NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1171 8.1701 110.9374 61.5650 70.7753 172.7755 2 A 3.9559 7.9081 126.2163 50.4420 18.2174 176.6260 3 C 4.5605 8.9586 119.5711 57.0256 36.5473 172.2326 4 T 4.7326 7.8749 118.2837 62.7138 73.3837 175.4117 5 A 3.6338 8.3275 127.2431 53.0677 18.4701 180.1603 6 T 3.8782 8.7191 115.1116 67.5161 67.0719 174.8648 7 Q 3.9494 7.9085 119.8043 58.9355 28.6743 178.7476 8 Q 3.6245 7.7890 119.7785 59.4809 29.2328 177.9739 9 T 3.9467 7.7382 113.6733 64.7232 67.1791 176.1283 10 A 3.9570 8.2406 123.0300 55.1732 18.4328 179.4171 11 A 3.9905 7.8021 118.9226 55.5516 18.2586 179.2358 12 Y 4.3503 8.0673 115.5308 61.0825 37.9553 178.3246 13 K 3.8713 8.4415 120.4036 60.8863 32.0490 178.1772 14 T 3.9529 7.6602 114.3880 66.1866 68.6425 175.9010 15 L 3.9391 8.6042 121.7878 58.6849 42.1369 179.4748 16 V 3.5298 8.3560 117.6587 66.5467 31.3234 178.5034 17 S 4.1231 7.6522 112.6154 61.5436 62.9142 176.3487 18 I 3.8372 7.7205 121.0893 63.9981 37.5496 177.7074 19 L 3.6210 7.7636 118.0649 57.9783 41.4462 178.1491 20 S 4.5496 7.5637 110.6775 58.3300 62.5998 172.6824 21 D 4.9132 7.9392 117.5672 51.0709 43.6647 176.5409 22 A 4.1756 8.6844 127.4249 55.0323 18.2625 179.7061 23 S 4.0368 8.1608 111.6288 61.6189 62.3657 175.9218 24 F 3.9938 7.8721 121.7141 61.3773 39.1484 176.4691 25 N 4.3464 8.4455 115.5189 56.7343 38.3855 177.0777 26 Q 3.9779 8.0744 118.9672 59.2780 28.9188 177.8808 27 C 4.1205 8.1267 119.5939 59.7832 37.8016 175.6308 28 S 4.0884 7.9001 117.0611 61.1716 62.1312 176.7610 29 T 3.8820 7.7439 118.4309 66.3853 68.2508 176.3379 30 D 4.4623 7.8106 119.9872 57.2976 41.0403 178.6840 31 S 4.3150 7.5783 112.8106 62.6400 63.5868 174.4852 32 G 3.9843 7.7509 110.6031 45.4281 0.0000 174.0647 33 Y 4.1128 8.2860 121.7718 57.7901 39.3447 174.9610 34 S 4.5065 7.5787 120.8506 56.1422 63.7150 173.9906 35 M 3.8209 8.2690 127.3406 58.3691 32.4543 177.0952 36 L 3.9623 8.1804 119.6296 57.9703 42.6861 176.8763 37 T 4.6311 7.2658 110.1792 59.6412 67.2532 173.5010 38 A 4.5666 7.5542 122.8539 51.2726 22.9708 177.4499 39 K 4.5984 8.2719 123.2141 54.8746 32.6529 176.6943 40 A 4.4647 7.4059 117.3551 52.0641 22.3917 176.8635 41 L 4.0716 8.5216 123.5486 53.5819 42.4881 175.4565 42 P 4.2063 0.0000 0.0000 62.2434 32.1688 176.9972 43 T 4.0959 8.0733 110.5121 61.8254 70.7536 174.9396 44 T 3.9808 8.7255 115.9312 65.6743 67.0934 175.8873 45 A 3.9867 7.9644 121.7985 55.3911 18.4920 179.4032 46 Q 3.9315 8.0452 116.0217 59.2358 28.7709 178.5697 47 Y 3.8550 7.9128 117.6479 60.9541 37.7094 178.3206 48 K 3.9227 7.9078 118.9583 59.7151 32.2792 178.0649 49 L 4.1516 7.9679 118.8810 58.4154 41.4294 179.6936 50 M 4.1253 8.1190 117.1849 58.6761 32.0065 177.9289 51 C 4.5527 8.4665 115.4094 58.9034 41.5563 173.9965 52 A 4.6376 7.6681 121.3387 51.4055 18.3435 175.6736 53 S 4.4918 7.7154 112.3144 57.1074 63.8130 172.9548 54 T 3.4431 7.4949 117.4162 65.5249 67.3847 173.6322 55 A 3.9395 7.7851 121.5521 55.7044 18.8210 180.0457 56 C 4.0635 8.1602 114.3101 60.4275 41.2736 176.0507 57 N 4.1115 8.0377 117.1369 56.6278 38.2241 177.2344 58 T 3.8312 7.7428 116.8304 66.9712 68.5942 176.4411 59 M 4.0680 7.8627 119.8760 58.5190 32.0016 178.8592 60 I 3.5257 7.3408 119.1403 64.3430 37.2257 178.4628 61 K 3.7710 8.0017 119.3080 59.5294 31.9573 179.2334 62 K 4.0718 7.7430 120.3419 59.1121 32.1367 178.9627 63 I 3.7369 7.5892 119.6101 64.2184 36.7701 178.7101 64 V 3.4811 7.7606 118.5026 66.1641 31.6197 177.6974 65 T 3.9952 8.0627 110.0781 64.9305 68.1706 176.1841 66 L 4.1251 7.7516 121.5006 55.6532 41.0885 173.8247 67 N 3.9334 7.7508 121.2356 52.2404 35.6278 172.0552 68 P 4.6979 0.0000 0.0000 60.5605 33.2051 174.1560 69 P 4.6480 0.0000 0.0000 61.8847 32.1492 176.3756 70 N 4.1870 8.2826 118.4758 53.4668 37.0443 172.4571 71 C 4.9005 8.0397 118.1270 53.8745 44.5763 172.9877 72 D 4.8812 8.4454 117.7814 52.5610 44.3885 174.5654 73 L 4.9101 8.8700 126.3740 53.2563 44.3448 175.2106 74 T 4.4357 8.4690 117.5653 61.1547 69.9228 174.4245 75 V 3.9477 8.3522 126.7028 61.0239 32.6148 174.7799 76 P 4.9038 0.0000 0.0000 62.7037 31.6069 176.0054 77 T 4.6622 7.6606 113.9067 64.5927 74.8390 174.3837 78 S 4.1270 8.1820 114.7997 61.5784 63.2722 175.2230 79 G 4.1293 7.8087 108.0043 44.2875 0.0000 172.4622 80 L 4.8789 7.7289 120.1946 52.8281 46.0563 175.0355 81 V 4.4217 8.3248 123.2386 61.5890 32.9793 174.7166 82 L 4.5527 8.6655 129.9074 53.2587 43.7243 176.1666 83 N 4.4337 9.0234 125.2225 55.4160 38.9004 175.1482 84 V 4.0265 8.2979 120.6617 64.0898 31.1030 172.4940 85 Y 3.9993 8.0472 117.8171 60.9101 39.0503 177.3653 86 