NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5311 8.2185 120.5061 54.4629 43.4460 177.3647 4 A 3.7878 7.8150 120.6011 54.9392 18.3172 178.8231 5 F 4.5593 8.6548 117.1665 60.6612 39.2490 176.2155 6 S 4.2199 8.2260 113.7138 61.7897 62.7616 176.3847 7 R 4.0731 7.7951 119.0362 59.3163 29.9312 178.8969 8 V 3.7022 7.3506 115.7654 65.7771 32.7281 178.0360 9 V 3.6677 7.4462 111.0641 59.4998 29.1058 175.5317 *16 A 3.9301 6.9834 120.1878 51.8630 20.0931 176.0301 17 A 4.5513 8.1760 122.4234 50.9052 20.2608 176.8812 18 Y 4.4468 8.6505 120.8058 56.3582 38.7720 175.6777 19 V 4.1919 8.4731 125.6949 60.9067 31.3949 174.5972 20 G 4.2894 7.8237 115.0953 43.6919 0.0000 171.4952 21 G 3.8564 8.5011 106.7706 46.3251 0.0000 176.6428 22 A 4.0178 8.6077 122.0300 55.2356 18.2008 179.1834 23 D 4.2926 7.9179 117.5708 57.3366 40.8171 178.7381 24 L 3.9878 7.7740 120.5673 57.9253 41.9988 178.3015 25 Q 3.9546 8.0644 118.5080 59.4063 29.2792 178.1991 26 A 4.2972 8.2843 121.6640 55.0839 18.4232 179.2635 27 L 4.0363 8.1260 118.9456 58.3660 42.0131 179.0699 28 K 4.2761 7.9938 115.9457 58.0933 32.1840 178.9030 29 K 3.9962 7.7538 117.9743 57.8993 32.0071 177.4237 30 F 4.8047 8.1000 115.6501 56.7333 39.9935 175.0898 31 I 4.6630 7.4807 114.0814 58.4553 39.9470 175.5635 32 S 4.2009 8.5582 117.1655 59.4243 64.3038 173.6114 33 E 3.7776 8.9236 120.0164 57.2047 27.1541 176.4104 34 G 3.6949 8.0045 107.6710 48.1526 0.0000 174.0609 35 N 4.3748 8.0840 118.7418 55.9699 38.6092 177.5472 36 K 4.0098 8.0311 119.3667 59.3637 32.0738 179.1574 37 R 3.9095 8.5207 119.4042 59.5725 30.0009 178.6721 38 L 4.0247 8.1587 118.7458 57.6221 41.6006 178.9730 39 D 4.4069 8.1987 119.0149 57.6333 40.5065 179.1955 40 S 4.1661 8.3273 115.6779 61.5503 62.7954 176.8224 41 V 3.6200 8.0645 121.1973 66.2074 31.2000 177.5884 42 N 4.3005 8.3657 116.9500 56.6265 38.5231 176.9113 43 S 4.0538 8.0521 114.9335 61.0162 63.3647 176.3810 44 I 3.8488 7.4331 123.1287 63.9942 37.3271 178.3053 45 V 3.5730 7.9949 119.6375 65.9833 31.1759 178.0789 46 S 4.2734 8.1832 112.5832 60.1817 63.1072 175.0788 47 N 4.7235 7.3307 119.0396 52.9569 38.6981 176.3387 48 A 3.9926 7.7017 125.7426 55.2776 18.3614 180.7392 49 S 4.0468 7.9825 113.2687 62.0344 62.9108 176.3971 50 C 4.1857 8.0063 120.7869 62.2323 31.3886 175.4566 51 I 3.7808 7.7779 121.6413 64.4093 36.7008 178.6046 52 V 3.6253 8.0627 119.2358 65.9790 31.3479 177.9450 53 S 4.0746 8.2077 112.9619 61.5455 62.2356 175.6972 54 D 4.3476 8.5870 120.9157 57.1652 40.8775 178.0765 55 A 3.9830 8.1236 121.4698 55.1523 18.4209 179.8512 56 V 3.5435 8.0520 116.9602 66.0126 31.5764 178.1662 57 S 4.2066 8.5951 113.6157 61.3658 62.2177 176.4889 58 G 3.5925 8.3127 108.5151 47.6808 0.0000 175.1982 59 M 4.0012 7.9936 119.9104 58.8282 32.4940 178.2118 60 I 3.9314 7.9156 119.9018 64.3714 37.1135 178.1830 61 C 4.2653 8.3611 114.6906 60.9948 29.6210 175.4032 62 E 4.3142 8.1142 120.3012 57.7343 30.4275 176.8637 63 N 4.9594 7.8809 117.3944 51.4340 39.8396 172.6376 64 P 4.5127 0.0000 0.0000 64.1895 32.2778 178.7888 65 S 4.2056 8.2240 112.8769 60.6812 62.8337 176.3192 66 L 4.0351 8.1071 121.8204 56.9512 41.4217 178.3585 67 I 4.5240 7.6818 109.8981 60.3047 37.9166 175.6818 68 S 4.4030 7.8165 117.0546 57.2813 63.6674 173.4249 69 P 2.0000 0.0000 0.0000 64.2081 30.9088 177.6838 70 S 4.5379 7.2093 110.1384 58.1988 64.6811 175.1798 71 G 4.4023 7.5552 119.0580 45.3464 0.0000 175.5470 *73 C 4.3717 8.6339 123.4723 58.9510 29.6178 173.0681 74 Y 4.2523 7.8274 121.6792 58.6421 39.1733 174.8828 75 T 3.4027 7.6492 114.8073 61.9578 69.2975 172.5745 76 N 4.2781 8.4410 120.2584 56.3643 38.6472 177.5721 77 R 3.8648 7.9064 119.6866 59.6183 30.1397 178.7186 78 R 3.9478 7.8214 117.2373 59.3491 30.0326 178.4979 79 M 3.9689 8.1677 117.8307 58.7052 32.0866 178.0612 80 A 3.9689 8.3686 120.8664 55.2045 18.4618 179.4845 81 A 3.9466 7.9434 118.8848 55.2557 18.3792 179.5033 82 C 4.0388 8.3222 117.2898 62.6974 31.7521 175.6097 83 L 3.9788 8.1936 120.9629 57.8298 41.1621 179.5233 84 R 3.8683 8.2959 118.6687 59.7389 30.0324 178.3020 85 D 4.5934 8.5350 119.0283 57.2274 40.7128 178.9981 86 G 3.7071 8.3420 106.3596 47.9211 0.0000 175.3313 87 