NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.1009 8.0549 114.0580 60.5063 32.0861 174.5658 8 P 4.3282 0.0000 0.0000 62.0446 32.8758 173.7027 9 T 5.0160 9.1910 120.9004 63.0453 69.7872 174.3509 10 V 4.4817 8.5528 119.3571 58.5416 34.9060 175.7990 11 I 3.7289 8.1491 125.3736 61.5541 35.9570 174.0327 *21 F 4.6599 7.4786 117.4268 56.2027 39.5503 174.7293 22 D 5.7133 8.2672 121.6016 52.6288 41.2174 176.8038 23 I 3.5332 8.0381 119.1549 64.2967 37.8996 177.3052 24 Y 4.2201 7.4982 117.1630 61.2544 37.5063 178.7185 25 S 3.9829 8.1131 115.0269 61.2404 63.1368 176.2316 26 R 3.5921 7.5895 121.7165 59.4964 29.8626 178.6412 27 L 4.1576 8.1115 118.2500 57.1900 41.5058 179.1419 28 L 4.2625 7.9992 120.7995 57.7684 41.7685 178.6831 29 K 4.0900 7.7223 118.5106 58.5774 32.0579 177.5332 30 E 4.5840 7.8217 116.3738 55.4624 30.1216 175.6218 31 R 3.9724 8.2618 117.3133 57.4750 27.9397 175.2159 32 I 5.0798 7.8546 118.4375 59.7680 38.9124 175.6933 33 V 4.6252 8.9629 126.5902 61.0729 34.9281 173.9270 34 F 5.5095 9.1562 125.1610 55.7245 41.6601 174.3860 35 L 4.8168 9.3993 126.2527 53.5316 43.8172 174.6160 36 N 5.2613 8.7972 124.7912 53.6278 41.6416 174.5323 37 G 3.8580 8.8058 114.7039 43.8974 0.0000 172.2309 38 E 4.3475 8.2821 116.0778 56.2352 30.9659 177.0011 39 V 4.0810 8.8090 122.9576 62.7208 32.6150 174.5397 40 N 5.4667 8.7208 125.2148 50.8196 41.0509 174.8744 41 D 4.3408 8.9538 117.2840 58.0411 40.8272 178.2874 42 H 4.1093 8.3116 118.2198 59.4788 29.6066 177.2686 43 S 4.1383 9.0787 116.1398 61.1024 62.9149 176.3063 44 A 4.0121 8.2984 124.6369 55.0182 18.2006 178.9866 45 N 4.2015 8.4378 115.9530 56.7852 38.9624 176.6404 46 L 3.8793 7.7044 120.3291 58.0215 41.6805 179.7581 47 V 3.5095 7.4201 117.3656 66.0635 31.3687 178.0936 48 I 3.6098 7.7663 119.1823 64.2776 36.9362 178.1545 49 A 3.9997 8.5418 121.8594 55.5426 18.2453 179.8079 50 Q 4.0734 8.2831 116.4020 58.8616 28.5663 179.0306 51 L 3.9479 8.1055 120.5508 57.7623 41.6940 179.4771 52 L 4.0252 8.2102 119.1955 57.6024 41.5028 179.3040 53 F 4.1869 8.4356 120.6070 61.5027 39.4245 177.2767 54 L 3.6408 8.0606 118.2121 57.1995 41.0330 179.3519 55 E 3.7775 7.5154 118.7845 59.2037 29.7524 178.1463 56 S 4.2215 7.6535 113.8555 61.9615 63.0222 176.5658 57 E 4.1943 7.5072 119.2006 58.0922 29.1320 177.2914 58 D 4.3098 7.7331 120.8954 52.7887 42.8646 173.7603 59 P 4.2375 0.0000 0.0000 65.2220 31.4709 177.4060 60 D 4.6068 7.9495 114.9117 54.0989 41.3354 176.1587 61 K 4.3717 7.3738 120.3789 55.2990 33.0724 176.3237 62 D 4.5745 8.6245 126.2566 54.5661 41.7243 175.5305 63 I 4.3858 8.1084 121.9079 59.6796 40.5038 174.3699 64 Y 4.6819 8.8922 124.2519 56.4769 39.9575 174.8085 65 F 5.4157 9.3272 129.2049 56.9383 41.0256 173.9504 66 Y 4.7852 9.4276 125.6986 57.0736 39.5516 174.8580 67 I 4.7269 8.8592 125.1872 59.5929 40.4873 174.2722 68 N 5.3027 9.2950 125.6694 51.8712 40.8895 172.0892 69 S 5.1540 9.5292 119.6535 55.7269 66.3090 172.3078 70 P 4.4682 0.0000 0.0000 62.9883 31.9441 178.0026 71 G 3.8350 7.5931 107.7782 46.8297 0.0000 174.6644 72 G 5.2148 8.6253 116.8239 47.0973 0.0000 173.7216 *74 V 4.1516 7.2889 119.5976 62.8617 33.2298 177.3626 75 T 3.8801 8.0636 107.7088 64.6787 69.0018 175.1563 76 A 4.1334 8.2953 125.2713 54.8998 18.5950 180.8076 77 G 3.7600 7.7327 102.3107 46.0466 0.0000 175.6701 *79 G 3.8695 8.2380 110.7736 45.2678 0.0000 176.3127 80 V 3.5587 7.5752 118.6302 65.7460 31.5865 177.0782 81 Y 4.2086 8.2241 118.4682 60.9461 38.9195 177.5545 82 D 4.6145 8.3563 119.1012 57.5804 41.0810 180.4028 83 T 4.2482 7.9636 116.3436 63.6430 68.3053 176.2811 *85 Q 4.1904 8.1149 121.4060 55.8818 30.9635 176.9287 86 F 4.3165 8.5797 120.2767 60.8260 39.5847 175.9750 87 I 3.9056 7.5004 112.5235 60.2802 38.1693 