NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8509 8.2133 109.7370 43.6048 0.0000 174.7813 2 S 3.7752 8.8289 117.0217 58.5316 60.1611 170.0356 3 S 4.6121 6.8938 112.8012 57.5846 67.6771 177.0061 4 G 4.4972 7.8919 118.5699 45.7536 0.0000 173.4107 5 S 4.4549 7.5831 120.9209 57.1407 64.1504 173.9362 6 S 4.5400 8.6272 122.4796 57.6946 64.4930 173.2299 7 G 3.7797 8.6396 116.8790 45.3055 0.0000 173.4783 8 L 4.7018 7.5466 121.7281 52.6766 44.1959 175.9220 9 D 4.6252 8.9089 125.6520 54.6074 41.1315 174.2600 10 I 4.9932 8.3059 123.6505 58.9648 40.6066 174.7413 11 V 4.4341 9.1080 128.9763 61.6009 33.8546 174.8636 12 G 4.3267 9.0219 118.2722 45.9731 0.0000 172.8853 13 I 4.8187 8.3131 109.6034 59.8856 40.0675 175.8938 14 W 5.4149 8.9447 122.1833 55.5988 33.0602 174.4577 15 W 5.5542 9.1250 121.5400 54.6550 31.0232 174.9083 16 T 4.7482 8.4111 119.6999 63.2312 68.4070 175.1896 17 V 4.2194 8.4439 119.1729 61.6594 32.5694 175.9142 18 S 4.5401 8.6541 116.6614 59.7941 64.4278 173.8072 19 N 4.3688 7.3966 115.1747 51.0384 40.3693 174.6880 20 F 4.2181 9.0619 119.6024 61.4137 39.4298 177.1919 21 G 3.8519 8.3361 107.7759 48.3196 0.0000 174.0635 22 E 4.2390 7.9129 118.6896 58.5822 29.8506 177.1404 23 I 3.9568 7.2590 119.5074 61.0875 35.2861 174.9256 24 S 4.4666 7.9327 119.1107 57.9435 67.3082 176.2199 25 G 3.7975 8.2943 110.8237 44.7492 0.0000 172.1201 26 T 4.4940 8.2309 115.4989 64.0916 69.4506 173.7257 27 I 5.1590 9.6299 118.8107 59.7264 41.9571 173.4171 28 A 5.1226 9.6969 123.9137 50.2674 22.6893 175.1541 29 I 4.7535 8.5866 120.7933 59.3983 41.0682 174.3027 30 E 4.2219 8.2834 124.4397 55.0644 31.6825 176.0002 31 M 3.8657 8.7700 127.0783 57.7802 32.6772 177.1001 32 D 4.6112 7.0016 116.8731 52.7293 42.6377 177.5055 33 K 4.1932 8.0380 121.3803 55.7236 30.0821 174.7355 34 G 4.0813 9.5786 113.8584 44.9452 0.0000 171.5010 35 A 4.4883 7.7002 120.7509 51.6194 20.1905 176.2359 36 Y 4.8894 8.0990 114.6931 55.6864 42.2415 175.2863 37 I 4.2953 7.9127 120.9729 62.1013 37.4344 175.6497 38 H 4.8595 9.5955 127.9291 54.9331 32.0047 173.4597 39 A 3.8160 8.1540 122.7403 49.6532 21.8342 175.5051 40 L 4.7799 7.8636 119.4720 52.6585 44.6791 177.9686 41 D 3.6905 8.5552 121.8646 56.0726 39.6912 177.3080 42 N 4.2466 7.7712 117.9113 55.3177 38.9491 174.7545 43 G 4.2567 7.1503 107.7470 45.6396 0.0000 172.7935 44 L 5.2007 7.9864 118.5490 52.6571 46.9053 175.2603 45 F 5.1136 8.6725 116.6793 56.5012 42.8684 174.1932 46 T 5.1816 8.5772 116.6324 58.8153 71.6532 172.4207 47 L 4.2551 8.6255 127.7126 54.9073 41.6150 176.9594 48 G 3.9798 9.3824 114.6003 45.6053 0.0000 172.3602 49 A 4.5078 8.4775 123.0306 51.3004 19.0264 175.8804 50 P 4.8905 0.0000 0.0000 62.3731 32.7080 175.4123 51 H 4.6923 8.7290 117.1964 54.9150 29.9310 175.8329 52 R 4.1363 8.4580 122.5811 58.4949 30.4696 176.8205 53 E 4.3891 7.8631 115.7673 55.5767 30.6353 176.6152 54 V 3.7010 8.3389 120.1982 64.9020 31.8767 175.4494 55 D 4.7895 7.4776 120.2697 52.6996 40.7408 174.3611 56 E 4.6933 8.2590 124.8700 54.8571 32.5782 174.6142 57 G 4.0275 8.3146 112.9614 43.1814 0.0000 171.6268 58 P 4.0813 0.0000 0.0000 61.5726 32.3350 176.5381 59 S 4.3838 7.9913 114.2487 56.8945 64.9966 173.3535 60 P 4.1080 0.0000 0.0000 65.3936 30.8489 177.2467 61 P 4.0142 0.0000 0.0000 65.4343 31.3746 177.9423 62 E 3.9572 7.2918 117.6147 58.2274 29.5730 177.4917 63 Q 4.1388 6.7549 116.5731 55.7477 29.7907 176.0091 64 F 5.1714 9.0986 118.9478 56.2831 44.0402 173.9149 65 T 4.7646 8.9126 118.7501 62.2364 69.6100 173.8353 66 A 5.4780 8.7927 129.0393 50.3760 21.2859 176.2653 67 V 4.6747 8.2090 119.8810 61.0927 34.8355 174.6893 68 K 4.2220 8.8766 127.5426 56.9569 32.3046 