NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6270 8.3049 120.6163 55.3669 33.7283 174.6042 2 I 4.0523 8.9870 127.3527 60.1949 38.6688 169.7259 3 V 4.4083 9.8532 129.1622 61.9590 33.0937 174.5971 4 S 5.5536 9.2481 124.4152 57.1452 66.5410 173.1715 5 M 5.4700 9.2291 120.7403 53.7612 35.8277 174.5985 6 I 5.2681 8.8739 121.3325 59.6385 41.3060 174.1483 7 A 4.8379 8.7803 127.9273 51.0434 23.1444 174.6346 8 A 5.1410 8.7252 121.3183 49.9612 21.3024 176.0006 9 L 5.0415 8.7654 122.6775 54.0146 44.1788 176.7972 10 A 4.5498 8.4088 122.9288 49.8787 21.5048 176.4374 11 N 4.3273 8.7309 114.2053 55.1666 39.0020 175.1437 12 N 4.1654 9.5294 115.6539 54.4338 36.4295 175.0243 13 R 4.0825 8.0761 113.9615 56.9215 28.4738 176.2204 14 V 4.0107 7.7799 119.6249 63.1018 31.7409 176.4442 15 I 4.7672 8.5883 119.5551 60.6847 39.3771 175.3080 16 G 3.9777 7.3364 108.6184 44.7069 0.0000 171.7045 17 L 4.7074 8.8125 120.2831 55.7465 45.2769 175.0604 18 D 4.4476 9.9834 126.4667 55.5848 38.8964 173.7202 19 N 4.2012 8.4594 111.5205 53.7117 36.3311 174.1262 20 K 4.4808 7.8372 116.9434 54.7705 35.5414 175.1170 21 M 3.6639 7.9146 120.1424 54.0911 32.5611 176.1458 22 P 4.3696 0.0000 0.0000 59.9795 30.4351 174.8554 23 W 4.6382 6.3422 113.6137 56.9077 30.7638 173.8200 24 H 4.9211 8.7513 116.7203 54.4407 30.2622 175.8088 25 L 4.6901 8.1205 123.0048 52.4796 43.5529 172.9919 26 P 4.2378 0.0000 0.0000 65.3815 31.4803 178.3359 27 A 3.9576 8.6221 121.4909 54.8116 18.0611 179.1570 28 E 3.8677 8.1642 116.4517 59.6656 29.3736 179.5462 29 L 4.0638 7.9293 119.8982 57.5436 41.6284 179.2544 30 Q 4.0399 8.0069 117.6339 58.9014 28.7024 178.6806 31 L 3.8623 7.9540 119.9353 57.6213 41.7426 179.2242 32 F 4.0194 8.5103 120.8456 61.2348 39.2887 177.0059 33 K 3.8701 8.6535 119.5544 59.6317 31.7992 178.6876 34 R 3.7952 8.0214 117.6300 59.0546 30.0520 177.6924 35 A 4.2671 7.6160 119.0865 53.1668 19.2427 177.7743 36 T 4.0652 7.2000 106.2259 61.3689 70.6210 174.3915 37 L 3.9816 7.5980 124.5605 56.9231 42.1326 177.0141 38 G 3.9352 9.0601 113.8421 45.3304 0.0000 172.6582 39 K 4.8443 7.7722 118.5577 53.1454 36.2621 173.8128 40 P 4.9368 0.0000 0.0000 62.9202 32.6775 174.9981 41 I 5.0836 8.9443 116.8284 59.1091 40.6194 174.3980 42 V 5.0308 8.7827 124.7750 61.3866 34.3727 174.1170 43 M 5.2710 9.0369 124.0486 53.5423 35.1918 174.7776 44 G 4.0733 8.8233 107.9842 45.7566 0.0000 175.0223 45 R 4.0230 8.4780 117.3161 59.2357 29.2303 178.5543 46 N 4.3113 8.0232 117.2003 56.7477 39.0442 176.8568 47 T 3.8443 7.8108 116.6853 66.5139 68.6112 176.2891 48 F 4.2867 8.5159 122.7497 61.4172 39.2174 176.9565 49 E 3.7440 8.5482 117.5267 59.4803 29.2857 179.3156 50 S 4.1755 7.7819 114.2873 61.6509 62.9713 176.5124 51 I 3.8063 7.4155 121.6193 62.3069 36.8120 177.5007 52 G 3.6727 7.5748 106.1710 44.1058 0.0000 173.1927 53 R 4.6551 6.7277 117.9766 54.8335 30.5519 172.2870 54 P 4.7240 0.0000 0.0000 62.8175 32.3898 176.0357 55 L 4.5378 9.1842 122.4270 52.9997 42.7881 175.1119 56 P 4.4562 0.0000 0.0000 63.7351 32.0704 176.7733 57 G 3.9653 8.9360 108.5217 45.9365 0.0000 172.9238 58 R 5.0084 7.3322 115.9054 53.7724 34.2492 175.0648 59 L 4.2261 8.3770 123.9746 54.7450 43.2847 175.4830 60 N 5.0838 8.7700 125.0905 52.4885 40.1196 174.1711 61 I 4.8639 8.8578 125.7974 59.3871 40.4036 174.7699 62 V 4.6194 9.1702 128.4736 61.1126 33.7865 174.0891 63 L 4.9621 9.1084 130.9581 53.8900 43.2816 175.0804 64 S 4.5000 9.1045 123.7986 57.5185 65.8288 