E 3.9716 8.1931 122.0516 58.8572 29.6553 178.8750 88 I 3.7306 8.2448 120.2751 64.4797 37.1684 178.4151 89 I 3.8140 8.2282 120.9269 64.4887 36.9216 178.2473 90 L 4.0078 8.2521 121.2089 58.1773 41.7620 179.2869 91 R 3.8437 8.2833 118.2426 59.4984 29.9856 178.6421 92 Y 3.9748 8.0897 116.5153 60.9401 37.8250 178.7715 93 V 3.4017 8.0247 119.3421 66.0393 31.4973 178.2347 94 S 4.1204 8.3129 115.2276 61.8538 62.5838 176.1530 95 Y 3.8538 8.2867 122.1267 60.2585 38.4557 177.6284 96 A 3.8265 7.9210 123.3633 54.3554 18.0958 179.4125 97 L 4.0938 7.5047 117.7035 58.0063 42.2163 178.5977 98 L 4.0250 7.7029 119.8199 58.2017 42.1445 178.7796 99 S 4.2787 7.7901 113.6492 58.6222 62.8953 174.8027 100 G 4.0171 8.7594 109.1196 45.4033 0.0000 172.7519 101 D 4.6192 7.5968 115.8717 51.9935 44.0789 175.0410 102 A 4.5285 8.5158 125.2813 52.0593 19.2880 179.3608 103 S 4.0684 8.4188 116.1106 61.9097 63.1330 176.8958 104 V 3.6073 7.7808 121.6284 65.2645 31.3712 177.3758 105 L 3.8796 7.9868 119.7393 58.3160 41.9057 178.8253 106 E 3.8706 8.4328 118.5929 59.4775 29.2333 178.9277 107 D 4.2638 8.1839 116.9707 56.8550 41.4639 177.5919 108 R 4.3182 8.1528 116.2647 56.1786 31.1470 176.4001 109 C 4.0601 7.4189 116.6378 60.2538 33.2968 174.3714 110 L 4.1497 7.5538 118.7671 56.1648 42.0053 176.1745 111 N 4.4766 7.8861 117.8675 55.3853 38.9587 174.9504 112 G 3.9346 8.8917 115.1184 45.3880 0.0000 174.5343 113 L 3.6465 8.0320 121.7384 57.7938 42.0410 178.5392 114 K 3.9713 7.9133 119.1358 59.6281 32.1812 178.3329 115 E 4.0049 8.1201 118.2959 59.6897 29.3973 179.3298 116 T 3.8276 7.6880 115.3791 66.9893 68.5560 176.3956 117 Y 4.4886 8.0593 118.8116 61.1122 37.6120 178.6081 118 S 4.1856 8.5736 115.8039 61.7285 63.0401 176.3726 119 S 4.2523 8.0330 114.6309 61.4051 62.2145 175.9292 120 L 4.2566 8.0391 120.8494 55.6089 41.3742 178.0125 121 G 3.8362 8.0885 106.0519 45.6801 0.0000 173.1987 122 V 3.7075 7.7114 119.6630 61.0656 32.0960 174.3658 123 P 4.3569 0.0000 0.0000 62.7078 32.1943 177.1233 124 A 3.9997 8.6168 125.5809 54.7824 18.4655 178.9622 125 N 4.2847 8.0728 115.3820 56.2035 37.4960 177.6239 126 S 4.0682 7.9378 117.0174 61.2523 63.0239 175.8901 127 N 4.2106 8.2435 119.5321 56.6826 38.6001 176.6892 128 A 4.0261 8.2761 122.4098 55.1969 18.3553 179.6341 129 R 3.7973 8.1063 117.0633 59.3285 30.0924 178.4743 130 A 3.9737 8.1171 120.7031 55.3020 18.2946 179.8135 131 V 3.6527 7.9965 116.6571 66.3184 31.6355 178.4845 132 S 4.0705 8.3839 115.1644 61.5542 62.6108 176.7605 133 I 3.6994 8.0342 122.8178 64.5629 36.7454 178.3069 134 M 4.0206 8.2208 119.7279 58.1078 31.6792 178.6824 135 K 2.4800 7.7563 119.7093 58.9170 32.4081 178.6763 136 A 3.8629 7.7795 120.8996 55.1891 18.1926 179.2182 137 C 3.9228 8.1117 114.9939 63.1274 28.2344 176.3681 138 A 4.2275 8.1877 122.3797 55.0845 17.9714 179.7041 139 V 3.5302 8.0167 116.7555 66.2815 31.5145 178.2030 140 A 3.9310 7.8225 120.1088 55.0893 18.1253 179.6582 141 F 4.1696 8.2692 116.5279 60.6049 38.7432 178.0251 142 V 3.6925 7.9929 117.1751 66.0081 31.4999 177.1137 143 N 4.5842 8.0562 112.7108 52.4442 39.0300 174.2658 144 N 4.2208 8.0487 118.3276 55.4451 37.8264 174.2736 145 T 4.4149 8.0800 103.2718 60.9545 69.3954 173.8181 146 A 4.0377 7.5133 125.0191 51.6865 19.0842 178.4093 147 S 4.1459 8.3786 114.0304 61.0236 63.2046 174.8594 148 Q 4.3981 7.9783 120.2443 54.4813 28.9978 175.0010 149 K 4.8186 8.3255 122.2265 54.0288 34.8992 175.9651 150 K 4.1952 8.6925 123.3167 56.2031 32.8433 177.0344 151 L 4.1833 8.6424 128.1087 57.5128 42.3104 177.6601 152 S 4.7677 7.6998 111.4653 57.9814 63.0037 173.4921 153 T 4.1921 8.0004 115.1619 61.7424 69.0583 173.1652 154 P 4.2330 0.0000 0.0000 63.0549 31.8192 176.2018 155 Q 4.0855 8.7868 122.5161 55.6775 29.2584 175.8755 156 G 3.8481 7.8613 109.3557 45.9013 0.0000 171.0465 157 D 4.7692 8.7056 118.9439 53.1171 41.9904 175.8917 158 C 4.8852 8.4199 124.1945 59.4734 29.1400 176.1781 159 S 4.2222 9.0408 119.3552 61.2586 62.2283 176.3553 160 G 3.5468 8.0069 109.1970 47.8103 0.0000 175.6352 161 L 4.0090 7.9190 121.1364 57.3032 41.6841 179.3072 162 A 4.0230 8.3851 121.2015 55.0792 18.3015 179.6538 163 S 4.0086 8.2700 111.8080 61.4055 