NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4384 8.4029 118.6751 56.4388 31.9801 174.7632 4 K 4.7521 8.7725 129.6800 52.0497 33.5828 170.3264 5 Y 4.5839 10.1184 129.8976 55.0773 40.6409 174.1594 6 I 4.1437 7.8315 128.2019 60.4205 38.4693 175.6582 7 V 4.1347 7.7305 126.3165 61.1702 33.5402 175.4724 8 T 4.2224 8.1842 118.1092 60.0750 70.7867 175.7484 9 W 4.3110 8.6432 121.4968 60.0576 28.9645 178.4413 10 D 4.4252 8.2453 118.2113 57.7698 40.3247 178.5822 11 M 3.9685 7.6664 117.9147 58.3311 31.8665 178.5627 12 L 3.9821 7.9272 120.4447 58.2840 42.2720 178.8752 13 Q 4.0197 8.1871 119.3474 59.0330 28.8159 178.2498 14 I 3.6978 7.7337 121.0264 64.6223 37.2755 178.1328 15 H 4.2206 8.2408 116.9281 58.8471 28.5533 177.6873 16 A 4.0027 8.3074 122.8715 55.3657 18.2500 179.9511 17 R 4.0221 8.1888 118.8732 59.6751 29.8565 180.0604 18 K 4.0349 7.4825 123.2732 59.5570 31.8514 182.1897 19 L 4.2405 7.9017 120.8969 57.8840 41.8729 178.8817 20 A 4.0136 8.0324 121.1472 55.0903 18.4413 179.7669 21 S 4.1187 8.0857 112.6669 61.4846 62.8834 176.7332 22 R 4.1961 7.5590 120.4983 58.0889 30.0069 177.7742 23 L 4.5738 7.3389 116.9833 54.6275 42.3176 176.9769 24 M 4.3601 7.0724 118.5058 54.4744 32.9684 174.6914 25 P 4.5223 0.0000 0.0000 62.3140 32.4941 177.5877 26 S 4.6071 8.5547 114.7588 60.8345 62.7029 176.1183 27 E 4.0443 8.1226 118.9362 58.9398 29.2292 177.4907 28 Q 3.9665 7.2175 113.7069 56.1086 28.9489 175.6473 29 W 5.0505 7.7250 121.4697 55.7826 31.4898 176.4937 30 K 4.0727 9.1115 124.0294 55.4991 32.0942 175.3284 31 G 3.7300 6.0062 103.4493 46.4492 0.0000 171.7515 32 I 4.9895 8.0971 120.3658 59.3557 40.4087 175.3082 33 I 4.8845 8.7424 127.3876 59.6765 39.2980 174.4048 34 A 4.8865 8.7958 130.1780 50.6175 21.0525 175.9900 35 V 4.3542 8.4736 122.5730 61.9860 32.7745 175.5318 36 S 4.5499 8.4369 125.2417 58.7764 62.9713 174.7034 37 R 4.3700 8.6911 121.5586 56.1989 31.6025 178.5269 38 G 3.6294 7.6058 106.1094 47.6937 0.0000 174.7540 39 G 3.8242 8.7237 107.7296 46.3831 0.0000 175.6479 40 L 3.8705 7.6611 120.9741 57.8158 41.5950 179.5576 41 V 3.5979 7.3052 117.4145 65.6270 31.6858 176.1029 42 P 4.4370 0.0000 0.0000 65.6142 31.1433 178.8994 43 G 3.6147 8.5608 104.6309 47.5052 0.0000 175.5590 44 A 4.1080 7.8855 122.8029 54.7766 18.4752 179.7204 45 L 4.0867 7.9407 117.8375 57.8370 41.7292 179.6177 46 L 3.9700 8.0548 118.8828 57.6673 41.5812 179.3384 47 A 4.2143 7.8421 120.4885 54.7672 17.9350 179.8236 48 R 3.8319 7.5162 116.1217 59.6864 30.0899 178.5519 49 E 3.9653 7.8749 116.7775 59.2720 29.5101 178.1285 50 L 4.2674 8.4538 116.2524 54.2614 42.0925 176.6982 51 G 3.8983 7.3923 106.6483 46.5782 0.0000 173.8339 52 I 4.2800 7.8899 122.8524 60.1584 38.2510 177.2237 53 R 4.1354 8.5025 123.7910 57.8554 30.0849 172.3625 54 H 4.5644 8.0362 116.3925 55.9108 30.1415 173.8524 55 V 4.7918 8.1711 124.9289 61.2349 33.9841 173.7027 56 D 5.2545 9.2488 128.7927 52.8668 44.7312 173.9271 57 T 5.7150 8.4239 108.4251 60.1477 72.5166 173.9160 58 V 4.4764 8.1914 120.4866 60.7777 34.1386 173.3990 59 A 4.7335 8.9502 131.5529 51.0017 20.5642 176.2245 60 I 4.8723 8.4636 125.0625 59.6947 38.5794 172.4820 61 S 4.5657 9.3283 130.5667 57.8411 63.1659 171.2586 62 S 5.0924 8.7942 126.1886 58.0902 64.0598 170.4301 *63 Y 4.7043 8.3187 119.9883 56.8752 41.4192 174.4036 64 D 5.2111 8.6662 124.0987 52.1149 43.2542 176.7347 65 H 4.6940 8.7704 120.0010 54.1806 29.0289 172.5184 66 D 4.6714 8.1662 121.8395 53.5016 39.4830 173.8453 67 N 4.9466 8.4527 119.6671 52.6551 39.2068 174.6763 68 Q 4.5951 8.0159 120.0758 54.4318 31.9555 173.7311 69 R 4.9968 8.6456 125.5966 55.5505 32.0710 176.0675 70 E 4.6780 9.6555 122.4933 54.9802 32.0312 173.1546 71 L 4.9590 8.6568 127.5511 52.9844 44.2152 177.4228 72 K 4.4445 8.4693 125.0924 53.8413 35.9651 175.2931 73 V 4.2873 8.4908 126.8736 61.5222 30.8835 175.6622 74 L 4.2632 9.0032 130.2568 57.4846 42.4092 177.7438 75 K 4.6338 7.7106 117.0438 55.4630 35.4420 174.4333 76 R 5.0458 8.4225 121.3809 54.4341 32.4886 174.5423 77 A 4.3665 8.4679 123.6858 52.0073 19.4809 176.7332 78 E 4.2574 8.6631 118.7940 55.9584 31.1816 176.9756 79 G 3.8803 8.5389 107.4805 45.4913 0.0000 172.9643 80 D 4.5632 8.5092 115.3187 52.9294 