S 4.3994 8.9816 114.0181 61.5149 62.5168 175.1316 87 Y 4.3133 8.4396 121.5916 61.6189 38.7503 177.4440 88 A 3.6124 8.0441 118.8164 56.4949 18.2829 179.1620 89 N 4.2542 7.9683 112.9904 55.4644 37.6911 177.5195 90 G 3.7159 8.1658 108.0806 47.5955 0.0000 175.0042 91 F 3.8047 8.0700 123.2222 61.2178 39.3241 177.3251 92 S 4.1859 7.5582 112.6479 61.6309 62.6473 176.1351 93 N 4.2258 7.8295 119.6705 56.7776 38.7042 176.7938 94 K 3.9053 8.0008 122.3053 59.0118 31.9501 177.9636 95 C 4.2860 8.1192 118.1186 59.4446 43.5796 175.5848 96 S 4.2350 7.8432 116.4934 61.6288 62.6844 176.4889 97 S 4.1272 8.0445 119.4065 61.6909 62.4470 174.9209 *98 L 4.0640 7.6172 126.2542 54.2348 41.4275 179.2072 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 T 8.17 4.12 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 1.19 0.00 0.00 2 A 7.91 3.96 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 3 C 8.96 4.56 0.00 2.85 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.87 4.73 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 1.20 0.00 0.00 5 A 8.33 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.72 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 7 Q 7.91 3.95 0.00 2.44 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 8 Q 7.79 3.62 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.88 0.00 0.00 0.00 0.00 0.00 1.29 2.00 0.00 9 T 7.74 3.95 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 1.28 0.00 0.00 10 A 8.24 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.80 3.99 1.35 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 0.00 0.00 0.00 12 Y 8.07 4.35 0.00 3.13 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 13 K 8.44 3.87 0.00 1.87 1.99 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.55 7.81 14 T 7.66 3.95 4.43 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 1.25 0.00 0.00 15 L 8.60 3.94 0.00 1.81 1.82 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.36 3.53 2.26 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 0.99 0.00 0.00 0.84 0.00 0.00 17 S 7.65 4.12 0.00 4.17 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 18 I 7.72 3.84 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 1.58 1.72 0.91 0.00 0.00 19 L 7.76 3.62 0.00 1.64 1.56 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.56 4.55 0.00 3.74 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 21 D 7.94 4.91 0.00 2.99 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.68 4.18 1.35 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 0.00 0.00 0.00 23 S 8.16 4.04 0.00 3.98 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 24 F 7.87 3.99 0.00 3.28 3.05 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 25 N 8.45 4.35 0.00 3.11 2.90 0.00 0.00 7.12 7.84 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 26 Q 8.07 3.98 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 27 C 8.13 4.12 0.00 2.94 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 28 S 7.90 4.09 0.00 3.94 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 29 T 7.74 3.88 4.41 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 1.20 0.00 0.00 30 D 7.81 4.46 0.00 2.77 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 31 S 7.58 4.32 0.00 4.26 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 32 G 7.75 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 33 Y 8.29 4.11 0.00 2.96 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 34 S 7.58 4.51 0.00 3.93 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 35 M 8.27 3.82 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 36 L 8.18 3.96 0.00 1.59 1.67 0.54 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.27 4.63 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 1.19 0.00 0.00 38 A 7.55 4.57 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 39 K 8.27 4.60 0.00 1.86 1.93 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.63 7.81 40 A 7.41 4.46 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 41 L 8.52 4.07 0.00 1.67 1.57 1.01 1.16 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 42 P 0.00 4.21 0.00 1.67 1.37 0.00 3.14 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.61 0.00 43 T 8.07 4.10 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 1.22 0.00 0.00 44 T 8.73 3.98 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 1.22 0.00 0.00 45 A 7.96 3.99 1.33 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 0.00 0.00 0.00 0.00 0.00 46 Q 8.05 3.93 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.08 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 47 Y 