62.3097 175.9641 164 E 3.7061 8.3721 122.4861 59.2432 29.3796 179.2514 165 V 3.8553 8.1465 119.5035 64.6168 31.4858 178.3511 166 G 3.9441 8.4143 106.6643 47.8812 0.0000 175.8038 167 G 3.5376 8.0598 107.9234 47.6336 0.0000 175.4841 168 Y 4.3654 7.2710 118.5421 60.9921 37.8345 178.3526 169 F 4.1939 8.2584 118.7564 60.8768 38.9461 177.5172 170 D 4.4519 8.5374 118.4463 57.1879 40.5550 178.9186 171 K 3.9796 8.2781 119.1943 59.3374 32.1003 179.3939 172 V 3.5911 7.7604 118.0213 66.4111 31.5992 177.9324 173 T 3.9073 8.1909 115.2713 66.8979 68.1297 176.3147 174 A 4.0240 8.1241 121.0157 55.1480 18.4680 179.2619 175 A 4.1169 8.0282 118.7041 54.4057 18.5942 178.9097 176 I 4.3397 7.5125 108.6033 61.2652 38.6678 176.0302 177 S 4.3243 7.9278 121.6987 58.9705 62.6844 173.7944 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 8.22 4.53 0.00 2.62 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 4 A 7.81 3.79 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 5 F 8.65 4.56 0.00 3.14 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 6 S 8.23 4.22 0.00 4.07 3.97 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 7 R 7.80 4.07 0.00 1.98 2.01 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 8 V 7.35 3.70 2.23 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 0.72 0.00 0.00 1.03 0.00 0.00 9 V 7.45 3.67 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 0.05 0.00 0.00 0.91 0.00 0.00 *16 A 6.98 3.93 0.96 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 17 A 8.18 4.55 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.65 4.45 0.00 2.93 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 19 V 8.47 4.19 2.29 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 0.75 0.00 0.00 0.82 0.00 0.00 20 G 7.82 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 21 G 8.50 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.61 4.02 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 23 D 7.92 4.29 0.00 2.86 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 L 7.77 3.99 0.00 1.98 1.88 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.06 3.95 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 26 A 8.28 4.30 1.54 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 0.00 0.00 0.00 27 L 8.13 4.04 0.00 1.85 1.92 0.85 0.55 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 28 K 7.99 4.28 0.00 1.81 1.86 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.66 7.81 29 K 7.75 4.00 0.00 1.27 1.17 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.60 7.81 30 F 8.10 4.80 0.00 2.98 3.04 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 31 I 7.48 4.66 1.91 0.00 0.00 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 1.76 0.72 1.03 0.00 0.00 32 S 8.56 4.20 0.00 4.01 3.92 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 33 E 8.92 3.78 0.00 2.18 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 2.32 2.29 0.00 34 G 8.00 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 0.00 0.00 0.00 35 N 8.08 4.37 0.00 2.76 2.89 0.00 0.00 7.08 7.31 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 36 K 8.03 4.01 0.00 1.94 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.51 7.81 37 R 8.52 3.91 0.00 1.96 2.14 0.00 3.12 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 38 L 8.16 4.02 0.00 1.77 1.72 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.20 4.41 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.33 4.17 0.00 4.03 3.97 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 41 V 8.06 3.62 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 1.05 0.00 0.00 0.98 0.00 0.00 42 N 8.37 4.30 0.00 3.01 2.80 0.00 0.00 7.03 7.18 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 43 S 8.05 4.05 0.00 4.26 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 3.85 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.24 1.00 0.00 0.00 45 V 7.99 3.57 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 0.99 0.00 0.00 0.95 0.00 0.00 46 S 8.18 4.27 0.00 3.99 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 47 N 7.33 4.72 0.00 1.99 2.17 0.00 0.00 6.71 7.20 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 48 A 7.70 3.99 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 49 S 7.98 4.05 0.00 3.86 3.92 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 50 C 8.01 4.19 0.00 3.02 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 51 I 7.78 3.78 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.89 1.02 0.00 0.00 52 V 8.06 3.63 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 1.14 0.00 0.00 0.96 0.00 0.00 53 S 8.21 4.07 0.00 3.98 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 54 D 8.59 4.35 0.00 2.96 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 55 A 8.12 3.