176.2568 88 K 3.9328 8.4722 122.3869 59.2013 32.0211 176.3212 89 P 4.2037 0.0000 0.0000 63.0258 32.0135 175.8805 90 D 4.3107 8.7322 123.7457 54.6773 42.1071 175.3614 91 V 4.4473 8.3088 123.8955 61.4118 33.0268 174.4927 92 S 4.9078 8.8827 124.6231 57.9566 63.9278 172.7078 93 T 5.0781 8.5847 116.3411 60.0106 71.5890 173.2620 94 I 4.8654 8.4870 125.0191 59.5316 40.9677 174.1577 95 C 4.8337 9.3052 129.9939 58.6515 32.4522 173.7798 96 I 4.4500 9.4265 122.0497 59.1636 37.5515 178.5211 97 G 4.8770 7.0073 119.8045 47.1981 0.0000 172.2645 98 L 5.2890 7.7468 121.7334 52.6083 46.4860 174.7849 99 A 4.9910 9.1758 126.4750 50.2904 21.1033 174.4582 100 A 4.6569 8.5462 121.7241 51.8574 22.1070 176.1278 101 S 3.5534 8.5894 118.0079 59.8016 62.6445 174.4916 *103 G 3.8985 7.8445 107.1465 45.4856 0.0000 174.9354 104 S 4.1893 7.9080 115.3954 60.5527 63.0691 176.4326 105 L 3.9329 7.7906 123.8630 58.0940 41.7635 178.6664 106 L 4.1810 7.8701 117.2678 57.6252 41.7871 178.6182 107 L 4.0141 7.9613 120.1103 58.2709 41.8501 178.8586 108 A 4.5698 7.3661 119.6470 53.2703 18.4696 178.6279 109 G 3.9066 7.5424 102.3275 43.7184 0.0000 173.8945 110 G 3.9776 7.1908 108.4001 45.4609 0.0000 173.5589 111 A 4.2135 8.7280 122.0136 51.8247 19.4975 177.4120 112 K 3.8210 8.7207 120.3118 58.4548 32.2131 177.6899 113 G 3.9448 9.2543 112.5138 45.5334 0.0000 173.5094 114 K 4.5140 8.1631 119.8105 56.1194 33.7100 175.6036 115 R 4.8229 8.2053 120.3083 54.7995 32.1084 175.2313 116 Y 5.3201 9.4167 122.1438 56.2226 42.0386 174.7720 117 S 5.1758 8.8404 115.8095 56.4845 66.0023 173.5132 118 L 4.7685 8.4875 125.0220 53.8214 42.4755 176.5861 119 P 4.2930 0.0000 0.0000 65.4254 31.4166 177.8605 120 S 4.6578 7.8783 111.4082 58.3112 63.1165 174.2363 121 S 4.5865 7.5798 116.7405 58.8029 63.5087 173.6047 122 Q 4.7310 8.8241 122.4603 54.5925 30.6824 174.9156 123 I 5.5485 8.4295 122.8788 58.2143 41.6983 174.5289 *125 I 3.9524 8.0583 115.6660 61.6402 39.0997 174.1877 126 H 5.2295 8.2255 117.8666 55.2211 31.0238 172.5872 127 Q 4.5559 8.2232 117.6178 54.2840 29.8785 174.2998 128 P 4.3863 0.0000 0.0000 62.8165 32.0218 175.5993 129 L 4.7248 7.9747 119.2038 53.4532 44.1301 175.7796 130 G 4.1068 8.1303 108.6618 45.6143 0.0000 172.7516 131 G 4.0964 8.1441 105.6137 44.6305 0.0000 172.7395 132 F 5.0537 8.7665 126.0570 56.3312 42.5002 173.6992 133 R 4.4093 8.9497 125.7682 53.1933 32.9288 176.8942 134 G 3.5414 7.9758 107.5777 45.2033 0.0000 172.6438 135 Q 4.1036 8.1212 119.2227 55.6058 30.7216 176.7719 136 A 4.0044 8.6693 125.2990 55.8034 18.3176 180.2251 137 S 4.1049 8.1845 112.7374 62.2004 62.9292 176.8059 138 D 4.4813 8.1544 120.7306 57.3460 40.6880 178.5891 139 I 3.9890 8.4365 120.8754 64.4304 37.0513 177.8451 140 E 3.9166 8.6703 120.3544 59.4919 29.6086 178.6438 141 I 3.6645 7.8772 119.6824 65.1235 37.1590 178.1909 142 H 4.0535 8.3016 116.4250 58.3882 28.4244 177.5428 143 A 3.9906 8.4668 123.1266 55.2925 18.2531 179.4729 144 K 3.7621 8.2728 116.9115 59.9724 32.1703 179.0331 145 N 4.2705 8.0253 116.5882 56.6226 38.9120 176.8408 146 I 3.6734 8.0664 120.3778 63.8872 38.0389 177.8448 147 L 4.0067 8.1316 120.1384 57.7686 41.3506 179.5949 148 R 3.9209 7.8689 117.9444 59.4485 30.0204 179.2358 149 I 3.6684 7.9152 119.5809 63.9940 36.9994 178.2393 150 K 3.8324 8.5386 120.9502 59.5638 31.9554 178.2202 151 D 4.2587 8.0947 117.9857 57.4838 41.1810 178.1429 152 R 3.8537 8.2066 119.4275 59.3539 30.0449 178.4376 153 L 3.9068 8.0471 118.7814 57.9145 41.5763 179.1604 154 N 4.3641 8.3234 116.4516 56.3005 38.4536 177.6462 155 K 3.9618 8.1706 119.9626 59.2943 32.1228 179.5225 156 V 3.6045 8.1270 118.9352 66.0603 31.3612 178.0903 157 L 4.0241 8.0318 118.4208 57.7152 41.4655 179.2980 158 A 3.9519 8.2439 120.8839 