NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5010 8.3531 120.3082 52.4312 40.7733 176.0705 4 G 3.4029 8.0304 107.8426 44.9832 0.0000 171.4850 5 D 4.5528 8.6029 126.1730 56.3816 40.2504 174.9383 6 Y 4.9152 6.9315 114.2261 55.4916 40.8127 174.4198 7 D 4.1880 8.8115 121.7166 56.7107 41.3494 176.8569 8 Y 5.0198 7.8321 114.7421 55.9237 41.5155 174.4587 9 L 4.3578 9.0164 124.9470 54.7915 41.7358 176.1022 10 I 4.4685 8.1965 123.2970 59.1536 40.4262 174.2569 11 K 4.4837 8.6201 126.5975 54.9227 33.5929 174.8123 12 L 5.3251 8.5245 126.9766 53.0230 44.6675 175.7852 13 L 4.6812 8.9496 120.8775 52.8516 45.2625 175.5024 14 A 5.0082 8.5634 124.5374 50.6211 20.1632 176.1304 15 L 4.6269 8.9764 121.5551 53.5318 45.8609 175.7132 16 G 4.3760 8.7247 105.1105 43.5910 0.0000 173.4141 17 D 4.4725 8.4483 120.4106 54.1207 41.4372 176.9184 18 S 4.1808 8.2823 117.3079 60.2745 63.2372 175.2825 19 G 3.9641 8.8540 111.9902 45.4257 0.0000 174.5296 20 V 3.6695 7.1112 118.9661 65.3109 31.9125 175.7070 21 G 3.6392 8.5851 107.1919 45.1487 0.0000 175.1886 22 K 3.8444 8.4274 122.1413 59.9128 31.9637 179.0638 23 T 4.0810 7.8103 115.0660 66.6759 68.6538 177.1904 24 T 3.9170 7.8603 117.2565 66.4761 68.5902 176.0791 25 F 4.0371 8.3385 122.6486 61.6768 39.3184 177.3348 26 L 4.2414 8.0774 118.2795 57.7061 41.1729 178.9261 27 Y 3.9906 7.8668 119.0894 60.5173 38.8623 177.1502 28 R 3.9960 8.4318 118.8779 59.8747 30.2294 177.5946 29 Y 4.0989 7.7112 117.7125 59.1796 38.8370 175.7059 30 T 4.1538 7.3421 117.5403 62.2915 69.0437 174.5514 31 D 4.2528 8.3502 126.6694 55.4184 40.0480 176.4586 32 N 4.7033 7.8159 116.8529 52.4561 39.6141 174.3574 33 K 4.2820 8.2500 116.5612 57.1241 33.9825 175.7819 34 F 4.1996 8.2922 121.1211 58.8217 38.7105 173.8712 35 N 4.5148 7.9030 126.7263 50.4479 39.1513 171.3560 36 P 4.1863 0.0000 0.0000 61.7345 32.4230 176.6112 37 K 4.5409 8.0084 119.4591 54.6592 34.7523 176.2806 38 F 4.6203 8.6964 121.4285 55.6074 39.5540 174.7753 39 I 4.3134 7.7681 118.8906 59.8902 39.5108 174.3874 40 T 4.3791 7.6456 113.6611 62.0216 69.7924 171.6075 41 T 4.6504 8.3085 116.1187 60.2985 70.1577 172.9372 42 V 4.7437 8.1594 120.6820 59.9624 35.3068 174.8333 43 G 4.3909 8.8484 108.6717 45.3931 0.0000 172.0296 44 I 5.5619 8.2959 113.7054 59.1998 40.8895 174.0363 45 D 4.8493 9.1849 122.2264 52.4977 43.2297 174.3981 46 F 4.9746 7.6748 112.4224 54.0677 40.5283 173.4272 *61 A 4.2962 8.5835 120.9475 52.5560 20.1888 176.3150 62 S 4.5312 7.5773 107.7083 57.6042 67.1289 176.4148 63 G 4.0310 9.3417 115.3238 46.1803 0.0000 174.3972 64 K 4.3815 8.5751 118.9313 58.1261 33.1909 180.3883 65 A 3.1943 7.7075 116.6855 52.0873 20.8476 176.8317 66 F 4.2480 7.9710 120.2448 57.3314 37.8630 173.9179 67 K 4.2065 8.3907 126.6084 58.0571 38.6607 176.5087 *69 H 4.5395 7.9719 115.0222 54.7813 29.7951 172.9717 70 L 4.6152 7.6607 118.4059 54.6438 42.4571 176.0221 71 Q 4.7766 8.5631 118.7592 54.1530 31.2723 174.9583 72 L 5.0602 8.3577 121.4768 52.7797 44.8930 175.3086 73 W 5.3200 8.9831 121.8637 55.0739 32.2802 174.4483 74 D 4.9715 9.5853 122.3384 52.9043 44.7658 174.3295 75 T 5.0891 8.5768 114.3202 59.6032 69.4784 171.6338 76 A 4.0117 9.1557 131.8090 52.9662 19.6214 177.7858 77 G 3.9813 9.0178 112.1450 46.9810 0.0000 174.1775 78 L 4.4741 7.9084 119.2398 55.9564 41.1068 177.1868 79 E 4.0433 8.0210 121.0859 59.8065 29.4102 178.6055 80 R 4.1580 8.0098 118.3814 58.0000 30.1732 178.0285 81 F 4.4790 7.8456 118.8896 59.6630 39.3933 177.4289 82 R 3.8014 7.8755 118.8305 59.6050 29.9306 178.1475 83 S 4.2493 8.0762 114.8857 60.8398 62.7348 176.0306 84 L 4.0801 7.5803 122.3778 57.9161 41.7493 178.9762 85 T 3.9192 7.1961 115.5791 66.6116 68.2090 176.8372 86 T 3.9354 8.2152 111.8076 64.8426 68.5845 176.5173 87 A 