NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4023 8.3344 115.2906 58.2571 64.7658 174.6630 2 N 4.2825 7.0909 117.9219 55.6928 40.3055 175.7299 3 I 3.5991 8.6541 119.1294 64.1141 39.2838 175.7003 4 I 4.2759 7.3371 118.4423 61.5861 38.2539 173.6928 5 K 4.1238 8.7241 124.2462 58.7273 31.7039 178.3770 6 Q 4.0326 7.5214 116.3361 59.1496 28.8586 178.0350 7 L 4.4321 7.4314 120.5982 57.0369 42.2569 178.2043 8 E 4.0674 8.0521 119.6342 59.0981 29.6575 178.2015 9 Q 4.0303 9.2365 118.2862 58.6086 28.4184 177.8778 10 E 3.9637 8.2595 121.5255 58.3791 29.3740 177.5415 11 Q 4.4422 7.9895 115.8225 56.0205 30.9590 175.9696 12 M 3.7812 7.1524 117.2788 55.4464 32.5162 175.7527 13 K 4.6449 8.1653 119.7844 55.5019 35.2308 175.8560 14 Q 4.5424 8.4133 117.2545 55.9904 29.2911 175.9020 15 D 4.4631 7.9556 116.1186 54.6573 41.4958 176.3393 16 V 3.8480 7.4290 112.4506 60.4210 31.6368 174.2495 17 P 4.5116 0.0000 0.0000 61.4906 33.2842 175.6889 18 S 4.2642 8.3201 112.2086 59.4119 62.6521 173.3725 19 F 5.3732 7.7909 120.7836 57.4515 42.5520 173.6138 20 R 4.3776 7.3758 119.8376 55.9432 31.9218 172.9688 21 P 4.4138 0.0000 0.0000 63.5891 31.3981 176.8140 22 G 3.9336 7.4085 106.9433 45.9193 0.0000 173.5682 23 D 4.5791 7.8098 119.4216 55.2207 41.4920 177.4432 24 T 4.1248 8.8354 116.9718 65.7690 69.5569 175.2647 25 V 3.5358 7.6533 118.0778 60.9172 31.5725 171.2419 26 E 4.9641 7.9770 120.6724 54.0628 30.0209 173.4964 27 V 3.8912 8.2958 123.1932 62.6932 33.0922 174.5756 28 K 4.8878 8.6087 126.4147 54.9650 34.6117 175.8424 29 V 5.2947 8.3807 118.4922 58.4710 34.8526 175.6242 30 W 5.1512 8.5087 122.4836 57.1006 29.6312 176.4611 31 V 4.2930 8.1803 116.5829 62.0587 34.3425 175.9728 32 V 3.5912 7.8721 123.8598 62.0463 31.4744 171.4170 33 E 3.6363 7.7873 120.6147 57.0919 28.4937 173.1906 34 G 3.5457 8.4643 104.5583 46.0375 0.0000 173.2287 35 S 4.5989 8.2853 115.0771 57.6315 64.3405 174.9569 36 K 4.4444 6.9952 121.6595 56.7343 33.8804 177.0962 37 K 4.1498 8.5031 118.2255 57.8097 34.6979 174.9468 38 R 3.8296 7.4317 117.4839 55.8152 30.0190 174.7229 39 L 5.0336 8.2329 118.2220 53.1368 43.5775 176.0353 40 Q 4.4260 9.3019 126.6560 55.5647 30.3464 174.8435 41 A 5.0021 8.6041 127.3367 51.3688 20.7028 177.3300 42 F 4.7010 9.3784 122.1361 56.8539 39.9748 171.7939 43 E 4.3075 8.3640 120.9853 55.4250 29.7975 174.8246 44 G 4.1612 8.4160 119.1842 45.3045 0.0000 172.9550 45 V 4.4862 8.7037 125.4154 61.4645 34.4907 175.3228 46 V 4.1066 7.8108 121.3614 62.0766 31.0574 176.5898 47 I 4.2542 8.6849 116.2480 60.4281 39.5617 174.5324 48 A 4.9249 7.3801 121.6193 51.0084 22.0196 174.0840 49 I 4.4649 7.8393 114.0766 59.9929 42.1001 175.1674 50 R 4.1849 8.9129 121.6753 56.2253 28.6965 177.4576 51 N 4.2759 10.2060 107.3586 53.3368 34.5877 174.7149 52 R 4.6452 7.9549 110.0391 55.2718 33.1137 178.3510 53 G 3.6300 8.1059 107.6790 46.2697 0.0000 175.5389 54 L 3.8746 8.7565 122.2875 58.1447 42.0465 177.2938 55 H 4.7445 7.7901 115.4808 55.6508 29.3252 175.2613 56 S 4.7748 8.5794 117.5431 57.5381 67.4419 173.7661 57 A 5.9400 8.7104 124.7447 49.9953 21.8227 174.5628 58 F 4.8240 8.9440 113.1810 59.2591 41.6281 174.5766 59 T 3.3475 8.0005 126.4271 63.2087 64.7733 169.6914 60 V 4.9088 9.2665 125.9055 60.9199 34.8188 174.1848 61 R 4.9839 8.5609 126.0942 55.3723 31.7478 176.3682 62 K 3.9507 8.3426 121.3664 56.9109 34.5808 176.3256 63 I 3.1793 7.6986 115.8632 62.0592 34.1041 174.9899 64 S 4.5661 7.5427 118.7971 57.5203 62.5990 176.9682 65 N 4.4211 8.6197 117.9721 54.7324 36.7213 173.6784 66 G 4.2197 8.3176 114.0482 45.5877 0.0000 171.2660 67 E 4.2828 7.7896 119.3082 54.6247 30.5068 176.7167 68 G 3.8133 8.5434 112.6302 45.3449 0.0000 173.2063 69 V 4.5874 8.2545 116.3929 59.5904 35.3355 174.4904 70 E 5.1272 8.5872 122.7937 54.9612 32.2620 174.1493 71 R 4.2410 9.0200 127.7061 54.5264 32.8786 175.0416 72 V 4.5604 7.7015 118.9173 58.9201 31.9326 175.0561 73 F 4.3035 7.6950 124.3639 56.8746 40.5536 174.4137 74 Q 5.5050 7.6288 113.9177 58.6193 28.1525 179.4993 75 T 2.7043 6.1055 110.8212 65.0410 71.5876 173.9591 76 H 4.5715 7.5596 123.8512 