NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8855 8.3649 120.2881 53.2692 42.2986 172.0212 6 F 4.5716 9.1484 118.6883 56.9188 39.0143 171.6137 7 E 4.2500 7.5215 126.6087 57.1562 32.4869 172.2325 8 E 3.7677 8.3982 121.9579 56.2070 28.0956 172.5830 9 K 4.6087 8.5328 126.8454 54.6191 35.2079 174.1172 10 M 4.6158 8.5830 127.1977 55.3056 33.4417 173.7925 11 I 4.0338 8.5995 129.9187 62.4494 37.5094 178.1967 12 L 4.8135 9.1741 132.5227 55.0736 44.3761 176.3029 13 I 5.3957 8.0424 118.5938 60.0399 41.2899 174.8936 14 R 4.7682 9.0286 121.1725 54.7451 33.5864 174.1289 15 R 4.3545 8.5385 120.5400 54.6679 31.1412 175.1369 16 T 4.4537 8.2409 117.6742 61.4670 70.9723 173.0897 17 A 4.6358 8.0505 121.2349 50.7549 21.9184 175.7226 18 R 4.6430 8.5058 116.7379 54.6386 33.1351 174.3715 19 M 5.0178 8.1946 118.6037 54.0877 35.0048 175.7423 20 Q 4.2910 8.9591 120.1565 55.5507 32.6758 173.1650 21 A 3.9898 8.2738 127.0337 52.4587 18.8055 176.6865 22 G 4.0269 9.2066 111.3646 45.1870 0.0000 174.1385 23 G 3.6617 7.0047 106.6283 44.5284 0.0000 172.0057 24 R 4.8171 8.0385 117.2987 54.4105 32.0646 175.6975 25 R 4.4853 8.4262 121.6081 54.8614 32.7006 175.6118 26 F 4.8095 8.7187 125.3575 57.5687 41.5035 174.5594 27 R 4.5254 7.3805 117.1935 56.7773 32.8794 173.7514 28 F 5.2224 8.7975 122.7075 55.7772 43.3112 174.5549 29 G 4.2876 8.9379 106.5682 44.6963 0.0000 171.4067 30 A 5.2409 9.1556 125.9949 49.9118 22.5743 174.8946 31 L 5.1187 8.9312 124.3591 53.6726 43.4376 174.7104 32 V 4.4792 8.6790 126.4029 61.0499 34.0722 174.9169 33 V 4.8724 8.5968 127.5331 61.8715 34.4611 174.7236 34 V 4.7405 8.1917 121.3560 61.0867 35.0924 173.0357 35 G 4.7009 8.2671 110.0137 45.9606 0.0000 172.4862 36 D 4.8920 9.1227 116.6020 52.5708 41.2921 177.0392 37 R 4.2817 8.3529 116.6184 56.2831 28.0809 176.0727 38 Q 4.5625 10.7000 113.8889 55.8114 29.8634 175.9111 39 G 4.1705 8.7274 107.1983 45.3234 0.0000 174.3284 40 R 4.6044 8.1114 119.1915 54.8036 33.6373 174.5887 41 V 4.9336 8.2601 117.2200 59.4362 35.8513 175.3405 42 G 4.3789 9.1310 109.1708 44.5828 0.0000 171.2052 43 L 5.2751 8.2378 123.3383 52.9511 44.7483 175.9700 44 G 4.4257 9.2258 112.7320 44.3837 0.0000 171.2676 45 F 5.4929 8.9314 123.8439 56.2980 41.8918 174.0379 46 G 4.2000 8.8784 113.8059 44.1944 0.0000 171.4228 47 K 5.1662 8.3006 120.3363 54.4346 35.2334 175.4050 48 A 4.7670 9.0772 124.9542 50.0978 22.7394 175.4529 49 P 4.4998 0.0000 0.0000 64.5735 31.9318 177.0983 50 E 4.4876 7.8199 118.3280 53.1454 33.6985 174.8344 51 V 3.2951 7.5321 125.7018 65.8135 31.5238 176.1972 52 P 4.3505 0.0000 0.0000 65.7415 31.1580 178.3298 53 L 3.9182 7.8597 116.4601 57.7819 41.6513 178.9395 54 A 4.0407 8.3663 120.9074 55.6214 18.1222 179.8779 55 V 3.6149 8.4021 115.9945 66.5446 31.6727 177.2016 56 Q 4.1065 8.1338 119.9790 57.6056 28.7849 177.6423 57 K 3.9550 9.1746 119.3175 59.8394 32.4318 178.6719 58 A 4.3584 8.2568 120.8017 55.6197 18.0193 179.9671 59 G 3.6593 8.5655 104.2338 47.8258 0.0000 175.4347 60 Y 4.2755 8.2330 122.1110 61.0326 38.9281 177.3484 61 Y 3.6817 7.6395 116.7152 60.9954 37.7029 177.1263 62 A 3.9701 8.2039 121.5251 55.6362 18.4103 179.2110 63 R 3.8073 7.8880 116.8939 59.0141 30.4303 179.1751 64 R 4.1631 7.3763 117.4263 58.3377 30.5497 177.4502 65 N 4.6627 8.1829 124.3679 52.0751 38.6933 173.2708 66 M 5.0821 8.0052 126.0319 53.2500 35.8959 175.2766 67 V 4.6222 8.1373 118.1913 60.2180 34.8811 174.2283 68 E 4.3049 8.9041 123.0889 56.5066 30.4696 176.4239 69 V 4.3318 8.1918 121.7147 59.6958 33.9069 174.9734 70 P 4.5710 0.0000 0.0000 62.4091 28.9447 174.8147 71 L 4.2056 7.3966 