NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3216 8.3144 122.1425 54.2616 32.4523 173.0844 7 V 4.3162 7.8741 124.1687 59.4071 34.7757 171.6953 8 L 5.1739 9.5194 131.3284 53.3761 44.4589 174.5547 9 L 4.8837 9.0061 127.0051 53.0441 44.1226 175.3825 10 K 4.9469 9.3215 126.1383 55.4340 33.6214 175.2044 11 V 5.0325 9.2357 128.7008 61.0511 34.2099 174.3736 12 I 5.0083 8.5511 120.2187 59.1492 41.2417 174.4920 13 I 4.9605 8.1523 123.1965 59.9180 39.5783 175.2100 14 L 4.3748 10.5516 127.6631 52.5835 44.6507 175.9578 15 G 4.0778 6.8572 106.9464 42.9830 0.0000 172.7130 16 D 4.6906 7.9999 120.1583 53.6183 41.8092 176.5236 17 S 4.2782 8.3344 117.1617 60.1927 63.2514 175.8036 18 G 4.0699 8.8833 112.0976 45.6416 0.0000 174.5757 19 V 3.7651 7.1140 111.7604 62.2435 32.0930 177.1592 20 G 4.2761 8.5702 108.8360 45.5816 0.0000 175.5250 21 K 3.8789 8.5751 120.6270 59.8975 32.0079 179.1140 22 T 4.0334 7.8746 115.0892 66.8644 68.4469 176.8687 23 S 4.2487 8.0732 116.5814 61.3458 62.9513 176.5459 24 L 4.1112 8.5172 122.4651 57.8148 41.3054 179.1523 25 M 3.9869 8.0614 117.8134 58.8907 32.2408 177.9138 26 N 4.2350 8.1523 116.6067 56.3128 38.7224 177.2303 27 Q 3.9325 8.2099 120.7607 59.3654 29.0334 177.3850 28 Y 4.0574 7.6390 118.9411 60.8326 38.8252 178.0808 29 V 3.1949 7.4699 117.7949 65.8239 31.9167 176.7793 30 N 4.4302 8.1068 113.6315 52.9480 38.9233 175.5517 31 K 4.6148 7.9051 115.9102 56.1837 30.2422 175.0463 32 K 4.5485 7.9810 117.3445 54.5250 35.0636 175.3643 33 F 4.6096 8.5802 127.3688 55.9298 39.8283 174.5854 34 S 4.2849 7.8658 121.9326 58.2539 64.2514 174.7792 35 N 4.7301 7.9295 115.3738 52.8784 41.3894 172.9163 36 Q 3.9259 8.0598 122.2120 57.1511 28.2987 176.8897 *37 Y 4.4319 8.6005 112.0553 57.2236 40.8130 177.5851 *41 I 4.0001 7.8580 116.2979 60.3243 36.6602 178.4191 42 G 4.0373 8.0760 105.9075 45.9072 0.0000 173.0348 43 A 4.0876 8.1587 123.8111 51.6100 18.8216 175.7598 44 D 4.9743 8.3595 122.3597 54.2502 43.6996 175.4176 45 F 5.2533 7.7099 111.0416 55.4251 41.8689 174.5608 46 L 4.7986 8.7367 119.6161 53.0953 45.3182 175.6117 47 T 5.2022 8.3871 112.2376 60.0247 71.5059 173.4638 48 K 4.5265 9.0056 124.5695 55.0122 36.1559 174.6729 49 E 4.7389 8.8088 127.4893 56.0954 30.3741 176.4814 50 V 4.5395 9.2434 124.1612 60.1414 35.1212 174.3664 51 M 4.8146 8.7328 123.6058 54.4464 33.3807 176.0308 52 V 4.0930 8.8299 124.1652 61.5297 32.8564 174.9570 53 D 4.5945 9.5807 130.2372 55.5007 38.1036 174.4106 54 D 4.9074 8.2300 117.3698 54.3307 40.2363 175.6111 55 R 4.2417 7.6007 118.8131 55.3512 30.9406 174.2653 56 L 4.9474 8.2751 126.2028 53.8534 43.4997 175.7797 57 V 4.7548 8.6915 118.0918 60.2212 36.9217 173.9740 58 T 4.8971 8.9446 120.1725 62.3014 70.6146 173.2920 59 M 4.6581 9.4166 127.8163 54.4130 34.2125 174.4615 60 Q 4.9241 9.3827 128.4002 54.6287 31.1234 173.6922 61 I 4.9249 8.8468 128.8799 59.9878 38.6416 174.9357 62 W 5.1183 9.4775 127.9890 55.1195 30.8931 175.4313 63 D 5.2003 9.3195 125.6621 53.7992 41.6945 176.6278 64 T 3.5374 8.7875 112.1442 61.9872 69.2942 174.7299 65 A 3.5150 9.9399 124.7849 53.2114 16.7710 178.6500 66 G 4.0322 8.2450 107.5128 47.4279 0.0000 176.5123 67 Q 4.0337 7.8226 119.1165 58.5378 29.0068 178.3206 68 E 4.2908 8.0584 114.9316 57.7213 30.4115 178.4387 69 R 3.9553 7.8342 120.0321 58.2415 29.9160 177.6375 70 F 4.8042 7.7582 114.2181 58.0925 40.3547 175.1194 71 Q 3.6352 8.2805 115.3155 57.8888 26.6703 174.7097 72 S 4.8733 8.5216 108.0420 57.9150 