NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2095 8.1727 120.1326 56.8101 34.8128 174.1602 2 V 4.5628 8.0579 122.0371 60.7938 32.1941 174.6858 3 F 4.2177 9.3059 128.0225 57.4074 40.1738 174.7918 4 E 4.1500 9.0733 122.9599 55.7263 30.8324 176.8128 5 R 3.3376 8.9173 124.2644 60.2839 30.0644 179.5805 6 C 4.3273 8.0298 115.4146 59.6455 34.5928 175.7429 7 E 3.9051 8.0827 120.7395 59.1954 29.2659 178.4730 8 L 3.5218 7.9534 120.0775 57.8407 42.0673 178.5395 9 A 3.9344 7.7852 120.7232 55.5189 18.3100 179.9328 10 R 3.9118 8.0772 116.3164 59.4866 30.1641 179.5570 11 T 3.8408 7.6510 115.2639 66.6519 68.5542 176.8358 12 L 3.8719 8.1146 121.3098 57.3503 41.5433 179.4091 13 K 3.8603 7.9514 119.7223 59.6637 31.9487 178.8691 14 R 3.9492 7.7436 117.4650 59.0327 30.0154 177.4610 15 L 4.3648 7.4490 116.0854 54.0308 41.7387 176.7980 16 G 3.8573 7.7675 106.8215 47.0681 0.0000 175.2139 17 M 3.9146 7.7435 120.8667 56.3268 32.4214 175.8624 18 D 4.4034 7.9981 117.9792 56.0931 41.0611 175.8361 19 G 3.9612 9.3542 115.9325 45.2385 0.0000 171.4201 20 Y 4.1836 8.2056 121.9223 58.8131 38.9502 176.3318 21 R 3.5741 9.0043 126.6339 57.2574 27.8225 177.2442 22 G 3.8123 8.1052 103.4034 45.6620 0.0000 174.0324 23 I 4.0983 7.6636 122.1465 59.0588 38.0682 175.8712 24 S 4.6447 8.3130 120.3384 57.6979 63.9997 174.9409 25 L 4.2400 9.0774 123.4479 58.5687 41.6797 179.4089 26 A 4.2014 8.1513 120.1064 55.0501 18.2350 179.2874 27 N 4.4059 8.1599 115.3979 56.3453 38.5891 177.6258 28 W 4.2239 8.0469 119.8797 59.9714 29.1462 178.3783 29 M 4.1757 8.3969 118.6926 58.5974 31.5281 177.8756 30 C 3.0976 8.1459 118.7669 59.1091 43.7680 175.3766 31 L 3.9592 8.2470 121.7517 58.2488 41.7828 178.7239 32 A 4.1530 8.3472 120.8113 55.0111 18.3045 179.3783 33 K 2.7675 8.0418 117.9581 59.3784 32.0227 179.1562 34 W 4.2548 7.5606 117.2072 59.3020 29.0315 178.3381 35 E 4.3311 8.4121 118.7985 58.6659 29.1675 177.7749 36 S 4.5119 8.0073 109.6110 56.5660 64.6548 174.7631 37 G 3.7883 8.0220 108.9687 46.7119 0.0000 173.1161 38 Y 3.6394 7.6394 113.8695 58.8128 34.6557 168.5706 39 N 5.2749 7.5850 119.0581 51.9699 39.8445 175.4767 40 T 4.1324 8.8653 117.4687 63.7984 69.2078 175.9704 41 R 4.4857 7.8835 116.4658 55.6532 30.1060 176.2255 42 A 4.3155 7.6674 121.9230 52.7510 19.3234 177.0027 43 T 4.9762 8.4018 111.5075 59.9083 72.3173 173.0139 44 N 4.8801 8.8029 122.2727 52.1292 41.8257 172.2935 45 Y 4.5989 8.7067 128.0954 57.2106 40.9134 173.8489 46 N 4.5825 8.4065 124.8777 51.2566 39.1555 175.4702 47 A 3.7319 8.2214 128.2373 54.5900 19.0108 180.0075 48 G 3.5665 8.0417 104.4582 48.0520 0.0000 173.7684 49 D 4.7088 6.9925 113.1685 52.0454 40.2162 175.8226 50 R 3.9636 8.0754 116.1135 57.1357 28.0845 175.7852 51 S 4.9668 7.6438 111.5598 56.9731 66.5332 172.7587 52 T 5.0659 8.7312 116.0278 61.9362 72.6358 172.8062 53 D 5.4313 8.9387 125.6559 53.3964 42.9821 175.0288 54 Y 4.9447 9.1948 121.2589 57.4574 41.4219 177.2653 55 G 4.1235 9.1174 112.1867 45.3918 0.0000 173.4041 56 I 3.9821 8.1709 116.7596 62.9150 37.8341 177.1477 57 F 4.6984 7.9138 115.5425 56.4660 40.0408 175.1041 58 Q 3.6727 7.8721 119.2122 57.1175 26.3982 173.9431 59 I 4.4332 8.1715 119.2526 61.0757 39.3796 176.8668 60 N 5.3450 9.2530 125.9055 53.3628 39.7165 175.8255 61 S 4.6291 9.0203 120.6777 60.4453 63.2710 175.5216 62 R 3.7050 8.6717 122.0549 58.6608 30.4096 177.8607 63 Y 4.1489 7.4941 114.1792 57.9976 40.7951 177.2836 64 W 4.7094 7.9582 119.0981 58.0327 30.2627 173.7213 65 C 5.6194 7.9298 110.5897 53.4523 44.9583 171.7252 66 N 4.8623 8.8227 119.2748 52.0768 39.8724 174.6898 67 D 4.8820 8.4392 122.6307 52.2431 40.5200 177.8305 68 G 4.1262 8.5707 111.1401 46.1092 0.0000 174.9062 69 K 4.3738 7.9650 116.0187 