NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5268 8.1749 117.3768 63.8144 70.2136 172.6907 3 N 4.7875 9.2122 123.3990 54.3955 40.4508 173.1308 4 I 5.0228 9.4004 120.4680 59.4347 41.4192 174.0185 5 I 4.9099 8.8770 127.3059 59.4503 40.6181 174.1176 6 K 4.9951 9.0032 128.9973 54.7220 34.6492 174.6734 7 I 5.0620 8.8789 128.2931 59.7179 39.6131 174.3896 8 R 5.3278 9.4137 127.4787 54.5182 32.8565 174.2777 9 A 5.1604 9.3934 127.5355 50.2719 22.5201 174.8653 10 S 5.0296 8.7604 115.7260 56.6396 66.6374 172.7164 11 V 4.6193 9.0131 127.1502 60.9337 33.7892 174.2270 12 F 5.2548 8.5860 122.1397 55.4805 42.1726 173.1764 13 I 4.4191 9.1470 121.5407 58.5540 38.4834 175.1034 14 P 5.1579 0.0000 0.0000 63.0232 31.0372 178.2667 *16 S 4.3371 8.3628 117.6488 59.1844 65.6005 173.9039 17 W 5.6476 7.8622 117.5268 55.3087 33.0644 174.9037 18 T 4.4995 9.3941 115.0402 61.2687 69.7325 173.7221 19 E 4.3384 8.7417 120.5735 55.6137 30.3581 176.7324 20 A 4.3895 8.4639 124.0373 52.4018 19.4627 177.0122 21 K 4.5611 8.6151 121.3642 54.7903 36.2861 173.3761 *23 D 4.1916 8.1452 118.3637 54.9455 42.1812 175.4749 *25 E 4.2461 8.8009 115.9461 55.8786 31.2606 176.9943 26 T 4.3278 8.1514 110.6496 60.9884 69.4155 174.7849 27 G 3.9810 8.3573 108.8576 44.9793 0.0000 173.5427 28 Q 4.8683 7.5250 117.4549 55.0454 30.0917 175.4071 29 V 4.5493 8.2064 120.6106 61.2186 34.6020 174.2137 30 I 5.0149 9.0619 128.0394 59.6568 40.7906 174.5551 31 Q 4.8472 8.5377 123.6778 54.3089 33.5014 173.8830 32 F 5.2810 9.1122 121.2451 55.6165 41.4856 175.0463 33 E 3.2579 9.1689 125.1192 56.5735 29.8459 177.2850 34 G 4.0146 7.9350 115.3993 45.9384 0.0000 172.2899 35 D 4.7376 9.0242 118.2756 52.3214 42.4344 176.6002 36 S 3.6954 7.8414 112.1656 58.1939 60.3679 170.5107 37 R 4.3333 7.3721 113.2154 55.7735 32.4365 174.0229 38 E 4.3372 8.1149 118.5293 54.3625 31.4696 175.8820 39 F 4.2501 8.2905 118.1101 58.8395 39.1854 175.0563 40 T 4.4372 8.1903 118.3296 60.4414 70.3008 171.6579 41 P 3.3525 0.0000 0.0000 64.1134 31.6326 176.0385 42 H 4.7056 7.3826 116.0361 55.9650 29.1990 175.4976 43 A 4.3439 7.5801 121.6593 51.8801 19.7600 178.2343 44 V 4.1984 7.4544 115.0137 63.7559 31.8055 175.3454 45 N 4.2765 9.0432 121.8092 54.2994 36.4601 175.1881 46 T 3.9397 7.1919 115.2692 65.3924 68.7148 175.1134 *48 R 4.2708 7.7173 123.8688 55.9977 31.9639 176.0076 49 S 4.7373 7.6329 111.7731 56.8510 67.4804 175.4972 50 R 4.0010 8.9441 124.0265 58.9550 30.8997 176.9980 51 V 5.0732 7.6582 117.3491 61.0449 35.4421 173.8244 52 E 5.3585 9.3296 124.1668 54.9250 33.4298 174.0289 53 Q 5.0025 9.3056 122.2792 54.8153 33.3396 173.1440 54 E 5.3626 9.6756 124.9564 54.8113 33.3095 174.6784 55 V 4.7059 8.7265 124.9830 61.3662 34.0038 174.6196 56 V 4.9272 9.3524 127.9232 61.0505 34.5927 174.1755 57 V 4.5384 8.7777 128.0036 59.9659 33.9156 174.2283 58 D 5.1229 8.7833 125.0348 52.3671 42.1568 176.3036 59 F 4.4991 9.3922 126.3817 60.3611 39.4844 177.0616 60 Y 4.3389 8.4517 120.9589 60.4444 38.7318 176.7629 61 K 3.8039 8.8008 117.3824 56.3150 33.1485 176.2874 62 Q 3.0119 7.6403 119.1507 56.1859 27.2553 172.2968 63 E 4.5913 7.2331 117.5038 54.8317 34.8764 175.5302 64 V 4.4694 8.1269 122.5586 61.2690 33.2752 174.7909 65 F 5.2981 9.2431 125.9404 55.9842 42.8839 174.1955 66 S 5.3119 8.6080 113.6238 57.4608 66.0079 172.6577 67 Y 4.9944 9.2848 122.2363 55.9596 42.0590 173.9095 68 A 4.7644 7.8010 126.3255 50.3599 22.4235 174.4206 69 N 4.9566 9.1623 119.3667 52.5206 43.1502 173.0269 70 T 5.0506 8.2536 111.6884 59.4452 71.8246 173.9181 71 G 3.9524 8.6342 110.6511 45.5317 0.0000 173.2277 72 I 4.1620 8.1629 121.7695 61.1801 38.0061 175.7725 73 T 4.4678 9.1056 125.3131 62.8440 70.1232 173.9349 74 T 5.0854 8.6667 123.0213 61.7932 71.5117 172.5049 