NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 D 4.6222 8.3649 120.3167 53.5469 41.2128 176.6049 17 D 4.4223 7.9501 117.2905 52.8945 41.4471 176.3149 18 S 4.1858 8.4796 115.8846 61.0149 64.1839 174.6514 19 A 4.1500 7.7432 122.7242 51.5634 18.7864 177.0614 20 S 4.6466 8.1926 117.7061 56.6869 64.8312 174.4583 21 V 3.7684 8.0372 114.4713 61.4674 31.6997 176.5484 22 E 4.0900 8.7008 123.4214 56.4393 29.9367 176.6568 23 V 4.3555 8.0584 122.4228 58.9938 33.2744 173.9708 24 P 4.7307 0.0000 0.0000 63.0217 32.1590 175.5629 25 R 4.7585 8.8155 118.3233 54.1474 32.7833 174.8059 26 R 4.5915 8.5284 121.3066 55.9215 30.8341 175.9018 27 A 4.4383 8.9573 129.8471 52.4388 19.0593 177.2584 28 T 4.4574 9.0769 112.9913 59.2337 71.2982 173.9361 29 P 4.2084 0.0000 0.0000 65.7323 30.8732 178.5249 30 A 4.1877 7.6735 118.3425 54.1543 18.4885 178.1905 31 D 4.6549 8.2024 116.8193 54.2507 40.9848 177.8906 32 A 3.9860 7.9958 123.7253 55.4318 18.3761 180.0359 33 A 3.9526 7.9468 118.5449 55.4201 18.3133 179.7355 34 T 3.8257 7.8293 112.8496 66.8785 68.7016 176.4924 35 V 3.7708 7.8178 118.4326 65.8503 31.8585 177.3347 36 A 4.2644 8.3060 120.9183 55.2890 18.1206 180.3194 37 Q 4.2585 8.0432 116.0872 56.7112 29.0831 177.8808 *39 L 4.5762 7.9151 120.1619 54.7461 43.9994 178.7568 40 H 4.0896 8.5964 117.6582 59.5214 29.8215 177.1459 41 D 4.2975 8.5285 121.0171 57.2901 40.7710 178.6974 42 F 3.9930 8.1095 117.7900 60.5577 38.8055 177.3460 43 N 4.4677 8.0353 115.7220 56.6653 38.2059 177.6561 44 T 3.7838 8.0569 111.3955 64.8356 68.4838 175.9868 45 E 3.6979 8.0871 121.1633 57.8585 29.5682 177.7631 46 F 4.7333 7.4400 114.0167 56.5417 39.5065 176.0290 47 G 3.8138 7.5924 105.8106 45.9022 0.0000 173.6417 48 A 4.4903 7.9229 122.2756 49.8158 19.8276 176.7586 49 P 4.5208 0.0000 0.0000 63.2329 32.2527 175.6636 50 T 4.5806 7.8103 112.1132 60.1955 70.0939 171.6555 51 P 4.4979 0.0000 0.0000 62.0168 32.3147 176.8911 52 G 3.9061 8.3490 106.6019 44.7088 0.0000 174.8906 53 T 4.0250 8.2829 111.0745 64.3862 68.7933 176.5941 54 D 4.3138 8.0296 121.6526 57.2456 40.8995 178.0141 55 E 3.9241 8.1154 119.1620 59.2833 29.7340 178.6706 56 L 3.9742 8.0096 118.6931 57.7844 41.7413 179.2720 57 A 4.0218 8.2832 121.0092 55.2291 17.7960 179.6126 58 S 4.0292 8.1048 111.5390 61.5310 62.4345 176.3338 59 R 3.9505 8.1679 121.4467 59.5931 29.8125 178.5501 60 L 4.0319 8.4839 119.0563 57.7234 41.3536 179.5711 61 S 4.2635 8.1040 114.3484 61.2825 63.0477 175.7947 62 H 4.3779 7.8464 120.5371 58.9821 29.7726 177.0226 63 L 3.9882 8.2330 120.7130 57.9684 41.3990 179.7045 64 L 4.1235 8.1966 117.1988 57.0286 41.5926 178.8194 65 A 4.2624 7.8800 119.6436 54.7758 18.8064 176.8075 66 G 4.2590 7.8028 106.3249 44.0746 0.0000 172.9790 67 E 4.5726 8.4980 117.5518 56.0630 31.2826 176.5990 68 D 4.6638 8.1457 120.1440 56.3640 42.2928 176.3970 69 V 4.8963 7.8067 117.2053 60.9506 33.9328 174.9754 70 V 4.5597 9.1714 127.8461 61.0165 34.7631 174.1024 71 V 4.8991 8.3817 126.2364 61.1223 34.4182 173.7680 72 L 5.2321 8.9545 127.8331 53.0483 44.3641 175.3009 73 L 5.2397 9.2050 122.5592 52.8389 45.0863 175.2027 74 A 4.8504 9.1756 124.8515 51.1688 21.8617 176.3952 75 G 4.1061 9.7268 108.7443 45.2509 0.0000 172.7100 76 E 4.5405 8.1943 120.1393 53.3398 31.0379 173.4332 77 P 4.4972 0.0000 0.0000 61.5183 32.1837 174.6509 78 P 4.6653 0.0000 0.0000 62.8396 31.5362 176.3876 79 T 4.7247 8.8651 111.7531 61.3370 70.0304 173.8767 80 G 4.5543 7.9925 108.8927 45.1366 0.0000 171.5352 81 L 5.3626 8.8267 119.9320 54.1515 44.5264 174.4311 82 A 5.0785 8.9811 121.4119 50.0932 22.6789 175.1728 83 V 4.6517 8.5928 121.2909 61.0574 34.2152 174.2536 84 L 5.3168 