175.4389 69 L 4.5950 8.6201 120.4529 53.5957 44.8280 176.5439 70 S 4.5816 7.9674 110.2594 59.1693 65.1101 176.2701 71 D 4.1672 9.3928 120.8958 55.4729 38.0949 173.6070 72 S 2.7900 8.1532 108.1663 59.5090 60.7245 171.4522 73 R 5.5215 8.1109 117.5023 53.2986 33.3202 175.8205 74 I 5.1951 8.8552 116.1916 59.1248 41.4639 173.8527 75 A 4.9733 9.1471 126.2949 50.6061 21.3898 175.6815 76 L 5.1056 9.0484 122.6250 53.2355 44.2919 175.4190 77 K 4.8956 8.9427 125.0050 54.1903 34.5814 175.8595 78 S 4.8631 9.6598 123.2728 58.1650 63.6364 175.7195 79 G 3.6034 8.2855 110.3093 48.2510 0.0000 174.6703 80 Y 4.0489 7.8682 116.8436 60.3142 37.9929 176.2796 81 G 4.2512 7.5941 109.3344 45.7470 0.0000 173.1189 82 K 4.9038 8.3824 117.6680 54.6895 37.4292 174.8123 83 Y 5.0891 8.8809 118.7518 56.4713 40.4477 175.9218 84 L 4.5546 9.0623 123.6825 54.9847 42.0073 175.6140 85 G 4.7380 9.3376 112.1869 43.6420 0.0000 170.6916 86 I 4.0985 8.0469 119.1966 60.7706 38.3979 176.0286 87 N 4.7229 8.6859 123.5667 52.4032 39.6279 176.3633 88 S 4.1443 8.5161 114.8666 62.0335 62.9681 176.1685 89 D 4.3922 8.0024 119.0361 56.4021 40.8564 176.8910 90 G 4.2100 7.6934 108.4772 45.3254 0.0000 172.0402 91 L 4.9822 7.9609 121.7023 52.5577 44.3064 175.1888 92 V 3.7748 8.6780 126.9142 63.6463 31.7727 175.2646 93 V 4.7981 8.4543 120.9350 59.6693 36.3015 175.6752 94 G 4.6056 9.0305 108.3406 44.8867 0.0000 173.5317 95 R 4.9053 7.8263 128.0616 53.2240 31.8534 175.3084 96 S 4.6044 7.6189 109.8263 58.0609 65.6519 175.0804 97 D 5.3289 8.9638 126.7494 54.3558 41.1939 175.7241 98 A 4.7157 7.9268 120.1002 50.7504 22.4774 177.6497 99 I 3.6891 7.6756 121.1520 59.8634 36.1076 176.5237 100 G 3.8900 8.2501 112.4563 42.2616 0.0000 169.3357 101 P 4.1410 0.0000 0.0000 65.9466 31.2450 179.2510 102 R 3.8306 7.7787 115.8463 59.1070 29.4059 178.8165 103 E 4.5816 7.2510 116.7741 57.7081 29.5759 177.2214 104 Q 4.1254 7.0396 117.2239 55.8630 29.7215 176.0442 105 W 5.1189 8.5662 119.8493 55.2928 34.0666 174.4671 106 E 4.7809 9.2906 122.2495 54.2775 30.8275 172.5309 107 P 4.4799 0.0000 0.0000 62.5702 32.7475 175.6779 108 V 4.5427 7.7053 118.8477 61.4478 35.6856 174.8384 109 F 5.2725 8.4670 122.6765 56.4843 42.2981 173.9744 110 Q 4.3732 8.3456 124.9637 55.2357 31.2917 174.4795 111 D 4.2418 10.1346 124.5568 55.3186 38.5062 173.9406 112 G 4.1254 8.6022 108.7641 45.4633 0.0000 174.5437 113 K 4.4136 7.9277 118.9262 56.8833 33.7240 175.7287 114 M 4.7774 8.4182 113.8714 55.8159 33.8622 173.8885 115 A 4.4314 7.4007 120.7416 50.5736 23.2554 175.2203 116 L 4.1972 8.4774 124.5783 54.7685 43.0745 175.1049 117 L 4.7796 8.5421 129.2953 53.9511 43.6073 176.5833 118 A 4.5219 9.2355 129.6658 51.3830 19.3080 177.9686 119 S 4.1273 7.9778 113.1364 60.1475 62.4514 173.8891 120 N 4.6663 7.8858 116.2824 52.8477 37.5687 175.0275 121 S 3.6341 7.4285 111.8521 59.6361 61.0171 172.2350 122 C 4.5366 7.2216 114.8598 58.4461 33.2006 175.6373 123 F 5.2472 8.6855 121.6330 56.8674 40.4758 173.6898 124 I 5.3338 8.1657 111.9767 59.9463 40.7134 174.4660 125 R 4.5448 8.6118 119.1228 56.1781 33.1321 172.8666 126 C 5.2442 8.5652 118.3838 57.6724 34.1396 172.4995 127 N 4.9079 7.9560 120.7020 51.4694 40.3799 176.1252 128 E 4.0250 8.6273 117.6302 59.5988 29.6538 178.8238 129 A 4.0557 7.9056 120.9077 54.1545 18.5073 177.6967 130 G 4.2318 7.6122 104.0467 46.8490 0.0000 173.1301 131 D 4.5874 8.2940 120.8232 52.2262 41.3001 175.8577 132 I 4.7100 8.0018 126.7552 60.5533 38.1321 175.2485 133 E 5.3138 9.0227 124.5059 54.3680 33.8405 174.2649 134 A 4.8731 9.2354 123.1921 51.5350 19.3554 177.8752 135 K 4.4587 8.5155 122.6662 54.6676 33.6573 175.8962 136 N 4.5696 8.5480 118.6775 