120.0913 56.1878 42.3339 178.2018 72 Q 4.5353 8.5381 113.9222 56.6502 30.8975 173.0394 73 N 4.3288 9.0038 123.4539 54.0251 35.8973 174.2501 74 G 4.0385 8.8884 100.8737 46.5140 0.0000 173.7034 75 T 4.6056 7.2459 111.1920 60.1993 70.8105 172.3213 76 I 3.7531 8.2349 127.0851 60.3258 38.6512 173.8207 77 P 5.2501 0.0000 0.0000 65.1953 31.7403 175.2729 78 H 5.1968 7.5496 117.7014 54.0486 31.4955 172.0198 79 E 5.0006 9.0793 114.9893 54.7064 32.9170 174.9106 80 I 4.8679 8.4285 113.9538 59.7562 42.1075 173.4484 81 E 5.1558 8.5278 120.1947 55.0777 33.3888 175.4111 82 V 4.4956 9.1034 124.0379 61.2217 35.0011 173.8086 83 E 5.1217 8.9249 126.6164 54.9589 32.1274 176.1945 84 F 4.6494 9.5814 125.7109 57.5266 41.4128 174.8831 85 G 3.6483 7.9651 120.1222 46.4847 0.0000 172.9182 86 A 4.3946 8.4023 126.9575 52.0796 19.5045 176.4436 87 S 5.1942 7.7531 113.2471 56.5288 64.9351 173.3382 88 K 5.0290 9.3461 125.3535 54.6171 35.4030 174.5639 89 I 5.0119 9.0939 127.1464 59.1348 41.6959 173.9086 90 V 4.8681 8.5453 127.7157 61.0436 34.6062 174.0040 91 L 5.1942 9.3411 127.5632 52.8053 44.9717 175.4628 92 K 4.6021 9.3652 125.0320 53.6574 34.9123 173.2789 93 P 4.5471 0.0000 0.0000 63.5335 31.4101 175.2718 94 A 4.9398 8.2502 122.1130 49.7832 22.0499 175.9878 95 A 4.1391 8.5934 122.2839 50.9152 19.2943 175.9152 96 P 4.5635 0.0000 0.0000 63.4130 32.3340 176.3223 97 G 3.9087 8.8059 108.2156 47.7409 0.0000 173.8490 98 T 4.2558 8.9123 115.2577 63.5277 71.2364 176.8054 99 G 4.1892 8.3814 105.1083 44.2116 0.0000 172.1988 100 V 4.3257 7.9673 113.1566 60.2976 32.6736 175.8186 101 I 4.4545 7.8733 119.9991 59.7323 39.6198 174.6091 102 A 4.3700 8.1601 127.3930 51.1820 22.3645 174.9915 103 G 3.9060 8.5595 107.0195 44.7657 0.0000 174.6388 104 A 4.0302 8.4113 120.2017 55.1391 18.0411 179.5993 105 V 3.5960 7.7412 117.1834 65.0754 31.7847 175.9297 106 P 4.1968 0.0000 0.0000 66.3275 30.9027 177.7655 107 R 3.7846 8.1629 117.7897 59.2339 29.8038 178.2540 108 A 3.9345 8.1641 120.2014 55.3317 18.5035 179.6536 109 I 3.6303 7.4913 118.0990 64.5004 37.2735 178.4430 110 L 3.9513 7.8488 119.6631 58.0117 41.5167 179.3516 111 E 3.9740 8.6746 118.4464 59.7168 29.4824 179.4629 112 L 4.2117 7.7657 117.2323 56.5505 41.8030 178.8907 113 A 4.2377 7.9090 121.4551 53.0376 18.2517 178.6570 114 G 4.1501 7.6169 105.6716 45.6014 0.0000 174.1094 115 V 3.9482 7.6810 118.7692 62.7549 32.5254 175.1392 116 T 4.5348 8.7801 120.3835 64.7513 71.3185 173.9304 117 D 5.1799 7.5181 119.8781 52.4995 44.9644 174.5081 118 I 4.2504 8.0366 118.0952 60.3435 42.6568 172.6512 119 L 4.7007 8.6002 130.7499 54.2951 43.0269 175.9551 120 T 5.6831 8.0117 111.8596 60.2158 72.2370 173.0776 121 K 4.6486 8.4994 123.6088 54.8293 36.2001 174.3183 122 E 4.8799 8.7394 125.9769 55.2472 31.4180 175.0182 123 L 4.6502 9.2687 124.2710 54.3081 46.0153 177.9068 124 G 3.5669 8.8211 109.8702 44.0557 0.0000 172.0938 125 S 3.9912 8.2247 112.3031 59.5555 62.4574 175.6914 126 R 4.4432 8.4085 125.5757 56.0952 30.3654 176.0348 127 N 4.2291 7.9643 117.3713 53.5252 39.4577 172.7941 128 P 4.1360 0.0000 0.0000 66.1395 31.4988 177.9613 129 I 3.4441 7.3051 117.3083 64.8391 36.9545 178.0409 130 N 4.6122 8.1469 115.9638 56.5902 38.5960 177.3433 131 I 3.6106 8.3678 121.2448 64.4281 37.0884 177.8402 132 A 3.8399 8.5695 122.3613 55.6076 18.1106 179.0237 133 Y 4.1257 7.4888 113.9106 61.2689 38.1062 178.7804 134 A 3.9922 8.5453 122.3093 55.8256 18.3935 179.8927 135 T 3.7999 8.2539 114.0685 67.8335 68.5911 175.9616 136 M 3.9137 8.4491 119.8945 58.1316 31.5666 178.6590 137 E 3.8096 8.3216 121.5188 60.4199 30.3307 