NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 M 4.4219 8.2893 120.3476 54.6741 34.2451 174.9363 12 V 4.2457 7.4276 117.5543 57.6637 33.4584 174.2323 13 S 4.2881 9.3176 118.7059 58.1781 64.2299 175.4569 14 K 4.2165 8.4102 120.5228 56.5417 32.5094 176.1929 15 I 4.4132 7.8618 120.4661 58.9994 40.2694 175.5590 16 K 2.7137 8.3895 128.7733 58.4925 32.5260 176.2762 17 N 5.4328 8.3688 115.3452 50.1891 43.2248 173.5836 18 G 4.0647 7.4625 111.2079 46.1292 0.0000 171.4586 19 T 5.0521 8.4087 120.2971 61.5778 72.3153 173.2723 20 V 4.6475 8.9786 125.9305 61.1808 34.4595 174.1724 21 I 4.7952 8.9020 129.8276 60.0556 38.7808 174.6127 22 D 4.8880 8.9060 127.3785 52.4089 43.9936 175.2259 23 H 4.3015 8.3024 114.2808 56.7432 26.3586 174.9987 24 I 4.1411 7.3358 119.5827 59.9334 38.0506 174.3666 25 P 4.3665 0.0000 0.0000 62.4920 31.7865 175.5185 26 A 4.2448 8.5190 123.7593 54.4025 18.4223 178.2311 27 G 4.0319 9.4337 110.9346 45.9509 0.0000 174.6296 28 R 4.4445 7.8155 117.5099 56.0271 30.4037 177.7310 29 A 3.8950 8.3164 123.0935 55.2760 18.3572 179.9104 30 F 4.1918 7.7335 115.4230 60.7547 38.9850 177.6201 31 A 4.0817 8.1002 119.9419 54.8809 18.2110 179.5881 32 V 3.5187 7.7378 116.8851 66.2123 31.6471 178.1006 33 L 3.9963 7.8820 118.5523 57.9575 41.4153 179.1272 34 N 4.3106 8.0938 116.0608 56.6770 38.3643 177.3550 35 V 3.5768 7.9107 118.2252 65.9339 31.5725 177.1279 36 L 4.4363 7.7783 115.7812 54.0680 41.8923 177.5423 37 G 3.8388 8.0348 107.2749 45.8638 0.0000 173.6319 38 I 4.3371 7.7152 120.8725 60.6700 37.2976 176.4099 39 K 5.1161 8.2057 135.0000 57.0905 34.8554 174.8569 *42 E 3.6154 7.9986 116.8707 57.3393 30.6372 175.6297 43 G 4.2304 8.4036 116.5113 45.9667 0.0000 174.1108 44 F 4.5470 6.4694 115.7681 55.2057 39.2908 175.4859 45 R 4.1968 8.6310 121.7658 56.9496 31.0668 175.5982 46 I 5.3138 8.3770 122.1904 59.5353 41.2547 174.4739 47 A 4.8544 9.3673 127.3510 50.1047 22.0584 174.9878 48 L 5.2458 8.5421 120.3797 52.9207 45.6238 176.3357 49 V 4.5167 8.4644 114.9770 59.5839 35.0045 174.7034 50 I 4.7383 8.0090 124.3799 60.1600 40.1292 175.1138 51 N 4.3152 9.1155 122.6028 54.2962 36.4762 175.0392 52 V 4.0490 7.3479 111.0743 60.7510 33.1490 175.6094 53 D 4.9239 8.5142 122.0118 54.9418 41.8650 176.2195 54 S 4.4876 8.8594 116.1296 56.8018 65.3100 174.9875 55 K 4.0139 9.0587 127.1130 59.3316 32.0851 178.3003 56 K 4.2510 7.9847 116.1241 57.7313 32.5197 177.1641 57 M 4.4223 7.9307 115.5991 54.3385 32.9455 175.7390 58 G 3.9975 7.8213 113.1033 43.9948 0.0000 172.9827 59 K 5.3050 7.4346 119.4138 53.7821 36.5205 174.7285 60 K 4.7961 9.0865 120.7826 56.2929 36.6733 174.0722 61 D 5.3619 9.1064 118.9846 52.5560 44.9579 175.4368 62 I 4.8338 8.3846 121.1759 59.5321 41.1316 174.5914 63 V 4.8748 8.9006 126.2134 61.0286 34.6932 174.4437 64 K 5.0025 9.2699 125.9971 54.7824 35.9862 175.1377 65 I 4.8784 8.6279 126.6290 59.2463 39.3038 175.3127 66 E 4.2810 8.9357 127.5418 57.0138 30.5985 177.4555 67 D 4.4523 9.1167 121.2495 54.7306 39.1741 173.6166 68 K 4.2270 7.4600 118.0323 54.5453 34.7206 175.4719 69 E 4.3967 8.4878 125.9197 54.2948 29.6874 175.8116 70 I 3.8921 8.0228 126.1373 61.2724 37.8602 177.0026 71 S 4.4585 8.4692 119.8675 57.5655 64.1126 174.8592 72 D 4.5834 8.6880 120.8915 58.0353 40.0976 179.3565 73 T 3.8750 7.7580 115.0911 66.4721 68.7514 175.7992 74 E 4.0915 8.2962 120.0478 59.6429 29.5488 179.5018 75 A 4.0156 8.4773 120.6227 55.4929 18.6312 179.4081 76 N 4.2409 8.2228 114.7228 56.4871 38.2061 177.4741 77 L 4.0546 7.7314 120.2649 57.8513 41.6300 179.5643 78 I 3.7631 7.9870 120.3036 64.3390 36.7571 178.3643 79 T 4.1845 7.5555 109.4893 64.4771 68.4647 176.1260 80 L 4.1493 7.5517 121.4767 56.7992 41.6751 177.6901 81 I 4.4337 7.7168 108.4090 60.3660 40.0411 175.2952 82 A 4.7234 8.4552 124.3749 50.1188 18.6773 175.0611 83 P 4.4102 0.0000 0.0000 