53.0716 39.0306 176.5457 137 K 3.9864 8.4930 118.3997 59.4178 32.2028 178.4028 138 T 3.7634 7.2691 109.7016 61.8915 68.6843 173.6068 139 A 4.3807 8.6489 129.8520 50.3440 18.7015 176.7114 140 G 3.9396 8.1709 111.4101 45.5479 0.0000 173.2426 141 E 3.9169 8.6192 117.9321 59.4583 29.1205 179.5097 142 E 4.1024 8.0168 117.0466 59.0355 29.7124 178.5179 143 E 4.0669 7.3921 117.5930 58.2224 29.5679 177.6996 144 M 4.0143 7.0200 117.8168 55.6088 32.2285 175.6955 145 I 4.4871 7.6849 116.8405 59.1235 40.5716 175.5950 146 K 4.4569 8.3737 121.9507 54.5550 33.9170 175.4734 147 I 4.3709 8.2123 126.8362 60.9888 38.5748 175.4142 148 R 4.8697 9.2888 126.0803 54.3863 33.6987 174.6233 149 S 4.8769 8.7842 118.0830 55.9548 65.5682 173.2348 150 C 4.8929 7.7729 116.5409 56.7116 29.7863 174.2344 151 A 4.3229 8.0295 123.0594 51.9374 19.7498 177.2757 152 E 4.0410 8.5595 118.2784 56.7415 29.5351 177.9668 153 R 4.1801 8.2886 123.6743 55.5321 31.8460 176.0108 154 E 4.6588 8.2256 116.6181 56.9145 30.2116 176.5678 155 T 4.1411 7.7616 120.9520 63.7689 69.2096 174.0776 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 G 8.21 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 2 S 8.83 3.78 0.00 4.11 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 3 S 6.89 4.61 0.00 3.85 3.70 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 4 G 7.89 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.58 4.45 0.00 3.92 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 6 S 8.63 4.54 0.00 4.00 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 7 G 8.64 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 0.00 0.00 0.00 8 L 7.55 4.70 0.00 1.66 1.60 1.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.91 4.63 0.00 2.79 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 10 I 8.31 4.99 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 0.98 0.00 0.00 11 V 9.11 4.43 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 1.04 0.00 0.00 1.00 0.00 0.00 12 G 9.02 4.33 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 0.00 13 I 8.31 4.82 1.66 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 1.45 0.28 0.90 0.00 0.00 14 W 8.94 5.41 0.00 3.26 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 15 W 9.13 5.55 0.00 3.44 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 16 T 8.41 4.75 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 1.36 0.00 0.00 17 V 8.44 4.22 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 0.45 0.00 0.00 1.04 0.00 0.00 18 S 8.65 4.54 0.00 3.93 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 19 N 7.40 4.37 0.00 2.78 2.75 0.00 0.00 6.08 8.15 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 20 F 9.06 4.22 0.00 3.26 3.21 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 0.00 0.00 0.00 0.00 21 G 8.34 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 22 E 7.91 4.24 0.00 2.26 2.28 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 2.40 2.34 0.00 23 I 7.26 3.96 1.68 0.00 0.00 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 1.36 0.72 0.85 0.00 0.00 24 S 7.93 4.47 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 25 G 8.29 3.80 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 0.00 0.00 0.00 26 T 8.23 4.49 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 1.31 0.00 0.00 27 I 9.63 5.16 2.06 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 1.32 0.79 0.92 0.00 0.00 28 A 9.70 5.12 0.56 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 29 I 8.59 4.75 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.94 0.78 0.00 0.00 30 E 8.28 4.22 0.00 1.60 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 1.93 1.47 