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 0.00 0.00 0.00 0.00 10 R 7.79 4.70 0.00 1.98 1.94 0.00 2.66 0.00 0.00 3.99 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 11 R 7.97 4.53 0.00 1.97 2.01 0.00 3.15 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 12 K 9.39 4.00 0.00 1.90 1.78 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.35 7.81 13 S 7.95 3.70 0.00 4.06 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 14 S 8.00 5.52 0.00 4.04 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 15 A 8.54 4.53 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 16 A 9.93 4.55 1.22 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 0.00 0.00 0.00 17 R 7.87 4.20 0.00 1.49 1.26 0.00 2.97 0.00 0.00 2.97 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 18 V 8.42 3.52 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 0.87 0.00 0.00 0.77 0.00 0.00 19 F 8.12 4.90 0.00 2.61 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 20 I 8.19 4.95 2.21 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 1.65 0.98 1.08 0.00 0.00 21 K 8.39 4.51 0.00 1.93 1.64 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.69 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.54 7.81 22 P 0.00 4.20 0.00 2.01 1.97 0.00 3.72 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 23 G 8.67 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 24 N 8.47 4.01 0.00 2.90 2.82 0.00 0.00 6.75 7.59 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 25 G 8.23 4.15 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 0.00 26 K 7.90 4.61 0.00 1.84 1.93 0.00 1.37 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.45 7.81 27 I 8.27 4.87 1.93 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 1.28 1.05 1.05 0.00 0.00 28 V 8.72 5.23 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 0.90 0.00 0.00 0.92 0.00 0.00 29 I 7.84 4.54 1.75 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 1.34 0.63 0.92 0.00 0.00 30 N 9.06 3.95 0.00 2.20 2.48 0.00 0.00 7.20 7.58 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 31 Q 8.14 3.34 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 32 R 7.48 4.57 0.00 1.97 1.96 0.00 3.17 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.50 0.00 33 S 8.31 5.22 0.00 4.10 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 34 L 8.03 3.74 0.00 1.79 1.71 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.05 4.06 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 2.32 2.40 0.00 36 Q 7.71 4.54 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 37 Y 7.89 4.69 0.00 2.75 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 38 F 9.74 4.41 0.00 2.94 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 39 G 7.43 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 0.00 0.00 0.00 40 R 8.77 4.00 0.00 2.01 2.09 0.00 3.17 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 41 E 8.22 4.56 0.00 1.99 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 2.09 2.27 0.00 42 T 7.36 4.57 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 1.10 0.00 0.00 43 A 8.34 4.52 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 44 R 8.22 4.06 0.00 1.94 2.15 0.00 3.16 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 45 M 7.97 4.24 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 46 V 7.76 3.91 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 0.98 0.00 0.00 47 V 7.69 3.79 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 0.81 0.00 0.00 0.97 0.00 0.00 48 R 7.96 4.21 0.00 2.06 2.21 0.00 3.03 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.71 0.00 49 Q 7.67 4.03 0.00 2.29 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 50 P 0.00 3.74 0.00 1.99 1.60 0.00 3.98 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 51 L 7.90 4.09 0.00 1.81 1.75 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.54 4.62 0.00 2.15 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 2.36 2.65 0.00 53 L 7.32 4.44 0.00 1.61 1.56 0.91 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 54 V 7.99 4.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.95 0.00 0.00 55 D 8.49 4.67 0.00 2.85 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 56 M 8.00 4.34 0.00 2.15 1.30 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 57 V 9.05 3.33 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 0.97 0.00 0.00 0.93 0.00 0.00 58 E 9.20 4.02 0.00 2.15 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 0.00 2.37 2.25 0.00 59 K 8.46 3.90 0.00 1.71 1.85 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.33 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.24 1.53 7.81 60 L 7.29 4.54 0.00 1.50 1.32 0.22 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.64 5.76 0.00 3.00 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 62 L 7.80 4.77 0.00 1.69 1.62 0.92 0.78 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 63 Y 8.38 4.30 0.00 3.15 3.17 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 0.00 64 I 7.84 4.68 1.76 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 1.32 0.66 0.77 0.00 0.00 65 T 6.76 4.53 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 1.22 0.00 0.00 66 V 7.97 4.17 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 0.69 0.00 0.00 0.97 0.00 0.00 67 K 8.84 4.43 0.00 1.86 1.68 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.39 