64.9854 32.1595 178.9664 84 T 3.9197 7.8739 107.9149 63.7167 69.0082 174.4752 85 A 4.7406 8.1842 124.3527 51.8151 19.3176 176.9362 86 T 4.6754 8.8447 109.1485 59.8857 72.3220 172.8400 87 I 4.8280 8.3671 124.5973 59.6609 40.2179 173.9167 88 N 5.2665 9.3494 124.9653 51.4767 41.5971 173.5610 89 I 4.6895 8.4404 124.6545 59.9261 39.4454 174.7550 90 V 4.7833 9.2787 128.0045 61.1303 34.1200 174.4476 91 R 4.7769 8.8469 126.4874 55.0006 33.8778 175.1598 92 E 3.7876 10.7800 123.3034 57.2514 28.7474 174.6043 93 Y 4.1234 8.0083 115.0271 57.1559 37.2679 169.0179 94 E 4.4040 8.1827 120.3566 54.5099 30.7222 175.5982 95 V 4.1298 8.3300 123.2264 63.5180 31.0779 175.6981 96 V 4.1849 8.3431 120.9521 61.2542 32.3761 176.3738 97 K 4.2156 7.2960 119.1337 55.6531 35.3772 173.9333 98 K 5.4935 8.5080 125.7988 52.5704 32.4856 174.8033 99 T 3.8054 8.2800 118.3077 63.9088 69.4731 173.5448 100 K 4.1848 8.5873 126.9144 54.9122 31.7794 176.2390 101 L 4.2570 8.3799 127.3535 54.8572 42.0600 176.7526 102 E 4.7448 9.1580 122.8089 53.8535 33.0556 175.9225 103 V 3.6992 8.2418 121.1789 62.1236 31.9457 174.2887 104 P 4.5038 0.0000 0.0000 62.4886 32.3463 176.5177 105 K 4.2204 8.7605 120.4354 59.0057 33.1100 177.0889 106 V 4.9168 7.7072 117.4417 60.9386 34.8579 175.1740 107 V 4.3669 9.4074 126.8061 61.1806 34.1463 173.8047 108 K 4.7879 9.0341 129.9193 56.4083 33.1774 174.0999 109 G 4.4095 9.1900 118.7884 46.2714 0.0000 174.7970 110 I 3.8490 7.7001 119.0827 63.2067 37.3506 176.3245 111 L 4.7424 7.6837 118.5621 52.8113 43.3066 176.3594 112 K 4.4605 8.8097 122.9376 55.5369 32.5745 175.7897 113 C 4.8863 8.4917 121.3319 57.6779 32.2635 172.8920 114 P 4.2398 0.0000 0.0000 64.8960 31.4145 175.7633 115 N 4.4989 7.7923 119.5041 52.6266 38.3812 173.6189 116 P 4.2066 0.0000 0.0000 65.2304 31.4404 176.6951 117 Y 4.3455 8.4770 115.4593 58.0541 38.5351 175.4317 118 C 4.2495 8.0963 122.3154 59.0204 32.3631 173.9214 119 I 3.6066 8.6461 127.0645 64.4181 37.5665 177.6500 120 T 4.3054 7.4899 107.7929 63.3754 68.6213 174.7101 121 S 4.6359 7.9993 117.5016 58.6149 63.1970 174.2127 122 N 4.6903 7.8219 115.6942 53.8518 41.9444 173.9729 123 D 4.6968 8.1878 118.9559 52.3757 41.8534 177.0471 124 V 3.6105 8.5614 120.8591 64.6141 31.6186 177.1602 125 E 4.1140 8.6441 116.7923 57.0679 29.9945 176.9853 126 A 4.2010 8.0130 123.8831 50.6845 17.3923 175.1949 127 I 4.2363 7.8320 121.3833 60.3848 38.1516 174.6508 128 P 4.4095 0.0000 0.0000 63.8823 32.5865 175.5634 129 T 5.2755 8.4985 119.1822 62.3098 72.9673 172.5885 130 F 5.0739 9.5703 125.4261 55.3960 42.7372 174.0101 131 K 4.9607 8.8991 124.6792 54.5832 34.3560 175.4250 132 T 4.1882 9.0329 125.2740 64.4374 68.3327 173.5866 133 L 4.5270 9.1801 129.5726 56.6842 43.3129 176.9170 134 T 4.7238 7.5560 107.6078 59.8362 71.7035 174.4226 135 E 4.1416 8.8879 123.8815 58.7576 31.5931 178.5400 136 K 3.6116 8.7499 110.9021 58.9102 30.9501 176.6116 137 P 4.2385 0.0000 0.0000 62.7788 32.3293 176.4113 138 L 4.3001 8.5995 126.0358 55.3034 43.2040 175.4946 139 K 4.9016 8.9422 126.1846 54.8767 35.7035 175.5099 140 M 5.2933 9.3466 124.0209 53.4741 36.1270 174.5179 141 R 5.1685 9.0976 121.6129 54.3753 33.4621 174.3002 142 C 3.3786 9.2059 127.6947 59.4200 31.9853 173.9701 143 E 3.9556 8.7283 125.7718 58.4520 29.0314 177.5706 144 Y 4.2208 7.9786 116.6971 59.3098 38.5878 176.0864 145 C 4.6679 7.7811 111.0299 57.1207 30.9795 174.7937 146 E 4.0872 8.3935 118.8951 56.8245 27.5486 174.5423 147 T 4.1236 7.3260 116.5862 63.9605 69.6271 173.1564 148 I 5.1543 8.4257 126.1881 59.7045 39.2761 175.0018 149 I 4.7160 9.1381 120.1863 59.1412 40.8747 174.7579 150 D 5.2599 8.3032 123.6470 51.0579 42.1077 176.5813 151 E 3.9111 8.8114 118.0688 59.4676 29.3017 178.2000 152 N 4.2570 8.1489 115.9413 56.5104 38.8050 176.8102 153 E 4.1047 8.5328 121.8538 58.5743 29.5279 178.9086 154 I 