NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3138 8.3344 115.2812 57.9110 64.6605 173.2921 4 I 3.4579 7.4317 120.3166 59.3952 38.3642 174.7826 5 S 4.4766 9.1675 123.5158 57.6582 65.1215 173.7141 6 E 4.0430 8.5756 120.4867 59.3207 29.6280 179.5378 7 K 3.8456 7.6113 116.2057 57.4235 31.9388 178.2493 *9 V 3.9508 7.8810 118.5551 62.6070 33.3476 176.8853 10 E 3.9583 8.3013 119.6776 59.5147 29.3935 178.7652 11 A 4.0315 8.0220 120.5918 55.1919 18.4488 179.6441 12 L 4.0457 7.9173 117.0685 57.9617 41.6512 179.2839 13 N 4.5788 8.9528 116.9265 56.3536 38.3588 177.6936 14 R 4.0664 8.1434 119.6297 59.1282 30.1051 178.7856 15 Q 3.9944 8.2843 119.5248 58.9702 28.9610 178.2299 16 I 3.7737 8.4262 121.4030 64.3604 37.1363 177.4919 17 N 4.3411 8.3979 117.5686 57.0408 38.7272 176.4930 18 A 4.1437 8.4046 122.1105 55.4205 18.3458 179.4799 19 E 4.1045 8.7508 117.3863 59.6961 29.5223 179.6616 20 I 3.7554 8.1343 120.0232 64.4630 36.6884 177.9062 21 Y 4.0925 8.4603 120.6587 60.5735 38.5843 177.8092 22 S 3.7910 8.6601 116.4590 61.6060 62.9537 176.5233 23 A 4.2366 8.1797 123.2334 55.7393 18.1343 179.1550 24 Y 4.3190 8.5049 118.2915 60.5666 38.5504 177.9036 25 L 3.6366 7.6846 121.0525 58.3151 42.2234 178.3729 26 Y 4.4870 7.3410 115.3714 60.8462 38.0346 177.8157 27 L 3.9072 8.2693 121.7254 57.8820 41.8928 179.6493 28 S 3.9039 7.8449 110.9300 58.5209 62.2132 175.6217 *30 A 4.4738 7.9545 124.0168 51.8427 20.4693 179.8947 31 S 4.1448 7.9805 109.8952 61.4238 62.1551 175.7282 32 Y 4.1040 8.1393 122.3320 60.9232 38.5599 178.1967 33 F 3.7747 7.9744 118.0527 60.3498 39.0892 177.0459 34 D 4.3545 8.3128 118.2242 57.1644 40.8025 178.3155 35 S 4.2888 7.8121 113.9560 60.0389 63.0787 175.4311 36 I 4.3203 6.9019 115.3708 60.3362 37.8070 176.4458 37 G 3.8793 7.8272 107.1959 46.5601 0.0000 175.5532 38 L 4.5532 7.8336 121.7547 53.5490 40.5126 176.9081 39 K 4.2375 8.3252 123.8736 58.6415 32.4317 178.9945 40 G 4.0865 8.4443 107.6733 47.3681 0.0000 175.6664 41 F 3.7023 8.4898 118.9073 60.2675 38.9452 177.3163 42 S 4.4264 8.1791 111.3843 61.2220 62.3822 175.1694 43 N 4.5296 8.5487 120.2284 56.4438 38.5908 177.3365 44 W 4.2684 7.9401 126.1130 58.3262 30.5961 177.4856 *46 R 4.4031 7.9228 118.0886 55.8828 31.7107 178.0075 47 V 3.5669 8.0603 117.1773 65.9477 31.3765 177.8505 48 Q 3.6161 7.9528 119.2963 58.7948 28.8572 177.7797 49 W 4.4938 8.4267 128.9077 60.9208 30.4088 177.7336 50 Q 3.5608 8.0317 116.5863 58.7856 28.1970 178.3389 51 E 4.0099 7.9759 118.6316 59.4968 29.7460 178.8604 52 E 4.0876 8.5932 118.9117 59.1877 29.2851 180.0308 53 L 4.2152 7.3812 117.4414 55.1414 41.7074 178.0504 *55 H 4.8928 8.2091 117.5337 56.1604 30.5844 175.5599 56 A 4.1707 8.2084 117.5951 53.1680 17.5691 177.6182 *58 K 4.1307 8.0155 118.0004 57.7229 33.8692 177.0572 *60 F 4.6630 8.0013 120.2348 58.1356 40.9585 176.8614 61 D 4.5164 8.3002 119.8013 57.1266 40.4932 178.4452 62 F 3.8251 8.2863 121.3680 61.0799 39.2308 177.2341 63 V 3.2216 7.6446 117.3682 66.1152 31.3076 177.8123 64 S 4.1854 7.5458 113.5885 60.6728 61.9468 175.6876 65 E 3.8785 7.9661 121.5619 58.9991 29.4422 178.2541 66 R 3.9616 7.3441 115.2750 56.3439 30.1015 177.5381 67 G 3.7802 7.8906 107.9674 45.1017 0.0000 174.1673 68 G 3.7150 7.8582 109.6135 44.5997 0.0000 172.6639 69 R 4.3433 7.9742 119.0920 53.8732 31.4053 175.3177 70 V 3.9825 7.9729 125.3628 61.8082 31.9193 174.6804 71 K 4.2813 8.3269 128.4667 54.3964 33.4348 175.1228 72 L 4.2721 8.1264 126.4036 54.0415 42.6398 175.6253 73 Y 4.7242 8.0837 119.4174 55.3935 40.9342 175.2239 74 A 4.1215 8.5640 123.6037 52.5704 18.9342 177.0650 75 V 4.3823 8.0915 120.5545 61.0068 32.8912 175.7524 76 E 4.2543 8.7840 126.8844 55.5640 30.1424 176.1444 77 E 4.0977 8.8839 123.0395 56.0039 29.7992 175.1983 78 P 4.8974 0.0000 0.0000 60.7758 32.3755 174.3005 79 P 4.2808 0.0000 0.0000 63.0599 31.5058 176.2687 