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.05 3.54 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 0.95 0.00 0.00 57 S 8.60 4.21 0.00 3.97 3.87 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 58 G 8.31 3.59 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 0.00 0.00 0.00 59 M 7.99 4.00 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 60 I 7.92 3.93 2.00 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 1.59 0.60 0.92 0.00 0.00 61 C 8.36 4.27 0.00 3.09 3.15 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 62 E 8.11 4.31 0.00 2.05 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 0.00 2.34 2.43 0.00 63 N 7.88 4.96 0.00 2.75 2.62 0.00 0.00 7.04 7.75 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 64 P 0.00 4.51 0.00 2.22 2.09 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 65 S 8.22 4.21 0.00 3.97 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 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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 1.06 0.00 0.00 76 N 8.44 4.28 0.00 2.70 2.88 0.00 0.00 6.64 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 77 R 7.91 3.86 0.00 1.85 1.92 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 78 R 7.82 3.95 0.00 2.15 1.98 0.00 3.37 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 79 M 8.17 3.97 0.00 2.12 2.20 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 2.60 2.61 0.00 80 A 8.37 3.97 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 81 A 7.94 3.95 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.32 4.04 0.00 3.00 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 83 L 8.19 3.98 0.00 1.86 1.73 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.09 3.97 0.00 2.98 2.92 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 93 V 8.02 3.40 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 0.37 0.00 0.00 0.56 0.00 0.00 94 S 8.31 4.12 0.00 4.01 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 95 Y 8.29 3.85 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 96 A 7.92 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.50 4.09 0.00 1.79 1.89 1.08 0.99 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 98 L 7.70 4.02 0.00 1.53 1.51 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.79 4.28 0.00 3.56 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 0.00 100 G 8.76 4.02 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 1.57 1.61 0.00 109 C 7.42 4.06 0.00 1.35 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.55 4.15 0.00 1.70 1.64 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.89 4.48 0.00 2.76 2.87 0.00 0.00 7.46 7.27 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 0.00 112 G 8.89 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 0.00 0.00 0.00 113 L 8.03 3.65 0.00 1.77 1.62 0.26 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.91 3.97 0.00 2.12 1.80 0.00 1.95 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.61 7.81 115 E 8.12 4.00 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 2.39 2.38 0.00 116 T 7.69 3.83 4.13 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 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0.00 2.92 3.09 0.00 0.00 6.29 7.80 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 0.00 126 S 7.94 4.07 0.00 3.98 3.92 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 0.00 127 N 8.24 4.21 0.00 2.88 2.75 0.00 0.00 7.14 7.33 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 0.00 128 A 8.28 4.03 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 0.00 