NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3430 8.1593 110.9415 61.2188 70.8172 174.3171 3 T 3.9589 7.5724 113.5373 59.3474 70.8209 172.4519 4 P 4.2532 0.0000 0.0000 66.4895 31.4033 179.8135 5 S 4.3757 7.9538 113.3645 60.8931 62.4999 176.2900 6 R 4.0519 7.8403 120.6718 59.1766 29.7427 179.3353 7 R 3.9852 8.1324 118.2201 59.0841 30.0474 179.0430 8 R 3.9485 8.1033 118.6179 59.5084 30.1463 178.5991 9 L 4.2641 8.1743 118.7430 58.0401 41.5422 179.5146 10 M 4.2283 8.1931 118.8555 58.4644 31.8901 178.9890 11 R 4.0734 7.9749 117.8752 59.2475 30.2250 178.7470 12 D 4.4904 8.7300 119.3259 57.3793 40.8257 178.7093 13 F 4.4413 8.6785 121.2256 61.1223 39.4575 176.9801 14 K 3.8551 8.3115 119.3304 59.6977 31.9254 178.8817 15 K 3.9983 8.2544 118.6272 59.3863 31.7413 179.1961 16 L 4.0044 7.8309 119.6757 57.9780 42.0153 178.7070 17 Q 3.9688 7.6548 117.4190 58.5367 28.8253 177.7875 18 E 4.2112 7.8907 118.6775 58.2618 30.8211 177.3195 19 D 4.6915 7.5461 116.9871 51.7400 41.4303 171.4886 20 P 4.5037 0.0000 0.0000 60.8520 32.7996 175.7440 21 P 4.3434 0.0000 0.0000 62.0115 32.0087 175.6674 22 A 3.9791 8.4644 123.8039 53.6101 18.9612 177.6116 23 G 3.8130 8.8388 108.5761 46.1135 0.0000 172.7667 24 V 4.9394 7.3511 118.5593 60.8168 34.2985 174.6795 25 S 4.6875 8.4101 120.8786 57.4194 66.6180 173.2204 26 G 4.6144 8.5643 105.5213 46.4567 0.0000 172.3889 27 A 4.4853 8.5960 122.0860 49.3613 23.0888 174.1912 28 P 4.0742 0.0000 0.0000 62.0954 32.2711 176.5876 29 T 3.8666 9.0565 113.3916 61.6767 69.0928 174.9501 30 E 3.9452 8.6939 124.4578 58.1819 29.7737 176.8073 31 D 4.6626 7.7449 115.5877 53.5557 40.8221 175.9698 32 N 4.5293 7.8975 118.8653 52.7962 40.3887 174.4824 33 I 3.6426 8.3656 127.3070 63.8249 38.4249 176.7575 34 L 4.4464 8.0586 119.0688 56.5814 42.7994 176.5288 35 T 5.1518 8.4036 116.8097 61.6353 71.6262 173.4464 36 W 5.2115 9.4491 125.8837 54.8477 33.4803 173.9866 37 E 5.2471 9.2718 120.1917 54.9758 32.9143 173.9056 38 A 5.4062 9.3075 126.6691 50.7171 24.0601 174.6671 39 I 5.2510 9.0501 119.0492 59.8187 41.5211 174.9307 40 I 4.9997 8.8514 127.1457 59.5550 39.9856 174.8192 41 F 5.4258 9.3210 127.1338 56.5689 39.9504 176.1365 42 G 4.7545 9.1919 111.1368 45.4315 0.0000 171.5052 43 P 4.3268 0.0000 0.0000 64.1256 31.6859 177.3784 44 Q 3.7987 8.3960 121.4629 58.5440 29.2830 179.4668 45 E 4.7556 7.9278 117.7269 56.6111 30.4610 175.6380 46 T 4.8570 7.4891 107.7782 58.6970 71.8583 172.9305 47 P 4.2685 0.0000 0.0000 65.0913 31.4547 177.0195 48 F 4.4415 8.3613 116.9574 57.1004 39.3004 174.9180 49 E 4.0876 8.0125 122.0417 58.3089 29.5635 176.8710 50 D 4.7153 9.1317 124.0108 54.2199 38.6323 174.3696 51 G 3.3228 7.8010 107.2980 46.2484 0.0000 173.3193 52 T 4.8938 8.1194 120.6629 61.3621 68.7618 171.7350 53 F 4.8507 8.8046 123.1078 56.3889 40.9093 174.5577 54 K 5.0735 9.6829 126.3049 55.7068 33.6250 175.4436 55 L 5.3347 9.3212 126.3132 52.9875 46.3559 175.1012 56 S 5.1758 9.2227 115.5867 56.5464 65.5019 172.7700 57 L 4.8834 8.6035 125.3403 52.9819 45.0590 175.1106 58 E 4.8755 8.7325 124.3752 54.6532 31.5224 175.4113 59 F 4.8801 9.3921 124.1837 55.9890 41.5465 175.4214 60 T 4.6343 8.1782 110.7865 59.8138 71.1883 174.5443 61 E 4.3140 8.5977 119.1128 57.9850 29.7862 177.7219 62 E 4.2958 8.1776 118.2963 57.1305 30.2040 176.0946 63 Y 4.7004 7.8276 121.8400 57.1774 38.9961 174.3028 64 P 3.8178 0.0000 0.0000 62.8377 32.0099 177.6219 65 N 4.5275 8.2603 117.9495 55.6754 38.6444 175.5005 66 K 4.5390 7.7992 116.2731 53.4054 34.4473 174.3234 67 P 3.1205 0.0000 0.0000 61.4843 31.7753 173.8627 68 P 4.4207 0.0000 