75 E 4.4213 9.3668 128.6333 54.4564 31.8773 174.4244 76 K 4.7861 8.8442 128.2999 54.7199 34.9656 174.5424 77 V 4.5818 8.3554 128.2854 61.1968 34.0824 174.2080 78 I 4.6681 8.5587 129.7132 59.9622 38.7460 176.2071 79 S 4.7464 9.1110 124.0953 57.0654 63.7806 173.8176 80 P 4.2657 0.0000 0.0000 65.7003 31.1442 177.5716 81 D 4.5005 8.0207 114.5741 53.5657 39.2171 177.2146 82 G 3.9513 8.0654 108.8532 45.4848 0.0000 174.5820 83 S 4.2450 8.1646 115.1732 58.3975 63.6358 173.3858 84 V 4.8063 8.0386 115.4069 59.9602 33.9531 175.2269 85 N 4.8993 8.8038 120.9698 51.7661 42.3325 173.5349 86 K 5.0341 8.7617 123.5477 55.2650 33.8999 176.4269 87 R 4.9565 9.0585 122.6734 54.5902 34.0887 174.6070 88 T 5.2554 8.4555 110.6590 60.4737 72.3038 172.6695 89 G 4.2560 8.6825 108.8592 45.4953 0.0000 171.5855 90 K 5.0046 8.3479 120.0561 54.0845 34.7562 175.9186 91 A 4.1107 8.7778 130.2870 51.8369 19.0669 176.8994 92 S 4.1670 8.4940 115.8312 58.9888 63.0983 174.2967 93 T 4.3351 8.3094 115.3927 61.4536 69.2130 175.9420 94 E 3.9333 7.8987 123.6781 58.9685 29.7183 177.0398 95 N 4.8517 8.0622 115.0951 52.8626 39.1510 173.5824 96 I 4.7096 7.6856 120.3178 59.9547 38.3962 175.4134 97 V 4.5940 8.8545 119.8098 59.8929 36.4394 174.6064 98 C 5.1290 8.6766 121.4346 58.1487 33.7117 172.7808 99 T 4.6792 8.8318 116.1981 59.7476 72.6114 172.9506 100 D 4.4201 8.4497 117.5525 55.5200 37.7990 174.5123 101 I 4.4323 7.8058 119.6742 61.1217 38.0418 176.7899 102 V 4.5837 9.1337 127.7005 60.7614 34.6173 174.1183 103 W 5.2498 9.0246 126.7762 55.1201 31.3624 174.7886 104 N 5.2550 8.8411 120.5282 51.0885 39.7832 174.8234 105 S 4.2447 8.9358 111.6379 61.0402 63.2301 175.2393 106 G 3.9083 8.6834 109.7911 44.8524 0.0000 174.3136 107 G 4.2810 6.5257 106.9339 45.9777 0.0000 171.0864 108 V 4.5160 7.8778 120.5407 59.8437 35.1544 175.0256 109 Q 5.0340 8.7423 122.1233 54.2888 32.1708 174.5993 110 F 5.3079 7.8156 116.8016 57.3513 42.0662 171.7033 111 K 5.6487 9.4262 119.9728 53.8126 35.5518 174.5688 *113 S 4.7643 8.5369 111.4037 58.6520 64.9135 172.6791 114 A 4.8887 8.1035 122.1204 50.4741 22.5624 175.3097 115 S 4.9916 8.4481 116.8729 56.9355 65.7565 173.1999 116 A 4.7035 8.6816 128.2613 50.3241 22.1477 175.2988 117 S 4.5612 8.7118 118.6431 57.6975 64.0365 173.8477 118 N 4.3481 8.5759 121.9805 52.9371 38.8430 173.9855 119 P 4.4296 0.0000 0.0000 64.4475 31.9693 176.9399 120 L 4.3802 8.2439 118.1827 55.0554 42.3300 175.8445 121 N 4.9842 7.7772 116.7386 51.6926 41.1016 173.8999 122 V 3.8337 8.2551 124.9873 65.3928 32.1964 176.9608 123 Y 4.4255 7.6873 113.2958 59.1199 37.6831 175.3984 124 A 4.7917 7.5436 122.3569 49.7618 21.5321 174.5988 125 P 4.7109 0.0000 0.0000 60.8052 33.1046 173.5670 126 P 5.0541 0.0000 0.0000 61.8370 33.3519 175.4694 127 V 4.5388 8.1594 120.5301 61.0999 33.5010 174.7064 128 D 5.6023 9.3924 123.4281 52.8776 45.0406 174.2294 129 Y 5.6192 8.7146 119.0809 55.7663 42.4277 174.1944 130 V 4.9112 8.9993 119.6340 60.2964 34.9158 173.8404 131 L 4.8970 8.8174 124.8755 52.9563 44.2966 174.9490 132 N 4.8220 8.8417 122.4372 51.9378 40.1092 174.5057 133 V 4.6545 8.1477 123.7832 59.6564 34.9744 174.1904 134 C 4.7882 9.1521 123.9117 57.6681 34.0603 172.3899 135 V 4.7980 8.5165 126.8513 61.1994 33.3833 174.3593 136 K 4.8555 9.0301 129.1646 54.4654 33.9475 177.0939 137 K 2.6242 8.4165 125.7363 59.2708 32.0662 177.5661 138 D 4.4769 7.7393 115.1521 53.2194 39.7025 176.6357 139 G 4.1297 8.2113 109.4555 45.5902 0.0000 174.6200 140 S 4.8975 8.7851 114.8379 57.3979 64.9999 173.4032 141 I 5.1549 8.0583 113.1994 59.2159 41.4621 173.3669 142 D 5.1539 9.2473 123.9136 52.5644 43.9747 174.5342 143 V 4.7295 8.6499 126.3425 60.9474 34.4784 173.9136 144 Q 4.5606 8.7315 126.7216 54.3292 30.5227 174.9669 