9.1127 128.5111 52.8473 44.5211 175.6848 85 S 5.3336 8.6857 117.5243 56.5502 66.1317 172.9151 86 F 5.3448 8.9844 120.2848 56.0128 41.9422 174.6913 87 R 4.7574 8.6258 116.9756 54.6126 33.1175 172.8116 88 P 4.9720 0.0000 0.0000 62.4678 32.9065 175.0276 89 N 4.9257 8.3041 116.7766 52.6070 41.6280 175.5897 90 V 3.4934 8.3098 118.1755 63.4455 31.7002 176.9379 91 W 4.8204 8.3531 117.8575 56.8253 29.5924 175.7029 92 Y 4.9288 7.6583 115.7146 55.2803 40.9638 173.9929 93 P 4.3628 0.0000 0.0000 64.8401 31.8596 176.4716 94 G 4.2741 8.0542 106.4303 41.9121 0.0000 170.7030 95 P 4.7108 0.0000 0.0000 62.7946 33.0549 175.2722 96 V 4.3088 8.7377 120.8527 61.2762 33.4984 174.4086 97 A 4.8279 8.4558 128.7841 50.0995 22.0682 175.2091 98 I 4.6200 8.0638 120.8037 59.3307 40.4698 175.4875 99 L 4.4621 8.6421 129.8778 54.3891 39.7856 175.8013 100 D 4.4797 8.7092 124.2233 56.6641 41.5873 176.5165 101 E 4.4196 7.6268 115.5072 54.6559 34.3353 174.5755 102 L 4.6912 8.0957 123.9297 53.8482 44.8510 175.0663 103 Y 4.5565 8.7458 125.9537 56.3062 39.5781 175.6271 104 V 4.9136 7.7769 116.3443 59.2651 36.1957 175.9124 105 R 4.2988 8.7800 121.7639 55.3408 30.7144 174.9615 106 P 4.3903 0.0000 0.0000 63.8596 32.0181 175.6219 107 G 3.8591 8.6895 105.2808 44.5752 0.0000 174.8239 108 R 3.8807 8.6539 116.7882 59.1215 29.9584 179.1925 109 R 3.9648 8.0761 118.0486 59.5472 30.1565 178.5221 110 G 4.2268 8.0369 106.1709 47.6974 0.0000 174.8403 111 H 4.2014 8.4545 120.7499 58.8769 29.8335 177.6677 112 R 3.9848 8.1491 120.0602 59.1807 29.8960 178.9731 113 L 4.1167 7.9608 118.7220 57.7032 41.6040 179.5801 114 G 3.6274 8.5975 105.9965 48.0581 0.0000 175.5042 115 S 4.2475 8.4261 115.5089 61.0459 62.4110 176.1340 116 A 4.0444 8.1913 123.4587 55.1616 18.1174 179.6318 117 L 3.9857 8.4243 118.0120 57.7320 41.6918 179.5079 118 L 4.0370 8.3072 120.1827 58.1568 42.2071 178.8668 119 A 4.0247 8.0256 120.2368 55.2042 18.3228 179.4722 120 A 4.0030 8.2081 119.2611 55.3304 18.3793 180.0334 121 S 4.1316 8.3264 113.7481 62.0240 62.9256 176.7092 122 C 4.2636 8.3650 119.5150 62.6978 27.8531 176.3853 123 G 3.6430 8.0450 107.0828 47.7697 0.0000 175.4900 124 L 4.0020 8.1269 123.0793 57.6879 42.0737 179.0963 125 V 3.8771 8.0869 118.2831 66.2828 31.4241 178.0691 126 R 4.1974 8.4030 119.2751 58.8015 29.7200 179.1970 127 S 4.1362 8.0608 112.6824 61.2501 62.9569 175.8809 128 R 4.2436 7.6101 118.5171 55.8877 30.0905 177.1071 129 G 3.8984 8.3229 108.1813 45.6913 0.0000 173.5787 130 G 3.9113 8.2275 108.6283 44.0402 0.0000 174.7289 131 A 4.7777 8.2842 123.0708 51.1765 20.2653 175.7011 132 L 4.5080 7.3723 119.0786 53.8415 45.6760 174.0253 133 L 5.1829 8.4891 127.8820 53.3439 44.2830 175.0682 134 E 4.9745 9.1158 125.4323 54.8940 32.9385 175.0334 135 I 4.7343 8.0368 120.7749 59.8492 41.5182 174.1939 136 N 4.7635 8.4127 122.1619 51.3048 40.4460 174.5399 137 V 4.2960 7.8835 121.7888 60.4426 34.6953 174.4598 138 D 4.4294 8.6241 126.6109 54.0401 41.6623 177.2841 139 G 3.6332 8.7014 115.3863 48.4813 0.0000 174.2347 140 E 4.0341 9.2793 120.5823 58.2221 30.3687 177.4015 141 D 4.6476 7.8961 120.5002 53.3369 37.9802 176.2704 142 T 3.9209 7.7537 120.3874 66.4190 68.9763 175.7280 143 D 4.2994 8.0126 120.1398 57.2887 40.8860 178.4823 144 A 3.8028 8.0633 120.8352 55.0931 18.3975 179.8228 145 R 3.9752 8.1163 116.6154 59.5749 30.3098 179.3018 146 R 3.9337 8.3084 118.6495 59.2064 29.8025 178.3742 147 F 3.9939 7.9213 119.6850 61.5870 39.6814 176.5310 148 Y 4.2549 8.1192 116.6045 61.0734 37.4251 178.1367 149 E 4.4613 8.5874 119.8441 58.6592 29.6498 178.6652 150 A 4.2591 7.7902 118.7187 53.2314 18.7567 177.5852 151 R 4.4803 8.0893 