56.7389 33.2136 176.1948 70 T 4.5150 7.7688 117.3745 61.8227 69.3179 172.8919 71 P 4.2402 0.0000 0.0000 63.8688 32.1584 176.4443 72 G 3.8989 8.4673 109.9150 46.4631 0.0000 172.5295 73 A 4.6751 7.5935 117.9987 50.5030 21.3342 177.7024 74 V 4.3366 8.2988 112.3459 59.2164 35.5545 175.8989 75 N 4.9452 8.0421 117.8232 51.8443 37.5682 174.4120 76 A 3.9463 9.0674 125.1003 55.0382 19.1323 178.6332 77 C 4.4886 8.5205 111.3562 57.6090 41.0167 173.0483 78 H 4.1021 7.8122 116.3335 56.6598 26.3747 174.5475 79 L 4.8281 8.3038 117.4458 52.8268 46.2854 176.8448 80 S 4.5878 8.3892 116.0545 58.0375 63.2909 175.9465 81 C 4.1297 8.7589 124.0969 59.5670 40.7314 176.3670 82 S 3.9342 7.7879 114.5920 61.2945 61.6534 175.9253 83 A 4.0844 7.7854 122.5862 54.6379 17.8496 177.9778 84 L 4.4460 7.7366 116.1446 55.1261 41.6588 177.6741 85 L 5.2614 7.7202 116.3977 53.6657 42.4311 176.7053 86 Q 4.3856 7.8311 117.9040 55.3207 29.5743 175.8857 87 D 4.3949 8.4817 119.2675 56.8888 41.1525 176.5941 88 N 4.6103 7.9803 117.7933 53.0648 38.8889 175.2400 89 V 3.9745 8.4910 118.2377 61.6376 31.7390 177.5080 90 A 3.9563 8.5267 123.4015 55.6412 18.2061 179.9418 91 D 4.2937 8.0713 116.3995 57.3905 40.9228 178.6617 92 A 4.1167 7.9805 120.8942 55.1607 18.4522 179.7506 93 V 3.3920 8.2122 116.9007 66.0410 31.4924 178.1629 94 A 3.8716 8.0493 120.5641 55.1775 18.1047 178.8039 95 C 4.2330 8.3505 116.8961 59.5720 38.9119 175.5931 96 A 3.9259 8.1813 122.6681 55.0302 17.6143 179.7257 97 K 3.7480 7.5942 116.2014 59.4384 32.3191 179.2153 98 R 4.0736 7.5987 119.1198 59.3584 29.7333 178.5801 99 V 2.4129 7.5195 118.0641 65.7231 31.1175 177.7733 100 V 3.9236 7.7134 109.5208 62.3640 31.3976 177.7156 101 R 4.3120 7.7095 117.5699 56.6243 30.6625 176.3439 102 D 4.7237 7.2181 119.2165 52.7465 42.0148 175.4524 103 P 4.2156 0.0000 0.0000 66.1454 31.6091 178.2973 104 Q 4.0235 8.2006 116.1894 56.7870 30.0652 177.7240 105 G 3.6736 7.9018 107.0899 47.0105 0.0000 176.5952 106 I 3.5696 7.7975 121.2773 63.3787 37.8975 177.8555 107 R 4.1837 7.4024 117.8012 58.1121 30.0214 177.4996 108 A 4.0569 7.5867 120.6861 54.2901 18.7158 177.5955 109 W 4.6907 8.0429 117.0818 55.4881 29.7869 177.4793 110 V 3.7348 8.7508 123.8147 66.0227 30.8836 177.6222 111 A 4.0477 8.2799 120.1439 54.7406 18.1190 179.1968 112 W 3.9482 8.3638 126.7262 60.6543 30.5746 178.4256 113 R 3.5903 8.1159 116.2993 59.2501 29.6755 178.3876 114 N 4.3699 7.8795 115.1558 55.4622 38.7136 176.7922 115 R 4.1588 7.6611 113.4284 55.9086 30.6292 175.3745 116 C 4.5600 7.0964 115.7738 58.2217 42.7789 174.1929 117 Q 3.4061 6.4873 119.8665 57.2983 28.6352 175.6414 118 N 4.2095 8.7534 120.3701 54.1226 36.1261 173.7342 119 R 4.4833 7.3771 115.8879 54.0800 32.8421 175.7955 120 D 4.5628 8.4028 118.8837 54.0646 40.2934 175.7918 121 V 4.5142 8.1836 118.8512 61.1055 32.3894 178.2750 122 R 4.0195 8.0490 122.8679 59.2717 30.2834 178.4554 123 Q 3.9949 8.2212 115.6115 59.3765 28.4147 178.5017 124 Y 4.3032 7.7877 115.0769 60.1681 38.1111 177.0360 125 V 4.3552 7.8540 110.8757 60.8205 32.5552 175.4525 126 Q 4.1703 7.6197 119.5183 57.0961 28.7741 176.8723 127 G 3.9522 8.9271 110.4180 45.9992 0.0000 174.5321 128 C 4.4235 7.9786 115.8432 56.8186 40.6185 173.9932 129 G 3.8306 8.1582 107.2165 46.7960 0.0000 174.0991 130 V 4.0060 7.8712 118.0217 61.0812 32.0817 175.8610 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 K 8.17 4.21 0.00 1.71 2.17 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.31 7.81 2 V 8.06 4.56 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 0.86 0.00 0.00 0.94 0.00 0.00 3 F 9.31 4.22 0.00 2.87 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 4 E 9.07 4.15 0.00 2.25 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 2.29 2.30 0.00 5 R 8.92 3.34 0.00 1.96 1.89 0.00 3.54 0.00 0.00 3.48 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 6 C 8.03 4.33 0.00 3.00 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 7 E 8.08 3.91 0.00 2.06 2.24 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 2.58 2.42 0.00 8 L 7.95 3.52 0.00 1.36 1.37 -0.