64.3214 175.5484 73 L 4.2318 8.2222 120.3114 54.0040 42.3662 178.0630 74 G 4.0983 8.5400 113.2430 44.4393 0.0000 174.4978 75 V 3.6981 8.4526 118.2099 64.8051 31.0255 177.9767 76 A 3.9603 8.2057 121.0029 55.0740 17.8606 179.1515 77 F 3.9053 7.7506 117.8204 61.3422 39.6621 176.3444 78 Y 4.2116 8.3103 115.8619 58.3560 37.9417 175.9275 79 R 3.8125 6.7714 118.0912 57.9583 30.4422 176.4246 80 G 3.8046 8.9005 109.7350 45.9852 0.0000 173.1354 81 A 4.2640 7.6853 122.2695 52.3714 18.8187 178.1959 82 D 4.9224 9.4856 122.3951 55.4738 43.1078 176.1007 83 C 4.5402 7.9468 117.6836 58.0654 35.5006 171.9220 84 C 5.0288 8.5126 125.8951 57.5972 33.6979 172.4969 85 V 4.5375 8.6698 127.3478 61.8404 32.7080 174.3731 86 L 5.0885 9.2520 129.1071 53.3782 43.3715 175.7642 87 V 5.0589 8.4793 124.1891 61.0237 34.3120 174.3350 88 F 5.1354 8.7424 121.0628 55.3069 42.4494 172.7348 89 D 5.1129 9.5644 119.1468 52.5137 42.2014 177.4035 90 V 4.1055 8.5806 120.8408 63.7442 31.7307 177.6581 91 T 4.2969 9.2288 109.7047 61.2929 69.4392 174.7460 92 A 4.5654 8.5554 125.9496 49.0495 20.0755 174.4953 93 P 4.2625 0.0000 0.0000 66.8374 31.1763 178.3369 94 N 4.4689 8.2051 114.8503 56.2818 38.2751 177.3330 95 T 4.4671 7.8035 111.9698 64.0104 69.2333 176.0024 96 F 3.9456 8.0236 123.1448 60.5239 39.3077 177.2427 97 K 3.9146 7.9372 117.2441 58.5415 32.1689 178.4688 98 T 4.1400 7.5133 109.1382 62.3459 69.1014 176.3586 99 L 3.8846 7.1629 122.7219 58.2932 41.5348 179.0281 100 D 4.5659 7.7371 117.7263 57.6088 40.7972 178.6528 101 S 4.0217 8.0216 115.0308 61.6241 62.7892 176.8758 102 W 4.2671 8.1172 121.3325 59.7707 28.9314 178.5865 103 R 3.9821 8.4250 118.7999 59.5209 29.4926 178.3734 104 D 4.3913 8.7402 119.1068 57.3767 40.8676 178.3255 105 E 3.8873 8.5452 120.1409 59.0251 29.5080 178.6305 106 F 3.9289 8.6671 120.7227 61.3580 39.6223 176.8990 107 L 3.8815 8.1260 118.1288 57.9654 41.2229 179.7689 108 I 3.5596 7.4448 118.2110 64.4545 37.1778 178.3060 109 Q 3.8011 7.8220 117.3459 58.8445 28.5578 178.3593 110 A 3.8657 7.8408 120.5077 52.0175 19.9433 177.7891 111 S 3.5052 7.2673 108.2149 58.9984 61.8593 169.6823 112 P 4.5076 0.0000 0.0000 62.2602 32.7299 176.9985 113 R 3.9639 8.3612 115.8114 57.1253 30.6292 176.0646 114 D 4.3756 8.7338 120.1310 54.1455 39.4366 172.4492 115 P 4.3489 0.0000 0.0000 66.3792 31.5520 178.6816 116 E 4.1042 8.3058 116.6285 58.3551 29.4839 177.0803 117 N 4.9072 8.2322 114.0926 52.3656 39.4110 174.5852 118 F 3.8635 7.9274 121.2947 58.1129 40.0433 173.4676 119 P 4.2615 0.0000 0.0000 62.5838 31.0572 174.5648 120 F 5.2315 8.5089 122.8803 55.5843 41.4759 175.5527 121 V 4.5384 8.6079 121.9731 61.1920 34.7670 174.0802 122 V 5.0484 8.9405 127.9990 61.4759 33.7951 174.2384 123 L 4.9252 9.6252 128.2918 52.9692 44.7840 176.0007 124 G 3.2275 8.6355 112.9938 44.7557 0.0000 172.6485 125 N 4.9194 8.3624 126.5999 52.1543 41.5318 174.4971 126 K 4.1825 8.7531 116.3428 57.3496 29.0027 178.0991 127 I 3.9669 7.5177 112.5324 62.6363 37.4013 176.7144 128 D 4.4292 7.9186 121.1738 55.7040 39.7293 176.4073 129 L 4.2699 7.5124 119.9271 54.4563 42.1935 176.9304 130 E 4.1727 8.6205 121.3184 58.5585 30.5323 177.2449 131 N 4.7182 7.8319 117.8501 51.8780 37.5648 175.2932 132 R 4.2776 7.5500 117.1154 56.9323 31.2235 177.4030 133 Q 4.4202 9.0598 117.0891 54.8388 31.0549 175.4949 134 V 4.0012 7.6550 117.1940 60.3338 32.8899 175.5476 135 A 4.2028 8.1430 129.1706 52.2536 20.3759 177.9749 136 T 3.9835 8.4179 118.6894 66.6607 