NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.5006 8.1927 116.8141 58.5090 64.7092 172.0367 21 D 4.7846 8.1743 121.2350 52.3853 42.5464 175.7779 22 A 4.1864 9.4409 128.3660 55.7313 19.1498 179.3268 23 H 3.9740 8.6017 114.7641 58.9953 28.7619 178.2138 24 V 3.5924 7.7242 119.5831 65.8623 31.4464 177.9460 25 L 3.5011 7.7356 119.6581 57.7584 41.9747 178.6555 26 K 4.2146 8.5384 120.1556 59.5710 32.0354 179.0535 27 S 4.4074 7.8941 115.5588 61.3007 62.6513 176.7518 28 R 3.9403 7.7561 120.8085 59.3902 29.5605 179.0848 29 L 4.2497 7.6372 117.1335 57.8374 41.6799 179.1989 30 E 3.9702 8.0717 117.4664 58.2381 29.6951 177.7248 31 W 4.8345 8.6620 115.5302 56.2480 31.3660 176.0254 32 G 4.1408 8.1715 107.5597 44.0762 0.0000 173.2830 33 E 4.2589 8.5162 118.9259 55.5041 30.4881 176.4971 34 P 4.4194 0.0000 0.0000 62.5102 29.6348 176.0753 35 A 4.7531 7.6961 118.3740 52.0478 20.1043 175.6173 36 F 5.3085 7.2367 113.0624 57.6663 41.9163 173.5900 37 T 4.6838 9.0283 114.4099 62.2635 72.9653 173.2251 38 I 5.0623 8.6238 126.4801 59.7649 40.0724 174.3582 39 L 4.5948 9.0947 126.9529 52.8901 44.2102 175.1455 40 D 3.7612 8.5234 125.0321 52.8690 41.6640 175.9524 41 V 3.9960 8.0126 125.7871 62.0133 32.6167 176.6563 42 R 4.6594 7.9885 121.8766 55.4097 32.5042 175.1714 43 D 4.4119 8.5905 118.7795 54.4770 42.0676 176.7909 44 R 3.9050 8.9358 126.5177 59.9206 29.7400 178.7091 45 S 4.1672 8.1356 111.7727 61.9732 62.9375 176.2908 46 T 4.0484 7.7937 118.6254 66.4202 68.3374 175.5812 47 Y 4.1452 8.1150 121.5704 61.2469 38.7726 178.3888 48 N 4.4723 8.6733 116.7152 55.9276 38.3895 176.3598 49 D 4.8938 8.1931 118.6970 52.9727 41.3921 176.5728 50 G 4.6003 6.5869 116.7070 45.6058 0.0000 171.7107 51 H 5.0071 7.9689 119.6632 54.0627 32.9838 176.7966 52 I 4.1716 7.8509 124.6813 60.8615 35.9563 180.8388 *54 G 3.9277 8.7982 119.2061 46.0596 0.0000 173.8355 55 A 4.9822 7.9644 119.3027 50.9999 18.9688 176.7056 *57 A 3.4442 8.4727 115.1537 51.5236 20.1001 175.1695 *59 P 4.3615 0.0000 0.0000 62.2829 32.8686 177.5620 60 I 3.5240 8.4498 121.0532 64.9117 37.4494 178.3098 61 E 3.9430 8.2037 115.7578 58.0370 29.5247 179.3268 62 D 4.9659 8.0903 116.2891 53.6371 41.9848 177.4395 63 L 3.8778 8.3301 124.1905 58.5623 42.0244 179.7220 64 V 3.7149 7.7201 118.1829 64.5862 31.5297 177.9889 65 D 4.2783 7.9829 119.2003 57.3511 40.4357 178.2021 66 R 3.8662 8.1493 119.0254 59.4747 29.9311 178.4453 67 A 3.8174 8.3562 120.8869 55.2181 18.3207 179.8663 68 S 4.3343 8.0537 111.4022 61.1183 63.1306 175.8818 69 S 4.5444 7.9098 115.3733 58.9663 63.3901 174.3915 70 S 4.5432 7.5837 116.7083 58.6463 64.1444 173.4730 71 L 4.7040 8.1524 118.1673 52.2649 44.6251 175.6547 72 E 4.2506 8.4112 121.2545 55.8434 30.4433 177.9652 73 K 4.0295 8.6806 124.4779 58.3933 32.2861 178.2191 74 S 4.7364 7.8640 111.9340 57.6462 63.4541 173.9963 75 R 4.0370 7.7971 122.2191 56.2374 30.4921 175.7269 76 D 4.6345 8.7595 125.3089 54.6968 42.0601 175.1911 77 I 5.0278 8.8187 124.3687 59.6029 41.2488 173.9244 78 Y 5.0816 9.1112 124.2572 56.2436 40.6022 174.9486 79 V 5.0314 8.9168 124.4420 61.4070 35.2618 173.8878 80 Y 5.0641 8.3380 123.0324 56.1848 41.3917 174.1280 81 G 4.5754 8.8386 113.9054 44.2140 0.0000 172.2335 82 A 4.1391 8.7930 122.0018 54.4258 18.9011 177.6553 83 G 4.2901 7.7599 105.1192 43.7592 0.0000 173.4590 84 D 4.4688 8.5581 119.8442 57.9223 39.6286 174.5642 85 E 4.0996 8.1028 119.1958 59.7189 29.8107 178.6585 86 Q 3.9763 8.0545 118.9874 59.2912 29.1056 178.1959 87 T 3.8989 7.8637 116.7930 66.6915 68.4885 176.9153 88 S 4.2811 8.5019 116.4939 61.2419 63.0633 176.2792 89 Q 3.9089 8.3350 123.3589 58.9269 28.8105 177.9657 90 A 3.9812 8.1698 121.9622 54.9609 18.4477 179.7427 91 V 3.5248 7.9343 116.8400 66.1951 31.5816 178.0348 92 N 4.3321 8.4224 116.3741 56.3986 38.3561 177.1288 93 L 3.9865 7.9891 120.3044 58.1835 41.6418 179.7614 94 L 4.2722 8.1301 118.5316 57.4767 41.5310 179.7949 95 R 4.3615 8.3050 119.8086 58.8855 29.8828 179.1670 96 S 4.1746 8.0657 112.4570 61.3757 63.0340 175.9470 97 A 4.1440 7.6575 122.4916 52.9489 18.1882 178.0228 98 G 3.9036 8.2033 104.9349 44.9977 0.0000 174.4792 99 F 4.0707 8.5339 120.6364 57.6120 39.4826 176.0654 100 E 3.9669 9.1321 126.2084 59.5126 29.7806 177.5414 101 H 4.8474 8.0970 117.8174 53.5575 28.5968 171.7798 102 V 4.7417 