NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6369 8.3649 120.5311 54.2028 43.2462 176.7762 7 N 4.3330 8.2941 116.1753 55.7474 39.2803 172.7949 8 E 4.1001 9.2696 118.6062 59.7836 30.7435 180.3124 9 K 3.9023 7.9837 114.1929 57.0138 31.7680 178.5590 *11 A 4.1972 8.1919 123.7521 52.2632 20.4520 179.8547 12 A 4.0057 8.0414 117.5634 55.1441 18.3533 179.6485 13 L 3.9100 7.8898 118.7617 58.3093 42.1997 179.0381 14 E 3.9378 8.1707 117.8683 59.1991 29.4980 178.7383 15 A 3.8958 8.0017 120.7974 55.3957 18.5243 179.9309 16 K 3.9531 7.8250 116.4325 59.4650 32.0682 179.7040 17 I 3.6877 7.7662 120.1021 64.5899 37.0438 178.0728 18 C 4.0344 8.0016 117.3949 63.3477 28.0119 176.0243 19 H 4.2718 7.9613 117.4322 58.9729 28.2178 177.7440 20 Q 3.7998 8.0036 121.0928 59.0490 28.9174 178.2416 21 I 3.8469 7.6993 120.9108 64.4835 36.9632 178.2673 22 E 4.0886 8.2037 118.4260 59.3629 29.5035 178.5856 23 Y 4.2381 8.1123 119.6797 61.0010 38.6861 177.6769 24 Y 4.4616 7.4777 115.8560 60.9204 38.0489 177.7878 25 F 4.6051 8.1522 115.5072 56.8392 39.6478 175.9122 26 G 4.0323 7.5745 109.7532 43.9525 0.0000 174.7955 27 D 4.2753 8.5250 118.2083 56.4889 40.8911 177.9700 28 F 4.4287 8.0019 116.5313 58.9387 40.4192 176.5191 29 N 4.4826 7.8187 118.3370 55.8374 39.7489 176.4263 30 L 3.8879 7.8075 120.0152 57.6760 42.1748 177.3212 31 P 4.2659 0.0000 0.0000 64.6627 31.3222 177.1294 32 R 4.4040 7.7482 112.1310 55.8025 29.6064 176.5157 33 D 4.6368 7.7214 119.6807 52.6501 40.6663 176.3405 34 K 3.8223 8.3813 127.2855 59.3499 32.2229 177.6853 35 F 4.0982 8.1589 120.1134 61.3659 39.3731 176.7012 36 L 3.7988 8.4019 119.8742 57.9356 41.6617 178.7566 37 K 3.8292 8.0393 117.9370 59.5594 31.7080 178.5190 38 E 4.0010 7.8443 119.3870 59.3000 29.4173 178.9190 39 Q 3.8958 7.5143 118.2631 58.8833 28.6513 178.4400 40 I 3.9303 7.7106 119.7600 63.0910 36.9663 177.7903 41 K 4.1888 7.4580 117.5424 57.8068 32.1865 178.0408 42 L 4.1754 7.4752 119.3944 57.3716 42.3898 177.3613 43 D 4.7543 7.5502 117.5003 53.6600 41.2582 174.2684 44 E 3.5939 9.4205 111.2528 57.5612 27.4855 175.2856 45 G 3.9404 7.9530 107.2958 45.2005 0.0000 175.0604 46 W 4.6360 7.5715 119.5793 56.6672 29.7821 176.2684 47 V 4.5309 8.9369 124.5201 60.2329 34.1242 173.1348 48 P 4.7737 0.0000 0.0000 62.5406 31.9121 177.6376 49 L 3.8031 8.4213 123.6606 57.5476 41.5769 178.8964 50 E 4.4553 8.0173 115.4719 59.0560 30.0016 177.1808 51 I 4.2140 7.6929 120.8470 61.8630 36.9958 177.3406 *53 I 4.3041 7.7595 113.2186 60.4758 39.0882 176.0884 54 K 4.1842 8.2378 119.8582 57.7353 32.5248 177.3934 55 F 4.2609 8.3700 119.5355 56.3803 39.6770 175.2363 56 N 4.3394 8.8815 122.7635 57.1484 38.4409 176.9184 57 R 4.0654 8.2120 118.7656 58.8487 30.2321 178.6670 58 L 3.9246 8.1713 120.4713 58.2583 41.9910 178.1564 59 N 4.3932 8.0841 115.6402 57.2116 38.8402 176.0931 60 R 4.0492 7.8546 118.4532 59.3981 30.1168 178.3031 61 L 4.1740 7.3708 117.5422 56.5487 42.1974 176.9891 62 T 4.4969 7.1143 109.3869 61.6649 70.4417 172.8214 63 T 4.5737 8.4460 114.4609 61.0008 69.9987 173.8248 64 D 4.5558 8.2720 123.3590 53.8935 41.8544 176.5608 65 F 4.4920 8.8609 127.1000 60.8688 38.9855 177.3415 66 N 4.4451 8.6815 116.3186 56.1776 38.2988 177.6762 67 V 3.6129 7.9894 119.2860 65.9405 31.7568 177.8720 68 I 3.7093 7.6984 119.1702 64.4172 36.9624 178.5437 69 V 3.5568 7.7334 118.7703 65.9618 31.1758 177.5383 70 E 3.8865 7.9433 117.4252 59.2039 29.8742 178.2743 71 A 4.1298 8.0864 120.6005 55.4577 18.4021 179.7235 72 L 3.9980 8.0001 117.4422 57.7392 41.4274 179.8369 73 S 4.2655 8.0235 113.2657 60.1981 62.9749 174.9881 74 K 4.4328 7.4411 119.2959 55.7495 32.8150 176.3609 75 S 4.1719 7.5502 114.7279 58.5422 62.6132 174.1105 76 K 4.2879 8.4916 124.7848 56.8521 32.0825 177.7235 77 A 4.0620 8.1625 123.0172 53.1911 18.6422 177.5317 78 E 3.7682 7.9516 