129 R 8.11 3.80 0.00 1.95 2.07 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 130 A 8.12 3.97 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 0.00 131 V 8.00 3.65 2.30 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 1.34 0.00 0.00 1.07 0.00 0.00 132 S 8.38 4.07 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.03 3.70 1.86 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 1.50 0.74 0.90 0.00 0.00 134 M 8.22 4.02 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.62 0.00 135 K 7.76 2.48 0.00 1.20 1.68 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.24 1.26 7.81 136 A 7.78 3.86 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 0.00 137 C 8.11 3.92 0.00 3.24 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 0.00 138 A 8.19 4.23 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.02 3.53 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 0.98 0.00 0.00 0.97 0.00 0.00 140 A 7.82 3.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.27 4.17 0.00 3.17 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 0.00 142 V 7.99 3.69 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 0.91 0.00 0.00 1.10 0.00 0.00 143 N 8.06 4.58 0.00 2.74 2.83 0.00 0.00 7.04 8.07 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 0.00 144 N 8.05 4.22 0.00 2.87 2.87 0.00 0.00 6.91 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.08 4.41 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 1.24 0.00 0.00 146 A 7.51 4.04 0.46 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 0.00 147 S 8.38 4.15 0.00 3.98 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 0.00 148 Q 7.98 4.40 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 149 K 8.33 4.82 0.00 1.74 1.72 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.47 7.81 150 K 8.69 4.20 0.00 1.78 1.75 0.00 1.82 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 1.48 1.40 7.81 151 L 8.64 4.18 0.00 1.64 1.68 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 152 S 7.70 4.77 0.00 3.83 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 0.00 153 T 8.00 4.19 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 0.00 154 P 0.00 4.23 0.00 2.04 2.03 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 155 Q 8.79 4.09 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 156 G 7.86 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 0.00 0.00 0.00 157 D 8.71 4.77 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 C 8.42 4.89 0.00 3.01 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 0.00 159 S 9.04 4.22 0.00 3.99 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 0.00 160 G 8.01 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.92 4.01 0.00 1.86 1.77 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.39 4.02 1.41 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 0.00 0.00 163 S 8.27 4.01 0.00 3.89 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 0.00 164 E 8.37 3.71 0.00 2.08 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 0.00 1.98 2.09 0.00 165 V 8.15 3.86 2.23 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 0.99 0.00 0.00 1.17 0.00 0.00 166 G 8.41 3.94 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 0.00 0.00 0.00 167 G 8.06 3.54 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 0.00 0.00 0.00 0.00 168 Y 7.27 4.37 0.00 3.00 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 0.00 169 F 8.26 4.19 0.00 3.31 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 0.00 170 D 8.54 4.45 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.28 3.98 0.00 2.08 1.91 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.70 7.81 172 V 7.76 3.59 2.35 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 1.13 0.00 0.00 0.98 0.00 0.00 173 T 8.19 3.91 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 174 A 8.12 4.02 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 0.00 175 A 8.03 4.12 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 0.00 176 I 7.51 4.34 2.06 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 1.84 0.79 1.11 0.00 0.00 177 S 7.93 4.32 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.