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.79 3.93 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 10 R 8.08 3.91 0.00 1.87 1.98 0.00 3.13 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 11 T 7.65 3.84 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 1.15 0.00 0.00 12 L 8.11 3.87 0.00 1.58 1.56 0.93 0.32 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 13 K 7.95 3.86 0.00 1.96 2.03 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 R 7.74 3.95 0.00 2.03 2.02 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.45 4.36 0.00 1.68 1.54 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.77 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 17 M 7.74 3.91 0.00 1.31 1.94 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 18 D 8.00 4.40 0.00 2.67 2.67 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 19 G 9.35 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 0.00 0.00 0.00 20 Y 8.21 4.18 0.00 3.34 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 21 R 9.00 3.57 0.00 1.88 1.84 0.00 3.30 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.29 0.00 22 G 8.11 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 23 I 7.66 4.10 1.78 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.65 -0.19 0.00 0.00 24 S 8.31 4.64 0.00 4.06 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 25 L 9.08 4.24 0.00 2.05 1.81 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.15 4.20 1.52 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 27 N 8.16 4.41 0.00 2.82 2.73 0.00 0.00 7.02 7.74 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 28 W 8.05 4.22 0.00 3.55 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 29 M 8.40 4.18 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.92 0.00 30 C 8.15 3.10 0.00 2.53 3.16 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 31 L 8.25 3.96 0.00 1.84 1.85 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.35 4.15 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 33 K 8.04 2.77 0.00 1.65 1.48 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.61 1.45 7.81 34 W 7.56 4.25 0.00 3.35 3.26 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 35 E 8.41 4.33 0.00 2.02 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 2.56 2.40 0.00 36 S 8.01 4.51 0.00 4.05 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 37 G 8.02 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 38 Y 7.64 3.64 0.00 3.24 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 39 N 7.59 5.27 0.00 2.92 2.78 0.00 0.00 7.03 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 40 T 8.87 4.13 4.45 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 1.48 0.00 0.00 41 R 7.88 4.49 0.00 2.00 2.09 0.00 3.08 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 42 A 7.67 4.32 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 43 T 8.40 4.98 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 1.29 0.00 0.00 44 N 8.80 4.88 0.00 2.88 2.77 0.00 0.00 6.75 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 45 Y 8.71 4.60 0.00 3.07 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 46 N 8.41 4.58 0.00 2.63 2.59 0.00 0.00 6.95 7.64 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 47 A 8.22 3.73 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 48 G 8.04 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.99 