113.9368 57.5732 27.2349 174.7670 79 L 4.3190 7.1854 114.6070 55.6868 43.5037 175.6575 *81 E 4.4302 7.9300 116.7355 56.9830 31.2903 174.4396 82 I 5.1693 8.2407 122.4700 59.3285 39.9715 175.8994 83 S 3.6059 8.5982 120.7602 57.9904 63.6966 174.9835 84 E 3.8459 8.7119 121.2399 59.7936 29.1372 178.3219 85 D 4.4561 7.7876 113.7458 52.9724 39.9093 176.5686 86 K 3.8710 7.6213 117.8916 57.7152 30.0696 176.3601 87 T 4.5281 7.9252 109.7428 62.0331 70.2903 174.1409 88 K 5.1895 7.7952 121.2088 55.7347 36.5932 174.9208 89 I 5.6299 8.8012 113.8663 59.6942 41.2970 174.0945 90 R 4.5380 8.1763 118.5137 54.4384 32.5980 174.5378 91 R 3.9695 8.0126 120.9232 55.8577 30.9649 176.2677 92 S 4.0641 8.8244 121.7311 57.5857 62.9117 173.1908 93 P 4.3695 0.0000 0.0000 64.6414 31.2873 177.1908 94 S 4.3477 7.8009 112.9881 59.4526 63.5133 174.7523 95 K 4.5032 7.4443 121.0329 53.7984 31.7034 173.9301 96 P 4.4499 0.0000 0.0000 61.7739 32.5801 177.3748 97 L 4.0685 8.0568 119.7378 53.5859 42.2057 175.5738 98 P 4.0546 0.0000 0.0000 62.6012 31.5168 175.6840 99 E 3.8942 8.2874 122.1152 56.2141 30.1692 177.8405 100 V 3.8749 8.0089 127.5681 62.0891 30.1144 175.2967 101 T 4.5006 7.5453 116.1080 59.7174 72.5249 175.2573 102 D 4.3871 8.4607 119.8780 57.5339 40.8610 178.7278 103 E 3.9818 8.2215 118.5440 59.5890 29.5370 178.5067 104 Y 4.1120 7.9584 119.1474 60.8694 38.8954 178.2664 105 K 3.7917 8.1702 119.2034 59.6525 32.2506 179.0802 106 N 4.3264 8.2825 116.6096 56.1648 38.1987 176.9841 107 D 4.2615 7.6528 118.0717 57.2994 41.6904 178.1298 108 V 3.6987 7.4379 118.6777 65.9259 31.6388 177.7945 109 K 3.9593 7.9875 119.3218 59.6454 31.8373 178.1272 110 N 4.6849 8.0967 114.7731 54.6814 38.6627 175.6085 111 R 4.9708 8.0734 117.1893 55.9485 31.1816 175.0276 112 S 5.4956 8.3803 115.2893 57.6223 65.5466 173.4284 113 V 4.9572 8.7468 122.7314 61.3921 35.2250 173.2474 114 Y 5.2150 9.2502 128.7011 56.2645 41.0624 174.3017 115 I 4.8781 7.9202 126.1443 59.3289 41.4715 174.0303 116 K 4.3749 9.2028 128.1515 54.3692 34.8258 175.0999 117 G 3.2094 7.8893 116.7686 44.8627 0.0000 174.0399 118 F 3.9422 7.1447 119.9623 55.9942 39.9143 173.5741 119 P 4.4424 0.0000 0.0000 62.7864 31.7347 177.4638 120 T 4.0519 8.4097 109.6648 63.5655 68.9530 174.6114 121 D 4.7879 7.9427 120.1452 52.7855 39.9750 176.2423 122 A 4.2531 7.8928 123.6381 52.7262 19.0119 178.2903 123 T 4.3228 8.4416 112.8146 59.8535 72.1824 175.8650 124 L 3.6751 8.0601 122.4339 58.4575 41.9246 178.6330 125 D 4.3183 7.9846 118.1394 57.5331 40.8490 178.4310 126 D 4.4410 7.9747 119.2206 57.5014 40.9679 179.0047 127 I 3.6854 7.6030 120.2905 64.0938 36.8094 178.5190 128 K 3.8838 8.0330 118.6899 59.6871 32.0832 178.8142 129 E 4.4790 8.2062 120.0020 58.7069 29.1330 179.3073 130 W 4.2161 8.1065 127.0824 60.2620 31.0983 177.4215 131 L 4.1639 8.2245 117.1415 55.5308 41.0980 178.5944 132 E 3.9212 7.4745 120.1957 58.8634 29.5886 179.3454 133 D 4.9391 7.8624 116.1560 54.2531 41.5896 176.7763 134 K 4.4044 8.0552 116.3090 55.8494 32.9270 177.0241 135 G 4.1477 8.1011 105.9704 44.0381 0.0000 173.4978 136 Q 4.0771 8.7799 121.4947 55.9827 30.1201 174.8075 137 V 4.4088 8.2314 126.1119 61.2460 33.0427 175.0317 138 L 4.4727 8.8089 127.2216 56.0571 43.0491 176.4310 139 N 4.8665 7.3845 115.7113 52.2765 42.5289 173.2345 140 I 4.4138 8.1809 125.6344 59.8937 40.0402 174.4591 141 Q 4.5876 8.8576 130.4976 54.3320 32.4519 173.9094 *143 R 4.5982 8.2512 116.3240 56.4312 31.6522 175.4821 144 R 5.1615 8.4515 120.3734 54.2924 34.3305 175.1744 145 T 4.2046 8.4356 111.0457 61.2053 69.4418 175.4410 146 L 3.9244 8.5017 121.6877 57.9979 41.6395 178.0523 147 H 4.5970 8.2369 113.4838 55.2832 28.6394 175.2836 148 K 3.9133 8.2639 117.2154 57.1525 29.9849 175.7839 149 A 4.4019 7.7098 122.0330 51.1640 19.4352 177.6026 150 F 5.0356 8.6113 123.9019 58.0904 39.9748 