0.00 31 M 8.77 3.87 0.00 1.98 2.02 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 2.51 2.46 0.00 32 D 7.00 4.61 0.00 2.61 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 33 K 8.04 4.19 0.00 1.67 1.71 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81 34 G 9.58 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 35 A 7.70 4.49 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 36 Y 8.10 4.89 0.00 3.03 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 37 I 7.91 4.30 2.21 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 1.12 0.51 1.19 0.00 0.00 38 H 9.60 4.86 0.00 3.40 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.15 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.86 4.78 0.00 1.62 1.44 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.56 3.69 0.00 2.54 2.45 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 0.00 42 N 7.77 4.25 0.00 2.67 2.87 0.00 0.00 7.41 8.02 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 43 G 7.15 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 0.00 0.00 0.00 0.00 44 L 7.99 5.20 0.00 1.59 1.64 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.67 5.11 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 5.18 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 47 L 8.63 4.26 0.00 1.71 1.61 0.93 1.08 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 48 G 9.38 3.98 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 0.00 0.00 0.00 49 A 8.48 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.89 0.00 2.12 2.10 0.00 3.37 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 51 H 8.73 4.69 0.00 3.19 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.46 4.14 0.00 1.77 1.95 0.00 3.23 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 53 E 7.86 4.39 0.00 2.03 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 2.31 2.31 0.00 54 V 8.34 3.70 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 0.74 0.00 0.00 0.95 0.00 0.00 55 D 7.48 4.79 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.69 0.00 1.93 1.75 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 2.29 2.39 0.00 57 G 8.31 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.08 0.00 1.64 0.94 0.00 3.27 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.49 0.00 59 S 7.99 4.38 0.00 3.93 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 60 P 0.00 4.11 0.00 1.99 2.03 0.00 3.47 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 2.01 2.08 0.00 61 P 0.00 4.01 0.00 1.78 1.48 0.00 3.43 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 62 E 7.29 3.96 0.00 1.91 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 0.00 2.50 2.22 0.00 63 Q 6.75 4.14 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 64 F 9.10 5.17 0.00 2.92 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 65 T 8.91 4.76 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 1.24 0.00 0.00 66 A 8.79 5.48 1.27 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 67 V 8.21 4.67 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 1.00 0.00 0.00 1.10 0.00 0.00 68 K 8.88 4.22 0.00 1.72 1.82 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.29 1.39 7.81 69 L 8.62 4.60 0.00 1.75 1.56 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.97 4.58 0.00 3.83 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 71 D 9.39 4.17 0.00 2.83 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 72 S 8.15 2.79 0.00 3.63 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 73 R 8.11 5.52 0.00 1.83 1.96 0.00 3.48 0.00 0.00 3.39 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.48 0.00 74 I 8.86 5.20 1.98 