NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0810 8.0393 120.4017 62.9459 33.6145 176.4609 8 S 4.3242 7.6965 115.0363 56.7384 65.0506 172.9531 9 W 4.2091 9.9360 134.8288 60.9535 30.7993 179.6927 10 I 3.4355 8.1179 119.0052 64.5425 36.4330 178.1544 11 S 4.1489 7.7570 112.1042 61.0360 62.3273 175.7229 12 W 4.1248 8.5876 131.4693 60.3292 30.4635 177.5427 13 F 2.4717 7.9557 120.7062 61.0369 38.4931 176.8248 14 C 4.0070 7.8474 115.2701 61.9011 28.0010 175.6024 15 G 3.6318 6.9653 105.8311 44.8527 0.0000 174.3327 16 L 3.8285 6.3983 121.3068 54.1860 42.1839 176.7442 17 R 4.0089 7.9966 120.6654 57.5678 30.3239 177.0971 18 G 3.9016 8.9197 111.6355 45.2036 0.0000 173.7940 19 N 5.1681 7.7419 116.5995 53.1872 38.7653 177.0255 20 E 4.1046 8.0692 120.6169 59.3361 29.6808 178.5225 21 F 5.0060 8.0196 116.1660 59.7908 39.3702 175.8130 22 F 4.6796 8.2067 118.8543 57.1633 39.4650 174.2039 23 C 5.1244 8.7809 116.3557 56.2766 32.4410 173.4464 24 E 4.4358 8.7572 120.4872 55.4674 29.3325 176.9481 25 V 2.8570 8.4415 125.2650 61.8540 32.3776 175.5784 26 D 4.4447 8.0256 126.9893 54.5554 41.4646 176.7531 27 E 3.9707 9.2676 125.0345 59.7160 29.4313 178.7112 28 D 4.6130 8.1805 119.6877 56.0904 39.0354 177.7845 29 Y 4.0707 7.8202 119.7864 60.7250 38.8947 177.9304 30 I 3.8709 7.7620 119.1347 64.3894 37.3360 178.0496 31 Q 4.3060 8.3279 119.0045 57.3868 28.4618 175.4647 32 D 4.6158 7.6739 119.6585 53.5159 41.8098 176.4892 33 K 3.9097 8.7681 128.1147 59.7431 32.2015 178.8066 34 F 4.2767 8.6462 120.7344 61.2974 38.9935 176.7942 35 N 4.1768 8.0807 115.1760 54.8333 38.5000 176.2751 36 L 4.5879 7.3796 118.6843 53.0576 41.9358 176.0144 37 T 3.8599 6.5978 109.8511 63.6305 69.0467 173.0554 38 G 4.0937 8.7869 114.7636 45.4108 0.0000 175.6556 39 L 4.0292 8.1376 120.0028 57.4680 41.6976 178.5996 40 N 3.1400 7.6817 114.0278 53.7894 36.6093 174.8154 41 E 4.5871 7.7022 115.8551 56.0976 29.9933 177.1141 42 Q 4.5633 8.3227 118.8128 55.9904 30.9667 176.1534 43 V 4.5481 7.5341 110.1701 58.4287 34.5219 173.6207 44 P 4.3659 0.0000 0.0000 63.8723 32.1064 175.3042 45 H 4.1229 8.5354 114.6240 56.9814 26.5495 176.4653 46 Y 4.0521 8.3671 121.6759 61.1905 38.3838 177.3209 47 R 3.7079 7.9982 118.6177 59.7117 30.3679 178.4455 48 Q 3.9143 7.9586 117.0044 58.6602 28.7769 178.6281 49 A 3.7537 8.1082 122.3264 54.9920 18.3842 179.5068 50 L 3.6079 7.5227 118.7212 57.8801 42.1091 178.9966 51 D 4.1744 7.6295 119.1551 57.3833 40.7713 178.2377 52 M 3.8211 7.8214 118.6958 58.6257 31.9219 178.3440 53 I 2.7164 6.8155 118.8015 63.4488 37.2483 177.4263 54 L 4.3385 7.2418 116.4046 53.3170 43.0840 176.2031 55 D 4.3407 7.5031 118.1759 55.2887 38.0562 172.5160 56 L 4.7577 7.7335 118.1905 51.8564 45.7029 176.6092 57 E 3.8439 8.8148 120.7080 56.1949 30.0145 176.6161 58 P 4.3926 0.0000 0.0000 62.5929 31.6806 176.9889 *68 Q 4.1396 8.4960 122.7235 56.4198 30.3642 177.7219 69 S 4.3258 7.9865 110.8766 60.7000 62.7857 175.1855 70 D 4.6341 8.0305 122.2932 56.8995 40.6281 179.0203 71 L 4.1185 7.9082 118.6999 57.6084 41.5432 179.3051 72 I 3.8784 7.9891 120.2798 64.0448 36.6335 178.1188 73 E 4.0801 8.0858 119.1071 59.4508 29.2568 179.2550 74 Q 4.1458 8.3297 117.8850 58.9885 28.8480 178.5589 75 A 4.0147 7.8981 121.0754 55.2421 18.3976 179.5667 76 A 3.7666 8.3097 119.4782 54.9893 18.4595 179.5003 77 E 3.8881 8.2555 117.9885 59.6498 29.8029 178.8229 78 M 4.1714 8.3682 119.9100 58.0587 32.3846 177.9205 79 L 3.9290 8.3350 120.9619 58.2607 42.1367 178.3097 80 Y 3.9524 8.3399 120.1094 60.2677 38.5975 178.1482 81 G 2.6115 7.3772 106.2896 47.5503 0.0000 175.5116 82 L 4.0810 7.6288 122.0960 57.5170 41.6462 179.8718 83 I 3.7364 7.6487 119.6221 64.4778 36.9724 177.8155 84 H 3.8911 8.0637 119.2483 59.0659 29.3730 176.9040 85 A 3.8754 7.8133 121.3645 55.3332 18.4502 179.6463 86 R 3.9883 7.7558 116.2429 59.5969 30.2425 178.3832 87 Y 3.6163 8.3845 120.4495 60.7276 38.6618 