178.8959 138 A 3.8435 8.1179 119.5070 54.6700 18.1572 179.2963 139 L 3.9396 8.1502 114.9149 57.5718 42.1162 179.9154 140 R 4.0583 7.6771 115.1910 58.0109 30.0850 176.3704 141 Q 4.6101 8.3762 115.4056 56.1607 29.9432 175.5766 142 L 4.3365 8.2604 118.8994 54.5470 42.3605 176.4563 143 R 4.7948 8.2636 119.3213 53.9975 33.9857 175.1139 144 T 4.6913 9.8154 111.0352 59.5454 72.6575 175.2016 145 K 3.9032 8.7226 123.2877 60.7053 32.2203 177.3890 146 A 4.1338 8.2708 121.0167 54.7637 17.9353 177.8038 147 D 4.4854 7.8495 116.7770 54.1257 39.9444 178.4722 148 V 3.8940 7.5845 121.0784 65.6605 32.1372 177.3329 149 E 4.1259 7.9848 114.6926 57.7952 29.4215 177.7253 150 R 4.3422 7.8153 118.7537 56.9367 30.4317 176.0483 151 L 4.4765 8.3880 115.9751 55.2171 42.9228 176.3618 152 R 4.5409 7.4087 116.4298 54.5015 31.1822 174.4478 153 K 4.4007 9.3225 120.3389 56.0020 35.2526 177.7489 154 G 4.9694 7.8900 122.1013 46.8734 0.0000 172.6436 *155 E 4.1319 7.6274 117.7814 56.2117 30.4399 177.5766 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 5 D 8.36 4.89 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 6 F 9.15 4.57 0.00 3.01 2.61 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 7 E 7.52 4.25 0.00 1.92 2.15 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 2.24 2.28 0.00 8 E 8.40 3.77 0.00 2.17 1.98 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 2.23 2.31 0.00 9 K 8.53 4.61 0.00 1.86 1.61 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.35 7.81 10 M 8.58 4.62 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 11 I 8.60 4.03 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 0.90 0.00 0.00 12 L 9.17 4.81 0.00 1.70 1.80 0.98 0.62 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 13 I 8.04 5.40 1.94 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 1.45 0.57 1.03 0.00 0.00 14 R 9.03 4.77 0.00 1.92 2.03 0.00 2.77 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 15 R 8.54 4.35 0.00 1.75 1.80 0.00 2.65 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 16 T 8.24 4.45 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 1.24 0.00 0.00 17 A 8.05 4.64 0.76 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 0.00 0.00 18 R 8.51 4.64 0.00 1.81 1.93 0.00 2.71 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 19 M 8.19 5.02 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 20 Q 8.96 4.29 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 21 A 8.27 3.99 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 22 G 9.21 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 0.00 0.00 0.00 23 G 7.00 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 0.00 0.00 0.00 24 R 8.04 4.82 0.00 1.25 1.69 0.00 3.05 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.11 0.00 25 R 8.43 4.49 0.00 1.79 1.70 0.00 3.08 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 26 F 8.72 4.81 0.00 2.84 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 27 R 7.38 4.53 0.00 1.87 1.68 0.00 3.12 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 28 F 8.80 5.22 0.00 3.04 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 29 G 8.94 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 0.00 0.00 0.00 0.00 30 A 9.16 5.24 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.93 5.12 0.00 1.96 1.66 0.83 0.64 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 32 V 8.68 4.