NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2855 8.1927 115.4114 58.0271 64.3090 172.5246 3 V 3.8454 8.3063 124.0079 62.1328 31.1951 173.5237 4 Q 4.6683 9.0544 126.5082 55.4239 32.9341 175.2271 5 V 4.8022 7.9402 119.2065 60.8637 34.8043 174.2065 6 G 4.5065 8.9121 115.3004 44.1119 0.0000 172.4142 7 V 5.0017 9.2691 127.1568 61.3218 33.5926 174.5270 8 I 5.6181 8.3112 121.3383 58.0717 40.9154 176.0259 *10 G 4.0785 8.6936 107.7985 46.6131 0.0000 173.1778 11 S 4.7912 7.9832 112.6360 55.6509 66.2718 175.4669 12 K 4.0357 8.6799 120.9300 59.4802 31.4653 179.6004 13 S 4.3025 7.4722 113.9058 61.0700 63.1415 175.7416 14 D 4.5424 8.2995 122.2003 55.8604 40.3493 177.9400 15 W 4.5797 8.0527 129.4088 60.6610 30.7241 177.4715 16 S 4.0808 8.1906 112.6226 61.4632 62.4738 174.8990 17 T 4.1278 7.5788 117.9735 63.7457 68.2377 176.1294 *19 K 3.0313 7.9849 125.2158 55.9480 33.5808 177.7490 20 E 3.8741 7.5850 117.9546 58.9781 29.2507 178.8714 21 C 4.0660 7.7057 118.4269 62.6578 31.7166 175.1410 22 C 3.4150 7.7178 117.7244 62.7464 27.7170 175.5046 23 D 4.3603 8.2402 120.7406 57.6150 40.3143 179.2448 24 I 3.6711 7.3493 119.7408 64.3292 37.0368 178.4228 25 L 3.8919 7.5686 119.6062 57.8648 41.3774 179.3135 26 D 4.4974 8.3282 118.9501 57.5253 40.5772 178.4056 27 N 4.3823 7.9271 116.3599 56.3257 39.0746 175.9931 28 L 4.4450 8.0491 117.6719 53.9221 42.0629 176.7819 29 G 3.8763 7.8620 106.9680 46.6811 0.0000 173.4530 30 I 4.4297 7.9874 120.8097 58.9504 38.9191 176.4165 31 G 4.3527 8.9580 114.6212 46.1903 0.0000 171.8678 32 Y 6.1203 8.1987 120.7265 56.2994 41.3122 173.3852 33 E 4.9430 9.0048 117.1213 54.5964 33.3971 174.1451 34 C 6.0117 8.5999 115.1504 55.7550 32.8155 172.7454 35 E 4.6436 8.4250 121.0960 54.8733 33.0534 173.6972 36 V 4.0930 8.2693 126.6779 62.5486 32.1789 175.3883 37 V 4.2152 8.1845 127.1806 61.2938 34.6075 173.8613 38 S 4.7374 8.7168 123.9237 56.5705 63.0651 174.7304 39 A 3.9975 8.6720 131.3061 55.3144 18.4216 177.7919 40 H 4.6663 7.9624 111.1492 57.4519 29.5632 176.4932 41 R 4.3564 8.2652 117.5038 57.1203 31.1168 176.6307 42 T 4.7290 7.8556 107.6621 59.5804 68.4833 173.1282 43 P 4.2358 0.0000 0.0000 66.6086 32.4726 178.2975 44 D 4.3904 8.1466 118.5711 57.1527 41.0701 179.4396 45 K 4.0800 7.4908 118.7569 56.8241 31.9276 178.3921 *47 F 4.7829 8.2579 117.2081 57.3142 41.0542 177.2705 48 D 4.5520 8.4855 120.2523 57.4634 40.0168 178.0423 49 Y 3.8846 8.6482 120.1715 60.7465 38.6737 178.2072 50 A 4.1056 8.1715 120.9741 55.3286 18.3923 179.1979 51 E 3.9957 8.3055 116.4402 59.3350 29.9084 178.9116 52 T 4.4943 8.0544 108.8213 61.2098 69.3914 176.4376 53 A 3.7395 7.4132 125.0838 55.3282 18.3759 179.4897 54 K 4.0101 7.9156 117.5840 59.6805 31.9063 178.7014 55 E 3.9970 8.0729 116.3878 58.8531 29.8535 178.0735 56 R 4.1050 7.7643 116.9299 56.5976 30.2031 177.2073 57 G 3.9809 8.0792 107.0852 44.8788 0.0000 174.1665 58 L 4.3471 7.5626 119.5117 54.7232 42.1851 176.8158 59 K 4.5730 8.9723 120.4836 56.8758 34.6278 176.8771 60 V 4.7256 7.6548 118.4243 61.2287 35.5659 173.6656 61 I 5.0898 8.6948 127.3183 59.6210 40.2695 174.3975 62 I 4.9957 8.9327 127.7248 59.5172 39.5461 174.4140 63 A 5.1647 9.3282 129.4702 49.9972 21.7622 174.6982 64 G 4.7395 8.7551 110.0709 44.0334 0.0000 172.5245 65 A 4.7270 8.2727 123.4858 50.9534 22.8150 174.8475 66 G 4.3694 8.3010 105.6667 44.2036 0.0000 175.4544 67 G 3.9799 