39.9693 177.7894 81 G 3.8104 8.2371 107.9245 45.8634 0.0000 172.7533 82 E 4.4308 7.8546 120.5849 56.6793 29.8715 176.9601 83 G 4.1106 9.3524 113.6229 46.0920 0.0000 172.0874 84 F 5.2934 8.4509 117.4291 55.4084 43.0200 174.7177 85 I 4.2396 8.1377 122.2325 59.7012 38.8839 174.8384 86 V 4.5181 8.4251 128.6842 61.9543 32.8884 174.7107 87 I 5.6128 8.7614 127.2962 58.2798 41.7235 173.3076 88 D 5.2534 8.2802 126.0270 52.3690 44.7190 175.6919 89 D 4.7022 8.9187 122.1518 56.3561 40.5883 175.6539 90 L 5.0430 7.5671 115.9924 55.1234 43.9689 174.8537 91 V 4.1663 8.1442 118.0623 61.6630 33.6889 174.9573 92 D 4.3545 9.1327 128.1400 56.2088 41.6301 176.9412 93 T 4.4075 7.8012 106.0192 60.5974 70.3861 175.0085 94 G 4.0198 8.3696 110.9820 45.8905 0.0000 175.5855 95 G 3.6917 7.8216 107.1640 48.4094 0.0000 176.0314 96 T 4.0069 7.9253 117.4592 66.1806 68.4596 176.6565 97 A 3.8707 7.8921 122.4292 54.9524 18.3435 179.6630 98 V 3.4730 8.2954 117.1634 66.0254 31.4922 178.2018 99 A 3.9643 7.6575 119.3970 55.1801 18.2121 179.7315 100 I 3.8084 7.5956 120.9576 64.9747 36.8521 179.4936 101 R 4.1618 8.2505 124.1073 61.5974 28.9207 182.0491 102 E 4.3497 7.5057 116.2881 61.1845 29.8877 182.9309 103 M 4.2543 7.4652 117.6484 57.0080 33.3303 176.5592 104 Y 4.7094 7.9106 118.1210 55.1481 38.1918 174.3177 105 P 4.4317 0.0000 0.0000 64.5542 31.8246 177.6079 106 K 4.4834 8.2708 115.9601 56.2548 32.0531 175.2983 107 A 5.0399 7.5106 121.1474 50.7677 20.9387 177.6820 108 H 4.7773 9.0770 122.1626 55.7278 30.7854 173.6837 109 F 5.4124 9.5449 130.2066 57.4738 40.6438 174.9772 110 V 5.3191 8.6109 118.4025 58.9823 36.4974 174.3214 111 T 5.3921 7.7263 110.5242 60.4209 72.1959 174.8390 112 I 3.6023 8.5294 122.5090 64.1346 38.1017 176.1770 113 F 5.4450 8.0773 119.6483 56.1348 42.2428 174.5989 114 A 4.6650 8.5509 120.7624 50.9980 22.7597 176.0544 115 K 5.3181 8.4200 121.8320 53.6861 34.3932 176.0739 116 P 4.0677 0.0000 0.0000 65.9205 31.3252 178.8512 117 A 3.9788 8.5690 119.5647 54.3304 18.5309 178.2494 118 G 4.0751 7.9609 102.4466 45.0162 0.0000 174.7470 119 R 3.5887 7.7540 122.0533 58.7380 30.0915 176.7928 120 P 4.4563 0.0000 0.0000 65.1396 31.5847 177.7599 121 L 4.3184 7.6457 117.1077 55.2761 41.2479 182.3439 122 V 4.6318 6.9898 109.0928 60.2983 33.3049 175.9906 123 D 4.6190 8.7323 124.2222 57.4615 41.4358 176.2485 124 D 4.7418 7.8152 114.8303 53.7966 44.5864 174.0764 125 Y 5.6631 8.1466 121.1685 56.7891 40.9491 173.1735 126 V 3.9299 8.5733 115.5489 63.9190 33.4586 175.2829 127 V 4.3942 7.9687 120.6221 61.1316 33.8774 173.5814 128 D 5.3505 8.8707 129.6903 54.1844 42.0335 176.4357 129 I 4.4766 8.4306 123.0177 57.7051 39.5963 170.5284 130 P 4.5650 0.0000 0.0000 61.4950 31.9697 177.3916 131 Q 3.9417 8.6315 122.3397 59.0684 29.0914 176.7766 132 D 4.7717 8.0140 114.8175 53.4252 39.6995 175.3168 133 T 4.7647 7.5417 116.7005 61.9094 70.5263 173.7920 134 W 4.4004 9.5984 135.0000 56.5870 31.9592 175.3599 135 I 4.3622 7.4397 129.2721 60.2168 37.2041 175.2201 136 E 4.0766 9.1021 130.5540 55.3312 30.0167 176.3843 137 Q 3.8700 8.0579 125.9707 54.1625 30.1339 175.3938 138 P 3.5184 0.0000 0.0000 65.0456 31.1507 179.2231 139 W 4.3973 6.6057 113.2381 58.9939 28.0685 176.2721 140 D 4.7012 7.1289 116.4021 54.6885 40.6077 175.2166 141 M 4.7728 7.3690 118.6606 53.7020 35.1433 174.2609 142 G 4.0065 8.0211 106.6018 45.3929 0.0000 173.2927 143 V 4.0778 8.3097 119.7590 61.3952 31.0805 175.0413 144 V 4.6201 7.8306 119.2954 58.7833 35.6707 175.2877 145 F 4.1777 8.8152 123.1020 58.4774 39.5150 174.2282 146 V 4.0078 7.1196 126.7167 59.8771 33.3130 173.3443 147 P 4.0837 0.0000 0.0000 61.7999 31.7544 174.5160 148 P 4.4463 0.0000 0.0000 62.5458 31.8991 176.7730 149 I 3.9094 8.2784 122.3808 63.8592 37.4908 177.3554 150 S 4.3517 7.8591 120.4469 58.0399 63.1053 177.9475 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 3 E 8.40 4.44 0.00 1.68 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 4 K 8.77 4.75 0.00 1.60 1.63 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.07 7.81 5 Y 10.12 4.58 0.00 2.90 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 6 I 7.83 4.14 1.65 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 1.12 0.84 