7.91 3.85 0.00 3.17 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 48 K 7.91 3.92 0.00 1.81 2.19 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 49 L 7.97 4.15 0.00 1.88 1.73 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.12 4.13 0.00 2.28 2.55 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 51 C 8.47 4.55 0.00 3.22 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 52 A 7.67 4.64 1.22 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 0.00 0.00 0.00 53 S 7.72 4.49 0.00 4.04 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 54 T 7.49 3.44 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 55 A 7.79 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 C 8.16 4.06 0.00 3.09 3.09 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 57 N 8.04 4.11 0.00 2.85 2.81 0.00 0.00 7.03 7.29 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 58 T 7.74 3.83 4.42 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 1.21 0.00 0.00 59 M 7.86 4.07 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.64 0.00 60 I 7.34 3.53 1.41 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.61 0.00 0.00 61 K 8.00 3.77 0.00 1.76 1.83 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.58 7.81 62 K 7.74 4.07 0.00 1.94 2.02 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.35 7.81 63 I 7.59 3.74 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.35 1.00 0.00 0.00 64 V 7.76 3.48 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 0.87 0.00 0.00 0.91 0.00 0.00 65 T 8.06 4.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 66 L 7.75 4.13 0.00 1.84 1.92 0.94 1.16 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 67 N 7.75 3.93 0.00 2.88 2.93 0.00 0.00 7.01 8.94 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 68 P 0.00 4.70 0.00 2.26 2.12 0.00 3.56 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 1.98 1.97 0.00 69 P 0.00 4.65 0.00 2.22 2.13 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 70 N 8.28 4.19 0.00 2.32 2.57 0.00 0.00 6.57 7.35 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 71 C 8.04 4.90 0.00 3.06 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 72 D 8.45 4.88 0.00 2.55 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 73 L 8.87 4.91 0.00 1.66 1.50 0.79 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.47 4.44 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 1.21 0.00 0.00 75 V 8.35 3.95 2.08 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 1.01 0.00 0.00 0.96 0.00 0.00 76 P 0.00 4.90 0.00 2.22 2.13 0.00 3.86 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 1.98 1.97 0.00 77 T 7.66 4.66 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 78 S 8.18 4.13 0.00 4.08 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 79 G 7.81 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 80 L 7.73 4.88 0.00 1.68 1.49 0.95 0.86 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 81 V 8.32 4.42 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 0.90 0.00 0.00 0.94 0.00 0.00 82 L 8.67 4.55 0.00 1.72 1.44 0.82 0.04 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 83 N 9.02 4.43 0.00 2.79 2.96 0.00 0.00 7.51 7.74 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 84 V 8.30 4.03 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 0.90 0.00 0.00 0.98 0.00 0.00 85 Y 8.05 4.00 0.00 3.28 3.22 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 0.00 86 S 8.98 4.40 0.00 4.12 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 87 Y 8.44 4.31 0.00 3.15 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 88 A 8.04 3.61 1.30 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 0.00 0.00 89 N 7.97 4.25 0.00 2.99 3.03 0.00 0.00 5.61 7.02 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 90 G 8.17 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.07 3.80 0.00 2.88 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 92 S 7.56 4.19 0.00 4.08 3.92 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 93 N 7.83 4.23 0.00 2.72 2.82 0.00 0.00 6.91 5.95 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 94 K 8.00 3.91 0.00 1.54 1.19 0.00 1.35 0.00 0.00 1.33 0.00 0.00 2.66 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.71 7.81 95 C 8.12 4.29 0.00 3.26 3.28 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 0.00 96 S 7.84 4.23 0.00 4.05 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 97 S 8.04 4.13 0.00 3.99 4.06 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 *98 L 7.62 4.06 0.00 1.35 1.56 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.