7.8480 119.7075 60.9115 33.8546 174.5899 103 S 4.8375 9.0948 123.1173 56.7001 66.5263 173.7566 104 E 4.7211 8.8708 122.6887 56.0412 31.1073 176.0439 105 L 4.7942 8.4103 122.8342 53.0155 43.9320 175.8256 106 K 4.0118 8.7385 126.6876 58.3133 32.4951 177.8668 107 G 3.9029 9.1051 111.0248 44.6183 0.0000 174.3674 108 G 3.8997 8.1069 108.8200 45.9868 0.0000 175.4579 109 L 3.7028 8.5376 118.7731 57.9735 42.1567 179.1361 110 A 3.9819 8.0919 120.0342 55.3716 18.1603 179.3341 111 A 3.9604 8.3341 119.4256 54.9081 18.3350 179.6024 112 W 4.0845 8.0336 126.4956 60.7144 30.8306 178.4374 113 K 3.8842 8.5171 118.1245 58.9947 31.2520 179.2469 114 A 4.0538 7.8731 120.8593 54.1668 18.2698 178.5775 115 I 4.1468 6.9615 108.0544 60.4371 37.9638 176.1047 116 G 3.6529 7.7557 107.9048 46.1247 0.0000 174.2166 117 G 2.3392 7.3305 109.2223 43.5633 0.0000 172.7740 118 P 4.4938 0.0000 0.0000 62.7908 32.3036 175.6051 119 T 4.9457 8.3310 117.2575 61.7854 71.7848 172.9242 120 E 4.6479 9.0206 124.7593 54.5167 32.9359 174.8124 121 G 4.4491 8.4033 111.4672 44.9563 0.0000 171.7001 122 I 4.6123 8.5640 122.2589 59.5124 39.1849 176.5799 123 I 4.2540 7.6692 116.4949 60.4642 37.3014 176.2233 *136 V 4.2152 7.7705 119.9555 61.9223 34.0629 180.3180 137 V 3.6386 7.7396 112.3079 63.8858 32.0851 178.0147 138 S 4.2349 8.0400 115.7280 61.5559 63.1041 176.1588 139 R 3.9361 7.4530 117.5520 57.1902 29.5465 177.8984 *141 Q 4.3116 8.2118 116.6224 55.7250 30.8792 177.3958 142 N 4.2873 8.2184 115.0853 56.5773 38.2992 176.8573 143 H 4.0884 8.0433 118.2530 59.4706 30.1452 176.9626 144 L 4.1432 7.8816 120.1528 57.7287 41.6831 179.0361 145 E 3.9576 8.2840 118.6316 59.4077 29.1988 178.6136 146 N 4.6349 8.1463 114.1785 54.6721 38.8077 176.1866 147 Q 4.3637 7.7295 118.5660 54.7099 29.9534 176.0056 148 K 4.0368 7.3052 120.9029 55.9949 32.8544 177.1409 149 K 3.7646 8.7438 123.8994 60.3212 31.8753 178.6771 150 E 4.4398 8.0538 118.2275 58.9330 29.0660 179.0601 151 V 4.0232 7.5101 119.8970 64.8972 31.5535 177.9052 152 L 4.1386 8.1992 119.1887 57.5976 41.3269 179.1004 153 E 3.9610 8.2715 118.6006 59.8626 29.2424 178.9642 154 H 4.9209 7.7332 117.6700 59.0709 29.9110 176.5689 155 H 4.4717 7.8596 118.2719 58.6148 28.7355 176.2339 *156 H 4.6142 7.8276 124.8009 56.7653 28.1232 178.8213 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 20 S 8.19 4.50 0.00 4.22 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 21 D 8.17 4.78 0.00 2.87 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 9.44 4.19 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 H 8.60 3.97 0.00 3.35 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.72 3.59 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 0.99 0.00 0.00 0.95 0.00 0.00 25 L 7.74 3.50 0.00 1.42 1.86 -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.54 4.21 0.00 1.56 1.86 0.00 0.90 0.00 0.00 1.26 0.00 0.00 2.67 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.14 7.81 27 S 7.89 4.41 0.00 4.13 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 28 R 7.76 3.94 0.00 1.36 1.28 0.00 3.28 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.22 0.00 29 L 7.64 4.25 0.00 1.97 1.88 1.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.07 3.97 0.00 1.84 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 2.17 2.47 0.00 31 W 8.66 4.83 0.00 3.18 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 32 G 8.17 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.52 4.26 0.00 2.08 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 2.37 2.38 0.00 34 P 0.00 4.42 0.00 2.08 2.04 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 35 A 7.70 4.75 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 36 F 7.24 5.31 0.00 3.32 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 37 T 9.03 4.68 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 1.18 0.00 0.00 38 I 8.62 5.06 2.00 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 1.56 1.26 1.13 0.00 0.00 39 L 9.09 4.59 0.00 1.44 1.40 0.84 0.62 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 40 D 8.52 3.76 0.00 2.62 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 41 V 8.01 4.00 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 0.61 0.00 0.00 0.87 0.00 0.00 42 R 7.99 4.66 0.00 1.95 1.96 0.00 3.30 0.00 0.00 3.