68.5862 177.5228 137 K 4.0049 7.9583 120.1142 59.2481 32.1199 179.2020 138 R 3.8505 7.8652 118.3641 59.2655 29.9809 178.3165 139 A 4.2674 7.5549 120.5478 55.3474 18.3062 179.5705 140 Q 3.7437 7.8442 116.2965 58.9577 28.7994 178.8932 141 A 4.0277 8.3776 122.1354 55.0476 18.3141 179.4789 142 W 4.0139 8.4882 126.7703 60.8925 30.7527 177.9828 143 C 3.9199 8.6529 116.9813 62.7996 27.4830 175.5248 144 Y 3.8779 8.3784 121.8013 60.6158 38.2194 178.1409 145 S 3.9828 7.8900 113.9719 60.3871 64.0243 175.5988 146 K 3.9926 6.8872 123.6936 55.0891 29.5341 175.8568 147 N 3.8663 7.9898 108.1101 54.5021 36.7168 174.3949 148 N 3.9222 7.5922 110.8387 54.6526 37.6010 174.3023 149 I 4.1296 7.9157 119.3821 60.5282 38.5089 176.2241 150 P 4.4648 0.0000 0.0000 63.1016 32.4077 174.4452 151 Y 5.5418 8.4019 123.6688 56.2097 41.4580 174.5461 152 F 4.4982 7.8915 121.9762 55.9055 44.1520 173.1797 153 E 4.8012 8.6478 122.2968 55.0049 31.0087 175.2803 154 T 4.8282 8.4757 114.4310 59.9477 73.0088 173.4935 155 S 4.2774 8.8757 116.1203 56.8998 63.8796 174.2581 156 A 3.9785 8.6650 130.7355 54.9047 18.5855 179.6759 157 K 2.0000 7.6212 115.7489 58.2645 32.1823 177.2064 158 E 4.2866 7.6708 114.5347 54.9200 29.7317 175.5167 159 A 3.7280 7.0384 119.7536 53.3647 16.8670 177.9849 160 I 4.2248 7.7722 121.1732 61.4934 39.2406 176.5755 161 N 4.5624 8.9027 121.3229 54.3666 37.7870 175.8174 162 V 3.6046 7.6230 116.6248 66.2586 31.5735 177.5540 163 E 4.1625 8.2649 116.7994 59.5612 29.3243 179.1017 164 Q 4.0478 7.9717 116.7653 59.3081 28.8577 178.2949 165 A 2.5800 7.4046 122.5943 54.0525 18.3353 179.2335 166 F 3.6910 7.9491 114.9380 59.0718 38.8275 178.0341 167 Q 3.9618 7.6184 119.0023 59.2007 28.5895 178.4660 168 T 4.0561 7.6155 109.8634 64.3481 69.0692 176.6643 169 I 3.5797 7.2870 122.5228 64.0727 36.9111 178.1349 170 A 4.0334 8.0020 121.7825 55.0676 18.2375 179.7035 171 R 3.8218 8.0474 117.2841 59.5293 30.2427 178.4866 172 N 4.3424 8.6067 116.6428 55.8356 38.5542 177.3535 173 A 4.3232 7.9213 123.7229 54.3586 18.4653 179.3975 174 L 3.8553 8.1026 119.0605 58.2658 42.3388 179.0329 175 K 3.9186 7.7770 119.2131 59.5230 31.9367 178.5289 176 Q 3.8562 7.8544 119.2921 59.1149 29.0369 177.6812 177 E 3.9265 8.2688 120.4054 59.7129 29.4546 178.9321 178 T 3.9053 8.2502 114.9822 66.6337 68.5381 176.2473 179 E 4.1531 7.9289 119.4508 59.6485 29.6288 178.6805 180 V 3.6145 7.9604 117.8946 65.6353 31.5950 175.3857 181 E 4.0943 8.5188 124.5746 56.6405 29.4432 176.9212 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 6 K 8.31 4.32 0.00 1.79 1.72 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 7 V 7.87 4.32 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 0.96 0.00 0.00 0.94 0.00 0.00 8 L 9.52 5.17 0.00 1.70 1.56 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.01 4.88 0.00 1.66 1.60 0.98 0.52 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 10 K 9.32 4.95 0.00 1.88 1.89 0.00 1.22 0.00 0.00 1.46 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.40 7.81 11 V 9.24 5.03 2.26 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 0.99 0.00 0.00 1.02 0.00 0.00 12 I 8.55 5.01 1.69 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 1.33 0.76 0.50 0.00 0.00 13 I 8.15 4.96 1.98 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 1.00 0.00 0.00 14 L 10.55 4.37 0.00 1.67 1.34 1.17 1.34 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 15 G 6.86 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 16 D 