116.9384 55.7326 31.0186 176.7682 152 G 3.8887 8.7631 105.4500 45.2367 0.0000 174.0409 153 F 4.5427 8.0171 118.4746 56.4378 40.4130 174.6723 154 T 4.7250 8.2335 117.3356 60.5119 70.0390 173.1700 155 N 4.9211 8.7062 121.4893 52.5857 38.1267 174.2302 156 T 4.6948 7.5529 108.5225 59.7544 71.7004 173.8189 157 E 4.2691 8.4927 123.3582 55.4805 30.5091 176.3409 158 P 4.1914 0.0000 0.0000 66.0034 31.3664 177.6054 159 N 4.7119 8.0747 111.9810 53.1336 38.6333 175.3835 160 G 3.8957 7.6075 107.9632 45.4041 0.0000 174.0190 161 T 4.3848 8.2634 114.4117 61.9497 68.6919 173.5942 162 E 4.7728 7.7151 116.5933 54.4739 32.9417 174.5933 163 P 5.0316 0.0000 0.0000 61.1476 30.5602 175.8646 *165 L 4.1378 8.2077 121.7190 55.8390 42.7920 175.2352 166 Y 4.7143 8.5247 122.6595 56.2925 39.8754 174.4005 167 Y 4.5136 8.1751 124.4558 56.2839 40.8874 174.2679 168 Y 4.7758 7.6109 119.3215 55.5683 41.2339 174.2965 169 R 4.3356 8.2426 119.5729 54.5752 32.8861 174.1515 170 E 4.3998 8.8912 125.2068 55.9253 30.4724 176.6300 171 L 4.3530 8.4894 122.2665 54.9021 42.1352 176.2760 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 16 D 8.36 4.62 0.00 2.78 2.87 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 17 D 7.95 4.42 0.00 2.77 2.76 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 18 S 8.48 4.19 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 4.15 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 20 S 8.19 4.65 0.00 3.87 3.84 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 0.00 0.00 0.00 0.00 21 V 8.04 3.77 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 0.71 0.00 0.00 0.94 0.00 0.00 22 E 8.70 4.09 0.00 2.23 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 2.31 1.87 0.00 23 V 8.06 4.36 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 0.76 0.00 0.00 0.95 0.00 0.00 24 P 0.00 4.73 0.00 1.98 2.13 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 25 R 8.82 4.76 0.00 1.84 2.01 0.00 2.78 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 26 R 8.53 4.59 0.00 1.86 1.88 0.00 3.24 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 27 A 8.96 4.44 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 28 T 9.08 4.46 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 1.22 0.00 0.00 29 P 0.00 4.21 0.00 2.18 2.16 0.00 3.60 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 2.11 2.27 0.00 30 A 7.67 4.19 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 31 D 8.20 4.65 0.00 2.85 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 32 A 8.00 3.99 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 33 A 7.95 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.83 3.83 4.43 0.00 0.00 0.00 0.00 0.00 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 35 V 7.82 3.77 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 0.85 0.00 0.00 1.01 0.00 0.00 36 A 8.31 4.26 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 37 Q 8.04 4.26 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.33 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 *39 L 7.92 4.58 0.00 2.07 1.91 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.60 4.09 0.00 3.41 3.50 0.00 5.78 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 41 D 8.53 4.30 0.00 2.66 2.53 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 42 F 8.11 3.99 0.00 2.75 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 0.00 0.00 0.00 0.00 43 N 8.04 4.47 0.00 2.93 3.10 0.00 0.00 6.81 8.06 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 44 T 8.06 3.