55.4155 18.0881 179.1748 159 H 4.0497 8.0707 115.4752 59.8703 30.0855 176.9643 160 H 4.3768 8.1129 116.5893 58.2736 28.6757 177.3527 161 T 4.8869 7.4778 112.8525 62.0861 69.1163 176.0435 162 G 3.8820 8.0057 108.8132 44.7604 0.0000 173.5180 163 Q 4.0075 7.2093 120.1384 55.6633 29.8432 175.9809 164 D 4.5523 8.2591 121.9439 53.6536 42.9555 177.2124 165 L 3.9146 8.5580 124.3022 58.7407 41.9937 179.2927 166 E 3.9721 8.1098 118.3740 59.2817 29.5578 178.8144 167 T 3.8953 7.8093 115.5813 66.5516 68.5035 176.4170 168 I 3.7929 7.7135 121.7422 64.4214 36.9418 178.4834 169 V 3.5787 7.6696 117.5152 66.0823 31.4997 177.6655 170 K 4.0704 8.0050 118.0352 59.7504 31.7954 178.5350 171 D 4.5215 8.2542 116.2767 55.4711 41.1259 177.5542 172 T 4.4871 7.4420 109.6248 61.3313 69.0751 175.2085 173 D 4.3825 7.6354 121.6731 56.4070 41.4097 176.0192 174 R 4.7176 6.9844 114.9636 53.6210 34.3410 174.0503 175 D 4.2415 8.6641 118.2766 55.4348 41.3365 176.2841 176 N 4.7782 8.2575 120.8043 51.9399 40.8603 173.6574 177 F 4.5929 8.8099 124.4467 56.5123 40.6348 175.9767 *180 A 4.4228 8.4861 122.8216 52.3657 20.3835 179.0150 181 D 4.4840 7.9091 115.2504 56.3212 39.5091 178.5482 182 E 3.9887 8.1673 119.7610 59.2114 29.5853 178.8168 183 A 4.0357 7.9545 120.4778 54.7713 18.5638 179.5025 184 K 4.1035 8.4251 119.3937 59.2765 32.1685 179.0596 185 A 4.0621 7.9929 119.5461 55.1513 18.2918 178.5594 186 Y 4.2178 8.0821 117.7247 58.8712 39.1133 176.4193 187 G 4.0189 8.0301 107.7918 45.3656 0.0000 175.0010 188 L 4.2574 8.7521 122.2714 55.8852 41.7865 176.5098 189 I 4.7668 7.3491 110.3222 59.3998 40.8617 174.7516 190 D 4.6100 8.7617 119.5972 55.3082 42.5312 177.1392 191 H 5.0095 7.6870 113.5604 53.8912 33.4674 172.5201 192 V 5.0520 8.5723 121.5267 61.1292 33.2967 174.6636 193 I 4.5825 8.5863 121.2473 59.4758 39.0120 175.1142 194 E 4.4910 9.0824 124.9653 57.0805 31.0373 176.2275 195 S 4.7649 7.5417 111.7452 56.4817 66.9722 173.9375 196 R 4.0512 8.5564 122.5935 59.3311 30.3591 177.8656 197 E 4.0023 8.3294 116.1525 59.2896 29.7060 176.5810 198 A 4.1666 8.0996 124.0457 52.7328 18.2978 177.0287 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 7 V 8.05 4.10 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 1.01 0.00 0.00 0.96 0.00 0.00 8 P 0.00 4.33 0.00 2.10 1.93 0.00 3.46 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 9 T 9.19 5.02 4.27 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 1.31 0.00 0.00 10 V 8.55 4.48 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 0.69 0.00 0.00 1.06 0.00 0.00 11 I 8.15 3.73 1.89 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 1.47 0.47 0.90 0.00 0.00 *21 F 7.48 4.66 0.00 3.20 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 22 D 8.27 5.71 0.00 2.91 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 23 I 8.04 3.53 1.70 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 1.33 1.38 0.35 0.00 0.00 24 Y 7.50 4.22 0.00 3.23 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 25 S 8.11 3.98 0.00 3.54 3.45 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 26 R 7.59 3.59 0.00 1.77 1.99 0.00 3.13 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 27 L 8.11 4.16 0.00 1.93 1.87 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.00 4.26 0.00 1.97 1.87 1.14 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.72 4.09 0.00 1.83 1.98 0.00 2.13 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.64 7.81 30 E 7.82 4.58 0.00 2.16 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 2.28 2.42 0.00 31 R 8.26 3.97 0.00 2.16 2.06 0.00 3.10 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 32 I 7.85 5.08 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.74 0.00 0.00 33 V 8.96 4.63 