8.00 4.69 0.00 2.84 2.69 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 17 S 8.33 4.28 0.00 3.83 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.88 4.07 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 0.00 0.00 0.00 19 V 7.11 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 0.77 0.00 0.00 0.95 0.00 0.00 20 G 8.57 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 0.00 0.00 0.00 0.00 21 K 8.58 3.88 0.00 1.80 1.91 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.51 7.81 22 T 7.87 4.03 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 23 S 8.07 4.25 0.00 4.14 4.21 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 24 L 8.52 4.11 0.00 2.00 1.92 0.94 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 25 M 8.06 3.99 0.00 2.30 2.15 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 2.63 2.57 0.00 26 N 8.15 4.24 0.00 2.82 2.83 0.00 0.00 6.75 7.87 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 27 Q 8.21 3.93 0.00 2.39 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 28 Y 7.64 4.06 0.00 2.30 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.47 3.19 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 0.71 0.00 0.00 0.76 0.00 0.00 30 N 8.11 4.43 0.00 2.83 2.78 0.00 0.00 7.19 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.91 4.61 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.38 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.39 7.81 32 K 7.98 4.55 0.00 1.63 1.59 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.38 7.81 33 F 8.58 4.61 0.00 3.07 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 34 S 7.87 4.28 0.00 4.15 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.73 0.00 2.61 2.70 0.00 0.00 7.14 7.81 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 36 Q 8.06 3.93 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.32 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 *37 Y 8.60 4.43 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 I 7.86 4.00 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 1.35 1.11 0.91 0.00 0.00 42 G 8.08 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 43 A 8.16 4.09 1.31 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 0.00 0.00 0.00 44 D 8.36 4.97 0.00 2.70 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 0.00 0.00 0.00 45 F 7.71 5.25 0.00 2.38 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 0.00 0.00 0.00 0.00 46 L 8.74 4.80 0.00 1.52 1.43 0.83 0.43 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 47 T 8.39 5.20 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 1.33 0.00 0.00 48 K 9.01 4.53 0.00 1.58 1.54 0.00 1.05 0.00 0.00 0.68 0.00 0.00 2.56 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.20 1.24 7.81 49 E 8.81 4.74 0.00 1.87 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 2.29 2.23 0.00 50 V 9.24 4.54 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 0.95 0.00 0.00 1.02 0.00 0.00 51 M 8.73 4.81 0.00 1.94 2.06 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 2.57 2.48 0.00 52 V 8.83 4.09 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 1.02 0.00 0.00 0.96 0.00 0.00 53 D 9.58 4.59 0.00 2.84 2.69 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 54 D 8.23 4.91 0.00 2.85 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 55 R 7.60 4.24 0.00 1.89 1.88 0.00 3.08 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 106 F 8.67 3.93 0.00 3.66 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 0.00 107 L 8.13 3.88 0.00 1.99 1.77 1.