NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0814 8.3044 118.1824 55.4246 33.4333 173.8752 2 V 3.9843 6.8417 123.9963 61.2548 32.2608 172.7066 3 L 4.5764 9.3084 118.8620 52.6928 44.5219 174.3707 4 L 4.7872 7.2576 127.7910 55.0819 43.4303 171.6221 5 T 5.2651 8.1933 123.8317 61.9614 72.1304 173.2164 6 M 5.4368 9.0184 124.7293 53.6038 36.5744 174.4679 7 I 4.5624 9.2731 123.6867 59.4261 39.9650 174.4778 8 A 4.6210 7.7065 128.3577 49.2649 22.8883 174.8225 9 R 4.0354 8.4665 121.5118 56.1637 30.6145 177.5410 10 V 3.3629 8.5151 127.1335 66.1320 31.6531 176.6925 11 A 4.0530 7.9233 120.7747 55.0383 18.0130 177.8300 12 D 4.6235 7.9346 111.6609 52.5663 40.6385 177.0372 13 G 3.6756 8.0926 108.0330 45.8188 0.0000 173.1370 14 L 3.9420 7.7486 122.3382 53.9561 43.1927 174.4664 15 P 4.1814 0.0000 0.0000 62.8167 31.8996 176.6227 16 L 4.5674 8.5850 123.1632 56.0375 44.6768 176.3674 17 A 5.0642 7.6409 116.8447 51.3761 22.5594 175.1369 18 A 5.4896 8.4235 120.7583 51.8242 23.0907 175.4844 19 S 4.5241 8.4073 108.9795 58.1878 65.6041 174.1818 20 M 5.0351 8.6825 125.6291 54.2252 36.2690 174.7588 21 Q 4.4182 8.4062 120.3559 54.7196 33.2601 173.0394 22 E 3.9280 8.9538 124.5833 57.5738 29.0169 176.7949 23 D 4.3570 8.7913 126.1013 54.8148 41.8750 175.2527 *29 D 4.4802 7.6603 118.5021 53.7063 42.8129 176.8512 30 L 4.0522 8.5304 120.6716 58.4589 41.6183 178.3665 31 Q 4.0121 8.2602 117.2116 59.8052 28.1306 179.0022 32 Q 3.8676 7.7324 120.9643 58.8969 29.2495 177.6889 33 Y 4.2125 8.0959 117.0649 60.7365 37.8590 178.5138 34 Q 4.0761 8.4823 121.4317 58.9475 29.2143 178.1193 35 S 4.0780 7.8638 115.2704 61.6595 63.0900 176.1501 36 Q 3.7997 7.9599 122.3208 58.3896 28.4987 179.0709 37 A 3.5123 7.8742 121.2826 55.2356 18.2876 179.9566 38 K 4.0420 8.0427 116.5511 59.1881 32.0325 179.8528 39 Q 3.9027 8.2585 119.1411 58.7173 28.6807 177.9496 40 L 3.7380 7.8947 121.6537 58.3905 41.7812 178.7553 41 F 4.3958 7.2229 115.9606 60.8410 38.9505 177.4921 42 R 4.0374 7.5339 116.7564 59.5418 30.0197 178.3257 43 K 4.0444 7.8002 116.6699 58.3738 32.4712 178.0912 44 L 4.0285 7.8018 118.7293 55.2057 42.4016 176.2315 45 N 4.9318 8.9740 119.2947 51.6287 40.0892 174.5209 46 E 4.1929 8.8290 115.0857 58.4762 29.5187 177.1203 47 Q 4.5072 8.3268 117.6730 56.2948 30.5641 176.3439 48 S 4.3832 7.7593 113.1977 57.4887 63.4275 172.4049 49 P 4.4374 0.0000 0.0000 63.2438 31.6825 177.0014 50 T 4.4315 8.5733 111.7248 63.5054 70.1888 174.2773 51 R 5.0648 7.7190 121.2586 55.2263 34.0968 173.7894 52 C 4.6809 8.4211 123.0760 58.4062 36.1242 172.8754 53 T 5.0745 8.7818 118.8152 62.1667 71.8387 173.2264 54 L 5.7739 8.7570 126.7258 52.9372 44.4936 175.7882 55 E 4.8365 8.7219 120.8671 54.1664 31.4506 176.5683 56 A 5.0496 8.1204 131.0014 51.3895 19.9408 176.7140 57 G 3.9337 7.9793 113.7062 46.0424 0.0000 176.3555 58 A 4.0006 8.7833 123.8469 54.8914 18.4660 177.0529 59 M 4.9402 7.5737 113.9744 54.5738 34.0792 175.8888 60 T 4.8038 8.4277 116.4146 62.9054 73.2998 173.5771 61 F 4.8168 9.0143 126.1657 57.4399 40.8673 174.9590 62 H 5.1480 9.4773 119.2871 54.4362 32.3030 172.0208 63 Y 5.9186 8.9201 121.2369 54.3254 41.9187 174.4136 64 I 5.3793 8.5677 111.6703 59.7003 41.5153 173.5803 65 I 5.2998 9.0425 124.6364 59.8233 40.1614 175.2565 66 E 4.5067 9.4826 125.9879 56.2388 34.0224 175.0936 67 Q 3.6438 9.5921 124.7743 57.6831 27.3871 173.2273 68 G 4.0314 7.9905 100.3854 46.3210 0.0000 171.9471 69 V 4.5879 7.5055 117.7630 60.6915 35.1405 173.6075 70 C 5.1448 8.8212 127.7266 57.8675 34.0567 171.7934 71 Y 4.5851 9.3952 124.4321 56.4135 39.6428 174.4896 72 L 5.3542 8.9911 127.3992 53.5581 45.5712 175.5629 73 V 5.0316 8.2732 120.7389 60.7681 34.8734 172.7350 74 L 4.6491 8.3348 127.0061 53.1738 44.5464 174.6070 75 C 4.6746 7.0876 117.0592 57.7016 33.3114 173.0128 76 E 4.2755 8.0887 119.0112 56.1497 29.7231 177.8722 77 A 4.1582 9.4751 127.3489 54.7254 