NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3896 8.3344 115.4114 57.9522 64.2400 173.7003 2 M 4.0758 8.4086 122.4972 56.1607 29.7264 174.1019 3 Q 4.2544 8.3155 121.4278 56.1324 30.6647 175.7896 4 D 4.5374 7.5776 116.5780 50.8667 42.9374 173.2761 5 P 4.1189 0.0000 0.0000 65.6462 31.5731 178.1474 6 I 3.6373 7.8398 119.0375 64.1095 37.0535 177.6429 7 A 3.9163 8.3884 121.5442 55.3955 18.0401 178.9177 8 D 4.4171 7.4604 117.2205 57.0647 41.1840 178.0849 9 M 4.0410 7.6640 118.3547 58.7208 32.3614 177.8702 10 L 3.9136 7.8449 119.0151 58.0526 41.7616 179.6794 11 T 3.7956 8.3602 109.6325 64.9435 68.6470 175.9791 12 R 3.8681 8.5331 122.7867 59.0344 29.9458 178.2303 13 I 3.6883 7.8710 119.5147 64.4102 37.2220 178.5182 14 R 3.8667 7.7776 116.2642 59.5906 29.0302 178.4487 15 N 4.4344 8.5926 117.9245 55.7450 38.4718 177.7081 16 G 3.6253 8.1505 107.0090 48.1279 0.0000 175.6388 17 Q 4.0571 8.2770 121.2063 58.6132 28.4121 179.5314 18 A 4.0555 7.8328 120.5562 54.9419 18.6080 178.7422 19 A 4.3155 7.5687 115.6592 51.4328 18.8841 176.8741 20 N 5.0023 7.8228 113.3968 53.2712 36.8312 174.8650 21 K 4.0352 8.1244 117.1834 56.2619 32.6900 176.8621 22 A 4.0479 8.5934 126.6151 55.0056 19.2913 176.3678 23 A 4.8939 7.2040 120.8803 51.1056 22.5368 174.8620 24 V 4.3890 7.6868 111.7157 62.3537 35.0860 172.2565 25 T 5.8573 8.9383 111.7173 58.7255 72.2266 172.1687 26 M 4.2838 8.0141 119.2992 54.1546 33.5056 172.6447 27 P 5.2197 0.0000 0.0000 62.5360 31.5268 176.2080 28 S 4.5750 8.6803 120.0842 58.2994 64.2864 173.3982 29 S 4.5016 8.6740 111.1157 56.6155 64.1428 176.4842 30 K 3.9667 7.3902 118.9014 59.4321 32.5204 177.6993 31 L 3.8934 7.8928 119.5063 58.2742 42.3476 179.3918 32 K 3.8077 7.5170 117.5522 59.6927 31.9913 179.0777 33 V 3.3645 8.0486 118.0686 65.8464 31.4415 177.4400 34 A 3.9559 7.8896 120.3308 55.6199 18.2869 179.5903 35 I 3.5644 7.7913 117.5211 64.5609 37.2313 178.5391 36 A 3.7814 7.7648 121.4433 54.8203 17.9957 179.1698 37 N 4.2102 8.0204 115.9162 56.8615 39.0464 176.9392 38 V 3.5993 7.6240 119.5911 66.4011 31.5049 177.8897 39 L 4.2264 7.8436 118.1302 57.6704 41.3732 179.6087 40 K 4.2046 7.9177 119.0424 59.6403 32.1113 178.8903 41 E 4.0788 8.8100 117.7632 58.8306 29.4371 178.2136 42 E 4.3086 8.5036 116.6549 55.3461 31.0411 175.4328 43 G 3.4701 7.8560 106.2222 46.5929 0.0000 173.9292 44 F 4.9576 8.6349 113.9252 56.7176 41.6315 176.2336 45 I 4.6809 7.5924 112.8848 59.1226 40.2809 174.2011 46 E 4.0510 8.1942 124.3757 58.3618 29.5943 176.6463 47 D 4.7116 7.9642 114.9214 54.8305 46.1498 173.7027 48 F 5.7805 8.2856 111.8429 57.0320 40.9483 173.9165 49 K 4.3707 8.3701 121.1179 55.2660 35.3214 175.2161 50 V 4.5671 8.5724 128.1053 61.1691 31.3887 175.4076 51 E 4.2573 8.5471 129.6102 55.9624 32.3811 174.0013 52 G 4.4305 8.6628 108.8194 45.8104 0.0000 171.8122 53 D 4.5405 7.8469 118.4975 55.9106 42.7436 177.7327 54 T 3.9044 7.8264 115.0883 64.4857 68.0352 175.2792 55 K 4.3725 7.7542 124.5850 53.8646 32.1224 173.5821 56 P 4.7215 0.0000 0.0000 63.0085 32.6766 175.7639 57 E 5.1139 8.7399 122.8028 54.4554 33.5221 175.1548 58 L 4.6830 8.0674 120.0259 54.4895 43.7735 174.1277 59 E 4.5477 9.4713 126.1188 56.2981 27.0392 175.0183 60 L 4.8572 8.8867 126.0662 53.3184 41.8562 173.6602 61 T 4.2733 8.5416 113.4720 61.2889 69.7504 174.6056 62 L 4.5467 8.2655 125.4861 54.4421 42.9913 176.3110 63 K 4.8562 8.4919 121.4699 54.9485 35.8041 174.4902 64 Y 5.0464 8.6245 123.1838 55.9195 42.3625 174.6062 65 F 4.7850 9.0126 129.8756 59.8752 39.0085 176.4144 66 Q 4.3590 8.3948 122.7172 55.6229 27.7645 177.4684 67 G 3.8966 8.4353 111.8103 45.6087 0.0000 171.4609 68 K 4.3559 7.5820 118.6635 