3.9832 7.8130 122.3543 54.1865 18.3518 179.1325 88 F 4.2589 7.7674 118.5331 61.2203 39.7767 177.1381 89 F 4.2324 8.3249 114.6987 57.3611 39.6761 176.2879 90 R 4.1279 7.6407 116.8158 56.9182 30.0450 176.9905 91 D 4.3333 8.9487 117.2560 54.5939 39.3648 173.9045 92 A 4.0613 7.5907 121.7926 53.4033 18.9019 177.2581 93 M 4.6130 8.8983 120.0687 55.4170 35.2790 175.9744 94 G 4.3121 7.8700 104.1881 44.6902 0.0000 171.9282 95 F 5.5570 9.3980 122.2956 55.3905 41.9537 175.1358 96 L 4.2280 9.2924 125.8180 54.5203 41.8617 175.8050 97 L 4.6003 9.0404 128.1449 53.7903 43.2538 174.9146 98 M 5.3917 8.7527 124.5404 53.4398 34.6298 174.7748 99 F 5.1721 8.6713 115.6974 55.1867 42.2079 172.6008 100 D 5.1654 8.8881 117.6172 52.5350 43.0891 177.3347 101 L 4.4187 8.6091 124.8669 57.1263 41.9308 178.8406 102 T 4.4733 8.4209 114.3291 63.9008 68.5236 175.0601 103 S 4.7112 8.0246 115.6243 55.7909 64.4283 173.5920 104 Q 4.1075 9.0394 131.7027 59.3381 28.7227 178.1896 105 Q 3.9862 8.0877 120.2834 59.2338 29.0555 178.0742 106 S 4.6278 7.7767 114.8950 61.0399 63.1229 175.9697 107 F 3.9511 8.0625 123.1875 60.8655 38.9136 176.9269 108 L 3.6265 8.4119 119.0816 57.8675 41.3240 179.5928 109 N 4.4541 8.3543 116.8756 56.1863 38.5942 177.8445 110 V 3.6989 7.7222 113.8367 63.9688 31.5891 178.2908 111 R 3.6764 7.5567 118.1719 59.7661 29.7481 178.1600 112 N 4.4560 7.7447 115.9118 55.3428 38.2691 177.3344 113 W 4.0868 7.6908 129.4977 60.6647 31.0931 177.7165 114 M 4.0666 8.2821 119.0605 58.0601 31.4556 178.8411 115 S 4.5309 8.0490 115.9918 60.8957 62.9509 175.7089 116 Q 4.3139 7.4172 118.5716 54.8832 28.9067 175.8921 117 L 3.9059 7.0236 121.5755 54.2895 42.3059 176.3134 118 Q 4.3094 8.3597 122.1672 54.2915 29.7888 174.9724 119 A 4.4523 8.4370 126.5944 51.3309 20.3271 176.2358 120 N 4.8111 8.4420 127.8229 53.5578 38.3334 174.9376 121 A 4.5440 8.3102 127.1173 51.8947 20.5587 177.0527 122 Y 4.1743 8.8261 122.3791 61.2478 38.8775 179.6747 123 C 4.0553 8.4066 115.1325 59.8289 40.3582 174.5990 124 E 3.8600 7.9934 117.8648 56.6868 29.5905 175.1666 125 N 4.7074 7.3453 117.2973 51.3389 39.9943 172.6001 126 P 4.3709 0.0000 0.0000 63.2191 32.2374 175.1230 127 D 4.8676 8.2752 119.9140 53.1507 43.0988 175.8216 128 I 5.1796 8.1744 120.8692 59.6884 40.9625 175.0668 129 V 4.5465 8.4976 119.2651 59.4020 34.5783 174.5599 130 L 4.8436 8.7157 127.8606 54.7589 43.4423 175.2681 131 I 4.7077 9.1752 128.2112 59.4948 40.0760 175.0577 132 G 3.3621 8.9524 115.9457 44.4423 0.0000 173.0892 133 N 4.8430 8.4020 125.0793 51.4618 40.6471 175.1524 134 K 4.0958 8.4864 115.6058 57.7663 29.6130 176.6480 135 A 4.2830 8.1087 119.6516 53.4102 18.7838 178.6355 136 D 4.6238 7.9958 114.2438 53.8074 40.6240 176.8140 137 L 4.7686 7.3902 121.0902 52.9123 41.6452 175.3922 138 P 4.2874 0.0000 0.0000 66.0116 31.7875 179.0262 139 D 4.4848 8.0736 116.7771 56.0736 41.0311 176.6834 140 Q 4.5074 7.9373 117.1782 55.1432 29.3307 175.4738 141 R 4.2842 7.5063 118.6563 56.9883 30.7335 175.1973 142 E 4.4593 9.4332 121.6680 57.9170 32.0338 177.0372 143 V 3.8446 7.6894 116.6292 62.0464 32.2182 175.5094 144 N 4.4808 7.9413 126.3063 53.1647 40.6950 175.4761 145 E 3.9031 8.6427 127.5157 59.5082 30.0448 179.1448 146 R 4.0993 7.8601 118.0098 58.7976 30.3009 178.1233 147 Q 3.8732 7.8524 119.1353 59.1385 29.2982 177.8563 148 A 4.0040 7.5048 121.7902 54.9322 18.3881 179.6078 149 R 3.5322 8.0829 117.9627 59.2178 30.1000 178.3100 150 E 4.1675 8.1097 116.5826 58.3595 28.4436 178.6102 151 L 4.0257 7.5682 121.0478 58.1576 42.1310 178.6883 152 A 4.3571 7.9163 120.5213 54.9469 18.3248 179.2749 153 E 3.9205 8.1532 117.9723 59.2478 29.6237 178.6137 154 K 4.1289 8.2634 117.4727 58.2237 32.3821 176.2797 155 Y 4.4826 7.4722 112.1357 57.0618 40.0386 