178.2217 88 I 3.5946 7.5629 108.4522 61.3683 37.1990 176.1757 89 L 4.5318 7.8703 121.7289 55.6853 43.0350 177.6790 90 T 4.2246 7.4330 110.0512 61.0326 71.1546 175.2439 91 N 4.1942 8.7325 120.0223 56.6048 38.6024 177.7239 92 R 3.9575 7.8213 119.7183 59.0866 30.2976 178.4638 93 G 2.7898 7.2479 105.4041 47.6969 0.0000 175.4863 94 I 3.7227 7.8000 122.9834 63.9668 36.9688 178.2921 95 A 3.9559 7.7370 121.0297 55.3134 18.3554 179.7591 96 Q 3.9909 7.8802 116.2146 59.4583 28.8314 178.9432 97 M 4.3194 8.3208 119.8792 58.3678 32.0273 178.5084 98 L 4.0571 8.3748 120.9347 57.9318 41.8493 178.7026 99 E 3.9221 7.7126 118.4591 59.3239 30.0189 178.4679 100 K 3.9618 8.0382 118.0842 59.5640 32.1038 178.5132 101 Y 4.4485 8.8546 120.0162 61.2031 38.5517 178.5114 102 Q 4.0219 8.1346 116.8892 58.2216 28.8600 177.7230 103 Q 4.4046 7.8838 117.1531 54.9260 29.4945 175.9441 104 G 4.1449 7.8221 108.0696 46.4164 0.0000 175.9292 105 D 4.1964 7.9117 121.3476 56.2726 40.7905 177.4135 106 F 4.2524 7.4710 115.1885 56.8762 39.8085 175.4964 107 G 3.7302 7.5656 106.7443 44.8894 0.0000 171.8723 108 Y 5.0548 7.9087 114.6064 55.4622 40.9270 175.2729 109 C 4.1082 8.7999 123.8874 59.0234 31.9342 172.4515 110 P 4.2998 0.0000 0.0000 64.7262 31.7569 177.0473 111 R 3.8836 7.5775 119.2703 56.2158 30.1561 177.4862 112 V 3.3973 8.3547 122.4194 66.0865 31.5600 176.9119 113 Y 4.5901 7.3853 114.1730 59.2221 38.4801 175.7686 114 C 4.2456 8.0786 117.6472 59.9378 29.1890 172.8218 115 E 3.7899 8.2909 118.1407 58.3266 27.0142 174.3126 116 N 4.1743 7.8360 109.1430 54.2066 37.0060 175.4122 117 Q 4.3448 7.6575 118.2443 55.2518 30.3434 173.9521 118 P 4.7388 0.0000 0.0000 63.4055 32.1317 175.4853 119 M 4.9600 8.5831 121.5601 53.9925 35.0009 174.9174 120 L 4.5978 8.5392 119.3592 52.1239 45.0543 174.9765 121 P 4.4488 0.0000 0.0000 63.0485 32.3792 175.0132 122 I 4.4995 8.3789 119.6306 60.1505 41.9399 173.2193 123 G 4.4945 8.9349 113.8295 44.5686 0.0000 174.4624 124 L 4.3320 8.6381 121.7090 55.9874 42.6435 176.8233 125 S 4.6228 7.5681 111.8053 57.2168 65.2241 173.5849 126 D 4.8456 8.5524 122.9015 54.2172 41.7128 176.4857 127 I 4.2333 7.7689 122.4590 59.0810 37.9042 173.7941 128 P 4.5048 0.0000 0.0000 64.0929 31.6429 177.0909 129 G 4.0036 10.0839 110.6734 45.8587 0.0000 175.0041 130 E 4.0302 7.8531 118.5458 58.6417 29.9447 176.5785 131 A 4.7616 7.3251 118.2591 50.6840 23.0285 174.6897 132 M 4.8296 8.5158 119.0223 54.2811 33.4198 176.8632 133 V 3.7360 8.9232 121.3371 62.3482 32.2395 175.4084 134 K 4.7813 8.9674 121.8602 54.6383 36.5725 174.4408 135 L 5.0556 9.1152 120.5867 53.2529 44.8275 175.3047 136 Y 5.0382 9.1286 125.2303 56.0640 41.2136 173.7505 137 C 4.7740 8.3489 128.3745 57.5144 32.3130 172.6578 138 P 4.1291 0.0000 0.0000 64.7708 31.4524 177.6935 139 K 3.9979 7.8871 120.3199 59.2859 32.3045 177.1649 140 C 4.3626 7.9348 110.1436 57.8750 30.2551 172.8490 141 M 2.9084 7.3616 118.7641 56.7676 29.9677 175.4112 142 D 5.0174 7.7162 115.3283 52.4314 45.5580 173.9996 143 V 4.9300 7.9564 120.2585 61.2756 33.3871 174.1528 144 Y 4.7847 9.3984 125.1329 56.4170 41.8191 174.5832 145 T 4.7375 8.4412 117.6223 61.6702 69.8689 173.4465 146 P 4.4256 0.0000 0.0000 62.7046 32.0183 176.6143 147 K 4.1126 8.8740 122.0818 59.6348 33.0656 177.4082 148 S 4.4177 7.9740 114.7703 56.9755 63.1999 174.6253 149 S 3.7207 8.5087 121.8671 59.9562 63.4800 176.1077 150 R 3.9148 7.7068 118.0513 58.5934 29.2618 177.4831 151 H 4.7307 7.8004 114.8407 56.0528 29.0178 175.1787 152 H 4.8910 7.9297 116.1634 56.5411 28.2025 175.3479 153 H 4.8607 7.8989 112.6680 55.4671 30.4253 173.2442 154 T 4.5618 7.8271 118.1037 61.9632 68.9105 173.7910 155 D 4.5330 8.8252 127.1311 54.1042 41.8129 177.3463 156 G 3.7738 8.9322 112.9391 47.2433 0.0000 175.6431 157 A 4.3157 8.6121 124.6040 54.2298 18.1867 178.2199 158 Y 4.7968 7.6306 113.9997 59.0465 37.8296 176.6523 159 F 4.2940 8.2456 117.5748 55.5746 