145 G 3.7868 7.1886 110.9857 43.8875 0.0000 171.2547 146 E 5.3283 8.6519 119.0767 54.8180 34.2229 174.5091 147 H 5.4161 9.0494 118.0291 53.8439 32.3386 172.6082 148 D 4.9639 8.7743 119.2272 54.3689 41.9339 177.4350 149 G 4.0354 9.0356 109.0678 45.7751 0.0000 173.4072 150 F 4.8992 7.8594 119.4315 56.5217 43.6350 172.0471 151 P 3.0421 0.0000 0.0000 61.7323 29.9380 178.6615 152 C 4.8856 8.3352 125.8115 59.3627 30.0607 171.2978 153 F 5.1588 8.9318 119.8588 55.5850 42.4299 173.9424 154 E 4.9021 9.0670 120.6156 54.5148 33.4070 174.4614 155 F 5.3088 8.7275 120.0704 56.1186 43.0232 173.5186 156 Y 5.3310 9.3508 120.2165 56.1041 42.4396 174.1907 157 K 5.1884 9.5641 122.8275 54.9365 35.5422 174.9683 158 Q 4.7508 9.3226 127.8366 54.7054 32.2867 173.5523 159 V 4.6653 8.4616 126.2927 60.5233 34.3163 175.5578 160 D 3.9416 9.4740 122.0654 55.7233 38.9063 174.0763 161 F 3.8973 7.7374 111.2419 58.3820 36.9818 177.0353 162 G 3.8729 8.0278 111.2150 44.1667 0.0000 172.0080 163 P 4.3908 0.0000 0.0000 62.9082 31.7331 175.0981 164 F 4.8721 8.5735 117.5995 56.7418 39.9204 175.5037 165 E 4.8039 9.5611 123.7952 54.7666 32.0013 175.0614 166 K 4.4770 8.6578 123.8925 56.5744 32.7247 176.1549 167 I 4.2400 8.6905 129.0061 62.9384 38.1067 175.5444 168 Y 4.5628 7.1929 119.4897 56.8288 41.7118 172.5229 169 T 4.6922 7.4263 114.7898 59.9015 72.4228 172.3578 170 H 4.5976 9.1568 123.0194 54.3687 33.4023 171.5984 171 D 4.7464 8.2772 124.6912 52.0902 42.9035 175.8939 172 F 4.3753 9.0094 122.2235 58.9190 38.0937 177.5089 173 R 4.0184 6.7261 115.7414 57.6806 30.0879 177.6431 174 E 4.0430 8.4556 120.2226 59.8030 29.4493 178.5216 175 T 4.1563 7.9607 106.4345 61.3182 69.8109 173.9843 176 G 3.8634 7.5989 109.0781 47.4067 0.0000 171.7698 177 D 5.1444 8.2579 117.4873 52.7684 44.4277 175.3456 178 T 4.4432 7.8978 112.4876 60.5873 70.6209 173.8793 179 A 2.7513 7.6080 124.2126 52.8761 18.4824 179.2989 180 A 3.9644 7.4847 117.9709 54.5102 18.2487 179.5169 181 A 4.1212 7.6310 118.1364 54.4721 18.4873 179.1723 182 L 4.2927 7.4545 116.9414 56.4612 41.8410 177.7048 183 G 4.0416 7.6682 106.9365 44.8224 0.0000 176.1472 184 G 3.9672 8.0750 109.2064 46.8176 0.0000 174.5017 185 N 4.2155 9.2586 123.7660 54.2059 37.0794 174.9151 *187 D 4.6592 8.9851 123.5739 53.5266 42.4179 176.7123 188 Y 4.8128 8.1440 116.7745 56.4719 42.2128 174.3908 189 S 5.3503 8.6516 116.8664 56.8265 66.6720 172.6315 190 F 4.9355 8.1564 113.8773 56.1816 41.3101 173.1177 191 T 4.9036 8.4219 115.6878 61.7713 72.0113 173.3765 192 K 4.7351 9.0803 126.1139 54.8304 36.1446 174.8386 193 R 5.3138 8.4169 125.0639 54.4205 33.1827 175.7324 194 L 4.1487 8.4919 122.1132 56.4785 40.6655 174.6349 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 2 T 8.17 4.53 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 3 N 9.21 4.79 0.00 2.93 2.85 0.00 0.00 6.91 6.70 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 4 I 9.40 5.02 1.37 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 1.16 0.85 0.71 0.00 0.00 5 I 8.88 4.91 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.21 1.01 0.00 0.00 6 K 9.00 5.00 0.00 1.86 1.67 0.00 1.86 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.52 7.81 7 I 8.88 5.06 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.10 1.13 0.00 0.00 8 R 9.41 5.33 0.00 2.11 2.04 0.00 3.33 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 9 A 9.39 5.16 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 10 S 8.76 5.03 0.00 3.88 3.80 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 11 V 9.01 4.62 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.89 0.00 0.00 12 F 8.59 5.25 0.00 3.04 2.93 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 13 I 9.15 4.42 1.84 