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 1.67 1.19 0.84 0.00 0.00 75 A 9.15 4.97 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 76 L 9.05 5.11 0.00 1.66 1.53 -0.02 0.41 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 77 K 8.94 4.90 0.00 1.57 1.61 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.63 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 0.97 7.81 78 S 9.66 4.86 0.00 4.38 4.48 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 79 G 8.29 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.87 4.05 0.00 3.02 2.99 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 0.00 0.00 0.00 81 G 7.59 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 0.00 0.00 0.00 0.00 82 K 8.38 4.90 0.00 1.86 1.82 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 83 Y 8.88 5.09 0.00 3.09 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 84 L 9.06 4.55 0.00 2.04 1.85 0.18 0.16 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 85 G 9.34 4.74 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 0.00 0.00 0.00 86 I 8.05 4.10 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.45 0.89 0.00 0.00 87 N 8.69 4.72 0.00 2.96 2.81 0.00 0.00 6.75 7.11 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 88 S 8.52 4.14 0.00 3.85 3.92 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 89 D 8.00 4.39 0.00 2.67 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 90 G 7.69 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.96 4.98 0.00 1.80 1.57 0.98 0.91 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 92 V 8.68 3.77 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 0.55 0.00 0.00 0.98 0.00 0.00 93 V 8.45 4.80 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 0.81 0.00 0.00 1.12 0.00 0.00 94 G 9.03 4.61 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 95 R 7.83 4.91 0.00 1.82 1.88 0.00 3.27 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 96 S 7.62 4.60 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 97 D 8.96 5.33 0.00 2.80 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 98 A 7.93 4.72 1.16 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 99 I 7.68 3.69 1.67 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 0.46 0.19 0.77 0.00 0.00 100 G 8.25 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 0.00 0.00 0.00 101 P 0.00 4.14 0.00 2.06 2.03 0.00 3.52 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 102 R 7.78 3.83 0.00 1.72 2.03 0.00 3.06 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 103 E 7.25 4.58 0.00 2.17 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 2.53 2.35 0.00 104 Q 7.04 4.13 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 105 W 8.57 5.12 0.00 3.54 3.05 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 0.00 0.00 0.00 0.00 106 E 9.29 4.78 0.00 2.04 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 2.16 2.22 0.00 107 P 0.00 4.48 0.00 2.18 2.13 0.00 4.13 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 108 V 7.71 4.54 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 1.12 0.00 0.00 1.11 0.00 0.00 109 F 8.47 5.27 0.00 3.00 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 0.00 110 Q 8.35 4.37 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.43 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 111 D 10.13 4.24 0.00 2.89 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 0.00 112 G 8.60 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 0.00 0.00 0.00 0.00 113 K 7.93 4.41 0.00 1.85 1.73 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.41 7.81 114 M 8.42 4.78 0.00 1.78 1.65 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.29 