56.2950 28.8194 175.6733 77 S 4.6852 7.3745 112.6872 55.5509 65.2739 172.2615 78 P 3.9123 0.0000 0.0000 65.8112 31.3288 178.8568 79 V 3.0311 7.5625 110.8201 64.0974 31.6847 178.6619 80 V 3.2537 7.4452 118.7193 63.2570 32.5961 179.0202 81 D 3.8463 7.6304 116.8116 54.9637 41.9696 176.5233 82 S 4.5882 6.1375 111.3905 57.7330 65.6728 173.1594 83 I 4.1387 7.6969 118.0763 60.7298 39.7692 173.8082 84 S 4.7036 8.3972 127.7460 58.1190 64.0360 172.9209 85 V 4.6206 8.3754 112.6089 60.8883 36.9252 178.3758 86 K 3.5958 8.5914 116.9738 57.2753 31.4731 176.5051 87 R 4.7198 9.0030 125.5491 55.2338 32.9319 173.9910 88 R 5.0776 8.0307 122.5051 54.0322 31.7508 175.3615 89 G 4.5206 8.5995 108.0117 44.3126 0.0000 171.4286 90 A 4.5518 8.5556 122.7220 51.3725 19.3109 177.2189 91 V 4.0336 7.9958 118.7800 64.1703 34.4675 175.8636 92 R 3.7163 8.5520 115.0882 56.0143 27.3357 174.5980 93 K 4.2747 7.3322 115.1331 56.0294 35.4421 174.3367 94 A 4.2504 8.6906 126.0487 53.9079 19.3077 177.9811 95 K 4.5894 7.6347 113.0462 54.6842 35.0834 176.9010 96 L 4.8927 9.0679 125.1052 54.5081 41.9390 178.3141 97 Y 4.5157 7.6589 117.9211 60.9543 38.4679 178.7506 98 Y 4.2241 8.1855 117.3252 59.5898 38.3701 176.4289 99 L 3.7517 6.6800 119.4958 55.5508 43.5807 177.8192 100 R 4.1532 7.5673 118.2180 56.7341 28.7116 178.6131 101 E 4.0320 9.3389 131.1984 57.9814 28.8102 176.2083 102 R 4.4599 8.0406 121.3123 57.9232 35.7393 177.2449 103 T 3.4657 7.8353 111.6178 62.1851 67.2558 171.3210 104 G 4.1003 8.3580 110.7264 46.9933 0.0000 173.5614 105 K 4.1188 8.9205 124.0639 57.6425 30.6580 178.3059 106 A 4.0970 7.8641 117.9000 53.9194 18.7657 178.0082 107 A 4.2189 8.0642 118.1591 54.2807 19.5573 177.6625 108 R 3.5723 6.8517 114.4650 54.0483 28.6484 175.8879 109 I 4.3150 8.0778 125.5145 59.2058 38.2955 176.0163 110 K 3.9874 8.7243 127.5965 56.6522 32.8002 176.8825 111 E 4.1391 8.9412 123.2116 56.8387 29.7263 176.5028 112 R 3.8677 9.1112 120.5374 55.2671 30.6328 172.5990 113 L 3.4993 7.7001 132.7714 54.7849 41.7994 174.3916 114 N 4.5720 8.6599 122.0520 53.3794 38.7804 175.0695 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 4.40 0.00 3.85 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 2 N 7.09 4.28 0.00 2.84 2.78 0.00 0.00 7.08 6.94 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 3 I 8.65 3.60 1.87 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 1.41 1.45 0.91 0.00 0.00 4 I 7.34 4.28 1.94 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 1.30 0.67 0.92 0.00 0.00 5 K 8.72 4.12 0.00 2.05 1.90 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.35 7.81 6 Q 7.52 4.03 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 7 L 7.43 4.43 0.00 1.77 1.72 0.94 1.05 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 8 E 8.05 4.07 0.00 2.13 1.87 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 2.27 2.33 0.00 9 Q 9.24 4.03 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 10 E 8.26 3.96 0.00 2.31 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 2.29 2.34 0.00 11 Q 7.99 4.44 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 12 M 7.15 3.78 0.00 1.84 2.09 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 2.66 2.22 0.00 13 K 8.17 4.64 0.00 1.81 1.75 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.42 7.81 14 Q 8.41 4.54 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 15 D 7.96 4.46 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.43 3.85 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 0.70 0.00 0.00 0.90 0.00 0.00 17 P 0.00 4.51 0.00 2.14 2.05 0.00 3.61 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 1.83 1.88 0.00 18 S 8.32 4.26 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 19 F 7.79 5.37 0.00 2.85 2.79 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 20 R 7.38 4.38 0.00 1.93 1.84 0.00 3.22 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 21 P 0.00 4.41 0.00 2.15 2.14 0.00 3.70 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 1.94 2.02 0.00 22 G 7.41 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 23 D 7.81 4.58 0.00 2.51 2.59 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 24 T 8.84 4.12 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 1.30 0.00 0.00 25 V 7.65 3.54 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 0.77 0.00 0.00 1.09 0.00 0.00 26 E 7.98 4.96 0.00 2.03 1.80 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 2.33 2.34 0.00 27 V 8.30 3.89 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 -0.13 0.00 0.00 1.20 0.00 0.00 28 K 8.61 4.89 0.00 1.65 1.73 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.62 7.81 29 V 8.38 5.