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 1.12 0.42 0.97 0.00 0.00 14 P 0.00 5.16 0.00 2.15 2.36 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 *16 S 8.36 4.34 0.00 3.92 3.76 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 17 W 7.86 5.65 0.00 3.23 3.12 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 18 T 9.39 4.50 4.45 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 1.48 0.00 0.00 19 E 8.74 4.34 0.00 2.05 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 2.43 2.41 0.00 20 A 8.46 4.39 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 21 K 8.62 4.56 0.00 1.69 1.76 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.59 7.81 *23 D 8.15 4.19 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 E 8.80 4.25 0.00 1.98 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 0.00 2.19 2.30 0.00 26 T 8.15 4.33 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 1.36 0.00 0.00 27 G 8.36 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.53 4.87 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 29 V 8.21 4.55 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 1.03 0.00 0.00 0.89 0.00 0.00 30 I 9.06 5.01 1.82 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 1.13 0.49 0.58 0.00 0.00 31 Q 8.54 4.85 0.00 1.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.22 0.00 32 F 9.11 5.28 0.00 3.26 3.11 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 0.00 0.00 0.00 0.00 33 E 9.17 3.26 0.00 1.70 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.00 34 G 7.94 4.01 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 0.00 0.00 0.00 35 D 9.02 4.74 0.00 2.79 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 36 S 7.84 3.70 0.00 3.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.37 4.33 0.00 1.86 1.83 0.00 2.21 0.00 0.00 2.70 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.48 0.00 38 E 8.11 4.34 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 39 F 8.29 4.25 0.00 3.10 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 40 T 8.19 4.44 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 1.03 0.00 0.00 41 P 0.00 3.35 0.00 0.49 0.49 0.00 3.49 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.36 0.00 42 H 7.38 4.71 0.00 3.06 3.29 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.58 4.34 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 44 V 7.45 4.20 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 1.26 0.00 0.00 1.00 0.00 0.00 45 N 9.04 4.28 0.00 2.91 2.90 0.00 0.00 7.00 7.60 0.00 0.00 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 T 7.19 3.94 4.55 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 1.19 0.00 0.00 *48 R 7.72 4.27 0.00 1.71 1.87 0.00 3.37 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 49 S 7.63 4.74 0.00 3.84 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 50 R 8.94 4.00 0.00 1.86 1.91 0.00 3.16 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 51 V 7.66 5.07 2.15 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 1.21 0.00 0.00 0.93 0.00 0.00 52 E 9.33 5.36 0.00 2.15 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 2.42 0.00 53 Q 9.31 5.00 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 54 E 9.68 5.36 0.00 2.16 1.98 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 0.00 0.00 80 P 0.00 4.27 0.00 2.02 2.10 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 81 D 8.02 4.50 0.00 2.75 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 82 G 8.07 3.95 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 0.00 0.00 0.00 83 S 8.16 4.25 0.00 4.19 3.99 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 84 V 8.04 4.81 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 0.66 0.00 0.00 0.90 0.00 0.00 85 N 8.80 