NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2895 8.1076 123.5810 51.9431 20.6003 177.9429 3 S 4.7322 7.9593 106.7416 57.0119 63.5051 170.5417 4 E 4.4717 8.6275 122.5751 54.6642 30.3202 176.6425 5 L 4.3790 8.1424 124.1690 54.2211 42.7850 178.2693 6 T 4.1822 8.6917 113.1579 60.9278 70.9318 174.1145 7 P 4.2844 0.0000 0.0000 65.6839 31.4172 178.8660 8 E 4.0323 8.1640 117.0533 59.5788 29.4429 179.0697 9 E 4.0438 8.0993 118.3002 59.4864 29.2143 179.7104 10 R 4.0014 8.2013 118.1578 59.3134 29.8917 179.2858 11 S 4.2349 7.9792 114.1548 61.6202 62.9339 176.1695 12 E 4.1027 8.1857 120.4368 58.4061 29.6293 177.8126 13 L 4.4252 7.6710 117.2571 54.8789 42.2068 178.2435 14 K 3.8674 7.5773 119.4595 59.7915 32.1257 178.2846 15 N 4.3247 8.0823 116.0183 56.3970 38.5067 177.4807 16 S 4.2591 8.0343 116.1095 61.5184 63.0163 176.5121 17 I 3.7651 8.1753 122.6276 64.4994 36.7027 178.1519 18 A 4.0171 7.7645 121.3279 54.5137 18.2144 179.0430 19 E 3.7278 7.8794 116.5095 58.6070 29.8468 178.0009 20 F 4.8877 8.3141 114.6511 57.2639 40.8054 175.7932 21 H 4.7369 8.0789 114.1078 55.2721 29.4860 173.0896 22 T 4.4499 7.5069 116.9867 62.0087 70.0401 172.6362 23 Y 4.5198 8.4216 124.1179 55.9537 40.0953 175.5399 24 Q 4.2557 8.5472 125.1493 55.0251 28.9432 175.3110 25 L 4.3065 8.2712 126.0922 54.2683 42.6600 176.9669 26 D 4.5793 8.0688 122.6911 53.1072 41.5419 174.4235 27 P 4.1967 0.0000 0.0000 64.5979 31.9207 176.6536 28 G 3.9033 9.2874 110.0556 45.5173 0.0000 172.2205 29 S 5.2886 7.6127 113.1807 56.4305 66.5730 172.4457 30 C 4.9899 8.9438 113.7602 56.8323 33.1689 173.0354 31 S 5.2843 8.3030 113.0723 55.5897 65.8757 173.2302 32 S 4.6489 7.4726 115.9823 56.5851 67.2665 172.4595 33 L 5.2299 8.2661 123.0900 53.7035 44.6157 175.1976 34 H 5.1974 9.7913 122.4657 53.9606 32.5745 172.6313 35 A 5.3210 8.5115 121.2497 50.4178 23.0573 174.9451 36 Q 4.6140 9.0795 121.0859 54.5220 32.5191 174.0157 37 R 4.7274 9.4211 128.5173 56.3080 31.2869 175.6509 38 I 4.6182 9.1743 126.3742 59.6293 40.6305 175.5127 39 H 5.3236 9.0959 127.0259 54.0275 25.8700 174.5257 40 A 4.6595 7.6353 121.2271 48.8807 22.5237 175.3864 41 P 4.5007 0.0000 0.0000 62.2305 33.2922 176.1067 42 P 4.5020 0.0000 0.0000 65.1944 31.3461 178.6359 43 E 4.0527 8.1839 117.5302 59.2154 29.0113 178.7880 44 L 3.9583 7.8888 120.8443 57.8361 42.2605 178.9203 45 V 3.5894 7.6556 117.9070 65.7908 31.4419 177.6475 46 W 4.3328 8.5400 128.6354 60.6528 30.2903 177.9275 47 S 3.8909 8.0668 112.9506 61.2232 62.2950 176.4251 48 I 3.8089 7.1308 122.2675 64.0424 36.8956 178.3282 49 V 2.9662 7.2830 117.9092 65.6157 31.3933 177.8824 50 R 3.6003 7.0875 114.4771 57.2468 30.2569 177.6069 51 R 4.2507 7.2875 120.1685 54.7919 28.4366 176.4331 52 F 4.2827 8.7063 125.0689 60.7763 39.7403 175.9937 53 D 4.1719 8.1477 118.1623 54.3602 40.0177 176.2683 54 K 5.0183 8.0122 118.8495 53.6167 32.4194 175.5506 55 P 4.1516 0.0000 0.0000 65.4085 32.0916 179.3015 56 Q 3.8579 7.8491 117.7630 58.6016 28.9570 178.3070 57 T 3.9268 7.4987 113.8862 65.9401 68.5293 174.4475 58 Y 4.6915 7.7819 115.9166 56.3507 40.0863 175.5662 59 K 4.4709 7.2819 119.6539 54.9584 33.7183 175.9183 60 H 4.3559 8.9224 119.9167 56.3208 29.8432 175.5155 61 F 3.9563 8.2987 117.9954 58.1910 35.8662 174.2448 62 I 4.6152 7.4290 121.6361 59.6557 38.0042 175.4893 63 K 4.2555 8.9708 128.5722 59.1993 32.5664 176.8187 64 S 4.6267 7.5614 111.9281 57.5721 66.3462 172.6865 65 C 5.2447 8.3990 120.4292 57.6335 34.1395 172.9100 66 S 4.4265 8.8529 120.7419 58.2239 65.1356 172.4750 67 V 3.8834 8.5820 115.2699 62.3624 32.9693 177.2025 *69 Q 4.0328 8.8163 118.7566 56.6912 30.5826 177.5861 70 N 4.2618 9.0058 120.9903 52.6225 36.5331 173.6855 71 F 4.6552 8.0086 117.4144 58.1586 39.3658 172.7240 *73 M 3.4089 8.4035 117.5745 55.4433 32.9479 175.8946 74 R 4.5744 7.7073 123.1623 