175.8039 151 K 3.8596 8.4958 127.4323 57.3856 32.4209 178.1926 152 G 3.2484 5.8486 107.1969 44.3180 0.0000 172.4810 153 S 5.1874 6.9313 112.8435 56.2404 66.1013 173.2157 154 I 4.7853 8.1522 113.4315 59.4161 41.5004 173.6563 155 F 5.6091 8.6410 121.4372 55.8988 41.9023 174.9230 156 V 4.7112 8.8717 122.0033 61.0363 34.9341 174.1104 157 V 4.5540 8.0087 127.3394 61.2984 33.1088 175.0952 158 F 4.8008 8.7476 126.8450 56.5814 39.8074 175.6555 159 D 4.7177 8.7836 121.1712 57.0693 41.7810 176.4562 160 S 4.8285 7.9822 110.6989 55.4552 66.4431 174.7253 161 I 3.8352 8.4523 121.9883 64.4175 36.7652 178.2987 162 E 3.9784 8.2895 119.0800 59.8639 29.3522 179.5829 163 S 4.0683 7.9104 114.4005 61.3668 62.8432 176.6385 164 A 2.8875 7.6600 122.9012 54.8031 18.1242 179.8452 165 K 4.1370 8.2887 117.0730 59.5147 31.9273 179.3525 166 K 3.8559 7.7996 118.7465 59.4669 32.2142 178.2940 167 F 4.2290 7.9907 120.6793 61.4379 39.1560 177.3263 168 V 3.4055 7.5875 116.4031 65.7285 31.3769 176.9583 169 E 4.3796 8.0689 115.3383 56.0356 29.5304 176.4944 170 T 4.2704 7.0029 117.7936 61.9330 68.9645 173.1448 171 P 4.3849 0.0000 0.0000 64.6901 32.0097 176.8149 172 G 4.0326 7.8805 106.5657 45.4423 0.0000 173.0690 173 Q 4.4503 7.8773 119.3887 54.8743 29.6806 175.3698 174 K 4.6174 8.5525 120.5775 54.8078 36.3536 175.3938 175 Y 4.4134 8.3488 123.2405 56.4878 40.1244 177.6976 176 K 3.7342 8.4156 130.4913 57.9151 30.6176 177.0829 177 E 4.4074 9.3392 127.5315 57.1377 30.4741 175.2622 178 T 4.4713 7.7596 111.2168 59.5456 70.2366 174.2102 179 D 4.6857 8.5742 126.1655 54.2999 41.5724 175.3797 180 L 4.7147 7.7467 121.9654 52.8344 44.4641 175.6418 181 L 4.5238 8.4195 124.8226 53.8769 43.6062 175.1863 182 I 5.0829 8.3437 126.4945 59.6053 40.1330 174.8768 183 L 5.0303 8.9357 125.5938 52.7295 46.5717 176.3660 184 F 4.4602 8.9992 120.0586 57.2810 39.9500 176.5935 185 K 4.1620 9.1697 124.9835 59.6697 32.2469 178.8076 186 D 4.4224 8.4369 117.6760 57.0907 40.7283 176.8878 187 D 4.8992 8.2177 116.0984 54.3057 41.5088 175.4210 188 Y 4.7088 7.6617 121.0899 55.9880 40.1135 175.2770 189 F 3.8705 7.7424 124.0040 57.5798 40.0760 174.5063 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 D 8.36 4.64 0.00 2.67 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 7 N 8.29 4.33 0.00 2.79 2.86 0.00 0.00 6.92 6.78 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 8 E 9.27 4.10 0.00 2.02 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 2.41 2.37 0.00 9 K 7.98 3.90 0.00 1.82 1.82 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.44 7.81 *11 A 8.19 4.20 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 12 A 8.04 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.89 3.91 0.00 1.90 1.68 0.93 0.99 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 14 E 8.17 3.94 0.00 2.16 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 2.40 2.38 0.00 15 A 8.00 3.90 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 16 K 7.83 3.95 0.00 1.93 1.86 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 17 I 7.77 3.69 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.79 0.92 0.00 0.00 18 C 8.00 4.03 0.00 3.03 3.08 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 19 H 7.96 4.27 0.00 3.30 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.00 3.80 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.28 1.88 0.00 21 I 7.70 3.85 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.92 1.01 0.00 0.00 22 E 8.20 4.09 0.00 2.05 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 2.36 2.37 0.00 23 Y 8.11 4.24 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.48 4.46 0.00 3.06 2.66 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 25 F 8.15 4.61 0.00 2.98 3.02 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 0.00 0.00 0.00 26 G 7.57 