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 45 E 8.09 3.70 0.00 1.88 1.57 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 1.64 2.02 0.00 46 F 7.44 4.73 0.00 3.10 3.03 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 47 G 7.59 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 48 A 7.92 4.49 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 49 P 0.00 4.52 0.00 2.20 2.07 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 50 T 7.81 4.58 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 1.04 0.00 0.00 51 P 0.00 4.50 0.00 2.12 2.31 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 52 G 8.35 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.28 4.03 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 1.22 0.00 0.00 54 D 8.03 4.31 0.00 2.71 2.76 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 55 E 8.12 3.92 0.00 2.05 2.11 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 2.40 2.42 0.00 56 L 8.01 3.97 0.00 1.79 1.74 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.28 4.02 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 58 S 8.10 4.03 0.00 3.93 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 59 R 8.17 3.95 0.00 2.01 2.08 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 60 L 8.48 4.03 0.00 1.90 1.72 1.02 0.89 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 61 S 8.10 4.26 0.00 4.03 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 62 H 7.85 4.38 0.00 3.24 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.23 3.99 0.00 1.74 1.73 0.95 0.85 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 64 L 8.20 4.12 0.00 1.67 1.74 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.88 4.26 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 66 G 7.80 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.50 4.57 0.00 1.83 1.76 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 2.13 2.14 0.00 68 D 8.15 4.66 0.00 2.64 2.76 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 69 V 7.81 4.90 2.11 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 0.84 0.00 0.00 0.96 0.00 0.00 70 V 9.17 4.56 2.33 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 0.95 0.00 0.00 0.97 0.00 0.00 71 V 8.38 4.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.93 0.00 0.00 72 L 8.95 5.23 0.00 1.62 1.55 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.20 5.24 0.00 1.53 1.56 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 74 A 9.18 4.85 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 75 G 9.73 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 76 E 8.19 4.54 0.00 1.87 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 2.19 2.35 0.00 77 P 0.00 4.50 0.00 2.23 2.05 0.00 3.84 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 2.00 1.99 0.00 78 P 0.00 4.67 0.00 2.12 2.09 0.00 3.69 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 79 T 8.87 4.72 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 80 G 7.99 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.83 5.36 0.00 1.90 1.76 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.98 5.08 1.19 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 83 V 8.59 4.65 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 0.91 0.00 0.00 0.80 0.00 0.00 84 L 9.11 5.32 0.00 1.64 1.25 1.01 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.69 5.33 0.00 3.83 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 86 F 8.98 5.34 0.00 2.88 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.63 4.76 0.00 1.89 2.00 0.00 2.79 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 88 P 0.00 4.97 0.00 1.98 2.07 0.00 3.73 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 2.04 2.10 0.00 89 N 8.30 4.93 0.00 2.78 2.83 0.00 0.00 6.89 7.71 