55.7626 35.3901 172.6379 69 A 4.5883 8.3224 123.1884 49.9643 20.4280 176.9881 70 V 3.7053 8.0164 123.1128 66.0468 31.5791 176.9271 71 V 3.9945 7.9929 120.9671 61.6811 29.7643 174.9696 72 E 4.1549 8.4817 123.5776 58.4341 30.3036 178.1215 73 S 4.5862 9.0881 114.7329 56.6387 66.4132 173.3479 74 I 4.6793 7.9747 126.5292 60.6834 40.2746 173.5374 75 Q 4.7151 8.4574 127.9215 53.6074 32.8745 175.3099 76 R 3.8398 8.3835 121.2722 57.0159 30.6624 174.3287 77 V 3.9437 8.2531 119.2136 63.3572 32.8630 176.0536 78 S 4.2994 7.6078 118.7207 57.2236 62.3210 174.8307 79 R 3.9529 7.7232 115.5050 55.3458 29.9460 174.1060 80 P 4.3373 0.0000 0.0000 63.0890 31.9947 177.0785 81 G 3.9411 8.6149 104.3242 45.6918 0.0000 173.6627 82 L 4.6189 6.9824 115.7325 54.8363 44.4805 173.4883 83 R 4.2356 7.8693 120.6353 55.9767 31.7029 176.4827 84 I 4.6519 8.0677 119.5815 60.1552 41.4035 174.0190 85 Y 4.7336 8.8480 123.9712 56.1070 40.7989 175.0321 86 K 4.9396 8.3442 121.7114 54.5833 35.8637 176.1552 87 R 4.4257 8.3278 120.1599 54.7830 31.1998 178.1360 88 K 3.6698 8.6351 118.6841 59.6295 32.3532 177.3731 89 D 4.8052 8.0274 116.3407 52.9485 39.5845 176.3078 90 E 4.5454 8.5739 118.9889 56.1029 31.5431 176.2472 91 L 3.8773 8.1357 118.3447 54.4696 41.9311 175.4075 92 P 4.3114 0.0000 0.0000 62.6358 31.9107 176.7106 93 K 4.2385 7.9917 120.5265 53.9919 31.7427 175.6320 94 V 3.1286 7.9151 122.8136 64.8156 32.6714 175.6561 95 M 3.0165 9.4619 124.6379 57.8571 30.2088 176.1639 96 A 3.8690 9.0159 115.3557 53.3271 16.8310 177.7967 97 G 4.1128 8.4369 108.6134 47.3427 0.0000 176.5062 98 L 3.8769 8.3079 118.3412 55.8635 41.7839 176.3684 99 G 4.3093 7.3283 107.0857 43.3438 0.0000 172.0486 100 I 4.8250 8.2449 111.2392 58.9394 40.6157 174.8661 101 A 4.7806 9.7877 127.0701 49.6600 20.7285 174.8831 102 V 3.8938 8.3708 121.3447 64.3124 32.5063 174.9609 103 V 4.8261 8.4571 127.2731 61.0869 35.0375 174.4342 104 S 4.4765 9.4427 123.8209 57.8621 62.8207 173.2556 105 T 4.7647 8.7124 118.6345 60.0358 70.9241 175.8910 106 S 4.3098 8.8046 115.8201 59.9913 62.5377 174.5166 107 K 4.3214 9.1519 117.4980 56.2719 33.0935 176.5265 108 G 4.0174 6.7124 106.2092 44.4284 0.0000 171.8433 109 V 4.4611 7.7155 120.8441 62.0568 31.1545 174.7419 110 M 4.9801 8.2263 125.9136 53.5730 34.7195 174.9483 111 T 4.5138 8.2485 107.9328 60.6505 71.4413 174.0303 112 D 4.2534 8.5433 119.6066 56.7817 38.8894 178.7897 113 R 3.8062 7.9514 118.2802 59.0894 30.4118 177.9412 114 A 3.9252 7.9081 119.4796 55.3325 18.2304 179.1480 115 A 3.9302 8.5064 117.8638 55.1434 18.3716 179.4954 116 R 3.8288 8.1828 116.3000 60.0468 30.2208 178.3935 117 Q 4.0960 8.0821 117.0768 58.9035 28.5836 178.2930 118 A 4.0766 7.8063 120.6125 53.5376 18.3002 178.0220 119 G 3.8346 8.5733 105.0467 45.5424 0.0000 172.8379 120 L 4.8479 7.6261 117.7155 53.9787 44.0590 174.7145 121 G 4.2654 8.3794 105.5864 45.2865 0.0000 171.3456 122 G 4.8223 7.8595 104.1520 46.4395 0.0000 171.3036 123 E 4.2579 8.7140 121.5622 55.7163 30.4767 177.4453 124 I 4.1728 7.6670 126.9471 62.2605 38.0068 175.6212 125 I 4.5565 8.5405 120.5765 62.5088 41.3852 175.3661 126 C 4.5992 7.5371 113.4525 58.0146 32.5297 172.3745 127 Y 5.0151 8.0544 117.9259 56.6559 38.8837 174.5479 128 V 4.1185 8.3364 124.6718 60.8010 31.2940 175.8480 129 A 4.1829 8.1443 128.4312 51.9852 18.1569 177.5291 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 S 8.33 4.39 0.00 3.99 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 2 M 8.41 4.08 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 3 Q 8.32 4.25 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.59 0.00 4 D 7.58 4.54 0.00 2.64 2.46 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 