175.0451 65 R 4.4639 8.8969 126.2058 56.7341 29.6348 174.0612 66 Q 4.5737 7.8409 119.5562 55.0191 30.1731 180.3861 *68 D 4.6705 8.2171 119.6797 52.4323 40.4111 171.5683 69 Y 4.2155 8.2011 123.0067 57.7035 39.1125 176.5213 70 Q 4.5326 7.8703 129.4604 54.1132 28.7483 173.5920 71 P 4.2306 0.0000 0.0000 63.6499 32.1745 175.7863 72 E 4.1319 8.4004 120.4858 57.7411 29.9278 177.5404 73 G 4.0428 9.5221 110.0453 45.2165 0.0000 173.5185 74 V 4.5012 6.8014 111.3481 59.6970 35.9510 175.1093 75 T 4.3102 8.5830 120.4548 62.9144 69.7685 173.9346 76 V 4.9355 8.3422 125.8689 61.3313 33.9066 174.9064 77 V 4.6601 8.6296 118.8811 60.0681 35.9539 175.8046 78 A 4.6353 8.9905 123.8056 52.6833 19.9107 177.6339 79 T 4.7423 7.4124 105.3963 58.8007 73.3704 174.6674 80 L 4.0022 8.5405 124.6379 59.0637 42.0919 179.2799 81 E 3.9929 8.1970 117.6612 61.3060 29.5314 180.4739 82 D 4.5250 8.2160 119.5962 57.1875 40.9159 178.6205 83 A 3.9635 8.0118 121.2606 55.1246 18.0965 179.7682 84 V 3.5212 7.7603 115.9306 66.1922 32.0232 178.0318 85 V 3.7115 7.7477 117.6080 66.1164 31.1503 177.7886 86 A 4.0076 8.0857 119.1145 55.1376 18.2517 179.2079 87 A 4.0635 8.1027 118.3842 53.0212 18.8991 179.6312 88 G 3.6363 8.0705 105.4095 47.3667 0.0000 176.7234 89 D 4.6894 8.5680 119.0371 52.8503 39.5270 174.9378 90 V 4.5651 7.0167 113.4450 58.9707 35.8946 176.0062 91 E 4.1910 8.6227 122.1175 59.3023 30.6031 176.1025 92 E 5.3643 7.9070 117.8148 54.7374 32.8088 174.2562 93 L 4.8899 9.0524 126.1535 54.1847 44.1523 175.0517 94 M 4.9293 8.6553 120.7512 53.8030 34.3123 174.9829 95 I 4.6347 9.0163 126.5136 60.3077 38.6302 176.4432 96 I 4.9155 8.6130 120.3751 60.9348 38.5652 174.7115 97 G 2.8188 8.1072 108.8472 44.6877 0.0000 172.9959 98 G 4.1182 8.0102 105.2748 43.6221 0.0000 173.7846 99 A 4.2523 8.5909 121.0668 55.8818 18.4175 179.9775 100 T 3.8309 7.9120 113.4225 66.9363 68.4968 176.6283 101 I 3.6489 7.5714 120.8710 64.5713 37.2717 177.6070 102 Y 4.4348 7.8759 117.8029 61.5659 37.5152 178.8251 103 N 4.3658 8.1630 115.5722 56.6092 38.7583 177.2887 104 Q 4.1894 8.0914 118.1024 58.2019 29.1544 177.3560 105 C 4.5551 8.3116 116.4107 59.9170 28.9433 175.3082 106 L 4.0613 7.9101 122.6714 58.4572 41.4267 178.7334 107 A 3.8687 8.1494 117.9315 53.8705 18.5013 178.0889 108 A 4.4529 7.7896 117.1758 50.8552 19.7552 176.5822 109 A 4.5778 7.4196 121.8609 51.5589 19.7446 177.7029 110 D 4.7029 9.2036 123.8817 56.7336 42.2537 176.8944 111 R 5.4231 8.1568 115.5584 54.3958 35.0831 174.2189 112 L 5.0926 8.7643 121.9973 53.2322 44.9946 175.1381 113 Y 4.7132 9.6596 122.7217 56.6001 39.4664 174.4512 114 L 4.7621 8.3175 125.6078 52.9225 44.6319 175.9774 115 T 4.8623 8.6556 121.5606 62.4033 70.2400 173.6922 116 H 4.9376 9.2395 126.0311 54.9006 30.0344 174.6511 117 I 4.2941 8.6254 125.7529 59.8149 38.7128 175.5209 118 E 4.4770 8.9875 129.6200 55.2177 28.2421 174.1767 119 L 4.3127 7.8354 123.6125 54.1628 45.9791 173.1980 120 T 4.6229 8.6929 123.9307 62.4070 68.8729 173.6595 121 T 4.7816 8.0742 119.6673 59.8441 70.9975 172.8327 122 E 4.3809 8.6304 123.4138 56.2783 30.2414 176.5847 123 G 4.2127 8.3020 107.6595 44.9190 0.0000 171.9545 124 D 4.7780 8.9969 119.1775 52.7874 41.6237 175.5360 125 T 4.5984 6.6881 115.9122 61.5281 72.5993 172.7184 126 W 5.4520 8.8739 124.6950 54.4007 32.6141 175.1677 127 F 4.4139 9.2280 125.9714 57.7527 39.4609 173.4595 128 P 4.4402 0.0000 0.0000 62.6444 32.1032 176.9769 129 D 4.6916 8.3903 120.9374 53.9644 39.2128 