8.8583 108.7210 45.8624 0.0000 177.0066 68 A 4.2017 8.5220 123.3130 51.4417 16.1327 175.4004 69 A 4.4490 8.0505 122.3066 51.3916 18.3965 176.7812 70 H 4.8651 8.3269 118.4040 56.8407 30.6651 177.3280 71 L 3.8921 8.2069 120.9714 57.7631 42.1607 176.2147 72 P 4.4169 0.0000 0.0000 65.7446 31.6004 179.5382 73 G 3.9272 7.6324 104.0687 46.1971 0.0000 175.3724 *75 V 3.9310 7.9743 121.1475 62.4667 33.1117 177.3713 76 A 3.9989 8.1645 121.1930 55.0899 18.2701 178.6069 77 A 4.1010 7.8618 117.6365 54.1666 18.5052 178.2150 78 K 4.3337 7.6841 112.8505 56.1854 33.0787 175.7405 79 T 4.6674 7.4144 112.4833 60.4581 70.4143 173.4403 80 T 4.2938 8.3104 114.4915 62.0604 69.7007 175.2981 81 L 4.2113 7.6008 122.9788 53.7420 42.4713 174.9246 82 P 4.4573 0.0000 0.0000 63.1405 32.7042 174.9992 83 V 4.9902 8.5330 122.9962 61.0706 34.4369 173.7046 84 L 5.2764 9.3191 128.1122 53.0534 44.2632 175.4163 85 G 4.3969 9.5497 111.4060 44.4278 0.0000 172.3236 86 V 4.6691 8.6657 125.4108 60.3879 33.9280 172.8735 87 P 4.8853 0.0000 0.0000 62.2908 32.3063 175.9767 88 V 4.0834 8.4911 126.0685 61.8809 32.4446 175.7180 89 K 4.0319 8.6535 129.2321 56.4295 32.5769 176.3537 90 S 4.6290 8.5537 121.4436 57.2018 64.4762 175.4192 91 S 4.1823 8.5335 117.0145 61.6858 63.3730 175.9513 92 T 4.0703 8.0344 116.6664 66.0280 68.6631 175.6133 93 L 4.6050 7.7875 118.4673 53.7587 42.1500 176.2242 94 N 4.3524 8.9795 114.0191 54.4265 36.6220 175.5696 95 G 3.9522 8.2595 104.9834 45.9218 0.0000 176.0765 96 Q 3.9362 8.2226 121.7432 59.0482 28.8402 177.8935 97 D 4.3128 8.0336 119.5735 56.7100 39.1587 178.2956 98 S 4.3513 8.0606 117.9540 60.3344 62.7959 176.4807 99 L 4.0057 8.2636 123.0296 58.2873 41.7660 179.0545 100 L 4.0402 7.9033 118.9084 57.8541 41.3013 179.6329 101 S 4.2496 8.0153 114.1196 60.5407 62.7606 175.8788 102 I 4.2088 6.9663 120.3560 63.3460 37.9107 178.1230 103 V 3.8402 7.8307 120.1805 62.6807 31.5813 176.5287 104 Q 4.0904 7.2446 118.8245 54.3431 28.5850 173.5906 *106 P 4.1342 0.0000 0.0000 61.5409 32.6923 175.5803 107 A 4.1335 8.4197 122.3497 52.8207 18.7167 176.0883 108 G 3.5079 8.2224 115.3421 45.2886 0.0000 173.9467 109 I 4.4064 7.0105 123.0674 58.4456 39.0949 173.1020 110 P 4.6208 0.0000 0.0000 61.6783 32.5717 175.6291 111 V 4.4164 7.9955 119.4208 60.9236 34.2536 174.5658 112 A 4.0342 8.6419 130.1325 52.1213 18.8247 176.0425 113 T 4.8456 8.0282 119.1044 62.1372 71.5056 173.9195 114 F 4.6523 8.1638 122.6655 54.8275 42.7237 174.9627 115 A 4.1492 8.6243 121.7540 52.1992 18.6941 177.1400 116 I 4.0315 8.0799 121.1901 62.7069 37.2831 174.8930 117 G 3.6699 8.8012 118.7888 46.0037 0.0000 175.1066 *119 A 4.2161 7.9047 119.1987 51.3201 21.2431 179.5249 120 G 4.1765 8.2710 103.1343 47.3335 0.0000 175.6324 121 A 3.9440 7.9705 123.1019 54.8035 18.3755 179.9173 122 K 3.8195 7.8371 116.4372 59.8051 32.1814 179.3035 123 N 4.2748 8.1808 116.4148 55.9366 38.2846 177.3696 124 A 2.7405 7.9265 122.5619 54.5671 18.3685 179.4882 125 A 3.7720 7.4462 119.3188 55.3530 18.4816 179.9300 126 L 3.7242 7.6696 117.4689 57.6788 41.6088 179.6013 127 F 4.0452 8.3843 120.8987 60.9802 39.3357 176.9661 128 A 3.9696 8.3186 120.5914 55.2032 18.1892 179.2837 129 A 3.8976 7.9912 119.3861 55.4844 18.1964 180.0905 130 S 4.0227 7.6832 111.3327 61.3233 62.7719 176.5825 131 I 3.7338 7.4085 123.6486 64.1941 36.4097 178.1947 132 L 3.8105 8.0042 119.5855 57.0367 41.5391 