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.44 3.56 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 0.80 0.00 0.00 109 Q 7.82 3.80 0.00 0.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.14 1.74 0.00 110 A 7.84 3.87 0.38 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 0.00 111 S 7.27 3.51 0.00 3.99 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 0.00 112 P 0.00 4.51 0.00 2.27 1.82 0.00 3.61 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.36 0.00 113 R 8.36 3.96 0.00 1.97 2.00 0.00 3.22 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 114 D 8.73 4.38 0.00 2.92 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 0.00 115 P 0.00 4.35 0.00 2.32 2.37 0.00 3.79 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 116 E 8.31 4.10 0.00 2.02 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 0.00 2.34 2.29 0.00 117 N 8.23 4.91 0.00 2.84 2.82 0.00 0.00 6.90 8.19 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 0.00 118 F 7.93 3.86 0.00 2.98 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 0.00 119 P 0.00 4.26 0.00 1.55 1.71 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 120 F 8.51 5.23 0.00 2.97 2.99 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 0.00 121 V 8.61 4.54 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 0.91 0.00 0.00 0.92 0.00 0.00 122 V 8.94 5.05 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 1.51 0.00 0.00 1.35 0.00 0.00 123 L 9.63 4.93 0.00 1.50 1.43 0.78 0.60 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 0.00 124 G 8.64 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 0.00 0.00 0.00 125 N 8.36 4.92 0.00 2.76 2.72 0.00 0.00 7.03 5.61 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 K 8.75 4.18 0.00 2.02 1.90 0.00 2.36 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.36 7.81 127 I 7.52 3.97 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.50 0.95 0.00 0.00 128 D 7.92 4.43 0.00 2.78 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 0.00 129 L 7.51 4.27 0.00 1.87 1.64 0.91 0.95 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 0.00 130 E 8.62 4.17 0.00 1.96 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 2.29 2.27 0.00 131 N 7.83 4.72 0.00 2.72 2.80 0.00 0.00 6.93 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.55 4.28 0.00 1.81 1.89 0.00 3.17 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 133 Q 9.06 4.42 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 134 V 7.65 4.00 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 0.00 0.00 0.00 0.77 0.00 0.00 135 A 8.14 4.20 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 0.00 136 T 8.42 3.98 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 1.44 0.00 0.00 137 K 7.96 4.00 0.00 1.74 1.84 0.00 1.67 0.00 0.00 1.91 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.43 7.81 138 R 7.87 3.85 0.00 1.75 1.82 0.00 3.01 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 139 A 7.55 4.27 1.06 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 0.00 0.00 140 Q 7.84 3.74 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 141 A 8.38 4.03 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 0.00 142 W 8.49 4.01 0.00 3.59 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 C 8.65 3.92 0.00 3.25 3.30 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 0.00 144 Y 8.38 3.88 0.00 3.14 3.10 