175.1819 156 G 4.1986 8.2223 107.9926 46.7760 0.0000 173.9342 157 I 4.8863 7.9661 110.7096 57.7298 40.8933 174.7442 158 P 4.4476 0.0000 0.0000 63.4007 32.4061 174.1185 159 Y 5.3054 8.3253 122.6245 56.0121 41.4395 174.6681 160 F 4.4489 8.4846 124.0088 55.6129 43.2701 173.5160 161 E 4.7280 8.5683 123.7508 55.6583 30.1684 175.8051 162 T 5.0575 9.1282 115.1304 59.9417 72.9571 173.0645 163 S 4.8353 8.8814 116.4277 56.6911 65.1623 174.8325 164 A 3.9660 9.0742 130.1841 55.1793 18.7120 178.4945 165 A 4.1177 8.1780 118.0933 55.3494 18.5028 178.3717 166 T 4.2768 7.9362 102.6093 61.1613 69.5482 175.6892 167 G 3.9077 8.0057 111.7193 45.6137 0.0000 172.9460 168 Q 3.8719 7.4523 118.9987 57.3105 28.9897 176.4815 169 N 4.3051 9.1295 120.9079 54.1602 36.7835 176.6810 170 V 3.4573 7.9768 118.6700 66.1284 31.4593 177.8637 171 E 4.1270 8.0577 117.6479 59.4091 29.4757 178.7881 172 K 3.6946 8.0384 119.1288 60.0895 32.0711 177.8871 173 S 3.2041 7.5703 114.6917 61.6125 62.7125 176.9074 174 V 3.3576 7.3689 120.1402 66.2036 31.3518 177.8468 175 E 3.9872 8.2673 118.4228 59.9398 29.3114 179.7085 176 T 3.8870 7.9066 115.4211 66.6448 68.5916 176.4621 177 L 3.9684 7.7045 121.7160 57.8534 42.0362 178.4613 178 L 3.9078 8.2903 120.8529 58.3111 41.9247 178.4238 179 D 4.3314 8.2029 117.6901 57.5409 41.1497 178.1844 180 L 4.0513 7.9598 119.3131 58.0445 41.6606 179.6587 181 I 3.7773 7.8056 119.5991 64.3079 37.0318 178.3659 182 M 4.0045 8.3487 120.1763 58.0897 31.8156 178.9703 183 K 4.0207 8.4850 119.2222 59.2799 32.0124 179.3711 184 R 4.2044 7.6548 119.3142 59.1472 30.3004 178.0362 185 M 4.1264 7.8013 118.1686 58.8129 31.8203 178.8237 186 E 4.0557 7.7839 116.5941 59.0581 29.6676 179.1075 187 K 4.3539 8.1887 119.0866 57.8871 32.7520 176.4812 188 C 5.0183 7.8979 117.1249 54.2527 40.3484 172.7440 189 V 4.1803 7.5567 123.5201 59.8694 32.2076 176.1015 190 E 4.1165 8.7979 123.8102 56.9826 29.4147 174.8360 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 D 8.35 4.50 0.00 2.78 2.79 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 0.00 0.00 0.00 4 G 8.03 3.40 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 5 D 8.60 4.55 0.00 2.89 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 6 Y 6.93 4.92 0.00 3.04 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 7 D 8.81 4.19 0.00 2.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.83 5.02 0.00 3.00 2.84 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 9 L 9.02 4.36 0.00 1.76 1.92 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.20 4.47 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 1.27 0.72 0.90 0.00 0.00 11 K 8.62 4.48 0.00 1.81 1.66 0.00 1.63 0.00 0.00 1.95 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.39 7.81 12 L 8.52 5.33 0.00 1.54 1.54 0.87 0.96 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 13 L 8.95 4.68 0.00 1.34 1.11 -0.09 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.56 5.01 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 15 L 8.98 4.63 0.00 1.28 1.14 0.19 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.72 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 17 D 8.45 4.47 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.18 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.85 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 0.00 0.00 0.00 20 V 7.11 3.67 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 0.74 0.00 0.00 1.00 0.00 0.00 21 G 8.59 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 22 K 8.43 3.84 0.00 1.80 1.88 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 23 T 7.81 4.08 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 24 T 7.86 3.92 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 25 F 8.34 4.04 