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 1.01 0.00 0.00 0.94 0.00 0.00 34 F 9.16 5.51 0.00 2.94 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 35 L 9.40 4.82 0.00 2.14 1.56 1.03 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.80 5.26 0.00 2.77 2.63 0.00 0.00 7.46 7.98 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 37 G 8.81 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 38 E 8.28 4.35 0.00 2.11 1.99 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 2.30 2.34 0.00 39 V 8.81 4.08 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 0.99 0.00 0.00 0.99 0.00 0.00 40 N 8.72 5.47 0.00 2.89 3.04 0.00 0.00 6.57 7.63 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 41 D 8.95 4.34 0.00 2.73 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 42 H 8.31 4.11 0.00 3.25 3.51 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.08 4.14 0.00 4.07 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.30 4.01 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 45 N 8.44 4.20 0.00 2.94 2.79 0.00 0.00 7.28 6.26 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 46 L 7.70 3.88 0.00 1.79 1.67 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.42 3.51 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 0.71 0.00 0.00 1.11 0.00 0.00 48 I 7.77 3.61 1.99 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 1.43 0.65 0.89 0.00 0.00 49 A 8.54 4.00 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 50 Q 8.28 4.07 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 51 L 8.11 3.95 0.00 1.78 1.65 0.70 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.21 4.03 0.00 1.87 1.77 0.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.44 4.19 0.00 3.14 3.29 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 54 L 8.06 3.64 0.00 1.89 1.63 0.94 0.73 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 55 E 7.52 3.78 0.00 1.99 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 2.24 2.26 0.00 56 S 7.65 4.22 0.00 3.96 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 57 E 7.51 4.19 0.00 1.75 1.81 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 1.47 1.76 0.00 58 D 7.73 4.31 0.00 2.58 2.42 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 59 P 0.00 4.24 0.00 2.02 2.02 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 60 D 7.95 4.61 0.00 2.66 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 141 I 7.88 3.66 2.02 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 1.50 1.05 0.79 0.00 0.00 142 H 8.30 4.05 0.00 3.22 3.24 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.47 3.99 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 0.00 144 K 8.27 3.76 0.00 1.94 1.88 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 145 N 8.03 4.27 0.00 2.70 2.71 0.00 0.00 6.89 7.34 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 0.00 146 I 8.07 3.67 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 1.51 0.76 0.96 0.00 0.00 147 L 8.13 4.01 0.00 1.89 1.69 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.87 3.92 0.00 2.00 1.96 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 149 I 7.92 3.67 1.98 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 1.38 0.70 0.89 0.00 0.00 150 K 8.54 3.83 0.00 1.84 2.00 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 151 D 8.09 4.26 0.00 2.92 2.83 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 0.00 0.00 0.00 0.00 152 R 8.21 3.85 0.00 1.87 1.98 0.00 3.11 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 153 L 8.05 3.91 0.00 1.91 1.66 0.90 0.46 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 0.00 154 N 8.32 4.36 0.00 2.90 2.88 0.00 0.00 7.08 7.56 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 0.00 155 K 8.17 3.96 