0.00 5 P 0.00 4.12 0.00 2.28 2.27 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 6 I 7.84 3.64 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 1.53 0.83 0.85 0.00 0.00 7 A 8.39 3.92 1.41 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 0.00 0.00 8 D 7.46 4.42 0.00 2.52 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 9 M 7.66 4.04 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 10 L 7.84 3.91 0.00 1.68 1.64 0.83 0.60 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 11 T 8.36 3.80 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 1.24 0.00 0.00 12 R 8.53 3.87 0.00 2.17 1.98 0.00 3.30 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 13 I 7.87 3.69 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.62 0.87 0.00 0.00 14 R 7.78 3.87 0.00 2.04 2.14 0.00 2.76 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 15 N 8.59 4.43 0.00 2.88 2.92 0.00 0.00 6.95 7.56 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 16 G 8.15 3.63 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 0.00 0.00 0.00 17 Q 8.28 4.06 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 18 A 7.83 4.06 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 19 A 7.57 4.32 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 20 N 7.82 5.00 0.00 2.81 2.74 0.00 0.00 6.99 7.50 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 21 K 8.12 4.04 0.00 1.85 1.94 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.57 7.81 22 A 8.59 4.05 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 23 A 7.20 4.89 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 24 V 7.69 4.39 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 0.74 0.00 0.00 0.95 0.00 0.00 25 T 8.94 5.86 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 1.24 0.00 0.00 26 M 8.01 4.28 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 27 P 0.00 5.22 0.00 2.10 2.15 0.00 3.37 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 28 S 8.68 4.58 0.00 3.92 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 0.00 29 S 8.67 4.50 0.00 3.96 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 30 K 7.39 3.97 0.00 1.86 1.72 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.57 7.81 31 L 7.89 3.89 0.00 1.78 1.64 0.91 0.52 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 32 K 7.52 3.81 0.00 2.23 1.82 0.00 1.81 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 V 8.05 3.36 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 1.16 0.00 0.00 1.01 0.00 0.00 34 A 7.89 3.96 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 35 I 7.79 3.56 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 0.85 0.00 0.00 36 A 7.76 3.78 0.81 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 0.00 0.00 37 N 8.02 4.21 0.00 2.79 2.99 0.00 0.00 6.79 7.30 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 38 V 7.62 3.60 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 1.00 0.00 0.00 39 L 7.84 4.23 0.00 1.93 1.81 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.92 4.20 0.00 2.09 2.21 0.00 1.93 0.00 0.00 1.96 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.60 7.81 41 E 8.81 4.08 0.00 1.97 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 0.00 2.68 2.55 0.00 42 E 8.50 4.31 0.00 2.15 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 2.55 2.57 0.00 43 G 7.86 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 0.00 0.00 0.00 44 F 8.63 4.96 0.00 3.18 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 45 I 7.59 4.68 2.14 0.00 0.00 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 1.61 0.58 0.97 0.00 0.00 46 E 8.19 4.05 0.00 2.19 