18.4133 178.9373 78 A 4.0747 8.1838 116.5373 54.7387 18.5274 177.7360 79 F 4.2452 8.5375 118.6936 57.0705 40.1191 173.3573 80 P 4.0433 0.0000 0.0000 62.6523 31.4405 177.5810 81 K 4.0253 8.6700 124.1217 59.4296 32.4242 179.2015 82 K 4.0606 7.9045 120.1132 60.0518 32.5542 179.0913 83 L 4.1998 7.6574 119.7319 57.0478 41.6564 178.7343 84 A 4.1960 8.0932 120.9212 55.7600 18.2196 179.8911 85 F 4.0463 8.2056 114.4041 60.2865 38.9365 177.9297 86 A 4.0730 7.7805 119.4339 55.2506 18.2817 178.9472 87 Y 3.4878 8.0380 118.3223 60.6360 38.7822 178.4881 88 L 3.7006 7.5741 119.3502 57.6185 41.7707 179.1187 89 E 3.8746 8.3332 118.7154 59.5613 29.3205 178.9607 90 D 4.4990 8.0861 118.6697 57.6758 40.9997 179.1438 91 L 4.4926 7.7919 118.8766 58.8257 41.5723 178.2378 92 H 3.5659 8.6399 118.0876 58.8725 29.3777 176.8040 93 S 4.0102 8.1626 115.1020 61.7711 62.7696 176.2952 94 E 3.7696 7.9555 123.2533 58.6940 28.8999 178.3274 95 F 3.7047 9.0181 120.6142 61.3475 39.3541 176.3405 96 D 4.5524 9.1517 118.4225 57.6582 40.7613 178.1044 97 E 3.8573 8.2358 118.6113 59.1416 29.6509 178.3969 98 Q 4.0161 7.8761 117.5229 58.0525 29.3412 176.4633 99 H 4.5653 8.4879 113.5322 53.8339 30.8867 175.1059 100 G 4.0077 7.7009 109.1469 47.3542 0.0000 175.6375 101 K 4.1770 7.8464 118.3674 57.9103 32.5690 178.2878 102 K 4.2745 7.9353 118.7630 57.2233 32.2953 178.1922 103 V 3.7545 7.5084 119.1803 65.7685 31.3625 174.8843 104 P 4.6893 0.0000 0.0000 63.0932 31.2305 176.2294 105 T 4.4227 8.0243 110.0748 62.5876 70.5203 175.2944 106 V 3.8629 7.6571 114.3099 61.5541 32.0404 175.7160 107 S 4.5732 8.0949 112.1001 57.8914 64.9860 174.6425 108 R 4.2890 7.6673 119.5011 54.6378 30.9179 174.4113 109 P 4.2710 0.0000 0.0000 62.9533 32.5004 175.3580 110 Y 3.9224 7.5815 114.7366 59.1108 35.9919 174.0185 111 S 4.1257 7.9559 115.3531 60.5147 63.3882 175.0843 112 F 5.0940 7.6171 120.5755 56.1290 39.7920 177.4245 113 I 3.8945 7.9378 116.9505 64.6553 37.1496 176.5647 114 E 4.2848 8.4183 118.9612 58.2771 29.3254 178.1203 115 F 4.4926 8.8199 120.9011 59.4188 39.5020 175.8487 116 D 4.4914 8.6040 118.5548 59.0147 40.9174 177.9276 117 T 3.8303 7.7403 115.8744 66.6484 68.3748 175.8738 118 F 3.9828 8.0138 121.4113 61.6215 39.3536 177.0758 119 I 3.6490 7.4058 119.1128 64.9666 36.8515 178.3617 120 Q 4.0662 7.9609 118.0817 58.4577 28.3417 178.6919 121 K 3.9684 7.7534 119.3910 60.0684 32.8338 179.1809 122 T 3.9616 7.7808 117.1983 65.9202 68.4410 176.6060 123 K 3.6652 8.0816 121.7270 59.6739 32.0501 179.0234 124 K 4.0471 7.8091 118.4539 59.0769 31.7104 178.6716 125 L 4.2475 7.4707 116.4614 56.0170 41.4444 176.9023 126 Y 4.6423 7.8553 114.3040 57.1958 40.5699 175.7626 127 I 4.3839 7.1328 120.9124 58.0686 36.7903 176.3626 128 D 4.9253 7.4333 121.2125 53.7423 43.1231 176.6370 129 S 4.3080 8.7850 122.3048 60.6303 62.8928 174.9228 130 R 4.4578 7.9533 119.6669 56.2297 30.1711 176.9130 131 A 4.4709 7.7653 118.5866 51.6266 24.0158 178.6685 132 R 3.0648 7.8235 106.6712 57.3122 29.3088 175.4170 *148 I 3.9895 7.8158 120.1830 62.1004 38.7957 173.8285 149 M 4.2597 7.5508 119.6506 55.6970 35.2424 173.8595 150 V 5.5912 8.6036 121.6504 60.1464 34.7287 174.4243 151 A 4.6753 8.3287 127.0195 50.6373 22.9769 175.1062 152 N 4.9609 8.9095 118.7414 52.9566 39.1876 175.7689 153 I 3.6173 8.7035 124.6626 64.3769 38.3547 176.9950 154 E 3.9273 8.4322 118.3727 60.4883 29.2422 178.1351 155 E 3.8254 8.7160 118.1723 58.0727 29.4805 178.5872 156 V 3.6866 7.5622 120.3259 66.1112 32.2613 176.1590 157 L 4.0987 7.5461 121.0318 55.0767 41.4244 176.9120 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 4.08 0.00 2.48 2.40 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.76 0.00 2 V 6.84 3.98 1.90 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 0.74 0.00 0.00 0.81 0.00 0.00 3 L 9.31 4.58 0.00 1.66 1.45 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.26 4.79 0.00 1.78 