54.0465 34.4991 174.5678 75 V 3.8159 8.1989 120.5394 64.7940 31.7109 176.2460 76 G 4.0530 9.2195 116.4550 45.2013 0.0000 173.5688 77 C 4.4708 7.9666 117.8323 60.5856 29.2456 173.0994 78 T 5.6069 8.7448 111.2342 60.0608 71.5261 173.1703 79 R 4.8160 9.2371 118.6663 54.5950 33.5365 173.5809 80 D 5.2148 8.8828 120.9162 52.7780 43.2883 175.4063 81 V 4.5416 8.4505 124.2793 61.1246 33.8089 174.4736 82 I 4.5628 8.4037 129.9974 60.6132 38.3733 175.4537 83 V 4.8878 8.9342 121.5042 59.0304 34.7363 176.2218 84 I 4.9126 8.7824 116.7579 60.9509 37.3494 176.7898 85 S 4.1588 8.5712 118.1262 59.9588 63.7479 173.8051 86 G 4.0368 7.6738 110.0863 43.6467 0.0000 173.3423 87 L 4.1462 8.3232 124.7618 56.5836 42.5901 175.5491 88 P 4.4708 0.0000 0.0000 60.7748 29.5061 173.9241 89 A 4.0309 7.4446 122.3634 50.2826 19.5509 176.8586 90 N 5.1068 8.6732 119.5235 51.8218 41.9278 173.9248 91 T 5.0620 8.3002 117.2032 61.9328 71.9386 173.2134 92 S 4.8420 8.7253 119.1517 56.8188 66.0691 172.5127 93 T 5.1957 8.7328 123.5621 62.0839 70.4809 173.4029 94 E 5.4221 9.2739 125.6567 54.5598 33.7235 174.7204 95 R 5.2242 9.1176 123.7953 54.2539 33.2660 174.5947 96 L 4.2158 8.6119 128.6771 55.5420 42.1147 176.8208 97 D 4.6736 8.9987 127.7466 56.4641 42.1463 177.5915 98 I 4.6980 7.5329 117.5161 59.6687 41.9298 174.8261 99 L 4.5242 8.4878 128.4170 54.5132 44.0089 174.2712 100 D 4.7902 9.5086 128.0288 52.4070 42.6920 176.1123 101 D 4.6025 8.9078 126.8940 57.0340 41.3647 178.1729 102 E 4.0152 8.2221 117.8881 58.4331 29.6653 177.5521 103 R 4.0997 8.2341 115.1037 54.9888 31.6657 175.8515 104 R 2.0000 7.2494 116.8807 56.3783 27.4933 175.8251 105 V 4.6700 6.4318 116.9037 61.3001 35.2327 174.9530 106 T 5.4961 8.5080 121.0934 59.9778 71.6578 172.2190 107 G 4.7191 8.4955 110.3879 45.8659 0.0000 171.7772 108 F 5.7513 8.7930 114.4121 55.5828 41.9761 173.4450 109 S 5.1186 9.1867 114.9888 56.7610 66.7224 173.4903 110 I 4.7737 8.6831 124.6505 61.0656 36.9984 175.8009 111 I 4.4408 9.0495 120.8393 60.9295 39.2245 175.1778 112 G 3.9087 8.1779 108.9154 46.6432 0.0000 173.2952 113 G 4.2614 8.4852 105.4477 44.2999 0.0000 173.6927 114 E 3.9197 8.0201 117.4546 59.5237 29.8522 177.6406 115 H 4.8462 7.9546 114.3741 55.5256 29.7812 177.0536 116 R 3.9295 8.0443 122.1219 59.7275 29.7914 178.5140 117 L 4.2984 7.8526 114.6143 56.6181 41.9666 178.2313 118 T 4.0418 8.0791 109.3631 62.6751 69.1262 174.4468 119 N 4.3274 7.9110 118.3458 53.8771 37.0717 173.8339 120 Y 4.3727 7.9348 118.3686 57.8732 40.3101 174.6157 121 K 4.7923 8.4451 127.0027 54.8238 36.2176 174.7106 122 S 5.0952 8.6413 120.7113 56.5463 66.5086 172.6045 123 V 5.0158 8.8812 123.9960 61.5372 35.2601 174.1273 124 T 5.5275 9.6511 123.8076 62.0539 71.9707 173.1010 125 T 5.1326 9.3297 115.7950 59.8258 72.4961 172.8315 126 V 4.9668 8.0272 122.4202 61.5675 34.4115 174.5315 127 H 4.8262 8.9219 123.2806 54.0169 32.9337 172.1874 128 R 4.6825 8.3716 123.1526 55.2421 31.1768 175.2822 129 F 4.3769 8.7276 124.6540 55.3931 42.6386 173.9050 130 E 4.9901 8.3121 124.4362 55.2861 32.7856 175.3280 131 K 4.5046 9.5226 130.4305 54.7621 35.8465 173.3975 132 E 4.1253 10.0719 123.5848 56.9640 26.4464 172.0637 133 N 4.4117 8.0023 113.1658 52.6977 36.6327 175.9028 134 R 4.7138 7.9657 117.7111 55.6343 31.6156 174.8540 135 I 5.1273 8.4638 122.9836 59.1050 40.4447 174.1766 136 W 5.5964 8.8780 125.0769 55.8446 32.2083 173.2394 137 T 5.2774 9.2571 115.2402 61.8312 72.0274 173.5885 138 V 4.7904 8.9254 124.6896 61.2321 34.4641 174.2502 139 V 4.8676 9.0132 128.2456 61.5407 33.5928 174.2381 140 L 5.2874 8.8558 127.1658 52.9823 44.7653 175.0674 141 E 5.4064 9.3990 124.0640 54.6095 33.0231 174.3493 142 S 5.5251 9.3919 121.0029 56.9427 67.0721 172.2495 143 Y 5.1208 8.1728 117.9196 55.5428 41.9745 173.8795 144 V 4.5719 8.2094 119.2949 59.9839 34.5939 