0.0000 62.0492 33.0925 174.7503 69 T 4.3523 7.8620 110.4471 60.0946 71.0491 173.7723 70 V 4.6719 8.0551 124.0514 60.9731 34.6754 174.1296 71 K 5.1237 8.7137 126.1713 54.4837 35.9424 175.4896 72 F 4.5045 9.3896 122.7887 57.8207 39.7356 176.4523 73 I 4.1233 9.3212 125.0134 63.8720 37.8735 177.1558 74 S 4.6940 8.2655 115.6855 57.7030 63.4609 174.8760 75 K 4.2067 8.6701 121.6384 56.9388 32.5272 176.3193 76 M 4.6086 8.2145 120.1055 53.7924 35.2974 174.8957 77 F 4.5972 8.3560 124.9219 56.9737 40.9032 172.9955 78 H 4.7679 7.8945 125.7583 53.8949 32.9564 172.3895 79 P 4.2042 0.0000 0.0000 65.6468 31.4044 177.4509 80 N 4.6559 8.1354 113.2508 52.6561 38.6404 173.8734 81 V 4.7369 7.3046 118.7482 61.0077 33.4950 175.3351 82 Y 4.2662 8.8689 125.1395 57.2153 38.6142 176.6647 83 A 4.0641 8.7980 124.2011 55.5366 18.4110 178.3746 84 D 4.5901 8.1459 112.1634 53.7139 39.8512 177.2558 85 G 4.1851 8.3406 109.1562 46.4030 0.0000 173.7239 86 S 4.5597 8.6017 117.4038 58.9818 63.9083 173.3627 87 I 4.4514 8.3482 126.1689 60.3623 38.0315 175.1710 88 C 4.5376 9.0371 129.4977 58.0356 31.8073 172.6136 89 L 4.7134 8.1644 128.1465 52.7955 44.8560 176.4043 90 D 4.4253 9.0879 125.9885 56.6350 39.3522 178.5957 91 I 4.2280 7.7194 111.1118 61.8295 37.8415 176.8103 92 L 4.5092 7.9776 120.2092 54.9830 42.4853 176.4566 93 Q 4.2579 7.8091 116.2755 55.1229 29.9700 175.1030 94 N 4.8904 8.6780 123.2338 53.4784 39.6472 176.2853 95 R 4.6153 8.4204 118.8668 55.7041 30.5043 175.5435 96 W 5.0738 8.1812 127.5750 56.7243 31.5126 175.1947 97 S 4.0521 7.3490 118.6724 55.3721 64.2046 172.6463 98 P 4.3722 0.0000 0.0000 63.5781 31.0447 176.9549 99 T 4.0530 6.6821 107.7751 62.4460 69.4539 174.9677 100 Y 4.4579 6.9575 121.2265 57.7568 38.5653 174.3654 101 D 5.3706 8.3926 122.4658 51.0369 42.8438 176.3184 102 V 3.5304 8.1437 116.1925 66.3587 31.1591 177.9844 103 A 3.9904 8.1631 119.6321 55.2802 18.2893 179.3473 104 A 3.9389 8.6863 119.4944 55.1978 18.4214 179.9561 105 I 3.5873 8.0242 118.4690 64.4924 37.2436 178.6884 106 L 3.9211 8.0464 119.7976 58.0526 41.4739 179.4927 107 T 3.8724 7.9681 115.6711 66.9231 68.3775 176.6559 108 S 4.0661 8.0704 116.6777 61.8077 62.6635 176.9716 109 I 3.7177 7.4690 120.9829 64.0858 36.8977 178.0930 110 Q 4.1062 8.0684 120.7566 59.3246 28.5881 178.3113 111 S 4.1599 8.1948 116.2398 61.3328 62.8732 176.2557 112 L 3.7973 8.3201 123.0571 57.2024 41.4732 179.0520 113 L 3.4273 7.1858 118.2989 57.7273 41.4726 177.5187 114 D 4.9552 7.3323 114.1241 54.1640 41.5020 176.7556 115 E 4.7255 7.4007 114.8604 54.1606 30.5075 173.1679 116 P 4.2529 0.0000 0.0000 62.4099 32.3678 176.1354 117 N 4.4376 8.9946 122.4455 52.8905 38.9980 172.9244 118 P 4.5331 0.0000 0.0000 62.7240 31.4667 176.4782 119 N 4.0422 7.5427 115.8020 56.6987 38.8529 175.3734 120 S 4.4333 7.3919 121.2498 55.2477 63.4265 171.6909 121 P 4.2973 0.0000 0.0000 62.5322 31.6789 176.8551 122 A 3.6965 8.1347 122.9998 52.8980 19.6184 176.5868 123 N 4.6958 8.0515 115.4371 51.8600 39.9111 175.3855 124 S 4.0521 8.6065 122.8061 61.7007 63.1730 176.1650 125 L 3.9776 8.0561 122.2491 58.2113 41.5865 178.7604 126 A 4.0732 8.2800 120.3991 54.8558 18.2960 179.4770 127 A 3.8763 7.8167 118.8574 54.9825 18.2523 179.6985 128 Q 3.9538 8.3062 118.4813 59.5372 29.2884 178.3344 129 L 3.8369 8.1862 119.9534 57.8282 41.4188 179.0825 130 Y 3.4155 8.0031 119.3787 60.2793 38.7469 177.4792 131 Q 3.9981 7.6190 117.1014 58.0046 29.3899 176.6551 132 E 4.4133 8.3705 118.5017 55.0768 31.4540 174.9634 133 N 4.5888 8.0094 112.4658 52.0968 41.2385 175.3675 134 R 4.1291 7.6038 117.8215 58.7629 