176.1953 130 Y 4.5559 8.2493 122.5774 59.0486 38.7048 178.1790 131 E 4.2597 7.2776 117.8108 57.5747 29.4074 177.4705 132 Q 4.0019 7.7941 117.8448 57.4289 28.8867 175.1174 133 Y 4.9157 8.0285 115.2822 55.8795 41.2833 174.0463 134 N 5.2325 8.1142 117.3481 51.1520 40.1260 173.6869 135 W 5.5695 8.7080 119.4388 55.2540 33.8367 174.1794 136 Q 4.7674 9.5465 121.6580 54.0702 31.0323 174.5266 137 E 4.5097 8.8214 125.2243 56.2734 29.7256 176.2966 138 I 4.1696 8.8053 129.4807 64.1384 37.8982 176.0306 139 E 4.8906 7.8319 117.3637 55.7794 32.5759 173.7720 140 H 5.4405 8.3447 114.9183 54.3842 32.1306 172.2543 141 E 4.5543 9.4843 120.6990 54.8327 32.7231 174.4872 142 S 4.7397 8.5666 122.9874 58.1137 64.5013 173.1921 143 Y 4.5410 8.5833 120.4630 55.9321 41.1900 174.9634 144 A 4.7117 8.6147 125.1189 51.0757 19.7126 176.9968 145 A 4.6041 9.0561 123.0828 52.9345 19.4053 176.8413 146 D 4.6936 8.5106 117.6031 52.1611 42.4030 174.8349 147 D 4.4830 8.7582 117.4767 56.3499 39.4127 177.4466 148 K 4.1747 8.1396 117.4432 57.1598 32.8516 176.1825 149 N 4.8902 8.1692 116.8352 50.7383 38.8268 172.3332 150 P 4.5278 0.0000 0.0000 62.9111 31.5472 176.1310 151 H 5.0571 7.7570 113.8330 54.8887 32.8564 173.1204 152 N 4.9146 8.9100 119.1488 53.7527 39.9570 173.5665 153 Y 5.3916 8.3993 118.8216 55.8496 42.4376 173.6787 154 R 5.0675 9.1836 120.4534 54.7948 33.6014 173.5923 155 F 5.2055 9.6846 129.5139 57.4829 41.4591 174.2785 156 S 4.6368 7.9503 119.7217 56.2802 66.0383 172.0381 157 L 4.5662 8.4599 129.2992 53.3684 43.6683 174.7165 158 L 5.1523 8.5678 127.2008 52.9869 44.4068 175.1400 159 E 5.3042 9.3763 124.0143 54.1250 32.4236 175.0333 160 R 3.6684 9.1645 128.1192 55.9047 30.8051 176.2534 161 V 3.6910 7.9691 127.2376 63.0396 32.0832 176.0843 162 K 4.0794 8.3166 126.3080 56.9310 32.9980 175.7171 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 1 M 8.30 4.63 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 2 I 8.99 4.05 2.04 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 1.16 0.63 1.00 0.00 0.00 3 V 9.85 4.41 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.97 0.00 0.00 4 S 9.25 5.55 0.00 3.95 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 5 M 9.23 5.47 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 6 I 8.87 5.27 1.76 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 1.40 1.25 1.04 0.00 0.00 7 A 8.78 4.84 0.77 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 8 A 8.73 5.14 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 9 L 8.77 5.04 0.00 1.69 1.87 0.66 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 10 A 8.41 4.55 1.27 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 0.00 0.00 0.00 11 N 8.73 4.33 0.00 2.89 2.81 0.00 0.00 7.48 7.78 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 12 N 9.53 4.17 0.00 3.01 3.02 0.00 0.00 7.01 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 13 R 8.08 4.08 0.00 2.26 2.36 0.00 3.24 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 1.78 1.69 0.00 14 V 7.78 4.01 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 1.02 0.00 0.00 1.16 0.00 0.00 15 I 8.59 4.77 2.08 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.96 1.27 0.00 0.00 16 G 7.34 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 17 L 8.81 4.71 0.00 1.53 1.33 0.82 1.09 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 18 D 9.98 4.45 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.20 0.00 2.80 2.83 0.00 0.00 