179.2796 133 Q 4.0722 8.0076 117.8824 59.1689 28.2010 177.8682 134 H 4.2116 7.6283 119.7939 58.4029 29.7837 175.6432 135 T 4.4510 7.3194 106.7439 60.5651 69.2644 173.8637 136 D 4.4669 7.9784 121.2006 52.1627 43.6799 175.1901 137 I 3.6662 8.3713 128.0001 64.4168 38.1000 177.3031 138 N 4.3797 8.1655 117.1632 56.2067 38.2505 177.5925 139 I 3.7570 7.8730 120.7418 64.0421 37.2631 177.8924 140 A 3.9557 8.0147 121.6960 55.1105 18.1477 179.5359 141 K 3.8276 8.2155 117.7767 59.6750 32.2782 178.8293 142 A 4.0021 8.0664 120.9859 55.0701 18.2781 179.4254 143 L 3.8936 8.2186 118.7841 58.1068 42.1324 178.8295 144 A 4.0207 8.2379 121.0150 55.4013 18.2422 179.2907 145 E 3.8928 8.4930 117.8234 59.1438 29.7963 178.7699 146 F 4.1384 8.4422 120.8535 61.4835 39.4849 177.4143 147 R 4.0547 8.4567 117.5297 59.1790 29.7905 178.9193 148 A 4.0265 8.2992 120.7877 55.1180 18.3501 179.5427 149 E 3.8690 8.3807 117.5771 59.5782 29.0374 179.6054 150 Q 3.9497 7.7786 117.2036 59.2353 28.6980 178.6400 151 T 3.8925 7.9192 117.8253 66.4713 68.4886 176.5697 152 R 3.8730 8.1719 120.7583 59.4468 29.8622 178.0832 153 F 4.1676 8.1532 119.3705 61.3995 39.5725 177.0549 154 V 3.6925 7.6365 116.8857 65.9370 31.2438 178.0992 155 L 4.0439 7.9339 117.4958 57.3059 41.4838 178.3575 156 E 4.4379 8.2072 116.2648 55.9937 30.6954 176.1609 157 N 4.9694 7.6638 116.0142 51.6136 39.3640 173.3931 158 P 4.2314 0.0000 0.0000 64.6684 32.4361 176.2614 159 D 4.6334 7.7904 119.0572 52.0965 41.2963 174.1538 160 P 4.4087 0.0000 0.0000 64.4176 32.0399 176.5194 161 R 4.0820 8.1439 123.2790 56.5683 29.8962 176.1435 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 S 8.19 4.29 0.00 4.01 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 3 V 8.31 3.85 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 0.82 0.00 0.00 0.89 0.00 0.00 4 Q 9.05 4.67 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 5 V 7.94 4.80 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 1.09 0.00 0.00 0.96 0.00 0.00 6 G 8.91 4.51 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 0.00 0.00 0.00 7 V 9.27 5.00 2.22 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 1.03 0.00 0.00 0.92 0.00 0.00 8 I 8.31 5.62 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.54 0.33 0.00 0.00 *10 G 8.69 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 11 S 7.98 4.79 0.00 3.98 3.93 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 12 K 8.68 4.04 0.00 1.83 1.92 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 13 S 7.47 4.30 0.00 4.11 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 14 D 8.30 4.54 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.05 4.58 0.00 3.35 3.23 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 16 S 8.19 4.08 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.58 4.13 4.36 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 1.17 0.00 0.00 *19 K 7.98 3.03 0.00 0.79 1.08 0.00 1.41 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.86 7.81 20 E 7.59 3.87 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 21 C 7.71 4.07 0.00 2.95 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 22 C 7.72 3.41 0.00 3.06 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 23 D 8.24 4.36 0.00 2.72 2.70 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 24 I 7.35 3.67 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 0.59 