0.00 3.26 3.27 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 26 L 8.08 4.24 0.00 1.98 1.83 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.87 3.99 0.00 3.07 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.43 4.00 0.00 1.78 2.08 0.00 3.29 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 29 Y 7.71 4.10 0.00 2.61 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 30 T 7.34 4.15 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 1.19 0.00 0.00 31 D 8.35 4.25 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.70 0.00 2.78 2.87 0.00 0.00 6.80 7.61 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 33 K 8.25 4.28 0.00 1.89 1.93 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.47 7.81 34 F 8.29 4.20 0.00 2.94 3.09 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 35 N 7.90 4.51 0.00 2.60 2.57 0.00 0.00 7.26 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.19 0.00 1.95 1.78 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.41 0.00 37 K 8.01 4.54 0.00 1.61 1.67 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.25 1.31 7.81 38 F 8.70 4.62 0.00 2.92 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 39 I 7.77 4.31 1.89 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 1.30 0.61 0.92 0.00 0.00 40 T 7.65 4.38 4.32 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 1.35 0.00 0.00 41 T 8.31 4.65 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 42 V 8.16 4.74 1.93 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 0.69 0.00 0.00 0.73 0.00 0.00 43 G 8.85 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 0.00 0.00 0.00 0.00 44 I 8.30 5.56 2.19 0.00 0.00 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 1.51 0.99 0.99 0.00 0.00 45 D 9.18 4.85 0.00 2.55 2.68 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 0.00 0.00 0.00 46 F 7.67 4.97 0.00 1.91 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 *61 A 8.58 4.30 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 62 S 7.58 4.53 0.00 3.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.34 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.98 5.32 0.00 3.15 3.20 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 74 D 9.59 4.97 0.00 2.74 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.58 5.09 4.28 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 1.27 0.00 0.00 76 A 9.16 4.01 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 77 G 9.02 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 78 L 7.91 4.47 0.00 1.99 1.95 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.02 4.04 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 2.41 2.43 0.00 80 R 8.01 4.16 0.00 1.96 2.04 0.00 3.48 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 81 F 7.85 4.48 0.00 3.23 3.24 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 82 R 7.88 3.80 0.00 1.99 1.98 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 83 S 8.08 4.25 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.58 4.08 0.00 2.00 1.56 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.20 3.92 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 1.34 0.00 0.00 86 T 8.22 3.94 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 1.23 0.00 0.00 87 A 7.81 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 7.77 4.26 0.00 2.97 3.20 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 89 F 8.32 4.23 0.00 3.22 3.05 0.00 0.00 0.00 0.00 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S 7.78 4.63 0.00 4.20 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 0.00 107 F 8.06 3.95 0.00 2.57 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.41 3.63 0.00 2.00 1.68 0.96 0.82 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 