41.6034 175.9333 160 G 4.1486 7.7734 108.4645 45.1930 0.0000 174.3952 161 T 4.3141 8.1353 108.2031 62.0804 69.5188 176.4898 162 G 3.9690 7.8044 107.6272 44.2682 0.0000 174.5665 163 F 4.1583 8.0569 123.4160 60.9259 39.3996 174.9621 164 P 3.3893 0.0000 0.0000 65.9098 31.0218 178.3409 165 H 4.3431 7.7544 114.2481 58.8449 28.6946 177.5924 166 M 3.9455 7.8073 120.6204 58.1735 31.8086 178.4076 167 L 3.6327 7.3851 120.5072 58.2350 41.7665 179.1271 168 F 4.3473 7.4711 116.7818 59.9700 38.5449 177.5566 169 M 4.0424 7.6288 117.7814 58.8073 32.2467 178.2775 170 V 3.7245 7.6062 116.4680 64.8691 33.0066 175.4967 171 H 5.8648 8.0275 114.4005 52.4976 29.4138 172.3721 172 P 4.5372 0.0000 0.0000 64.8485 32.1315 179.1696 173 E 4.0812 8.4485 115.3823 58.9492 29.5034 177.6360 174 Y 4.4634 8.4909 115.7903 58.0323 38.5067 175.7818 175 R 3.6815 8.0456 121.9782 55.7690 30.5831 174.3543 176 P 4.3708 0.0000 0.0000 63.6234 32.4266 176.7290 177 K 3.9052 8.1800 110.9162 57.0298 28.4054 174.3597 178 R 4.0635 7.7043 120.8773 55.7605 29.2256 177.0548 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 8.04 4.08 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 1.02 0.00 0.00 0.95 0.00 0.00 8 S 7.70 4.32 0.00 4.36 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 9 W 9.94 4.21 0.00 3.65 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 10 I 8.12 3.44 1.97 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 1.65 0.90 0.97 0.00 0.00 11 S 7.76 4.15 0.00 3.93 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 12 W 8.59 4.12 0.00 3.28 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 13 F 7.96 2.47 0.00 1.51 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 0.00 0.00 0.00 14 C 7.85 4.01 0.00 2.91 3.01 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 15 G 6.97 3.63 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 0.00 0.00 0.00 16 L 6.40 3.83 0.00 1.06 1.16 -0.03 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.00 4.01 0.00 1.67 1.75 0.00 3.10 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 18 G 8.92 3.90 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 0.00 0.00 0.00 19 N 7.74 5.17 0.00 2.48 2.55 0.00 0.00 6.83 7.69 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 20 E 8.07 4.10 0.00 1.91 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 2.30 2.35 0.00 21 F 8.02 5.01 0.00 2.95 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 22 F 8.21 4.68 0.00 3.39 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 23 C 8.78 5.12 0.00 3.22 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 24 E 8.76 4.44 0.00 2.08 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 2.36 2.38 0.00 25 V 8.44 2.86 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 -0.26 0.00 0.00 0.54 0.00 0.00 26 D 8.03 4.44 0.00 2.92 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 27 E 9.27 3.97 0.00 2.07 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 2.40 2.42 0.00 28 D 8.18 4.61 0.00 2.97 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 29 Y 7.82 4.07 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 30 I 7.76 3.87 2.04 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 1.71 0.88 0.88 0.00 0.00 31 Q 8.33 4.31 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 32 D 7.67 4.62 0.00 2.66 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 33 K 8.77 3.91 0.00 1.88 1.90 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.53 7.81 34 F 8.65 4.28 0.00 3.06 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 35 N 8.08 4.18 0.00 2.39 2.04 0.00 0.00 6.94 8.01 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 36 L 7.38 4.59 0.00 1.73 1.72 0.96 0.30 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 37 T 6.60 3.86 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 1.23 0.00 0.00 38 G 8.79 4.09 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 0.00 0.00 