29.6087 178.4044 135 R 4.0285 7.8179 117.0326 59.2166 30.0286 178.0525 136 E 3.9558 8.4803 119.9827 58.5435 29.6778 178.1853 137 Y 4.1681 8.0063 119.5391 60.8655 39.0716 177.5343 138 E 3.9369 8.1603 119.3964 58.7293 29.3977 179.3662 139 K 3.7946 7.5844 120.2143 59.6754 32.1327 179.2050 140 R 3.6944 7.4873 117.4198 58.5242 29.7532 179.1877 141 V 3.3209 7.0965 118.1497 65.5996 31.4226 177.8202 142 Q 3.8029 7.8356 119.4192 58.9268 28.7158 177.9561 143 Q 3.8121 7.5888 120.5097 58.9787 29.1099 178.0765 144 I 3.8109 7.2307 120.6422 63.6661 36.9339 178.5733 145 V 3.3638 7.3508 118.7686 65.8274 31.6470 177.6451 146 E 2.0000 7.2854 118.1025 58.7144 29.2377 179.4678 147 Q 3.9877 7.4881 117.8220 58.6453 28.8058 178.8768 148 S 4.4218 7.5428 114.9556 60.7793 62.6825 176.4770 149 W 4.5253 7.4508 122.1508 59.4142 28.8516 177.8842 150 L 4.2912 7.7785 117.8144 57.2486 40.7652 178.3654 151 N 4.6168 8.1535 117.4309 55.4883 38.4601 174.8983 152 F 4.4420 8.3007 126.7711 58.7813 39.4909 175.1012 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 2 T 8.16 4.34 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 3 T 7.57 3.96 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 4 P 0.00 4.25 0.00 2.30 2.39 0.00 3.72 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 2.11 2.06 0.00 5 S 7.95 4.38 0.00 4.28 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 6 R 7.84 4.05 0.00 2.05 1.99 0.00 3.20 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 7 R 8.13 3.99 0.00 2.06 2.00 0.00 3.25 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 8 R 8.10 3.95 0.00 1.96 2.24 0.00 3.55 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 1.46 1.94 0.00 9 L 8.17 4.26 0.00 1.95 1.91 0.72 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.19 4.23 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 11 R 7.97 4.07 0.00 2.10 2.03 0.00 3.16 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 12 D 8.73 4.49 0.00 2.97 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 13 F 8.68 4.44 0.00 3.20 3.28 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 14 K 8.31 3.86 0.00 2.08 2.00 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.53 7.81 15 K 8.25 4.00 0.00 1.89 1.86 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.77 7.81 16 L 7.83 4.00 0.00 1.82 1.87 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.65 3.97 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 1.26 1.61 0.00 18 E 7.89 4.21 0.00 1.93 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 2.32 2.62 0.00 19 D 7.55 4.69 0.00 2.53 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.50 0.00 2.17 2.16 0.00 3.80 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 1.95 1.94 0.00 21 P 0.00 4.34 0.00 2.19 2.01 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 22 A 8.46 3.98 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 23 G 8.84 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 24 V 7.35 4.94 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 0.83 0.00 0.00 0.95 0.00 0.00 25 S 8.41 4.69 0.00 3.92 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 26 G 8.56 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 27 A 8.60 4.49 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.07 0.00 1.55 0.71 0.00 2.45 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.96 0.00 29 T 9.06 3.87 4.34 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 1.24 0.00 0.00 30 E 8.69 3.95 0.00 1.87 1.96 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 2.23 2.21 0.00 31 D 7.74 4.66 0.00 2.79 2.72 