4.90 0.00 2.65 2.66 0.00 0.00 6.86 7.12 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 86 K 8.76 5.03 0.00 1.68 1.80 0.00 1.78 0.00 0.00 1.91 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 87 R 9.06 4.96 0.00 1.73 1.81 0.00 3.09 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 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0.00 0.00 0.00 0.00 0.00 114 A 8.10 4.89 0.37 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 0.00 115 S 8.45 4.99 0.00 3.77 3.67 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 0.00 116 A 8.68 4.70 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.71 4.56 0.00 3.75 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 0.00 118 N 8.58 4.35 0.00 2.53 2.56 0.00 0.00 6.83 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 0.00 119 P 0.00 4.43 0.00 2.23 2.15 0.00 3.79 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 2.01 2.01 0.00 120 L 8.24 4.38 0.00 2.02 1.94 1.16 0.91 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 0.00 121 N 7.78 4.98 0.00 2.69 2.60 0.00 0.00 7.06 7.59 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 0.00 122 V 8.26 3.83 1.61 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 0.76 0.00 0.00 0.81 0.00 0.00 123 Y 7.69 4.43 0.00 3.06 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 0.00 124 A 7.54 4.79 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.71 0.00 2.07 2.02 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 126 P 0.00 5.05 0.00 2.08 2.03 0.00 3.77 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 1.95 1.96 0.00 127 V 8.16 4.54 2.15 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 0.71 0.00 0.00 1.16 0.00 0.00 128 D 9.39 5.60 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.71 5.62 0.00 3.34 3.34 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 0.00 130 V 9.00 4.91 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 0.74 0.00 0.00 0.92 0.00 0.00 131 L 8.82 4.90 0.00 1.62 1.45 0.58 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.84 4.82 0.00 2.56 2.58 0.00 0.00 6.13 8.23 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 0.00 133 V 8.15 4.65 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 0.37 0.00 0.00 0.58 0.00 0.00 134 C 9.15 4.79 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.52 4.80 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 1.20 0.00 0.00 1.05 0.00 0.00 136 K 9.03 4.86 0.00 1.99 1.60 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.40 7.81 137 K 8.42 2.62 0.00 1.75 1.65 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.23 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.19 0.74 7.81 138 D 7.74 4.48 0.00 2.72 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 0.00 139 G 8.21 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 0.00 0.00 0.00 0.00 140 S 8.79 4.90 0.00 3.92 4.01 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 0.00 141 I 8.06 5.15 1.88 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 1.27 0.73 0.98 0.00 0.00 142 D 9.25 5.15 0.00 2.61 2.45 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 0.00 143 V 8.65 4.73 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 0.90 0.00 0.00 144 Q 8.73 4.56 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.43 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 145 G 7.19 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.65 5.33 0.00 1.87 1.75 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 2.09 2.10 0.00 147 H 9.05 5.42 0.00 2.13 3.16 0.00 5.47 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.77 4.96 0.00 2.99 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 9.04 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 0.00 150 F 7.86 4.90 0.00 2.98 