0.00 39 L 8.14 4.03 0.00 1.83 1.77 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.68 3.14 0.00 1.65 1.42 0.00 0.00 5.80 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 41 E 7.70 4.59 0.00 2.15 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 2.27 2.30 0.00 42 Q 8.32 4.56 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 43 V 7.53 4.55 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 0.84 0.00 0.00 1.12 0.00 0.00 44 P 0.00 4.37 0.00 1.93 1.98 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 45 H 8.54 4.12 0.00 3.37 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.37 4.05 0.00 3.20 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 47 R 8.00 3.71 0.00 1.96 1.90 0.00 3.22 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 48 Q 7.96 3.91 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 49 A 8.11 3.75 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 50 L 7.52 3.61 0.00 1.02 1.35 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.63 4.17 0.00 2.88 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.82 3.82 0.00 1.74 1.89 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.98 0.00 53 I 6.82 2.72 1.65 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.01 0.85 0.00 0.00 54 L 7.24 4.34 0.00 1.49 1.64 0.85 1.47 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 55 D 7.50 4.34 0.00 2.83 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 56 L 7.73 4.76 0.00 1.66 1.48 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.81 3.84 0.00 1.87 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 0.00 2.28 2.36 0.00 58 P 0.00 4.39 0.00 2.17 1.98 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 *68 Q 8.50 4.14 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.03 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 69 S 7.99 4.33 0.00 3.91 3.81 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 70 D 8.03 4.63 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 71 L 7.91 4.12 0.00 1.68 1.76 1.00 0.81 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 72 I 7.99 3.88 2.01 0.00 0.00 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 1.40 0.70 0.84 0.00 0.00 73 E 8.09 4.08 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 74 Q 8.33 4.15 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 75 A 7.90 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 76 A 8.31 3.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.89 0.00 2.47 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 78 M 8.37 4.17 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.52 0.00 79 L 8.34 3.93 0.00 1.75 1.72 1.03 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 8.34 3.95 0.00 2.92 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.38 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 0.00 0.00 0.00 82 L 7.63 4.08 0.00 1.83 1.77 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.65 3.74 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.57 4.62 0.00 3.79 3.63 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 0.00 126 D 8.55 4.85 0.00 2.71 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 0.00 127 I 7.77 4.23 1.88 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 1.31 1.14 0.92 0.00 0.00 128 P 0.00 4.50 0.00 2.10 2.08 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 129 G 10.