0.73 0.00 0.00 7 V 7.73 4.13 1.85 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 0.81 0.00 0.00 0.55 0.00 0.00 8 T 8.18 4.22 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 1.13 0.00 0.00 9 W 8.64 4.31 0.00 3.42 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 10 D 8.25 4.43 0.00 2.72 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 11 M 7.67 3.97 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 12 L 7.93 3.98 0.00 1.80 1.94 1.07 0.99 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 13 Q 8.19 4.02 0.00 2.41 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 14 I 7.73 3.70 1.92 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 1.51 0.71 0.89 0.00 0.00 15 H 8.24 4.22 0.00 3.18 3.12 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.31 4.00 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 17 R 8.19 4.02 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 18 K 7.48 4.03 0.00 1.82 1.72 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.31 7.81 19 L 7.90 4.24 0.00 1.71 1.80 0.85 0.67 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 20 A 8.03 4.01 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 21 S 8.09 4.12 0.00 4.10 4.14 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 22 R 7.56 4.20 0.00 1.91 2.05 0.00 3.26 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 23 L 7.34 4.57 0.00 1.77 1.91 0.72 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.07 4.36 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.86 0.00 25 P 0.00 4.52 0.00 2.10 2.02 0.00 3.50 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 2.04 2.03 0.00 26 S 8.55 4.61 0.00 3.94 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 27 E 8.12 4.04 0.00 1.91 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 2.29 2.34 0.00 28 Q 7.22 3.97 0.00 1.64 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 1.94 1.16 0.00 29 W 7.73 5.05 0.00 3.31 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 30 K 9.11 4.07 0.00 1.73 1.71 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.25 7.81 31 G 6.01 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.10 4.99 1.84 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 1.03 0.66 0.85 0.00 0.00 33 I 8.74 4.88 1.68 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.94 0.66 0.00 0.00 34 A 8.80 4.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.47 4.35 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 0.99 0.00 0.00 1.10 0.00 0.00 36 S 8.44 4.55 0.00 3.74 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 37 R 8.69 4.37 0.00 1.74 1.74 0.00 3.08 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 38 G 7.61 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 39 G 8.72 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.66 3.87 0.00 1.59 1.61 0.83 1.17 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 41 V 7.31 3.60 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 1.51 0.00 0.00 0.90 0.00 0.00 42 P 0.00 4.44 0.00 2.23 2.13 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 43 G 8.56 3.61 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 44 A 7.89 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.09 0.00 1.94 1.75 1.05 0.67 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 46 L 8.05 3.97 0.00 1.64 1.63 0.80 0.69 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 47 A 7.84 4.21 1.40 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 0.00 0.00 48 R 7.52 3.83 0.00 2.02 2.12 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 49 E 7.87 3.97 0.00 2.02 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 0.00 2.57 2.43 0.00 50 L 8.45 4.27 0.00 1.67 1.76 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.39 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 52 I 7.89 4.28 1.85 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 1.18 0.82 0.92 0.00 0.00 53 R 8.50 4.14 0.00 1.82 1.83 0.00 3.26 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.00 54 H 8.04 4.56 0.00 3.28 3.31 0.00 5.77 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.17 4.79 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 0.84 0.00 0.00 0.93 0.00 0.00 56 D 9.25 5.25 0.00 