7.81 68 G 9.51 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 69 G 8.29 4.40 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 0.00 70 G 7.73 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 0.00 0.00 0.00 71 I 8.37 2.76 1.54 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 1.11 -0.23 0.14 0.00 0.00 72 S 8.09 4.21 0.00 3.79 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 73 G 7.65 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 9.07 4.07 0.00 2.63 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.72 2.86 0.00 75 A 8.34 4.21 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.15 3.56 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 0.00 0.00 0.00 77 A 8.58 4.11 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 78 I 7.56 3.58 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.14 0.87 0.00 0.00 79 R 7.79 3.98 0.00 1.89 1.90 0.00 2.66 0.00 0.00 2.85 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 80 H 7.51 4.75 0.00 3.28 3.32 0.00 5.83 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.65 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 82 I 8.64 3.63 1.92 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 1.39 0.75 0.90 0.00 0.00 83 T 7.81 3.65 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 1.49 0.00 0.00 84 R 8.13 4.05 0.00 2.11 2.18 0.00 2.67 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 85 A 7.65 4.87 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 86 L 7.70 4.64 0.00 1.90 1.66 0.91 0.95 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 87 M 7.75 4.23 0.00 2.07 2.05 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 2.60 2.85 0.00 88 E 7.81 3.81 0.00 1.16 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 1.92 2.15 0.00 89 Y 7.17 4.85 0.00 3.03 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 90 D 7.60 4.82 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.63 4.10 0.00 1.97 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 0.00 2.28 2.38 0.00 92 S 7.81 4.64 0.00 3.76 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 93 L 8.03 5.30 0.00 1.92 2.00 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.88 3.97 0.00 1.85 1.97 0.00 3.19 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 95 S 7.87 4.63 0.00 3.87 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 96 E 9.11 4.75 0.00 2.02 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 0.00 2.21 2.25 0.00 97 L 7.92 4.19 0.00 1.59 1.46 0.56 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.05 4.00 0.00 1.90 1.98 0.00 3.22 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 99 K 8.23 3.98 0.00 1.78 1.87 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 100 A 8.03 4.72 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.51 3.86 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 0.00 0.00 0.00 102 F 7.47 4.68 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.24 3.67 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.99 0.00 0.00 104 T 7.84 4.04 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 0.00 105 R 8.33 3.31 0.00 1.70 1.79 0.00 3.34 0.00 0.00 3.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 106 D 8.26 4.50 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.21 4.02 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 0.00 108 R 7.39 4.13 0.00 1.94 1.94 0.00 2.99 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 109 Q 8.18 4.45 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 110 V 8.21 4.12 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 0.75 0.00 0.00 0.93 0.00 0.00 111 E 8.27 4.59 0.00 1.88 1.76 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 2.17 2.31 0.00 112 R 8.76 3.86 0.00 1.95 1.96 0.00 3.09 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 113 K 8.59 4.02 0.00 1.74 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 114 K 8.54 4.27 0.00 1.86 1.72 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.42 7.81 115 V 8.37 4.09 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 0.70 0.00 0.00 0.94 0.00 0.00 116 G 7.70 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 0.00 0.00 0.00 117 L 7.39 4.83 0.00 1.68 1.75 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.23 4.04 0.00 1.97 2.00 0.00 3.33 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 119 K 7.87 4.36 0.00 1.73 1.65 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 120 A 8.21 4.19 1.37 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 0.00 0.00 0.00 121 R 7.49 4.67 0.00 1.70 1.88 0.00 3.31 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 122 R 7.75 4.30 0.00 1.88 1.76 0.00 3.15 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 123 R 8.12 4.92 0.00 1.99 1.90 0.00 3.23 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 124 P 0.00 4.14 0.00 2.03 2.03 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 125 Q 7.84 3.53 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.30 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 126 F 7.63 4.83 0.00 2.90 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 0.00 127 S 8.08 4.17 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 0.00 128 K 7.93 4.30 0.00 1.82 1.85 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.48 7.81 129 R 8.18 4.12 0.00 2.18 1.86 0.00 2.98 0.00 0.00 2.61 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00