4.71 0.00 2.76 2.67 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 50 R 8.08 3.96 0.00 2.05 2.18 0.00 3.16 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 51 S 7.64 4.97 0.00 3.96 3.88 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 52 T 8.73 5.07 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 0.66 0.00 0.00 53 D 8.94 5.43 0.00 2.69 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 54 Y 9.19 4.94 0.00 3.02 2.89 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 55 G 9.12 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.17 3.98 1.68 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.87 0.07 0.00 0.00 57 F 7.91 4.70 0.00 3.21 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 58 Q 7.87 3.67 0.00 2.53 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.18 0.00 0.00 0.00 0.00 0.00 2.50 2.79 0.00 59 I 8.17 4.43 2.15 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.15 1.14 0.00 0.00 60 N 9.25 5.34 0.00 3.03 3.06 0.00 0.00 7.01 7.76 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 61 S 9.02 4.63 0.00 4.19 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 62 R 8.67 3.71 0.00 1.53 1.29 0.00 2.71 0.00 0.00 2.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 63 Y 7.49 4.15 0.00 1.43 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 0.00 0.00 0.00 64 W 7.96 4.71 0.00 3.68 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 65 C 7.93 5.62 0.00 3.22 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 66 N 8.82 4.86 0.00 2.79 2.69 0.00 0.00 7.09 8.47 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 67 D 8.44 4.88 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 68 G 8.57 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 69 K 7.96 4.37 0.00 1.93 1.95 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.48 7.81 70 T 7.77 4.52 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 1.15 0.00 0.00 71 P 0.00 4.24 0.00 2.01 1.97 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.47 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 73 A 7.59 4.68 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 74 V 8.30 4.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.86 0.00 0.00 75 N 8.04 4.95 0.00 2.77 2.63 0.00 0.00 6.93 8.26 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 76 A 9.07 3.95 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 77 C 8.52 4.49 0.00 3.35 3.24 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 78 H 7.81 4.10 0.00 3.32 3.37 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.30 4.83 0.00 1.68 1.50 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.39 4.59 0.00 3.83 3.69 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 81 C 8.76 4.13 0.00 2.22 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 82 S 7.79 3.93 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 83 A 7.79 4.08 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 84 L 7.74 4.45 0.00 1.94 1.82 1.07 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.72 5.26 0.00 1.77 1.71 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.83 4.39 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 7.35 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 87 D 8.48 4.39 0.00 2.65 2.67 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 88 N 7.98 4.61 0.00 2.70 2.76 0.00 0.00 7.02 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 89 V 8.49 3.97 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 0.71 0.00 0.00 0.80 0.00 0.00 90 A 8.53 3.96 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 91 D 8.07 4.29 0.00 2.72 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 92 A 7.98 4.12 