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 0.00 0.00 0.00 0.00 32 N 7.90 4.53 0.00 2.76 2.71 0.00 0.00 6.70 8.03 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 33 I 8.37 3.64 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 0.95 0.00 0.00 34 L 8.06 4.45 0.00 1.91 2.02 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.40 5.15 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 1.28 0.00 0.00 36 W 9.45 5.21 0.00 3.28 3.22 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 37 E 9.27 5.25 0.00 2.08 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 2.30 2.42 0.00 38 A 9.31 5.41 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 39 I 9.05 5.25 1.80 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 1.39 1.33 0.89 0.00 0.00 40 I 8.85 5.00 2.20 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 1.32 1.07 1.08 0.00 0.00 41 F 9.32 5.43 0.00 2.87 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.19 4.75 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 0.00 0.00 0.00 43 P 0.00 4.33 0.00 2.22 2.30 0.00 3.92 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.06 0.00 44 Q 8.40 3.80 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.58 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 45 E 7.93 4.76 0.00 1.99 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 2.27 2.24 0.00 46 T 7.49 4.86 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 47 P 0.00 4.27 0.00 2.00 2.27 0.00 4.14 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 48 F 8.36 4.44 0.00 3.32 3.41 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 49 E 8.01 4.09 0.00 2.23 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 2.40 2.50 0.00 50 D 9.13 4.72 0.00 3.07 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 51 G 7.80 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 0.00 0.00 0.00 52 T 8.12 4.89 4.34 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 1.28 0.00 0.00 53 F 8.80 4.85 0.00 3.43 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 54 K 9.68 5.07 0.00 1.98 1.84 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.61 7.81 55 L 9.32 5.33 0.00 1.56 1.34 1.10 0.14 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 56 S 9.22 5.18 0.00 3.83 3.65 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 57 L 8.60 4.88 0.00 1.58 0.94 0.96 0.68 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 58 E 8.73 4.88 0.00 1.71 1.74 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 2.20 2.20 0.00 59 F 9.39 4.88 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 4.63 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 61 E 8.60 4.31 0.00 2.02 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 2.35 2.30 0.00 62 E 8.18 4.30 0.00 2.12 2.02 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 2.34 2.27 0.00 63 Y 7.83 4.70 0.00 3.16 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 64 P 0.00 3.82 0.00 2.15 1.43 0.00 3.68 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 1.92 1.79 0.00 65 N 8.26 4.53 0.00 3.00 3.00 0.00 0.00 6.76 7.77 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 66 K 7.80 4.54 0.00 1.72 1.62 0.00 1.75 0.00 0.00 2.05 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.41 7.81 67 P 0.00 3.12 0.00 1.49 0.49 0.00 3.43 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 68 P 0.00 4.42 0.00 0.91 0.49 0.00 3.14 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.20 0.00 69 T 7.86 4.35 4.09 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 1.05 0.00 0.00 70 V 8.06 4.67 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 