175.0368 145 V 4.9755 8.6246 115.4548 59.6957 36.3747 174.4233 146 D 4.9176 9.1496 123.9134 54.8903 41.3530 176.2793 147 M 4.5236 9.0096 121.8201 53.9615 33.6363 174.2609 148 P 4.4315 0.0000 0.0000 61.9029 32.3363 175.8256 149 E 4.2937 8.7626 123.5882 55.9130 30.0737 173.1761 150 G 3.5705 8.3992 118.0016 45.7363 0.0000 171.9139 *153 E 4.0944 8.2726 124.4774 56.1083 31.7455 176.7168 154 D 4.6507 7.3893 116.3525 52.8641 41.8923 172.2417 155 D 4.6627 8.0696 120.5943 53.3031 42.5480 175.8503 156 T 4.6280 8.3576 115.2968 61.5204 69.4855 176.0885 157 R 4.0704 8.8330 125.5651 60.0117 29.9510 178.1805 158 M 4.0932 8.0879 117.7924 58.6360 32.3311 177.8459 159 F 4.1973 8.2880 120.1103 61.1208 39.7522 176.5946 160 A 3.7212 8.4827 120.8862 55.3293 18.1323 179.3986 161 D 4.4732 8.3166 117.2200 57.8029 40.8821 179.1076 162 T 3.8232 7.9348 116.2060 66.7274 68.4468 176.8875 163 V 3.4368 7.5201 120.1017 65.6706 31.3589 178.1832 164 V 3.5823 7.5619 117.7538 65.9113 31.4285 177.9345 165 K 3.8965 7.8531 118.1126 59.6775 31.9397 179.2828 166 L 4.0142 8.0474 118.9631 57.8393 41.5339 179.1976 167 N 4.4954 8.5985 116.8415 56.6256 38.5336 177.4868 168 L 4.1518 8.3107 120.3462 57.8570 41.6867 179.5694 169 Q 4.0541 8.2750 118.1833 58.8243 28.5890 178.7692 170 K 3.9978 8.3907 120.8327 59.2282 32.1486 178.6308 171 L 4.0016 8.2559 120.5685 58.0713 41.9389 178.8396 172 A 4.0081 8.1927 120.6434 55.4442 18.3681 179.5898 173 T 3.8078 7.8435 114.1641 66.8507 68.5963 176.8687 174 V 3.5778 8.2014 120.0693 66.1219 31.5669 177.9560 175 A 4.0240 8.2348 120.5623 55.2479 17.9908 179.5163 176 E 3.9750 8.4328 116.4038 59.4007 29.6082 179.1248 177 A 4.1585 8.0109 120.1379 55.0431 18.4354 179.4646 178 M 4.1322 7.7967 116.6113 58.4299 32.2300 176.9589 179 A 4.3193 7.9344 123.8830 52.6038 18.7336 176.9686 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 A 8.11 4.29 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 3 S 7.96 4.73 0.00 4.11 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.63 4.47 0.00 1.94 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 2.22 2.24 0.00 5 L 8.14 4.38 0.00 1.63 1.57 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.69 4.18 4.38 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 1.16 0.00 0.00 7 P 0.00 4.28 0.00 2.19 2.16 0.00 3.61 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 2.12 2.18 0.00 8 E 8.16 4.03 0.00 2.12 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 2.48 2.53 0.00 9 E 8.10 4.04 0.00 2.12 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 1.47 2.07 0.00 10 R 8.20 4.00 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 11 S 7.98 4.23 0.00 4.03 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 12 E 8.19 4.10 0.00 2.27 2.47 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 0.00 1.86 2.25 0.00 13 L 7.67 4.43 0.00 1.94 1.70 0.89 1.33 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 14 K 7.58 3.87 0.00 2.02 1.82 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 15 N 8.08 4.32 0.00 2.75 2.81 0.00 0.00 7.10 7.57 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 16 S 8.03 4.26 0.00 4.08 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 17 I 8.18 3.77 2.02 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 1.48 0.84 0.93 0.00 0.00 18 A 7.76 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.88 3.73 0.00 1.76 1.47 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 0.00 1.47 1.79 0.00 20 F 8.31 4.89 0.00 2.98 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 21 H 8.08 4.74 0.00 3.25 3.30 0.00 5.60 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.51 4.45 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 1.17 0.00 0.00 23 Y 8.42 4.52 0.00 2.91 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 24 Q 8.55 4.26 