0.00 109 N 8.35 4.45 0.00 3.05 2.84 0.00 0.00 6.86 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 0.00 110 V 7.72 3.70 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 0.95 0.00 0.00 0.85 0.00 0.00 111 R 7.56 3.68 0.00 1.22 1.77 0.00 3.12 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 1.61 1.60 0.00 112 N 7.74 4.46 0.00 2.83 2.86 0.00 0.00 6.26 7.55 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 0.00 113 W 7.69 4.09 0.00 3.32 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 8.28 4.07 0.00 1.28 1.91 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.65 0.00 115 S 8.05 4.53 0.00 4.10 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 0.00 116 Q 7.42 4.31 0.00 1.83 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 117 L 7.02 3.91 0.00 1.73 1.46 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.36 4.31 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 119 A 8.44 4.45 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 0.00 120 N 8.44 4.81 0.00 2.70 2.60 0.00 0.00 7.06 7.35 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 0.00 121 A 8.31 4.54 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 0.00 122 Y 8.83 4.17 0.00 3.03 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 0.00 123 C 8.41 4.06 0.00 3.02 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.99 3.86 0.00 1.95 1.93 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 2.28 2.26 0.00 125 N 7.35 4.71 0.00 2.75 2.59 0.00 0.00 7.16 7.61 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 0.00 126 P 0.00 4.37 0.00 1.16 1.62 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 127 D 8.28 4.87 0.00 2.54 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 0.00 128 I 8.17 5.18 1.95 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.57 1.06 0.00 0.00 129 V 8.50 4.55 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 0.84 0.00 0.00 0.99 0.00 0.00 130 L 8.72 4.84 0.00 1.98 2.02 1.20 1.60 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 0.00 131 I 9.18 4.71 1.63 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.78 0.58 0.00 0.00 132 G 8.95 3.36 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 0.00 133 N 8.40 4.84 0.00 2.77 2.73 0.00 0.00 6.87 6.47 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 0.00 134 K 8.49 4.10 0.00 2.06 1.84 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.41 7.81 135 A 8.11 4.28 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 0.00 136 D 8.00 4.62 0.00 2.81 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 0.00 137 L 7.39 4.77 0.00 1.76 1.64 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.29 0.00 2.22 2.33 0.00 3.80 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 2.01 0.00 139 D 8.07 4.48 0.00 2.70 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 0.00 140 Q 7.94 4.51 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 141 R 7.51 4.28 0.00 1.96 1.86 0.00 3.22 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 142 E 9.43 4.46 0.00 1.94 1.93 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 2.25 2.23 0.00 143 V 7.69 3.84 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 0.39 0.00 0.00 0.99 0.00 0.00 144 N 7.94 4.48 0.00 2.99 2.54 0.00 0.00 6.44 7.53 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 0.00 145 E 8.64 3.90 0.00 2.11 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 2.47 2.73 0.00 146 R 7.86 4.10 0.00 1.94 1.87 0.00 3.27 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 147 Q 7.85 3.87 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 148 A 7.50 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.08 3.53 0.00 1.87 1.85 0.00 3.10 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 150 E 8.11 4.17 0.00 