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.03 0.00 0.00 33 V 8.60 4.87 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 0.95 0.00 0.00 0.92 0.00 0.00 34 V 8.19 4.74 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 0.51 0.00 0.00 0.95 0.00 0.00 35 G 8.27 4.70 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 0.00 36 D 9.12 4.89 0.00 2.81 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 37 R 8.35 4.28 0.00 1.93 2.35 0.00 3.12 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 38 Q 10.70 4.56 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 39 G 8.73 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 0.00 0.00 0.00 0.00 40 R 8.11 4.60 0.00 2.23 1.89 0.00 3.16 0.00 0.00 3.63 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 41 V 8.26 4.93 2.04 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 0.83 0.00 0.00 0.91 0.00 0.00 42 G 9.13 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 0.00 0.00 0.00 0.00 43 L 8.24 5.28 0.00 1.67 1.57 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.23 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 0.00 0.00 0.00 0.00 45 F 8.93 5.49 0.00 2.90 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 46 G 8.88 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.30 5.17 0.00 1.50 1.63 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 0.89 7.81 48 A 9.08 4.77 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 49 P 0.00 4.50 0.00 2.12 2.21 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 50 E 7.82 4.49 0.00 2.00 1.67 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 2.19 2.27 0.00 51 V 7.53 3.30 1.78 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 0.90 0.00 0.00 -0.18 0.00 0.00 52 P 0.00 4.35 0.00 2.12 2.07 0.00 3.48 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 2.03 2.13 0.00 53 L 7.86 3.92 0.00 1.81 1.73 0.93 0.83 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 54 A 8.37 4.04 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 55 V 8.40 3.61 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 0.84 0.00 0.00 0.96 0.00 0.00 56 Q 8.13 4.11 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.42 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 57 K 9.17 3.95 0.00 1.97 2.24 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.81 7.81 58 A 8.26 4.36 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.57 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 0.00 0.00 0.00 60 Y 8.23 4.28 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.64 3.68 0.00 3.02 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 62 A 8.20 3.97 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 63 R 7.89 3.81 0.00 1.84 2.10 0.00 3.33 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 64 R 7.38 4.16 0.00 1.46 2.02 0.00 3.11 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 65 N 8.18 4.66 0.00 2.87 2.71 0.00 0.00 7.10 7.14 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 66 M 8.01 5.08 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.33 0.00 67 V 8.14 4.62 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 0.76 0.00 0.00 0.92 0.00 0.00 68 E 8.90 4.30 0.00 2.00 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 0.00 2.28 2.31 0.00 69 V 8.19 4.33 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 0.81 0.00 0.00 0.96 0.00 0.00 70 P 0.00 4.57 0.00 2.21 2.09 0.00 3.83 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 1.96 1.97 0.00 71 L 7.40 4.21 0.00 1.66 1.70 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.54 4.54 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.11 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 73 N 9.00 4.33 0.00 2.93 2.94 0.00 0.00 7.23 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 74 G 8.89 