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 25 L 8.27 4.31 0.00 1.69 1.58 0.92 1.10 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 26 D 8.07 4.58 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.20 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 28 G 9.29 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 29 S 7.61 5.29 0.00 3.94 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 30 C 8.94 4.99 0.00 2.94 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 31 S 8.30 5.28 0.00 3.65 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.47 4.65 0.00 2.93 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 33 L 8.27 5.23 0.00 1.58 1.45 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.79 5.20 0.00 3.13 3.22 0.00 5.61 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 35 A 8.51 5.32 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 9.08 4.61 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 37 R 9.42 4.73 0.00 1.83 1.83 0.00 3.03 0.00 0.00 2.66 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.75 0.00 38 I 9.17 4.62 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.97 0.00 0.00 39 H 9.10 5.32 0.00 3.09 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.64 4.66 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 41 P 0.00 4.50 0.00 2.44 2.23 0.00 3.76 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 2.11 2.06 0.00 42 P 0.00 4.50 0.00 2.26 2.35 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.82 0.00 43 E 8.18 4.05 0.00 2.25 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 0.00 2.40 2.34 0.00 44 L 7.89 3.96 0.00 1.81 1.94 0.93 0.94 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 45 V 7.66 3.59 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 0.98 0.00 0.00 1.02 0.00 0.00 46 W 8.54 4.33 0.00 3.42 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 47 S 8.07 3.89 0.00 4.03 4.18 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 48 I 7.13 3.81 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0.00 0.00 0.00 8.03 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 57 T 7.50 3.93 4.42 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 1.25 0.00 0.00 58 Y 7.78 4.69 0.00 3.03 2.95 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 59 K 7.28 4.47 0.00 1.47 1.54 0.00 1.32 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.97 0.32 7.81 60 H 8.92 4.36 0.00 3.02 2.59 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 61 F 8.30 3.96 0.00 3.38 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 62 I 7.43 4.62 1.77 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.89 0.00 0.00 63 K 8.97 4.26 0.00 1.75 1.90 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.37 7.81 64 S 7.56 4.63 0.00 3.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.42 0.00 0.00 125 T 9.33 5.13 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 0.97 0.00 0.00 126 V 8.03 4.97 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 0.93 0.00 0.00 1.22 0.00 0.00 127 H 8.92 4.83 0.00 3.32 2.99 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.37 4.68 0.00 1.67 1.60 0.00 3.07 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.52 0.00 129 F 8.73 4.38 0.00 1.51 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 0.00 130 E 8.31 4.99 0.00 1.79 1.68 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 2.21 2.40 0.00 131 K 9.52 4.50 0.00 1.65 1.59 0.00 2.01 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.26 1.24 7.81 132 E 10.07 4.13 0.00 2.08 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 2.15 1.85 0.00 133 N 8.00 4.41 0.00 2.90 2.84 0.00 0.00 6.93 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 0.00 134 R 7.97 4.71 0.00 2.30 2.12 0.00 3.04 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 135 I 8.46 5.13 1.90 