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.10 0.00 0.00 30 W 8.51 5.15 0.00 3.23 3.02 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 31 V 8.18 4.29 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 0.70 0.00 0.00 1.02 0.00 0.00 32 V 7.87 3.59 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 0.89 0.00 0.00 0.94 0.00 0.00 33 E 7.79 3.64 0.00 2.10 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 2.19 2.35 0.00 34 G 8.46 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.29 4.60 0.00 3.83 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 36 K 7.00 4.44 0.00 1.80 1.74 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.49 7.81 37 K 8.50 4.15 0.00 1.37 1.58 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 1.17 7.81 38 R 7.43 3.83 0.00 2.02 2.15 0.00 2.92 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 39 L 8.23 5.03 0.00 1.60 1.75 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.30 4.43 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 41 A 8.60 5.00 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 42 F 9.38 4.70 0.00 3.18 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 43 E 8.36 4.31 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 44 G 8.42 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 0.00 0.00 0.00 0.00 45 V 8.70 4.49 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 46 V 7.81 4.11 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 0.12 0.00 0.00 0.76 0.00 0.00 47 I 8.68 4.25 2.03 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.07 0.97 0.00 0.00 48 A 7.38 4.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.84 4.46 1.81 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 1.54 0.63 0.91 0.00 0.00 50 R 8.91 4.18 0.00 2.07 1.73 0.00 3.28 0.00 0.00 3.45 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 51 N 10.21 4.28 0.00 2.96 3.01 0.00 0.00 6.58 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 52 R 7.95 4.65 0.00 2.17 1.90 0.00 3.52 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 53 G 8.11 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 54 L 8.76 3.87 0.00 1.48 1.55 0.91 0.92 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 55 H 7.79 4.74 0.00 3.22 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.58 4.77 0.00 3.76 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 57 A 8.71 5.94 1.31 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 58 F 8.94 4.82 0.00 3.28 3.29 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 59 T 8.00 3.35 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 1.30 0.00 0.00 60 V 9.27 4.91 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 1.35 0.00 0.00 1.31 0.00 0.00 61 R 8.56 4.98 0.00 1.78 1.82 0.00 3.40 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 62 K 8.34 3.95 0.00 1.48 1.62 0.00 1.23 0.00 0.00 0.91 0.00 0.00 2.64 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 1.18 7.81 63 I 7.70 3.18 1.84 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 1.40 0.51 0.90 0.00 0.00 64 S 7.54 4.57 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.62 4.42 0.00 2.69 2.81 0.00 0.00 6.80 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 66 G 8.32 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 0.00 0.00 0.00 0.00 67 E 7.79 4.28 0.00 1.97 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 2.29 2.25 0.00 68 G 8.54 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 0.00 0.00 0.00 69 V 8.25 4.59 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 0.92 