80 S 4.8306 7.8890 111.4403 56.6483 64.5682 173.7344 81 E 4.4353 6.9526 119.5381 54.1178 32.6665 174.7657 82 W 4.4953 7.2946 120.7191 54.5162 32.7723 175.4990 83 D 4.5177 8.7302 120.1588 57.2532 40.7538 177.2051 84 S 4.7397 7.7547 111.5317 55.6603 66.4589 174.0409 85 P 4.5866 0.0000 0.0000 65.9733 30.9690 178.3924 86 L 4.0522 8.1747 118.0960 58.4509 41.9678 178.7959 87 A 4.3445 8.6887 121.7598 54.5446 18.2654 179.4428 88 A 3.2741 8.4428 119.6296 55.3046 18.3369 179.9821 89 F 3.7050 8.7695 116.5855 60.3401 38.5942 177.7857 90 E 4.1506 8.7737 118.9460 59.7863 29.1789 178.8699 91 H 4.4047 8.4706 118.3066 59.1057 29.9211 177.3709 92 V 3.7472 7.8716 120.2107 66.3506 31.3790 177.3975 93 Y 4.1761 8.4557 119.3643 60.8347 38.6852 177.8767 94 E 3.8776 8.6176 119.6791 59.5110 29.5610 178.6569 95 H 4.2218 8.7499 118.7063 59.6111 29.8817 177.2257 96 E 4.1630 8.5477 120.2917 59.1470 29.3072 179.4562 97 V 3.6019 7.6411 118.4800 66.0586 31.6181 177.8802 98 N 4.3130 8.1898 116.1562 56.1925 38.3179 177.3061 99 V 3.5697 8.1156 120.0900 66.6288 31.5646 178.2126 100 T 3.7826 8.1049 115.3137 66.3842 68.2122 176.5327 101 K 3.9663 7.8977 121.1116 59.5747 32.1847 178.9210 102 R 3.9275 7.9527 118.8449 59.3554 29.9099 178.5218 103 I 3.6582 7.9640 119.8725 64.7570 37.1039 178.1599 104 H 4.2951 8.2868 116.9818 58.7687 28.2254 177.7950 105 E 4.0226 8.0574 119.9011 59.3026 29.3737 178.9523 106 L 4.1495 7.9259 118.1068 57.7250 41.7762 179.1798 107 V 3.8987 7.7369 117.0467 66.2049 31.4567 179.5320 108 E 4.2176 7.9269 114.4790 56.5728 29.4454 177.4998 *110 A 4.1963 7.8050 119.7719 52.2363 20.3183 178.8714 *112 Q 4.1984 8.0809 119.9586 57.2504 30.5073 176.2212 113 E 4.1039 8.1970 114.0343 56.5613 29.8052 176.4500 114 K 3.5416 7.7454 116.8953 57.3049 29.7924 176.4631 115 D 4.4674 8.2663 119.3056 53.2757 39.4356 175.1228 116 F 4.6564 7.7821 123.5082 59.7582 39.2869 176.6808 117 A 4.2154 8.2026 120.2922 55.6570 18.2544 179.6933 118 T 4.0206 8.5162 114.3608 66.7594 68.3112 176.2720 119 Y 4.0924 8.2182 120.6894 61.0145 39.2477 177.8328 120 N 4.5321 8.7980 117.5131 56.2752 38.7946 177.1996 121 F 4.0867 8.4757 122.2221 61.2765 39.4478 177.0210 122 L 4.0978 8.1798 117.8182 56.9234 41.3834 179.2391 123 Q 3.8710 7.6444 118.2244 58.2212 28.4582 178.1794 124 W 3.8620 7.8951 129.3579 60.8195 30.5636 177.6742 125 Y 3.7896 7.9414 115.9689 60.6593 37.1795 178.1387 126 V 3.4727 7.8905 119.1445 66.2379 31.3050 178.0467 127 A 3.8315 7.6540 120.1087 54.9911 18.1511 179.2319 128 E 3.4936 7.6293 117.9099 59.2871 29.5627 179.0950 129 Q 3.9745 8.2478 118.4626 58.5966 28.7886 178.7184 130 V 3.5874 7.4267 119.6279 66.2507 31.4649 177.9937 131 E 4.0341 7.6690 116.7332 59.1218 29.3467 179.0702 132 E 4.0324 8.2919 118.7225 59.4718 29.5396 179.2545 133 E 4.1063 8.3177 118.2502 59.5511 29.5960 179.3741 134 A 4.1179 7.9927 120.3482 55.2768 18.2951 179.9375 135 S 4.1440 8.7302 113.9955 61.5934 62.8607 176.7701 136 A 4.2467 8.3736 123.5506 55.2767 18.2449 179.4828 137 L 3.6503 8.5659 119.3367 58.1230 42.0576 178.6304 138 D 4.2702 8.2743 118.1927 57.3043 41.1074 178.3137 139 I 3.5011 7.3531 120.3740 63.7095 37.0101 178.1242 140 V 3.5790 7.8899 119.5926 66.4509 31.2644 178.0760 141 E 3.9255 8.1175 117.8927 59.0869 29.2865 179.4538 142 K 3.9149 7.9635 118.6138 59.5672 32.1461 179.4597 143 L 4.0666 8.2958 119.5499 57.6393 41.2289 179.8003 144 R 3.9303 7.8992 117.6872 59.1694 30.0734 178.7163 145 L 4.1268 7.6964 117.5934 57.9649 41.9428 179.3296 146 I 3.8371 7.9501 119.8406 61.0116 37.1031 179.1109 147 G 3.8207 8.3401 106.2346 47.0399 0.0000 174.2186 148 E 4.4255 8.9483 122.4778 55.5647 30.2574 175.4243 149 D 4.3615 8.1555 120.3182 54.5296 41.9872 176.7722 150 K 4.0563 8.6200 127.4840 59.3004 32.2441 179.3768 151 R 3.9170 8.0265 118.3957 59.3930 30.1918 178.1519 152 A 4.0030 8.8629 121.0318 55.1148 