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 1.46 1.02 0.98 0.00 0.00 136 W 8.88 5.60 0.00 3.59 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 0.00 137 T 9.26 5.28 4.49 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 1.36 0.00 0.00 138 V 8.93 4.79 2.41 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 1.05 0.00 0.00 0.94 0.00 0.00 139 V 9.01 4.87 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 1.16 0.00 0.00 1.02 0.00 0.00 140 L 8.86 5.29 0.00 1.70 1.39 0.92 0.52 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 0.00 141 E 9.40 5.41 0.00 2.16 1.91 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 2.44 2.47 0.00 142 S 9.39 5.53 0.00 4.24 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 0.00 143 Y 8.17 5.12 0.00 2.25 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 0.00 144 V 8.21 4.57 1.04 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 0.51 0.00 0.00 0.79 0.00 0.00 145 V 8.62 4.98 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 0.98 0.00 0.00 1.19 0.00 0.00 146 D 9.15 4.92 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 0.00 147 M 9.01 4.52 0.00 1.87 2.11 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 148 P 0.00 4.43 0.00 2.06 1.99 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.10 0.00 149 E 8.76 4.29 0.00 1.89 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 0.00 2.17 2.26 0.00 150 G 8.40 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 *153 E 8.27 4.09 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 154 D 7.39 4.65 0.00 2.47 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 0.00 155 D 8.07 4.66 0.00 2.68 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 0.00 156 T 8.36 4.63 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 1.20 0.00 0.00 157 R 8.83 4.07 0.00 2.02 2.11 0.00 3.37 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 158 M 8.09 4.09 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.73 0.00 159 F 8.29 4.20 0.00 3.09 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 0.00 160 A 8.48 3.72 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 0.00 161 D 8.32 4.47 0.00 2.97 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 0.00 162 T 7.93 3.82 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 1.22 0.00 0.00 163 V 7.52 3.44 1.70 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 0.91 0.00 0.00 -0.02 0.00 0.00 164 V 7.56 3.58 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 1.14 0.00 0.00 1.12 0.00 0.00 165 K 7.85 3.90 0.00 2.03 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.53 7.81 166 L 8.05 4.01 0.00 1.80 1.62 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 167 N 8.60 4.50 0.00 2.98 2.93 0.00 0.00 7.07 6.36 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 0.00 168 L 8.31 4.15 0.00 1.92 1.80 1.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 169 Q 8.28 4.05 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 170 K 8.39 4.00 0.00 1.84 2.12 0.00 1.36 0.00 0.00 1.33 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.41 7.81 171 L 8.26 4.00 0.00 2.04 1.95 0.74 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.19 4.01 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 0.00 173 T 7.84 3.81 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 1.22 0.00 0.00 174 V 8.20 3.58 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 1.02 0.00 0.00 1.06 0.00 0.00 175 A 8.23 4.02 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 0.00 176 E 8.43 3.98 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 177 A 8.01 4.16 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 0.00 178 M 7.80 4.13 0.00 2.04 2.28 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 2.74 2.56 0.00 179 A 7.93 4.32 1.37 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.