0.81 0.00 0.00 0.66 0.00 0.00 71 K 8.71 5.12 0.00 1.67 1.64 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.31 7.81 72 F 9.39 4.50 0.00 2.99 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 73 I 9.32 4.12 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 1.00 0.00 0.00 74 S 8.27 4.69 0.00 4.13 4.04 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 75 K 8.67 4.21 0.00 1.77 1.77 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.39 7.81 76 M 8.21 4.61 0.00 1.73 1.36 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.80 0.00 77 F 8.36 4.60 0.00 2.83 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 78 H 7.89 4.77 0.00 3.04 2.90 0.00 5.75 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.20 0.00 1.94 1.91 0.00 2.93 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 1.61 1.99 0.00 80 N 8.14 4.66 0.00 2.80 2.93 0.00 0.00 6.55 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 81 V 7.30 4.74 2.02 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 0.98 0.00 0.00 0.94 0.00 0.00 82 Y 8.87 4.27 0.00 3.23 2.88 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 83 A 8.80 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 84 D 8.15 4.59 0.00 2.82 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 85 G 8.34 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.60 4.56 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 87 I 8.35 4.45 1.76 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.62 0.86 0.00 0.00 88 C 9.04 4.54 0.00 3.13 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 89 L 8.16 4.71 0.00 1.65 1.40 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 90 D 9.09 4.43 0.00 2.98 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.72 4.23 1.85 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 0.84 0.00 0.00 92 L 7.98 4.51 0.00 1.76 1.63 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 7.81 4.26 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 94 N 8.68 4.89 0.00 2.85 2.95 0.00 0.00 5.90 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 95 R 8.42 4.62 0.00 1.99 2.06 0.00 3.32 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 96 W 8.18 5.07 0.00 3.57 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 97 S 7.35 4.05 0.00 3.22 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 98 P 0.00 4.37 0.00 1.90 2.09 0.00 3.44 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 99 T 6.68 4.05 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 0.97 0.00 0.00 100 Y 6.96 4.46 0.00 2.58 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 0.00 101 D 8.39 5.37 0.00 3.23 2.88 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 0.00 102 V 8.14 3.53 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 0.96 0.00 0.00 0.18 0.00 0.00 103 A 8.16 3.99 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 0.00 104 A 8.69 3.94 1.45 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 0.00 0.00 105 I 8.02 3.59 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.91 0.83 0.00 0.00 106 L 8.05 3.92 0.00 1.69 1.71 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.97 3.87 4.41 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 1.20 0.00 0.00 108 S 8.07 4.07 0.00 3.92 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 0.00 109 I 7.47 3.72 1.91 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.77 0.00 0.00 110 Q 8.07 4.11 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 111 S 8.19 4.16 0.00 4.01 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 0.00 112 L 8.32 3.80 0.00 1.79 1.73 