18.2235 179.4014 153 L 4.0241 8.0676 118.9482 58.3840 42.1933 179.2410 154 L 4.0951 8.2169 118.9476 57.3358 41.5018 179.2785 155 F 3.9885 8.6177 121.2887 61.2073 39.3559 176.9881 156 L 3.9095 8.1549 120.0829 58.0001 41.8842 178.1534 157 D 4.1302 8.4007 118.2303 57.3755 41.0174 178.3714 158 K 3.8607 7.9039 119.8672 59.4475 32.2196 178.5312 159 E 3.7788 7.8256 118.8693 59.4459 29.5074 179.3334 160 L 4.1282 7.8833 118.7257 57.0161 41.4264 179.2204 161 S 4.2908 7.4696 113.1744 60.3521 63.0739 175.4560 162 L 4.2408 7.4151 120.7202 54.4613 42.1218 176.9235 163 R 4.0553 7.3387 120.2539 56.1057 30.7186 176.1643 164 Q 4.0998 8.3100 121.2846 56.3813 28.7916 174.8756 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 3 S 8.33 4.31 0.00 3.81 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 4 I 7.43 3.46 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 0.86 0.00 0.00 5 S 9.17 4.48 0.00 4.00 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 6 E 8.58 4.04 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00 7 K 7.61 3.85 0.00 1.87 1.76 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.38 7.81 *9 V 7.88 3.95 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 0.87 0.00 0.00 0.92 0.00 0.00 10 E 8.30 3.96 0.00 2.18 2.16 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 2.32 2.40 0.00 11 A 8.02 4.03 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 12 L 7.92 4.05 0.00 1.87 1.81 1.09 0.81 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 13 N 8.95 4.58 0.00 3.02 3.18 0.00 0.00 6.99 7.80 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 14 R 8.14 4.07 0.00 2.01 1.94 0.00 3.05 0.00 0.00 2.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 15 Q 8.28 3.99 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 16 I 8.43 3.77 2.17 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.65 1.06 0.00 0.00 17 N 8.40 4.34 0.00 3.07 3.08 0.00 0.00 7.16 7.27 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 18 A 8.40 4.14 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 19 E 8.75 4.10 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 20 I 8.13 3.76 2.07 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 1.41 0.82 0.92 0.00 0.00 21 Y 8.46 4.09 0.00 3.20 3.21 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 22 S 8.66 3.79 0.00 4.15 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 23 A 8.18 4.24 1.53 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 0.00 0.00 24 Y 8.50 4.32 0.00 3.10 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 25 L 7.68 3.64 0.00 0.90 1.21 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.34 4.49 0.00 3.22 3.07 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 27 L 8.27 3.91 0.00 1.27 1.45 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.84 3.90 0.00 3.75 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 *30 A 7.95 4.47 1.42 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 0.00 0.00 31 S 7.98 4.14 0.00 3.90 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.14 4.10 0.00 3.27 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 33 F 7.97 3.77 0.00 3.27 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 34 D 8.31 4.35 0.00 2.90 2.85 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 0.00 0.00 0.00 35 S 7.81 4.29 0.00 4.08 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 36 I 6.90 4.32 1.72 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.61 0.72 0.00 0.00 37 G 7.83 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 38 L 7.83 4.55 0.00 1.75 1.86 0.52 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.33 4.24 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.47 7.81 40 G 8.44 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 41 F 8.49 3.70 0.00 2.75 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.18 4.43 0.00 