2.28 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 2.39 2.33 0.00 151 L 7.57 4.03 0.00 2.17 2.02 0.75 1.02 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 0.00 152 A 7.92 4.36 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.15 3.92 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 154 K 8.26 4.13 0.00 1.91 2.06 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.10 1.36 7.81 155 Y 7.47 4.48 0.00 3.08 2.96 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 0.00 156 G 8.22 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 0.00 157 I 7.97 4.89 2.17 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 1.07 0.00 0.00 158 P 0.00 4.45 0.00 2.32 2.30 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 159 Y 8.33 5.31 0.00 2.97 2.84 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 0.00 160 F 8.48 4.45 0.00 2.85 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 0.00 161 E 8.57 4.73 0.00 1.82 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 162 T 9.13 5.06 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 163 S 8.88 4.84 0.00 3.96 3.70 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 0.00 164 A 9.07 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.18 4.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 T 7.94 4.28 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 0.00 167 G 8.01 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 0.00 168 Q 7.45 3.87 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.09 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 169 N 9.13 4.31 0.00 3.14 2.87 0.00 0.00 6.73 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 0.00 170 V 7.98 3.46 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 0.34 0.00 0.00 0.83 0.00 0.00 171 E 8.06 4.13 0.00 2.04 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 0.00 2.40 2.30 0.00 172 K 8.04 3.69 0.00 1.80 1.67 0.00 1.63 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.64 7.81 173 S 7.57 3.20 0.00 4.18 3.79 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 0.00 0.00 0.00 174 V 7.37 3.36 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 0.74 0.00 0.00 0.13 0.00 0.00 175 E 8.27 3.99 0.00 2.12 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 2.39 2.45 0.00 176 T 7.91 3.89 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 1.46 0.00 0.00 177 L 7.70 3.97 0.00 1.76 1.78 0.95 0.64 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 0.00 178 L 8.29 3.91 0.00 1.84 1.86 0.92 1.10 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 0.00 179 D 8.20 4.33 0.00 2.87 2.88 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 0.00 180 L 7.96 4.05 0.00 1.95 1.87 0.97 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 0.00 181 I 7.81 3.78 1.94 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 1.43 1.12 0.82 0.00 0.00 182 M 8.35 4.00 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 183 K 8.49 4.02 0.00 1.88 1.91 0.00 1.96 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.57 7.81 184 R 7.65 4.20 0.00 1.77 1.82 0.00 2.75 0.00 0.00 2.43 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.00 185 M 7.80 4.13 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 186 E 7.78 4.06 0.00 1.94 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 0.00 2.52 2.47 0.00 187 K 8.19 4.35 0.00 2.18 2.15 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.34 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.53 7.81 188 C 7.90 5.02 0.00 3.20 3.07 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 0.00 0.00 0.00 189 V 7.56 4.18 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 0.78 0.00 0.00 0.95 0.00 0.00 190 E 8.80 4.12 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.