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.85 4.03 0.00 2.07 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 2.43 2.40 0.00 131 A 7.33 4.76 1.18 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 0.00 0.00 132 M 8.52 4.83 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.47 0.00 133 V 8.92 3.74 1.98 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 0.79 0.00 0.00 0.35 0.00 0.00 134 K 8.97 4.78 0.00 1.64 1.89 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.51 7.81 135 L 9.12 5.06 0.00 1.58 1.51 1.02 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 9.13 5.04 0.00 3.01 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 0.00 137 C 8.35 4.77 0.00 2.98 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 0.00 138 P 0.00 4.13 0.00 1.95 2.31 0.00 3.92 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 2.07 2.32 0.00 139 K 7.89 4.00 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.42 7.81 140 C 7.93 4.36 0.00 3.17 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 0.00 141 M 7.36 2.91 0.00 2.32 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 2.69 2.50 0.00 142 D 7.72 5.02 0.00 2.69 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 0.00 0.00 0.00 0.00 143 V 7.96 4.93 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 0.86 0.00 0.00 1.04 0.00 0.00 144 Y 9.40 4.78 0.00 2.97 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 0.00 145 T 8.44 4.74 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 146 P 0.00 4.43 0.00 2.23 2.28 0.00 3.82 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 147 K 8.87 4.11 0.00 1.91 2.00 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.49 7.81 148 S 7.97 4.42 0.00 3.88 3.77 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 0.00 149 S 8.51 3.72 0.00 4.04 4.09 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 0.00 150 R 7.71 3.91 0.00 1.82 2.06 0.00 2.60 0.00 0.00 2.99 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.09 0.00 151 H 7.80 4.73 0.00 3.25 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 H 7.93 4.89 0.00 3.17 3.19 0.00 5.61 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 0.00 153 H 7.90 4.86 0.00 3.15 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.83 4.56 4.35 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 0.00 0.00 0.00 1.61 0.00 0.00 155 D 8.83 4.53 0.00 2.42 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 0.00 156 G 8.93 3.77 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 0.00 0.00 0.00 157 A 8.61 4.32 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 0.00 158 Y 7.63 4.80 0.00 3.03 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 0.00 159 F 8.25 4.29 0.00 3.04 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 0.00 160 G 7.77 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 0.00 161 T 8.14 4.31 4.20 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 1.36 0.00 0.00 162 G 7.80 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 0.00 163 F 8.06 4.16 0.00 3.21 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 0.00 164 P 0.00 3.39 0.00 1.59 1.82 0.00 3.44 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.19 0.00 165 H 7.75 4.34 0.00 3.05 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 M 7.81 3.95 0.00 1.95 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 167 L 7.39 3.63 0.00 0.81 0.79 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 168 F 7.47 4.35 0.00 3.06 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 0.00 169 M 7.63 4.04 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 170 V 7.61 3.72 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 0.67 0.00 0.00 0.87 0.00 0.00 171 H 8.03 5.86 0.00 3.22 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 P 0.00 4.54 0.00 2.23 2.18 0.00 3.94 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 173 E 8.45 4.08 0.00 2.04 2.24 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 2.65 2.40 0.00 174 Y 8.49 4.46 0.00 3.31 3.47 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 0.00 175 R 8.05 3.68 0.00 1.92 1.81 0.00 3.19 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.15 0.00 176 P 0.00 4.37 0.00 2.22 2.21 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 177 K 8.18 3.91 0.00 1.81 2.04 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.31 7.81 178 R 7.70 4.06 0.00 1.92 1.90 0.00 3.38 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.