4.06 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 43 N 8.55 4.53 0.00 2.87 3.07 0.00 0.00 6.81 8.77 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 44 W 7.94 4.27 0.00 3.45 3.21 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 *46 R 7.92 4.40 0.00 2.14 2.14 0.00 3.24 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 47 V 8.06 3.57 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 0.90 0.00 0.00 0.90 0.00 0.00 48 Q 7.95 3.62 0.00 1.53 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 1.41 2.15 0.00 49 W 8.43 4.49 0.00 3.71 3.07 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 50 Q 8.03 3.56 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 51 E 7.98 4.01 0.00 1.97 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 2.29 2.25 0.00 52 E 8.59 4.09 0.00 2.01 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 0.00 2.79 2.88 0.00 53 L 7.38 4.22 0.00 1.53 1.41 0.64 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.21 4.89 0.00 3.51 3.80 0.00 5.72 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 56 A 8.21 4.17 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 *58 K 8.02 4.13 0.00 1.71 2.07 0.00 0.82 0.00 0.00 0.62 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.36 7.81 *60 F 8.00 4.66 0.00 3.28 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 61 D 8.30 4.52 0.00 2.88 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 62 F 8.29 3.83 0.00 2.59 2.52 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 0.00 63 V 7.64 3.22 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 0.87 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.10 0.00 0.00 141 E 8.12 3.93 0.00 2.00 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 2.23 2.52 0.00 142 K 7.96 3.91 0.00 1.84 1.77 0.00 1.51 0.00 0.00 1.57 0.00 0.00 3.27 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.54 7.81 143 L 8.30 4.07 0.00 1.79 1.76 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.90 3.93 0.00 1.91 1.98 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 145 L 7.70 4.13 0.00 1.77 1.71 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.95 3.84 2.09 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 1.47 0.67 0.96 0.00 0.00 147 G 8.34 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 0.00 0.00 0.00 148 E 8.95 4.43 0.00 1.95 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 0.00 2.23 2.21 0.00 149 D 8.16 4.36 0.00 2.71 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 0.00 150 K 8.62 4.06 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.63 7.81 151 R 8.03 3.92 0.00 1.89 2.04 0.00 3.19 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 152 A 8.86 4.00 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 0.00 153 L 8.07 4.02 0.00 1.91 1.88 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.22 4.10 0.00 1.95 1.75 0.95 0.78 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 0.00 155 F 8.62 3.99 0.00 3.21 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 0.00 156 L 8.15 3.91 0.00 1.86 1.87 0.74 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.40 4.13 0.00 3.17 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 0.00 158 K 7.90 3.86 0.00 1.74 1.57 0.00 1.51 0.00 0.00 1.38 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.38 7.81 159 E 7.83 3.78 0.00 2.05 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 2.08 2.10 0.00 160 L 7.88 4.13 0.00 1.57 1.64 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.47 4.29 0.00 3.96 4.08 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 0.00 162 L 7.42 4.24 0.00 1.77 1.71 0.90 0.88 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 0.00 163 R 7.34 4.06 0.00 1.83 1.79 0.00 2.57 0.00 0.00 2.75 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 164 Q 8.31 4.10 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.