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.53 4.28 0.00 2.38 2.31 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 28 F 8.00 4.43 0.00 3.07 3.19 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 29 N 7.82 4.48 0.00 2.14 2.57 0.00 0.00 6.84 6.66 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 30 L 7.81 3.89 0.00 1.84 1.69 0.78 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.27 0.00 2.03 2.04 0.00 3.62 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 2.04 1.98 0.00 32 R 7.75 4.40 0.00 1.95 2.00 0.00 3.10 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 33 D 7.72 4.64 0.00 2.93 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 34 K 8.38 3.82 0.00 1.87 1.83 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.52 7.81 35 F 8.16 4.10 0.00 3.04 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 36 L 8.40 3.80 0.00 1.89 1.58 0.70 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.04 3.83 0.00 1.90 1.83 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.65 7.81 38 E 7.84 4.00 0.00 2.01 1.90 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 2.21 2.29 0.00 39 Q 7.51 3.90 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 1.68 2.16 0.00 40 I 7.71 3.93 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.01 0.89 0.00 0.00 41 K 7.46 4.19 0.00 1.72 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.65 7.81 42 L 7.48 4.18 0.00 1.60 1.74 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.55 4.75 0.00 2.76 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 44 E 9.42 3.59 0.00 2.27 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 2.24 2.31 0.00 45 G 7.95 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 46 W 7.57 4.64 0.00 3.43 3.05 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 0.00 0.00 0.00 47 V 8.94 4.53 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 1.09 0.00 0.00 1.09 0.00 0.00 48 P 0.00 4.77 0.00 2.16 2.09 0.00 3.72 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 2.16 2.16 0.00 49 L 8.42 3.80 0.00 0.30 0.46 0.62 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.02 4.46 0.00 2.27 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0.00 0.00 127 I 7.60 3.69 1.56 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.80 0.56 0.00 0.00 128 K 8.03 3.88 0.00 1.84 1.83 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.47 7.81 129 E 8.21 4.48 0.00 2.28 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 2.35 2.43 0.00 130 W 8.11 4.22 0.00 3.58 3.62 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 0.00 131 L 8.22 4.16 0.00 1.92 1.61 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 132 E 7.47 3.92 0.00 2.02 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 2.32 2.65 0.00 133 D 7.86 4.94 0.00 2.55 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 0.00 134 K 8.06 4.40 0.00 1.67 1.97 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.17 7.81 135 G 8.10 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.78 4.08 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 137 V 8.23 4.41 1.83 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 0.58 0.00 0.00 0.37 0.00 0.00 138 L 8.81 4.47 0.00 1.09 1.67 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.38 4.87 0.00 2.23 2.20 0.00 0.00 7.01 7.92 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 0.00 140 I 8.18 4.41 1.66 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.57 0.71 0.00 0.00 141 Q 8.86 4.59 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 *143 R 8.25 4.60 0.00 1.88 1.88 0.00 2.21 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.41 0.00 144 R 8.45 5.16 0.00 1.79 1.82 0.00 3.24 0.00 0.00 3.