6.92 7.61 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 20 K 7.84 4.48 0.00 1.63 1.71 0.00 1.09 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.12 7.81 21 M 7.91 3.66 0.00 0.51 1.10 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 22 P 0.00 4.37 0.00 2.18 1.97 0.00 2.94 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 23 W 6.34 4.64 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 24 H 8.75 4.92 0.00 3.23 3.31 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.12 4.69 0.00 1.73 1.51 0.83 0.24 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 26 P 0.00 4.24 0.00 2.28 2.30 0.00 3.92 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 2.23 2.10 0.00 27 A 8.62 3.96 1.09 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 28 E 8.16 3.87 0.00 2.22 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 0.00 2.56 2.37 0.00 29 L 7.93 4.06 0.00 1.79 1.76 0.88 0.58 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 30 Q 8.01 4.04 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 31 L 7.95 3.86 0.00 1.89 1.68 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.51 4.02 0.00 3.23 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 33 K 8.65 3.87 0.00 1.99 1.96 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 34 R 8.02 3.80 0.00 1.83 2.01 0.00 3.33 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 35 A 7.62 4.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.20 4.07 3.89 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 0.35 0.00 0.00 37 L 7.60 3.98 0.00 1.75 1.61 0.91 1.06 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 38 G 9.06 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 39 K 7.77 4.84 0.00 1.72 1.62 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.45 7.81 40 P 0.00 4.94 0.00 2.19 2.17 0.00 3.50 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 41 I 8.94 5.08 1.95 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 1.15 1.36 0.85 0.00 0.00 42 V 8.78 5.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.94 0.00 0.00 43 M 9.04 5.27 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 44 G 8.82 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.48 4.02 0.00 1.72 1.51 0.00 2.84 0.00 0.00 2.82 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 46 N 8.02 4.31 0.00 2.83 2.81 0.00 0.00 7.22 7.22 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 47 T 7.81 3.84 4.37 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 1.20 0.00 0.00 48 F 8.52 4.29 0.00 3.13 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.55 3.74 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 2.39 2.50 0.00 50 S 7.78 4.18 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.42 3.81 1.79 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 1.33 0.37 0.95 0.00 0.00 52 G 7.57 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 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 71 P 0.00 4.23 0.00 2.25 2.08 0.00 3.