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 0.00 0.00 0.00 75 T 7.25 4.61 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 1.28 0.00 0.00 76 I 8.23 3.75 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.84 0.89 0.00 0.00 77 P 0.00 5.25 0.00 2.33 2.17 0.00 3.29 0.00 0.00 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 78 H 7.55 5.20 0.00 3.08 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.08 5.00 0.00 1.95 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 0.00 2.18 2.39 0.00 80 I 8.43 4.87 1.90 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 1.24 0.94 1.02 0.00 0.00 81 E 8.53 5.16 0.00 1.83 1.86 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 2.22 2.31 0.00 82 V 9.10 4.50 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 1.09 0.00 0.00 0.98 0.00 0.00 83 E 8.92 5.12 0.00 1.91 1.86 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 2.25 2.30 0.00 84 F 9.58 4.65 0.00 3.01 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 85 G 7.97 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 0.00 0.00 0.00 86 A 8.40 4.39 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 87 S 7.75 5.19 0.00 4.07 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 0.00 0.00 0.00 0.00 0.00 88 K 9.35 5.03 0.00 1.75 1.72 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.37 7.81 89 I 9.09 5.01 1.89 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 1.12 1.61 1.04 0.00 0.00 90 V 8.55 4.87 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 0.99 0.00 0.00 0.94 0.00 0.00 91 L 9.34 5.19 0.00 1.52 1.51 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.37 4.60 0.00 1.73 1.69 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.37 7.81 93 P 0.00 4.55 0.00 2.11 2.35 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 94 A 8.25 4.94 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 95 A 8.59 4.14 1.25 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 0.00 0.00 0.00 96 P 0.00 4.56 0.00 2.05 2.04 0.00 3.87 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 97 G 8.81 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 98 T 8.91 4.26 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 1.21 0.00 0.00 99 G 8.38 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 0.00 100 V 7.97 4.33 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 0.79 0.00 0.00 0.93 0.00 0.00 101 I 7.87 4.45 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 1.16 1.23 0.96 0.00 0.00 102 A 8.16 4.37 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.56 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 0.00 104 A 8.41 4.03 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 0.00 105 V 7.74 3.60 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 1.02 0.00 0.00 0.90 0.00 0.00 106 P 0.00 4.20 0.00 2.29 2.30 0.00 3.74 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 2.24 2.13 0.00 107 R 8.16 3.78 0.00 1.91 2.25 0.00 3.13 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 108 A 8.16 3.93 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 0.00 109 I 7.49 3.63 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.66 0.89 0.00 0.00 110 L 7.85 3.95 0.00 1.82 1.73 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.67 3.97 0.00 2.10 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 2.50 0.00 112 L 7.77 4.21 0.00 1.63 1.72 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.91 4.24 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 0.00 114 G 7.62 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.68 3.95 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 