0.00 0.00 25 L 7.57 3.89 0.00 1.43 1.68 0.59 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.33 4.50 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.93 4.38 0.00 2.98 2.99 0.00 0.00 7.28 7.94 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 28 L 8.05 4.45 0.00 1.60 1.65 0.69 1.13 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 29 G 7.86 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 30 I 7.99 4.43 1.91 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 1.17 0.81 0.96 0.00 0.00 31 G 8.96 4.35 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 0.00 32 Y 8.20 6.12 0.00 3.13 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 33 E 9.00 4.94 0.00 2.07 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 2.36 2.45 0.00 34 C 8.60 6.01 0.00 3.12 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 35 E 8.43 4.64 0.00 2.05 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 2.29 0.00 36 V 8.27 4.09 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 0.77 0.00 0.00 0.87 0.00 0.00 37 V 8.18 4.22 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 0.85 0.00 0.00 0.63 0.00 0.00 38 S 8.72 4.74 0.00 4.02 3.77 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 39 A 8.67 4.00 1.18 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 0.00 0.00 40 H 7.96 4.67 0.00 3.16 3.36 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.27 4.36 0.00 1.77 1.98 0.00 3.11 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 42 T 7.86 4.73 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 1.21 0.00 0.00 43 P 0.00 4.24 0.00 2.01 2.27 0.00 3.82 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 1.92 1.94 0.00 44 D 8.15 4.39 0.00 2.72 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 45 K 7.49 4.08 0.00 1.65 1.95 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 *47 F 8.26 4.78 0.00 3.23 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.49 4.55 0.00 2.96 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 49 Y 8.65 3.88 0.00 3.12 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 50 A 8.17 4.11 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.31 4.00 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 52 T 8.05 4.49 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 1.21 0.00 0.00 53 A 7.41 3.74 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 54 K 7.92 4.01 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 55 E 8.07 4.00 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 56 R 7.76 4.10 0.00 1.86 1.94 0.00 3.03 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 57 G 8.08 3.98 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 0.00 0.00 0.00 58 L 7.56 4.35 0.00 1.74 1.63 0.95 0.85 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 59 K 8.97 4.57 0.00 1.67 1.84 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 60 V 7.65 4.73 2.12 0.00 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0.00 0.00 0.00 78 K 7.68 4.33 0.00 1.49 1.52 0.00 1.29 0.00 0.00 0.77 0.00 0.00 2.31 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.70 0.21 7.81 79 T 7.41 4.67 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 1.33 0.00 0.00 80 T 8.31 4.29 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 1.20 0.00 0.00 81 L 7.60 4.21 0.00 1.70 1.67 0.96 1.10 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 82 P 0.00 