2.83 2.57 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 57 T 8.42 5.72 4.29 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 1.20 0.00 0.00 58 V 8.19 4.48 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.05 0.00 0.00 59 A 8.95 4.73 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 60 I 8.46 4.87 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 1.20 0.88 0.91 0.00 0.00 61 S 9.33 4.57 0.00 3.37 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 62 S 8.79 5.09 0.00 3.39 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 *63 Y 8.32 4.70 0.00 1.89 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 0.00 0.00 0.00 0.00 64 D 8.67 5.21 0.00 2.49 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.77 4.69 0.00 3.19 3.18 0.00 5.92 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.17 4.67 0.00 2.86 2.64 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 67 N 8.45 4.95 0.00 2.79 2.88 0.00 0.00 5.67 7.39 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 68 Q 8.02 4.60 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 69 R 8.65 5.00 0.00 1.75 1.85 0.00 3.24 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 70 E 9.66 4.68 0.00 1.57 1.82 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 2.14 2.13 0.00 71 L 8.66 4.96 0.00 1.51 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.47 4.44 0.00 1.39 1.62 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.25 7.81 73 V 8.49 4.29 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 0.99 0.00 0.00 0.91 0.00 0.00 74 L 9.00 4.26 0.00 1.62 1.72 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.71 4.63 0.00 1.76 1.59 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.35 7.81 76 R 8.42 5.05 0.00 1.83 1.84 0.00 3.01 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 77 A 8.47 4.37 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.66 4.26 0.00 1.95 1.88 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 2.25 2.30 0.00 79 G 8.54 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 0.00 0.00 0.00 80 D 8.51 4.56 0.00 2.94 2.90 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 81 G 8.24 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 82 E 7.85 4.43 0.00 2.22 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 0.00 2.42 2.43 0.00 83 G 9.35 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.45 5.29 0.00 3.14 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 85 I 8.14 4.24 1.50 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.60 0.00 0.00 86 V 8.43 4.52 2.27 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 0.95 0.00 0.00 0.65 0.00 0.00 87 I 8.76 5.61 1.78 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 1.05 0.98 0.87 0.00 0.00 88 D 8.28 5.25 0.00 2.99 2.48 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 89 D 8.92 4.70 0.00 3.11 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 90 L 7.57 5.04 0.00 1.63 1.80 0.84 0.45 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 91 V 8.14 4.17 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 1.03 0.00 0.00 0.94 0.00 0.00 92 D 9.13 4.35 0.00 2.62 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 93 T 7.80 4.41 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 1.23 0.00 0.00 94 G 8.37 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.82 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 0.00 0.00 0.00 96 T 7.93 4.01 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 97 A 7.89 3.87 1.59 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 0.00 0.00 98 V 8.30 3.47 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 99 A 7.66 3.96 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 0.00 100 I 7.60 3.81 1.52 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 1.38 0.65 0.79 0.00 0.00 101 R 8.25 4.16 0.00 1.81 1.94 0.00 3.26 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 102 E 7.51 4.35 0.00 2.04 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 2.25 2.21 0.00 103 M 7.47 4.25 0.00 1.02 1.90 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.34 0.00 104 Y 7.91 4.71 0.00 2.88 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 0.00 105 P 0.00 4.43 0.00 2.06 