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 43 D 8.59 4.41 0.00 2.69 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 44 R 8.94 3.91 0.00 1.92 1.93 0.00 3.17 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 1.68 1.70 0.00 45 S 8.14 4.17 0.00 4.09 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 46 T 7.79 4.05 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 1.27 0.00 0.00 47 Y 8.11 4.15 0.00 3.06 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 48 N 8.67 4.47 0.00 3.01 2.92 0.00 0.00 7.09 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 49 D 8.19 4.89 0.00 2.77 2.72 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 50 G 6.59 4.60 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 0.00 51 H 7.97 5.01 0.00 3.18 3.15 0.00 5.27 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.85 4.17 1.58 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.04 0.03 0.00 0.00 *54 G 8.80 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 55 A 7.96 4.98 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 0.00 0.00 *57 A 8.47 3.44 0.16 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 0.00 0.00 *59 P 0.00 4.36 0.00 2.06 1.98 0.00 3.82 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 60 I 8.45 3.52 1.85 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 1.13 1.13 0.88 0.00 0.00 61 E 8.20 3.94 0.00 2.00 1.95 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 2.24 1.95 0.00 62 D 8.09 4.97 0.00 2.64 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 63 L 8.33 3.88 0.00 1.67 1.76 0.80 0.78 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 64 V 7.72 3.71 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 0.78 0.00 0.00 0.98 0.00 0.00 65 D 7.98 4.28 0.00 2.71 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 66 R 8.15 3.87 0.00 1.93 1.96 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 67 A 8.36 3.82 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 68 S 8.05 4.33 0.00 4.08 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 69 S 7.91 4.54 0.00 4.13 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 70 S 7.58 4.54 0.00 3.71 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 71 L 8.15 4.70 0.00 1.67 1.62 0.88 0.94 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 72 E 8.41 4.25 0.00 2.09 1.86 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 2.40 2.42 0.00 73 K 8.68 4.03 0.00 1.71 1.61 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.14 7.81 74 S 7.86 4.74 0.00 3.96 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 75 R 7.80 4.04 0.00 1.93 2.03 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 76 D 8.76 4.63 0.00 2.98 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.82 5.03 1.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.04 0.82 0.00 0.00 78 Y 9.11 5.08 0.00 2.96 2.89 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 79 V 8.92 5.03 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 0.94 0.00 0.00 0.86 0.00 0.00 80 Y 8.34 5.06 0.00 3.08 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 81 G 8.84 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.79 4.14 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 83 G 7.76 4.29 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 0.00 84 D 8.56 4.47 0.00 2.70 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 85 E 8.10 4.10 0.00 2.04 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 2.39 2.38 0.00 86 Q 8.05 3.98 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 87 T 7.86 3.90 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 1.31 0.00 0.00 88 S 8.50 4.28 0.00 4.03 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 0.00 89 Q 8.33 3.91 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 90 A 8.17 3.98 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 91 V 7.93 3.52 2.23 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 1.03 0.00 0.00 1.00 0.00 0.00 92 N 8.42 4.33 0.00 2.90 2.86 0.00 0.00 7.05 7.59 0.00 0.00 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 L 7.99 3.99 0.00 1.88 1.75 0.92 0.50 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 94 L 8.13 4.27 0.00 1.84 1.74 0.70 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.31 4.36 0.00 2.06 1.99 0.00 3.15 