1.65 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.19 5.27 4.40 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 1.36 0.00 0.00 6 M 9.02 5.44 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 7 I 9.27 4.56 1.38 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.32 -0.39 0.00 0.00 8 A 7.71 4.62 -0.29 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 9 R 8.47 4.04 0.00 1.73 1.81 0.00 3.09 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 10 V 8.52 3.36 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 0.80 0.00 0.00 0.85 0.00 0.00 11 A 7.92 4.05 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 12 D 7.93 4.62 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 3.68 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 0.00 0.00 0.00 14 L 7.75 3.94 0.00 1.98 1.43 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.18 0.00 1.04 1.33 0.00 3.35 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 16 L 8.58 4.57 0.00 1.50 1.89 0.78 0.61 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 17 A 7.64 5.06 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 18 A 8.42 5.49 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.41 4.52 0.00 3.95 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 20 M 8.68 5.04 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 21 Q 8.41 4.42 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 22 E 8.95 3.93 0.00 1.94 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 23 D 8.79 4.36 0.00 2.65 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 *29 D 7.66 4.48 0.00 2.91 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 30 L 8.53 4.05 0.00 1.77 1.71 0.94 0.69 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 31 Q 8.26 4.01 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 32 Q 7.73 3.87 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 33 Y 8.10 4.21 0.00 3.16 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 34 Q 8.48 4.08 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 35 S 7.86 4.08 0.00 4.01 4.10 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 36 Q 7.96 3.80 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 37 A 7.87 3.51 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 38 K 8.04 4.04 0.00 1.97 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.79 7.81 39 Q 8.26 3.90 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 40 L 7.89 3.74 0.00 1.41 1.34 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.22 4.40 0.00 3.15 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 42 R 7.53 4.04 0.00 1.76 2.19 0.00 3.26 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 43 K 7.80 4.04 0.00 1.84 1.83 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.72 1.58 7.81 44 L 7.80 4.03 0.00 1.68 1.55 0.42 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.97 4.93 0.00 2.86 2.89 0.00 0.00 6.50 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 46 E 8.83 4.19 0.00 2.10 2.12 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 2.28 2.28 0.00 47 Q 8.33 4.51 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 48 S 7.76 4.38 0.00 3.95 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 0.00 49 P 0.00 4.44 0.00 2.14 2.03 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 50 T 8.57 4.43 4.33 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 1.27 0.00 0.00 51 R 7.72 5.06 0.00 1.63 1.87 0.00 3.43 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 52 C 8.42 4.68 0.00 2.61 1.44 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 53 T 8.78 5.07 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 1.25 0.00 0.00 54 L 8.76 5.77 0.00 1.78 1.78 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.72 4.84 0.00 1.95 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 2.36 2.33 0.00 56 A 8.12 5.