0.79 0.00 0.00 0.99 0.00 0.00 116 T 8.78 4.53 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 1.21 0.00 0.00 117 D 7.52 5.18 0.00 2.54 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 0.00 118 I 8.04 4.25 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 1.22 0.98 0.91 0.00 0.00 119 L 8.60 4.70 0.00 1.72 1.56 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.01 5.68 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 1.23 0.00 0.00 121 K 8.50 4.65 0.00 1.84 1.62 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.50 7.81 122 E 8.74 4.88 0.00 1.96 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 2.34 2.33 0.00 123 L 9.27 4.65 0.00 1.49 1.50 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.82 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 0.00 125 S 8.22 3.99 0.00 3.85 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 0.00 126 R 8.41 4.44 0.00 1.83 1.91 0.00 3.27 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 127 N 7.96 4.23 0.00 2.78 2.73 0.00 0.00 7.20 6.98 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 0.00 128 P 0.00 4.14 0.00 2.12 2.07 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 129 I 7.31 3.44 1.85 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.36 0.42 0.00 0.00 130 N 8.15 4.61 0.00 2.95 3.13 0.00 0.00 6.97 7.32 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 0.00 131 I 8.37 3.61 1.95 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 1.65 0.95 0.90 0.00 0.00 132 A 8.57 3.84 1.09 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 0.00 0.00 133 Y 7.49 4.13 0.00 2.56 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 0.00 0.00 0.00 134 A 8.55 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 3.80 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 1.19 0.00 0.00 136 M 8.45 3.91 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.93 0.00 137 E 8.32 3.81 0.00 1.98 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 0.00 2.22 2.50 0.00 138 A 8.12 3.84 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 0.00 139 L 8.15 3.94 0.00 1.80 1.76 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.68 4.06 0.00 1.79 2.08 0.00 3.29 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 141 Q 8.38 4.61 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 142 L 8.26 4.34 0.00 1.60 1.50 0.87 0.64 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 0.00 143 R 8.26 4.79 0.00 1.79 1.92 0.00 3.32 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 144 T 9.82 4.69 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 0.00 145 K 8.72 3.90 0.00 1.85 1.89 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.56 7.81 146 A 8.27 4.13 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 0.00 147 D 7.85 4.49 0.00 2.87 2.81 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 0.00 148 V 7.58 3.89 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 1.05 0.00 0.00 1.02 0.00 0.00 149 E 7.98 4.13 0.00 2.23 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 0.00 2.70 2.25 0.00 150 R 7.82 4.34 0.00 1.79 1.97 0.00 3.21 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 151 L 8.39 4.48 0.00 1.74 1.67 0.92 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 0.00 152 R 7.41 4.54 0.00 1.83 1.85 0.00 3.10 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 153 K 9.32 4.40 0.00 1.68 1.77 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.35 7.81 154 G 7.89 4.97 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 0.00 0.00 0.00 *155 E 7.63 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.