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 0.00 0.00 0.00 0.00 145 S 7.89 3.98 0.00 3.96 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 0.00 146 K 6.89 3.99 0.00 0.99 1.35 0.00 1.52 0.00 0.00 1.32 0.00 0.00 2.60 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.30 0.21 7.81 147 N 7.99 3.87 0.00 2.77 2.85 0.00 0.00 7.15 8.00 0.00 0.00 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 N 7.59 3.92 0.00 2.48 2.71 0.00 0.00 7.06 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.92 4.13 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 1.12 0.00 0.00 150 P 0.00 4.46 0.00 2.26 2.24 0.00 3.93 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 151 Y 8.40 5.54 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 7.89 4.50 0.00 2.90 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 0.00 153 E 8.65 4.80 0.00 1.78 1.84 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 2.08 2.22 0.00 154 T 8.48 4.83 4.21 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 1.15 0.00 0.00 155 S 8.88 4.28 0.00 3.80 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 0.00 156 A 8.67 3.98 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 0.00 157 K 7.62 2.00 0.00 0.79 1.35 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.03 0.64 7.81 158 E 7.67 4.29 0.00 1.87 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 2.10 2.28 0.00 159 A 7.04 3.73 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 0.00 160 I 7.77 4.22 1.83 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 1.16 0.76 0.90 0.00 0.00 161 N 8.90 4.56 0.00 2.97 2.93 0.00 0.00 7.33 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 0.00 162 V 7.62 3.60 2.13 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 1.13 0.00 0.00 0.96 0.00 0.00 163 E 8.26 4.16 0.00 2.02 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 0.00 2.44 2.38 0.00 164 Q 7.97 4.05 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.73 0.00 165 A 7.40 2.58 0.80 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 0.00 0.00 166 F 7.95 3.69 0.00 2.06 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 0.00 0.00 0.00 167 Q 7.62 3.96 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 168 T 7.62 4.06 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 169 I 7.29 3.58 1.62 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.49 0.68 0.00 0.00 170 A 8.00 4.03 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 0.00 171 R 8.05 3.82 0.00 1.91 2.05 0.00 3.10 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 172 N 8.61 4.34 0.00 2.71 2.69 0.00 0.00 6.85 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 A 7.92 4.32 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 0.00 174 L 8.10 3.86 0.00 1.82 1.90 0.93 0.68 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 0.00 175 K 7.78 3.92 0.00 1.92 1.90 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 176 Q 7.85 3.86 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 177 E 8.27 3.93 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 178 T 8.25 3.91 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 0.00 179 E 7.93 4.15 0.00 2.09 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 2.34 2.35 0.00 180 V 7.96 3.61 2.27 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 0.81 0.00 0.00 1.07 0.00 0.00 181 E 8.52 4.09 0.00 2.17 1.84 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 2.34 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.