4.46 0.00 2.22 2.27 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 83 V 8.53 4.99 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 1.11 0.00 0.00 1.02 0.00 0.00 84 L 9.32 5.28 0.00 1.64 1.78 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.55 4.40 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 0.00 86 V 8.67 4.67 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 0.99 0.00 0.00 0.99 0.00 0.00 87 P 0.00 4.89 0.00 2.12 2.08 0.00 3.89 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 88 V 8.49 4.08 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 0.74 0.00 0.00 0.99 0.00 0.00 89 K 8.65 4.03 0.00 1.75 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.43 7.81 90 S 8.55 4.63 0.00 4.04 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 91 S 8.53 4.18 0.00 4.00 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 92 T 8.03 4.07 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 93 L 7.79 4.61 0.00 1.67 1.62 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.98 4.35 0.00 2.85 2.88 0.00 0.00 6.98 8.36 0.00 0.00 0.00 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1.05 0.91 0.00 0.00 138 N 8.17 4.38 0.00 2.88 2.85 0.00 0.00 7.06 8.28 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 0.00 139 I 7.87 3.76 1.97 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 1.57 0.79 0.88 0.00 0.00 140 A 8.01 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 0.00 141 K 8.22 3.83 0.00 1.99 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 142 A 8.07 4.00 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 0.00 143 L 8.22 3.89 0.00 1.72 1.86 0.81 0.80 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 0.00 144 A 8.24 4.02 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.49 3.89 0.00 2.19 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 0.00 2.33 2.51 0.00 146 F 8.44 4.14 0.00 3.20 3.14 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 0.00 147 R 8.46 4.05 0.00 1.99 2.03 0.00 3.25 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 148 A 8.30 4.03 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 0.00 149 E 8.38 3.87 0.00 1.93 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 2.26 2.45 0.00 150 Q 7.78 3.95 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 151 T 7.92 3.89 4.39 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 0.00 0.00 0.00 1.23 0.00 0.00 152 R 8.17 3.87 0.00 2.01 2.13 0.00 3.22 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 153 F 8.15 4.17 0.00 3.08 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 0.00 154 V 7.64 3.69 2.22 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 0.97 0.00 0.00 1.00 0.00 0.00 155 L 7.93 4.04 0.00 1.65 1.71 0.92 0.81 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 0.00 156 E 8.21 4.44 0.00 1.91 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 2.28 2.44 0.00 157 N 7.66 4.97 0.00 2.49 2.45 0.00 0.00 6.94 8.04 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 0.00 158 P 0.00 4.23 0.00 2.14 2.14 0.00 3.69 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 1.95 1.91 0.00 159 D 7.79 4.63 0.00 2.62 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 0.00 160 P 0.00 4.41 0.00 2.20 2.14 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 161 R 8.14 4.08 0.00 1.92 1.87 0.00 3.18 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.