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 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 0.00 0.00 0.00 58 A 8.78 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 59 M 7.57 4.94 0.00 1.64 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 2.51 0.00 60 T 8.43 4.80 4.31 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 1.23 0.00 0.00 61 F 9.01 4.82 0.00 3.02 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 62 H 9.48 5.15 0.00 2.82 2.32 0.00 5.55 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.92 5.92 0.00 3.24 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 64 I 8.57 5.38 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.15 1.13 0.00 0.00 65 I 9.04 5.30 2.04 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 1.30 1.02 1.02 0.00 0.00 66 E 9.48 4.51 0.00 1.70 1.66 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 2.21 2.21 0.00 67 Q 9.59 3.64 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 68 G 7.99 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 0.00 0.00 0.00 69 V 7.51 4.59 2.20 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 0.26 0.00 0.00 0.98 0.00 0.00 70 C 8.82 5.14 0.00 2.86 2.63 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 71 Y 9.40 4.59 0.00 2.96 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 72 L 8.99 5.35 0.00 1.92 1.86 1.15 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.27 5.03 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 0.61 0.00 0.00 1.09 0.00 0.00 74 L 8.33 4.65 0.00 1.10 1.30 -0.31 0.18 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 75 C 7.09 4.67 0.00 2.90 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 76 E 8.09 4.28 0.00 2.13 1.91 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 2.31 2.26 0.00 77 A 9.48 4.16 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 78 A 8.18 4.07 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 79 F 8.54 4.25 0.00 3.05 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 80 P 0.00 4.04 0.00 1.58 1.76 0.00 2.20 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 81 K 8.67 4.03 0.00 2.12 2.31 0.00 1.62 0.00 0.00 2.05 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.50 7.81 82 K 7.90 4.06 0.00 2.01 2.09 0.00 1.47 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 83 L 7.66 4.20 0.00 1.49 1.93 0.70 1.02 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 84 A 8.09 4.20 1.24 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 0.00 0.00 85 F 8.21 4.05 0.00 3.20 3.17 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 86 A 7.78 4.07 1.60 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 0.00 0.00 87 Y 8.04 3.49 0.00 2.19 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 88 L 7.57 3.70 0.00 1.81 1.63 0.75 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.33 3.87 0.00 2.25 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 2.39 2.56 0.00 90 D 8.09 4.50 0.00 3.11 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 91 L 7.79 4.49 0.00 1.88 2.00 0.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.64 3.57 0.00 2.13 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.16 4.01 0.00 4.07 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 94 E 7.96 3.77 0.00 1.83 2.37 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 1.47 2.30 0.00 95 F 9.02 3.70 0.00 2.96 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 96 D 9.15 4.55 0.00 2.98 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 97 E 8.24 3.86 0.00 1.98 2.12 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 2.24 2.28 0.00 98 Q 7.88 4.02 0.00 1.88 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 99 H 8.49 4.57 0.00 1.40 2.07 0.00 5.65 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 0.00 100 G 7.70 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 0.00 101 K 7.85 4.18 0.00 1.71 1.87 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.41 