0.00 115 A 7.40 4.43 0.32 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 0.00 116 L 8.48 4.20 0.00 1.59 1.41 0.67 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.54 4.78 0.00 1.88 1.82 0.23 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.24 4.52 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 0.00 119 S 7.98 4.13 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 0.00 120 N 7.89 4.67 0.00 2.78 2.79 0.00 0.00 6.10 7.62 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 0.00 121 S 7.43 3.63 0.00 3.91 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 0.00 122 C 7.22 4.54 0.00 3.03 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 0.00 123 F 8.69 5.25 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 0.00 124 I 8.17 5.33 1.90 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.60 1.14 0.00 0.00 125 R 8.61 4.54 0.00 1.86 2.23 0.00 2.71 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 126 C 8.57 5.24 0.00 2.93 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 0.00 127 N 7.96 4.91 0.00 2.83 2.75 0.00 0.00 7.51 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 0.00 128 E 8.63 4.03 0.00 1.96 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 2.31 2.30 0.00 129 A 7.91 4.06 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 0.00 130 G 7.61 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 0.00 0.00 0.00 0.00 131 D 8.29 4.59 0.00 2.80 2.65 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 0.00 132 I 8.00 4.71 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.93 0.00 0.00 133 E 9.02 5.31 0.00 2.17 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 2.20 2.31 0.00 134 A 9.24 4.87 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 0.00 135 K 8.52 4.46 0.00 1.94 1.84 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.59 7.81 136 N 8.55 4.57 0.00 2.85 2.78 0.00 0.00 6.82 7.68 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 0.00 137 K 8.49 3.99 0.00 1.71 1.78 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.37 7.81 138 T 7.27 3.76 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 1.23 0.00 0.00 139 A 8.65 4.38 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.17 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 0.00 141 E 8.62 3.92 0.00 2.00 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 2.37 2.38 0.00 142 E 8.02 4.10 0.00 1.90 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 2.37 0.00 143 E 7.39 4.07 0.00 2.22 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 0.00 2.32 2.50 0.00 144 M 7.02 4.01 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.78 0.00 145 I 7.68 4.49 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.86 0.00 0.00 146 K 8.37 4.46 0.00 1.64 1.75 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.31 7.81 147 I 8.21 4.37 1.96 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 1.30 1.13 0.92 0.00 0.00 148 R 9.29 4.87 0.00 1.86 1.97 0.00 3.11 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 149 S 8.78 4.88 0.00 2.95 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 0.00 150 C 7.77 4.89 0.00 2.06 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 0.00 151 A 8.03 4.32 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 0.00 152 E 8.56 4.04 0.00 1.99 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 2.30 2.32 0.00 153 R 8.29 4.18 0.00 1.67 1.62 0.00 2.46 0.00 0.00 2.98 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.59 0.00 154 E 8.23 4.66 0.00 1.79 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 2.07 2.10 0.00 155 T 7.76 4.14 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 1.16 0.00 0.00