2.12 0.00 3.81 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.26 0.00 106 K 8.27 4.48 0.00 2.05 1.89 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 107 A 7.51 5.04 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 0.00 108 H 9.08 4.78 0.00 3.63 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.54 5.41 0.00 3.10 2.94 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 0.00 110 V 8.61 5.32 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 0.45 0.00 0.00 0.76 0.00 0.00 111 T 7.73 5.39 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 112 I 8.53 3.60 1.75 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 1.33 0.95 0.25 0.00 0.00 113 F 8.08 5.44 0.00 2.94 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 0.00 114 A 8.55 4.67 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 0.00 115 K 8.42 5.32 0.00 1.80 1.80 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.16 7.81 116 P 0.00 4.07 0.00 2.14 2.10 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 117 A 8.57 3.98 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 0.00 118 G 7.96 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 0.00 119 R 7.75 3.59 0.00 1.78 1.85 0.00 3.06 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.99 0.00 120 P 0.00 4.46 0.00 2.09 2.10 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 121 L 7.65 4.32 0.00 1.70 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.99 4.63 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 123 D 8.73 4.62 0.00 2.58 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 0.00 124 D 7.82 4.74 0.00 2.77 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 0.00 0.00 0.00 0.00 125 Y 8.15 5.66 0.00 2.97 2.77 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 0.00 0.00 0.00 126 V 8.57 3.93 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 0.63 0.00 0.00 0.83 0.00 0.00 127 V 7.97 4.39 2.05 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 0.99 0.00 0.00 0.54 0.00 0.00 128 D 8.87 5.35 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 0.00 129 I 8.43 4.48 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 1.23 0.87 0.91 0.00 0.00 130 P 0.00 4.56 0.00 2.12 1.96 0.00 3.41 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 131 Q 8.63 3.94 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.33 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 132 D 8.01 4.77 0.00 2.82 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 0.00 133 T 7.54 4.76 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 134 W 9.60 4.40 0.00 3.40 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 0.00 135 I 7.44 4.36 1.30 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.32 0.20 0.00 0.00 136 E 9.10 4.08 0.00 2.08 1.69 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 2.25 2.23 0.00 137 Q 8.06 3.87 0.00 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.68 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 138 P 0.00 3.52 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.54 0.00 139 W 6.61 4.40 0.00 3.44 3.52 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 0.00 140 D 7.13 4.70 0.00 2.72 2.77 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 0.00 0.00 0.00 141 M 7.37 4.77 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 142 G 8.02 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 0.00 0.00 0.00 143 V 8.31 4.08 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 0.88 0.00 0.00 0.99 0.00 0.00 144 V 7.83 4.62 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 0.82 0.00 0.00 0.96 0.00 0.00 145 F 8.82 4.18 0.00 2.96 3.01 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 0.00 146 V 7.12 4.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.86 0.00 0.00 147 P 0.00 4.08 0.00 2.03 2.02 0.00 3.59 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 148 P 0.00 4.45 0.00 2.17 1.99 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 149 I 8.28 3.91 1.85 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 1.24 0.43 0.90 0.00 0.00 150 S 7.86 4.35 0.00 3.58 3.56 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 * Residues marked with a * may have inaccurate shift predictions.