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 0.00 2.45 2.52 0.00 47 D 7.96 4.71 0.00 2.79 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 48 F 8.29 5.78 0.00 3.14 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 49 K 8.37 4.37 0.00 1.79 1.89 0.00 1.44 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.48 7.81 50 V 8.57 4.57 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 1.09 0.00 0.00 1.05 0.00 0.00 51 E 8.55 4.26 0.00 2.10 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 2.37 2.32 0.00 52 G 8.66 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.54 0.00 2.65 2.58 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 0.00 54 T 7.83 3.90 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 55 K 7.75 4.37 0.00 1.82 1.76 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.35 7.81 56 P 0.00 4.72 0.00 2.13 2.20 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 57 E 8.74 5.11 0.00 1.98 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 2.25 2.12 0.00 58 L 8.07 4.68 0.00 1.81 1.52 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.47 4.55 0.00 2.21 1.95 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 2.36 2.36 0.00 60 L 8.89 4.86 0.00 1.90 1.59 0.86 0.63 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 61 T 8.54 4.27 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 62 L 8.27 4.55 0.00 1.98 1.66 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.49 4.86 0.00 1.90 1.79 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.52 7.81 64 Y 8.62 5.05 0.00 3.04 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 65 F 9.01 4.79 0.00 3.00 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 66 Q 8.39 4.36 0.00 1.75 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.50 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 67 G 8.44 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 0.00 0.00 0.00 68 K 7.58 4.36 0.00 1.86 1.74 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.52 7.81 69 A 8.32 4.59 1.01 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 70 V 8.02 3.71 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 0.91 0.00 0.00 1.02 0.00 0.00 71 V 7.99 3.99 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 0.72 0.00 0.00 0.96 0.00 0.00 72 E 8.48 4.15 0.00 2.14 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 2.28 2.27 0.00 73 S 9.09 4.59 0.00 3.79 3.67 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 0.00 0.00 0.00 0.00 74 I 7.97 4.68 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.09 0.83 0.00 0.00 75 Q 8.46 4.72 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 76 R 8.38 3.84 0.00 1.71 1.73 0.00 3.13 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 77 V 8.25 3.94 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 0.55 0.00 0.00 -0.28 0.00 0.00 78 S 7.61 4.30 0.00 3.70 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 79 R 7.72 3.95 0.00 1.90 1.87 0.00 3.03 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 80 P 0.00 4.34 0.00 2.22 2.23 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 81 G 8.61 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 82 L 6.98 4.62 0.00 1.57 1.51 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.87 4.24 0.00 2.01 1.63 0.00 3.33 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 84 I 8.07 4.65 1.74 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 1.19 1.24 0.90 0.00 0.00 85 Y 8.85 4.73 0.00 2.76 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 86 K 8.34 4.94 0.00 1.76 1.72 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.56 7.81 87 R 8.33 4.43 0.00 1.98 1.93 0.00 3.21 