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 145 T 8.44 4.20 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 1.27 0.00 0.00 146 L 8.50 3.92 0.00 1.69 1.76 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.24 4.60 0.00 3.15 3.33 0.00 5.80 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.26 3.91 0.00 1.93 1.96 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.38 7.81 149 A 7.71 4.40 1.29 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 0.00 150 F 8.61 5.04 0.00 2.80 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 0.00 151 K 8.50 3.86 0.00 1.60 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.36 7.81 152 G 5.85 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 6.93 5.19 0.00 3.34 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 0.00 154 I 8.15 4.79 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.81 0.00 0.00 155 F 8.64 5.61 0.00 3.10 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 0.00 156 V 8.87 4.71 1.92 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 0.26 0.00 0.00 0.82 0.00 0.00 157 V 8.01 4.55 1.49 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 0.80 0.00 0.00 0.75 0.00 0.00 158 F 8.75 4.80 0.00 3.07 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 0.00 159 D 8.78 4.72 0.00 2.76 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 0.00 160 S 7.98 4.83 0.00 4.16 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 0.00 161 I 8.45 3.84 1.91 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 1.69 0.59 0.99 0.00 0.00 162 E 8.29 3.98 0.00 2.07 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 2.42 2.50 0.00 163 S 7.91 4.07 0.00 3.83 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 0.00 164 A 7.66 2.89 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 0.00 165 K 8.29 4.14 0.00 2.02 2.16 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.77 7.81 166 K 7.80 3.86 0.00 1.92 1.93 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 167 F 7.99 4.23 0.00 2.89 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 0.00 168 V 7.59 3.41 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 0.89 0.00 0.00 0.52 0.00 0.00 169 E 8.07 4.38 0.00 2.04 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 2.49 0.00 170 T 7.00 4.27 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 1.16 0.00 0.00 171 P 0.00 4.38 0.00 2.16 2.15 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 172 G 7.88 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 7.88 4.45 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 174 K 8.55 4.62 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 175 Y 8.35 4.41 0.00 2.32 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 K 8.42 3.73 0.00 1.88 1.09 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.89 0.75 7.81 177 E 9.34 4.41 0.00 1.95 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 2.24 2.27 0.00 178 T 7.76 4.47 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 1.22 0.00 0.00 179 D 8.57 4.69 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.75 4.71 0.00 1.38 1.31 0.25 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 181 L 8.42 4.52 0.00 1.75 1.48 0.99 1.04 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 0.00 182 I 8.34 5.08 1.80 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.93 0.00 0.00 183 L 8.94 5.03 0.00 1.84 1.71 1.15 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 184 F 9.00 4.46 0.00 3.27 3.06 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 0.00 185 K 9.17 4.16 0.00 2.05 1.89 0.00 1.27 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.37 1.45 7.81 186 D 8.44 4.42 0.00 2.79 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 0.00 187 D 8.22 4.90 0.00 3.02 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 0.00 188 Y 7.66 4.71 0.00 2.71 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 0.00 189 F 7.74 3.87 0.00 2.76 2.71 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.