0.00 0.00 1.08 0.00 0.00 70 E 8.59 5.13 0.00 1.92 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 2.19 2.32 0.00 71 R 9.02 4.24 0.00 1.12 0.70 0.00 2.38 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 72 V 7.70 4.56 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 0.76 0.00 0.00 0.83 0.00 0.00 73 F 7.70 4.30 0.00 2.37 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 74 Q 7.63 5.50 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.21 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 75 T 6.11 2.70 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 76 H 7.56 4.57 0.00 3.23 3.24 0.00 5.64 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.37 4.69 0.00 3.85 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 78 P 0.00 3.91 0.00 1.91 1.77 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 79 V 7.56 3.03 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 0.80 0.00 0.00 0.83 0.00 0.00 80 V 7.45 3.25 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 0.51 0.00 0.00 0.52 0.00 0.00 81 D 7.63 3.85 0.00 2.35 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 0.00 0.00 0.00 0.00 82 S 6.14 4.59 0.00 3.87 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 83 I 7.70 4.14 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.14 0.85 0.00 0.00 84 S 8.40 4.70 0.00 3.99 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 85 V 8.38 4.62 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 0.81 0.00 0.00 1.01 0.00 0.00 86 K 8.59 3.60 0.00 1.88 1.44 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.48 7.81 87 R 9.00 4.72 0.00 1.88 1.77 0.00 3.16 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 88 R 8.03 5.08 0.00 2.05 2.04 0.00 3.13 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 89 G 8.60 4.52 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 0.00 0.00 0.00 90 A 8.56 4.55 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 91 V 8.00 4.03 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 0.91 0.00 0.00 0.96 0.00 0.00 92 R 8.55 3.72 0.00 1.97 1.97 0.00 3.30 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 93 K 7.33 4.27 0.00 1.67 1.64 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.34 1.39 7.81 94 A 8.69 4.25 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 95 K 7.63 4.59 0.00 1.23 0.74 0.00 1.46 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.83 1.03 7.81 96 L 9.07 4.89 0.00 1.64 1.35 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.66 4.52 0.00 3.08 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 98 Y 8.19 4.22 0.00 3.13 3.11 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 99 L 6.68 3.75 0.00 0.87 1.45 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.57 4.15 0.00 2.11 1.30 0.00 3.31 0.00 0.00 3.45 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 101 E 9.34 4.03 0.00 2.06 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 0.00 2.29 2.42 0.00 102 R 8.04 4.46 0.00 1.80 1.91 0.00 3.70 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 103 T 7.84 3.47 4.24 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 1.20 0.00 0.00 104 G 8.36 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 0.00 105 K 8.92 4.12 0.00 1.97 1.95 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.36 7.81 106 A 7.86 4.10 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 0.00 107 A 8.06 4.22 1.29 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 0.00 108 R 6.85 3.57 0.00 2.07 1.89 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 109 I 8.08 4.32 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.91 0.00 0.00 110 K 8.72 3.99 0.00 1.76 1.77 0.00 1.59 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.53 7.81 111 E 8.94 4.14 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 112 R 9.11 3.87 0.00 1.71 1.89 0.00 3.39 0.00 0.00 3.31 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 113 L 7.70 3.50 0.00 1.86 1.79 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.66 4.57 0.00 2.74 2.69 0.00 0.00 7.02 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