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 90 V 8.31 3.49 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 0.53 0.00 0.00 -0.31 0.00 0.00 91 W 8.35 4.82 0.00 3.15 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 92 Y 7.66 4.93 0.00 3.01 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 93 P 0.00 4.36 0.00 2.23 2.23 0.00 3.96 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 94 G 8.05 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 0.00 0.00 0.00 0.00 95 P 0.00 4.71 0.00 2.42 2.32 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.06 0.00 96 V 8.74 4.31 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 0.85 0.00 0.00 0.69 0.00 0.00 97 A 8.46 4.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.06 4.62 1.89 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 1.05 0.62 0.91 0.00 0.00 99 L 8.64 4.46 0.00 1.50 1.37 0.91 1.07 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 0.00 100 D 8.71 4.48 0.00 2.61 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 0.00 101 E 7.63 4.42 0.00 1.27 1.12 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 2.00 1.78 0.00 102 L 8.10 4.69 0.00 1.53 1.48 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.75 4.56 0.00 2.29 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 4.91 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 0.68 0.00 0.00 0.77 0.00 0.00 105 R 8.78 4.30 0.00 1.92 1.93 0.00 3.29 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.60 0.00 106 P 0.00 4.39 0.00 2.21 2.05 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 107 G 8.69 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 0.00 108 R 8.65 3.88 0.00 1.87 2.00 0.00 3.14 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 1.71 1.68 0.00 109 R 8.08 3.96 0.00 1.98 1.95 0.00 3.30 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.28 0.00 110 G 8.04 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.45 4.20 0.00 3.23 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.15 3.98 0.00 2.12 2.00 0.00 3.18 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 1.70 1.93 0.00 113 L 7.96 4.12 0.00 1.92 1.74 0.97 0.84 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 0.00 114 G 8.60 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 0.00 115 S 8.43 4.25 0.00 4.07 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 0.00 116 A 8.19 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 3.99 0.00 1.91 1.75 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.31 4.04 0.00 2.00 1.95 1.16 1.03 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 0.00 119 A 8.03 4.02 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 0.00 120 A 8.21 4.00 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 0.00 121 S 8.33 4.13 0.00 4.12 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 0.00 122 C 8.37 4.26 0.00 3.15 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.05 3.64 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 0.00 0.00 0.00 124 L 8.13 4.00 0.00 1.91 1.91 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.09 3.88 2.25 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 1.09 0.00 0.00 0.95 0.00 0.00 126 R 8.40 4.20 0.00 2.08 1.99 0.00 3.20 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 127 S 8.06 4.14 0.00 4.02 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 0.00 128 R 7.61 4.24 0.00 2.02 1.89 0.00 3.16 0.00 0.00 2.89 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.18 0.00 129 G 8.32 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 0.00 130 G 8.23 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.28 4.78 