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 1.64 1.88 0.00 88 K 8.64 3.67 0.00 1.87 1.89 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 D 8.03 4.81 0.00 2.78 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 90 E 8.57 4.55 0.00 2.11 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 2.24 2.24 0.00 91 L 8.14 3.88 0.00 1.62 1.66 0.97 1.09 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 92 P 0.00 4.31 0.00 1.85 2.01 0.00 3.74 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 1.89 2.08 0.00 93 K 7.99 4.24 0.00 1.68 1.74 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.35 7.81 94 V 7.92 3.13 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 0.91 0.00 0.00 0.60 0.00 0.00 95 M 9.46 3.02 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 96 A 9.02 3.87 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 97 G 8.44 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 98 L 8.31 3.88 0.00 1.67 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.33 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 0.00 100 I 8.24 4.83 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 1.14 0.00 0.00 101 A 9.79 4.78 1.18 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 0.00 102 V 8.37 3.89 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 0.87 0.00 0.00 0.91 0.00 0.00 103 V 8.46 4.83 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 0.96 0.00 0.00 1.04 0.00 0.00 104 S 9.44 4.48 0.00 3.90 3.84 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 0.00 105 T 8.71 4.76 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 1.26 0.00 0.00 106 S 8.80 4.31 0.00 3.87 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 0.00 107 K 9.15 4.32 0.00 1.82 1.84 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 108 G 6.71 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 0.00 109 V 7.72 4.46 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 0.83 0.00 0.00 0.93 0.00 0.00 110 M 8.23 4.98 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 111 T 8.25 4.51 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 1.28 0.00 0.00 112 D 8.54 4.25 0.00 2.90 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 0.00 113 R 7.95 3.81 0.00 1.85 2.01 0.00 3.35 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 114 A 7.91 3.93 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 0.00 115 A 8.51 3.93 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 0.00 116 R 8.18 3.83 0.00 1.87 2.20 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 117 Q 8.08 4.10 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 118 A 7.81 4.08 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 0.00 119 G 8.57 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 0.00 120 L 7.63 4.85 0.00 1.59 1.61 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.38 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 0.00 122 G 7.86 4.82 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 0.00 0.00 0.00 123 E 8.71 4.26 0.00 1.92 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 2.15 1.89 0.00 124 I 7.67 4.17 1.82 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 1.28 0.64 1.11 0.00 0.00 125 I 8.54 4.56 1.96 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 1.22 0.81 0.85 0.00 0.00 126 C 7.54 4.60 0.00 2.99 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 0.00 127 Y 8.05 5.02 0.00 2.86 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 0.00 128 V 8.34 4.12 1.63 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 -0.47 0.00 0.00 0.71 0.00 0.00 129 A 8.14 4.18 1.24 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 0.00 0.00 0.00