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.44 0.00 72 E 8.40 4.13 0.00 1.97 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 0.00 2.30 2.28 0.00 73 G 9.52 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 74 V 6.80 4.50 1.77 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 0.26 0.00 0.00 0.58 0.00 0.00 75 T 8.58 4.31 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 76 V 8.34 4.94 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 0.90 0.00 0.00 0.99 0.00 0.00 77 V 8.63 4.66 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 0.63 0.00 0.00 0.98 0.00 0.00 78 A 8.99 4.64 1.27 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 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 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.07 3.64 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 0.00 0.00 0.00 89 D 8.57 4.69 0.00 2.62 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 90 V 7.02 4.57 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 0.84 0.00 0.00 0.99 0.00 0.00 91 E 8.62 4.19 0.00 2.11 1.96 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 2.41 2.40 0.00 92 E 7.91 5.36 0.00 2.03 1.78 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 2.23 2.51 0.00 93 L 9.05 4.89 0.00 1.76 1.72 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 94 M 8.66 4.93 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 95 I 9.02 4.63 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.81 0.99 0.00 0.00 96 I 8.61 4.92 2.22 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 1.12 0.00 0.00 97 G 8.11 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.59 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.91 3.83 4.21 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 1.20 0.00 0.00 101 I 7.57 3.65 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 0.88 0.00 0.00 102 Y 7.88 4.43 0.00 3.08 2.56 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 0.00 103 N 8.16 4.37 0.00 2.89 2.92 0.00 0.00 7.16 7.21 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 0.00 104 Q 8.09 4.19 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 105 C 8.31 4.56 0.00 3.11 3.03 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 0.00 106 L 7.91 4.06 0.00 2.03 1.85 1.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.15 3.87 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 0.00 108 A 7.79 4.45 1.31 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 0.00 0.00 109 A 7.42 4.58 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 0.00 110 D 9.20 4.70 0.00 2.87 2.79 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 0.00 111 R 8.16 5.42 0.00 1.93 1.81 0.00 3.42 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 112 L 8.76 5.09 0.00 0.92 1.08 -0.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 9.66 4.71 0.00 2.85 3.23 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 0.00 114 L 8.32 4.76 0.00 0.98 0.88 -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.66 4.86 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 1.26 0.00 0.00 116 H 9.24 4.94 0.00 3.00 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.63 4.29 1.20 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.40 0.47 0.00 0.00 118 E 8.99 4.48 0.00 1.98 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 2.33 2.26 0.00 119 L 7.84 4.31 0.00 1.62 1.26 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.69 4.62 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 121 T 8.07 4.78 4.34 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 1.38 0.00 0.00 122 E 8.63 4.38 0.00 2.01 1.89 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 2.36 2.33 0.00 123 G 8.30 4.21 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 0.00 124 D 9.00 4.78 0.00 2.62 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 0.00 125 T 6.69 4.60 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 1.22 0.00 0.00 126 W 