7.81 102 K 7.94 4.27 0.00 1.88 1.92 0.00 1.86 0.00 0.00 2.02 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.54 7.81 103 V 7.51 3.75 2.25 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 0.89 0.00 0.00 1.03 0.00 0.00 104 P 0.00 4.69 0.00 2.22 2.13 0.00 3.82 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 1.96 0.00 105 T 8.02 4.42 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 0.00 106 V 7.66 3.86 1.93 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 0.60 0.00 0.00 1.01 0.00 0.00 107 S 8.09 4.57 0.00 3.87 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 0.00 108 R 7.67 4.29 0.00 1.74 1.85 0.00 3.14 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 109 P 0.00 4.27 0.00 2.13 1.88 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 110 Y 7.58 3.92 0.00 3.25 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 0.00 111 S 7.96 4.13 0.00 2.97 3.31 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 0.00 112 F 7.62 5.09 0.00 3.44 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 0.00 113 I 7.94 3.89 1.94 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 1.58 1.07 1.09 0.00 0.00 114 E 8.42 4.28 0.00 2.19 2.17 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 2.47 2.45 0.00 115 F 8.82 4.49 0.00 3.47 3.41 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 0.00 116 D 8.60 4.49 0.00 3.23 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 0.00 117 T 7.74 3.83 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 1.24 0.00 0.00 118 F 8.01 3.98 0.00 2.82 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 0.00 119 I 7.41 3.65 2.14 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.85 1.07 0.00 0.00 120 Q 7.96 4.07 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 121 K 7.75 3.97 0.00 1.88 1.90 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.18 7.81 122 T 7.78 3.96 4.19 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 0.00 0.00 1.40 0.00 0.00 123 K 8.08 3.67 0.00 2.04 1.99 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.25 7.81 124 K 7.81 4.05 0.00 1.77 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.65 7.81 125 L 7.47 4.25 0.00 1.61 1.44 0.90 0.80 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 0.00 126 Y 7.86 4.64 0.00 2.87 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 0.00 127 I 7.13 4.38 1.80 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.57 0.83 0.00 0.00 128 D 7.43 4.93 0.00 2.66 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 0.00 129 S 8.79 4.31 0.00 4.00 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 0.00 130 R 7.95 4.46 0.00 1.89 1.96 0.00 3.13 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 131 A 7.77 4.47 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 0.00 132 R 7.82 3.06 0.00 1.96 1.93 0.00 3.05 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 *148 I 7.82 3.99 1.71 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.44 0.67 0.00 0.00 149 M 7.55 4.26 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 150 V 8.60 5.59 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 1.03 0.00 0.00 0.96 0.00 0.00 151 A 8.33 4.68 1.28 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 0.00 0.00 152 N 8.91 4.96 0.00 2.82 2.81 0.00 0.00 7.20 7.41 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 0.00 153 I 8.70 3.62 1.92 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.16 1.02 0.00 0.00 154 E 8.43 3.93 0.00 1.97 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 2.35 2.36 0.00 155 E 8.72 3.83 0.00 1.92 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 2.33 2.33 0.00 156 V 7.56 3.69 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 0.92 0.00 0.00 0.95 0.00 0.00 157 L 7.55 4.10 0.00 1.80 1.51 0.80 0.68 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 * Residues marked with a * may have inaccurate shift predictions.