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 96 S 8.07 4.17 0.00 4.03 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 97 A 7.66 4.14 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.20 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 99 F 8.53 4.07 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.13 3.97 0.00 2.06 1.84 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 0.00 2.32 2.38 0.00 101 H 8.10 4.85 0.00 3.09 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.85 4.74 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 0.74 0.00 0.00 0.92 0.00 0.00 103 S 9.09 4.84 0.00 3.58 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 0.00 104 E 8.87 4.72 0.00 1.91 1.95 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 2.35 2.33 0.00 105 L 8.41 4.79 0.00 1.89 1.77 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.74 4.01 0.00 2.04 1.81 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.46 7.81 107 G 9.11 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 0.00 108 G 8.11 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 0.00 109 L 8.54 3.70 0.00 1.72 1.68 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.09 3.98 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 0.00 111 A 8.33 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 0.00 112 W 8.03 4.08 0.00 3.29 3.19 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 0.00 113 K 8.52 3.88 0.00 1.98 1.83 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.80 7.81 114 A 7.87 4.05 1.32 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 0.00 0.00 115 I 6.96 4.15 1.56 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.20 0.69 0.00 0.00 116 G 7.76 3.65 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 0.00 0.00 0.00 117 G 7.33 2.34 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 0.00 118 P 0.00 4.49 0.00 2.25 2.07 0.00 3.62 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 2.24 2.04 0.00 119 T 8.33 4.95 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 1.19 0.00 0.00 120 E 9.02 4.65 0.00 1.88 1.45 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 2.08 2.17 0.00 121 G 8.40 4.45 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 0.00 0.00 0.00 122 I 8.56 4.61 1.92 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 1.35 0.55 0.94 0.00 0.00 123 I 7.67 4.25 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 1.27 0.27 0.91 0.00 0.00 *136 V 7.77 4.22 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 0.78 0.00 0.00 0.93 0.00 0.00 137 V 7.74 3.64 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 0.88 0.00 0.00 0.96 0.00 0.00 138 S 8.04 4.23 0.00 3.88 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 0.00 139 R 7.45 3.94 0.00 1.80 2.03 0.00 3.10 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 *141 Q 8.21 4.31 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 142 N 8.22 4.29 0.00 2.74 2.85 0.00 0.00 6.71 7.63 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 0.00 143 H 8.04 4.09 0.00 3.27 3.36 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.88 4.14 0.00 1.72 1.71 1.00 1.00 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 0.00 145 E 8.28 3.96 0.00 2.23 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 2.30 2.44 0.00 146 N 8.15 4.63 0.00 2.78 2.83 0.00 0.00 6.99 7.25 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 0.00 147 Q 7.73 4.36 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 148 K 7.31 4.04 0.00 1.84 1.94 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.60 7.81 149 K 8.74 3.76 0.00 1.83 1.78 0.00 1.61 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.58 7.81 150 E 8.05 4.44 0.00 2.18 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 2.33 2.14 0.00 151 V 7.51 4.02 2.27 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 1.41 0.00 0.00 0.96 0.00 0.00 152 L 8.20 4.14 0.00 1.90 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.27 3.96 0.00 2.20 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 2.59 0.00 154 H 7.73 4.92 0.00 3.09 3.45 0.00 5.59 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 H 7.86 4.47 0.00 3.20 3.33 0.00 5.89 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 *156 H 7.83 4.61 0.00 2.95 2.82 0.00 7.23 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.