3.5646 7.7654 119.9029 64.7639 37.1925 178.3795 155 M 4.0894 8.4423 120.1271 58.3137 31.9707 178.9867 156 S 4.2417 8.6092 114.4832 60.9921 62.9200 176.5864 157 Q 4.0584 7.7123 121.5209 58.4771 28.5504 177.6539 158 I 4.1126 7.2199 119.4468 63.6184 37.8765 177.9439 159 L 4.2260 8.0314 119.2040 57.6331 41.6376 177.3728 160 G 3.5672 7.2652 110.3042 45.1546 0.0000 173.2106 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 11 M 8.29 4.42 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 12 V 7.43 4.25 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 0.80 0.00 0.00 0.93 0.00 0.00 13 S 9.32 4.29 0.00 4.03 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 14 K 8.41 4.22 0.00 1.91 1.90 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.42 7.81 15 I 7.86 4.41 1.85 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 1.29 0.82 0.87 0.00 0.00 16 K 8.39 2.71 0.00 1.40 1.49 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.09 0.48 7.81 17 N 8.37 5.43 0.00 2.52 2.54 0.00 0.00 6.96 7.83 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 18 G 7.46 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 0.00 0.00 0.00 19 T 8.41 5.05 4.17 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 1.22 0.00 0.00 20 V 8.98 4.65 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 0.88 0.00 0.00 0.91 0.00 0.00 21 I 8.90 4.80 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.46 0.90 0.00 0.00 22 D 8.91 4.89 0.00 2.65 2.48 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 23 H 8.30 4.30 0.00 3.46 3.35 0.00 5.86 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.34 4.14 1.98 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 1.28 0.65 0.88 0.00 0.00 25 P 0.00 4.37 0.00 2.17 2.00 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 26 A 8.52 4.24 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 27 G 9.43 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 28 R 7.82 4.44 0.00 2.03 1.96 0.00 3.14 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 29 A 8.32 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.73 4.19 0.00 3.21 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 31 A 8.10 4.08 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 32 V 7.74 3.52 2.22 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 1.01 0.00 0.00 0.98 0.00 0.00 33 L 7.88 4.00 0.00 2.03 1.88 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.09 4.31 0.00 2.99 2.91 0.00 0.00 6.68 7.65 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 35 V 7.91 3.58 2.32 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 0.84 0.00 0.00 0.94 0.00 0.00 36 L 7.78 4.44 0.00 1.84 1.71 0.92 0.98 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 37 G 8.03 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.72 4.34 1.97 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 1.57 0.89 1.13 0.00 0.00 39 K 8.21 5.12 0.00 1.81 1.83 0.00 1.96 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.28 7.81 *42 E 8.00 3.62 0.00 1.83 1.76 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 2.09 2.18 0.00 43 G 8.40 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 0.00 0.00 0.00 0.00 44 F 6.47 4.55 0.00 3.23 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 45 R 8.63 4.20 0.00 1.89 1.94 0.00 3.14 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 46 I 8.38 5.31 1.94 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 1.47 0.99 1.01 0.00 0.00 47 A 9.37 4.85 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 0.00 0.00 0.00 0.00 0.00 48 L 8.54 5.25 0.00 1.35 1.51 0.50 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.46 4.52 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 0.69 0.00 0.00 0.89 0.00 0.00 50 I 8.01 4.74 1.85 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.40 0.97 0.00 0.00 51 N 9.12 4.32 0.00 