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 0.00 132 L 7.37 4.51 0.00 1.43 1.11 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.49 5.18 0.00 1.59 1.45 0.86 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 134 E 9.12 4.97 0.00 1.87 1.79 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 2.22 2.21 0.00 135 I 8.04 4.73 1.37 0.00 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.10 0.40 0.00 0.00 136 N 8.41 4.76 0.00 2.09 1.96 0.00 0.00 6.66 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.88 4.30 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 0.84 0.00 0.00 0.80 0.00 0.00 138 D 8.62 4.43 0.00 2.69 2.51 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 0.00 139 G 8.70 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 0.00 140 E 9.28 4.03 0.00 2.18 2.11 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 2.32 2.12 0.00 141 D 7.90 4.65 0.00 2.74 2.66 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 0.00 142 T 7.75 3.92 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 1.22 0.00 0.00 143 D 8.01 4.30 0.00 2.63 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 0.00 144 A 8.06 3.80 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 0.00 0.00 0.00 0.00 0.00 145 R 8.12 3.98 0.00 2.05 2.05 0.00 3.23 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 146 R 8.31 3.93 0.00 1.99 2.09 0.00 3.11 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 147 F 7.92 3.99 0.00 2.97 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 0.00 148 Y 8.12 4.25 0.00 3.01 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 0.00 149 E 8.59 4.46 0.00 2.07 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 2.43 2.39 0.00 150 A 7.79 4.26 1.29 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 0.00 0.00 151 R 8.09 4.48 0.00 1.65 1.90 0.00 2.21 0.00 0.00 2.74 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.00 152 G 8.76 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.02 4.54 0.00 3.35 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 0.00 154 T 8.23 4.72 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 1.26 0.00 0.00 155 N 8.71 4.92 0.00 3.01 3.05 0.00 0.00 5.50 7.22 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 0.00 156 T 7.55 4.69 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 157 E 8.49 4.27 0.00 2.05 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 2.40 2.34 0.00 158 P 0.00 4.19 0.00 2.02 2.10 0.00 3.65 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 2.01 2.10 0.00 159 N 8.07 4.71 0.00 2.69 2.82 0.00 0.00 6.85 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 0.00 160 G 7.61 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 0.00 161 T 8.26 4.38 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 1.22 0.00 0.00 162 E 7.72 4.77 0.00 2.08 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 2.20 2.36 0.00 163 P 0.00 5.03 0.00 2.09 2.02 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 *165 L 8.21 4.14 0.00 1.92 1.69 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 166 Y 8.52 4.71 0.00 2.90 2.87 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 0.00 167 Y 8.18 4.51 0.00 2.79 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 0.00 168 Y 7.61 4.78 0.00 3.03 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 R 8.24 4.34 0.00 1.65 1.77 0.00 3.20 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 170 E 8.89 4.40 0.00 2.09 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 2.47 2.67 0.00 171 L 8.49 4.35 0.00 1.63 1.55 0.94 0.88 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 * Residues marked with a * may have inaccurate shift predictions.