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 0.00 151 P 0.00 3.04 0.00 1.52 0.49 0.00 3.02 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 152 C 8.34 4.89 0.00 1.26 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 0.00 0.00 0.00 153 F 8.93 5.16 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 9.07 4.90 0.00 1.76 2.34 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 2.55 2.36 0.00 155 F 8.73 5.31 0.00 2.88 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 0.00 156 Y 9.35 5.33 0.00 2.91 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 0.00 157 K 9.56 5.19 0.00 1.89 1.76 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 158 Q 9.32 4.75 0.00 1.69 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 159 V 8.46 4.67 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 0.85 0.00 0.00 0.93 0.00 0.00 160 D 9.47 3.94 0.00 2.70 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 0.00 161 F 7.74 3.90 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.03 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 0.00 0.00 0.00 163 P 0.00 4.39 0.00 2.24 2.12 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 164 F 8.57 4.87 0.00 2.88 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 0.00 165 E 9.56 4.80 0.00 1.99 1.95 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 2.33 2.32 0.00 166 K 8.66 4.48 0.00 1.85 1.71 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.12 7.81 167 I 8.69 4.24 2.04 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 1.20 0.81 0.99 0.00 0.00 168 Y 7.19 4.56 0.00 2.57 2.21 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 0.00 169 T 7.43 4.69 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 0.63 0.00 0.00 170 H 9.16 4.60 0.00 3.12 3.11 0.00 5.72 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 0.00 171 D 8.28 4.75 0.00 2.98 2.45 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 0.00 172 F 9.01 4.38 0.00 3.51 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 6.73 4.02 0.00 1.75 1.68 0.00 2.77 0.00 0.00 2.53 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.36 0.00 174 E 8.46 4.04 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 175 T 7.96 4.16 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 176 G 7.60 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 0.00 177 D 8.26 5.14 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 7.90 4.44 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 179 A 7.61 2.75 0.78 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 0.00 0.00 180 A 7.48 3.96 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 0.00 181 A 7.63 4.12 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.45 4.29 0.00 1.99 1.81 1.21 0.94 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 0.00 183 G 7.67 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 0.00 184 G 8.08 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 0.00 0.00 0.00 185 N 9.26 4.22 0.00 2.72 2.60 0.00 0.00 6.73 8.06 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 *187 D 8.99 4.66 0.00 2.67 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 8.14 4.81 0.00 2.67 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 0.00 189 S 8.65 5.35 0.00 3.67 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 0.00 190 F 8.16 4.94 0.00 2.83 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 0.00 191 T 8.42 4.90 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 192 K 9.08 4.74 0.00 1.93 1.65 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.88 7.81 193 R 8.42 5.31 0.00 1.70 1.79 0.00 3.29 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 194 L 8.49 4.15 0.00 1.79 1.72 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.