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 93 V 8.21 3.39 2.18 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 0.71 0.00 0.00 0.89 0.00 0.00 94 A 8.05 3.87 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 95 C 8.35 4.23 0.00 3.16 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 96 A 8.18 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.59 3.75 0.00 1.66 1.46 0.00 1.31 0.00 0.00 0.90 0.00 0.00 2.24 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.94 7.81 98 R 7.60 4.07 0.00 1.93 2.15 0.00 3.28 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 1.83 1.95 0.00 99 V 7.52 2.41 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 -0.27 0.00 0.00 -0.70 0.00 0.00 100 V 7.71 3.92 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 1.15 0.00 0.00 1.46 0.00 0.00 101 R 7.71 4.31 0.00 2.03 2.03 0.00 3.23 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.14 0.00 102 D 7.22 4.72 0.00 3.05 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 0.00 103 P 0.00 4.22 0.00 2.01 2.13 0.00 3.68 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 2.14 0.00 104 Q 8.20 4.02 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 5.90 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.90 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 0.00 0.00 0.00 106 I 7.80 3.57 1.02 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.24 -0.60 0.00 0.00 107 R 7.40 4.18 0.00 2.11 2.01 0.00 3.27 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 108 A 7.59 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.04 4.69 0.00 3.50 3.24 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 0.00 110 V 8.75 3.73 2.18 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 1.09 0.00 0.00 1.00 0.00 0.00 111 A 8.28 4.05 1.50 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 0.00 112 W 8.36 3.95 0.00 3.53 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 0.00 113 R 8.12 3.59 0.00 2.01 1.96 0.00 3.34 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.01 0.00 114 N 7.88 4.37 0.00 2.67 2.69 0.00 0.00 6.90 7.64 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 0.00 115 R 7.66 4.16 0.00 0.89 1.01 0.00 2.74 0.00 0.00 2.82 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.00 116 C 7.10 4.56 0.00 1.82 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 0.00 117 Q 6.49 3.41 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.58 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 118 N 8.75 4.21 0.00 2.81 2.84 0.00 0.00 6.93 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 0.00 119 R 7.38 4.48 0.00 1.87 1.82 0.00 3.17 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 120 D 8.40 4.56 0.00 2.63 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 0.00 121 V 8.18 4.51 2.38 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 0.98 0.00 0.00 1.06 0.00 0.00 122 R 8.05 4.02 0.00 2.04 1.95 0.00 3.15 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 123 Q 8.22 3.99 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.52 0.00 0.00 0.00 0.00 0.00 2.13 1.52 0.00 124 Y 7.79 4.30 0.00 3.25 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 0.00 125 V 7.85 4.36 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 1.06 0.00 0.00 1.07 0.00 0.00 126 Q 7.62 4.17 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 5.95 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 127 G 8.93 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 0.00 0.00 0.00 128 C 7.98 4.42 0.00 2.97 3.14 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 0.00 129 G 8.16 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 0.00 130 V 7.87 4.01 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 0.76 0.00 0.00 0.96 0.00 0.00