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.19 3.43 0.00 1.52 0.79 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.33 4.96 0.00 2.59 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 0.00 115 E 7.40 4.73 0.00 2.13 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 2.28 2.30 0.00 116 P 0.00 4.25 0.00 1.40 1.53 0.00 3.15 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.63 0.00 117 N 8.99 4.44 0.00 2.63 2.68 0.00 0.00 7.19 8.55 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 0.00 118 P 0.00 4.53 0.00 2.21 2.13 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 119 N 7.54 4.04 0.00 2.93 2.84 0.00 0.00 6.59 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 0.00 120 S 7.39 4.43 0.00 3.75 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.26 1.94 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 122 A 8.13 3.70 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.05 4.70 0.00 2.69 2.55 0.00 0.00 7.12 6.73 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 0.00 124 S 8.61 4.05 0.00 3.90 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 0.00 125 L 8.06 3.98 0.00 1.84 1.96 1.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.28 4.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.82 3.88 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 0.00 128 Q 8.31 3.95 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 129 L 8.19 3.84 0.00 2.18 2.00 1.17 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.00 3.42 0.00 2.27 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 0.00 131 Q 7.62 4.00 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.77 0.00 132 E 8.37 4.41 0.00 1.90 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 0.00 2.24 2.33 0.00 133 N 8.01 4.59 0.00 2.73 2.67 0.00 0.00 6.87 7.81 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 0.00 134 R 7.60 4.13 0.00 2.00 2.12 0.00 2.95 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 135 R 7.82 4.03 0.00 2.06 2.22 0.00 2.96 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 136 E 8.48 3.96 0.00 2.14 2.17 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 2.32 2.36 0.00 137 Y 8.01 4.17 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.16 3.94 0.00 2.04 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 2.49 2.74 0.00 139 K 7.58 3.79 0.00 1.85 1.86 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.32 1.40 7.81 140 R 7.49 3.69 0.00 1.01 0.96 0.00 2.86 0.00 0.00 2.40 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.00 141 V 7.10 3.32 1.72 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 -0.26 0.00 0.00 0.25 0.00 0.00 142 Q 7.84 3.80 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 143 Q 7.59 3.81 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 144 I 7.23 3.81 1.98 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 1.57 1.16 1.06 0.00 0.00 145 V 7.35 3.36 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 0.74 0.00 0.00 1.01 0.00 0.00 146 E 7.29 2.00 0.00 1.67 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 1.77 2.23 0.00 147 Q 7.49 3.99 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 148 S 7.54 4.42 0.00 3.95 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 0.00 149 W 7.45 4.53 0.00 3.56 3.12 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 0.00 150 L 7.78 4.29 0.00 1.80 1.79 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.15 4.62 0.00 3.19 2.94 0.00 0.00 6.45 7.60 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 0.00 152 F 8.30 4.44 0.00 3.05 3.10 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