8.87 5.45 0.00 3.39 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 0.00 127 F 9.23 4.41 0.00 3.05 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 0.00 128 P 0.00 4.44 0.00 2.02 1.95 0.00 2.20 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.19 0.00 129 D 8.39 4.69 0.00 2.73 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 0.00 130 Y 8.25 4.56 0.00 3.42 3.44 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 0.00 131 E 7.28 4.26 0.00 1.77 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 0.00 1.47 1.95 0.00 132 Q 7.79 4.00 0.00 1.65 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 133 Y 8.03 4.92 0.00 3.21 2.44 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 0.00 134 N 8.11 5.23 0.00 2.71 2.89 0.00 0.00 5.67 8.88 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 0.00 135 W 8.71 5.57 0.00 3.23 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 0.00 136 Q 9.55 4.77 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 137 E 8.82 4.51 0.00 2.01 1.89 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 2.36 2.43 0.00 138 I 8.81 4.17 1.84 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 1.29 0.65 0.91 0.00 0.00 139 E 7.83 4.89 0.00 2.03 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 2.34 2.45 0.00 140 H 8.34 5.44 0.00 3.19 3.51 0.00 5.47 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 0.00 141 E 9.48 4.55 0.00 1.98 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 0.00 1.47 1.85 0.00 142 S 8.57 4.74 0.00 3.66 3.64 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 0.00 143 Y 8.58 4.54 0.00 1.43 1.96 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 0.00 144 A 8.61 4.71 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 0.00 145 A 9.06 4.60 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 0.00 146 D 8.51 4.69 0.00 2.78 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 0.00 147 D 8.76 4.48 0.00 2.81 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 0.00 148 K 8.14 4.17 0.00 1.78 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.46 7.81 149 N 8.17 4.89 0.00 2.91 2.75 0.00 0.00 6.59 8.18 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 0.00 150 P 0.00 4.53 0.00 2.03 2.09 0.00 3.92 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 1.91 2.00 0.00 151 H 7.76 5.06 0.00 3.01 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.91 4.91 0.00 2.83 2.73 0.00 0.00 6.55 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.40 5.39 0.00 3.07 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 0.00 154 R 9.18 5.07 0.00 1.85 1.80 0.00 3.00 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 155 F 9.68 5.21 0.00 3.41 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 7.95 4.64 0.00 3.72 3.37 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 0.00 157 L 8.46 4.57 0.00 1.61 1.39 -0.01 0.51 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 0.00 158 L 8.57 5.15 0.00 1.17 1.58 0.45 0.46 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 0.00 159 E 9.38 5.30 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 160 R 9.16 3.67 0.00 1.59 1.66 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.24 0.00 161 V 7.97 3.69 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 0.75 0.00 0.00 0.88 0.00 0.00 162 K 8.32 4.08 0.00 1.67 1.57 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 1.30 7.81 * Residues marked with a * may have inaccurate shift predictions.