0.00 1.92 1.84 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 156 V 8.13 3.60 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.73 0.00 0.00 157 L 8.03 4.02 0.00 1.92 1.77 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.24 3.95 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 0.00 159 H 8.07 4.05 0.00 3.12 3.51 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 H 8.11 4.38 0.00 3.25 3.48 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.48 4.89 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 1.39 0.00 0.00 162 G 8.01 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 0.00 0.00 0.00 163 Q 7.21 4.01 0.00 1.75 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 164 D 8.26 4.55 0.00 2.74 2.55 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 0.00 165 L 8.56 3.91 0.00 1.74 1.68 0.92 0.83 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 0.00 166 E 8.11 3.97 0.00 2.07 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 2.38 2.40 0.00 167 T 7.81 3.90 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 1.30 0.00 0.00 168 I 7.71 3.79 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 1.00 0.00 0.00 169 V 7.67 3.58 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 0.83 0.00 0.00 0.96 0.00 0.00 170 K 8.01 4.07 0.00 2.04 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.59 7.81 171 D 8.25 4.52 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 172 T 7.44 4.49 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 1.27 0.00 0.00 173 D 7.64 4.38 0.00 2.78 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 0.00 174 R 6.98 4.72 0.00 1.78 1.77 0.00 3.31 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 175 D 8.66 4.24 0.00 2.63 2.37 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 0.00 176 N 8.26 4.78 0.00 2.83 2.59 0.00 0.00 7.22 6.31 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 0.00 177 F 8.81 4.59 0.00 2.94 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 *180 A 8.49 4.42 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 0.00 181 D 7.91 4.48 0.00 2.90 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 0.00 182 E 8.17 3.99 0.00 2.04 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 2.42 2.39 0.00 183 A 7.95 4.04 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 0.00 184 K 8.43 4.10 0.00 1.86 1.98 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.28 7.81 185 A 7.99 4.06 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 0.00 186 Y 8.08 4.22 0.00 3.06 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 0.00 187 G 8.03 4.02 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 0.00 0.00 0.00 188 L 8.75 4.26 0.00 1.85 1.76 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.35 4.77 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 1.46 0.92 0.91 0.00 0.00 190 D 8.76 4.61 0.00 2.08 2.39 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 0.00 191 H 7.69 5.01 0.00 3.12 3.24 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.57 5.05 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 0.93 0.00 0.00 0.97 0.00 0.00 193 I 8.59 4.58 1.88 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 1.50 0.87 1.04 0.00 0.00 194 E 9.08 4.49 0.00 1.98 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 2.26 2.26 0.00 195 S 7.54 4.76 0.00 3.79 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 0.00 196 R 8.56 4.05 0.00 1.74 1.92 0.00 3.21 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 197 E 8.33 4.00 0.00 1.99 1.99 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 2.30 2.30 0.00 198 A 8.10 4.17 1.25 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 * Residues marked with a * may have inaccurate shift predictions.