2.92 2.97 0.00 0.00 7.07 6.96 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 52 V 7.35 4.05 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 0.65 0.00 0.00 0.96 0.00 0.00 53 D 8.51 4.92 0.00 2.56 2.60 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 54 S 8.86 4.49 0.00 3.86 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 55 K 9.06 4.01 0.00 1.78 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.53 7.81 56 K 7.98 4.25 0.00 1.74 1.85 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 57 M 7.93 4.42 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 58 G 7.82 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 0.00 0.00 0.00 59 K 7.43 5.30 0.00 1.61 1.69 0.00 1.95 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.34 7.81 60 K 9.09 4.80 0.00 1.84 1.88 0.00 1.24 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.51 7.81 61 D 9.11 5.36 0.00 2.53 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 62 I 8.38 4.83 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.86 0.87 0.00 0.00 63 V 8.90 4.87 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 0.97 0.00 0.00 0.85 0.00 0.00 64 K 9.27 5.00 0.00 1.63 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.36 7.81 65 I 8.63 4.88 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.64 0.00 0.00 66 E 8.94 4.28 0.00 2.10 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 2.30 2.30 0.00 67 D 9.12 4.45 0.00 2.78 2.74 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 68 K 7.46 4.23 0.00 1.04 1.17 0.00 1.42 0.00 0.00 1.02 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.06 1.17 7.81 69 E 8.49 4.40 0.00 1.93 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 2.16 2.24 0.00 70 I 8.02 3.89 1.83 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 1.32 0.29 0.90 0.00 0.00 71 S 8.47 4.46 0.00 3.94 3.97 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 72 D 8.69 4.58 0.00 2.73 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 73 T 7.76 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 1.22 0.00 0.00 74 E 8.30 4.09 0.00 2.14 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 0.00 2.34 2.35 0.00 75 A 8.48 4.02 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 76 N 8.22 4.24 0.00 2.90 2.97 0.00 0.00 7.09 6.24 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 77 L 7.73 4.05 0.00 1.81 1.74 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.99 3.76 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 1.58 0.52 0.91 0.00 0.00 79 T 7.56 4.18 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 1.30 0.00 0.00 80 L 7.55 4.15 0.00 1.71 1.76 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.72 4.43 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.91 0.00 0.00 82 A 8.46 4.72 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 83 P 0.00 4.41 0.00 2.19 2.31 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 84 T 7.87 3.92 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 85 A 8.18 4.74 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 86 T 8.84 4.68 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 1.21 0.00 0.00 87 I 8.37 4.83 1.86 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 1.33 1.02 0.89 0.00 0.00 88 N 9.35 5.27 0.00 2.72 2.68 0.00 0.00 6.51 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 89 I 8.44 4.69 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.02 0.96 0.00 0.00 90 V 9.28 4.78 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 1.01 0.00 0.00 0.91 0.00 0.00 91 R 8.85 4.78 0.00 1.67 1.73 0.00 3.49 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 92 E 10.78 3.79 0.00 2.03 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 2.28 2.42 0.00 93 Y 8.01 4.12 0.00 3.09 3.36 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 94 E 8.18 4.40 0.00 2.09 1.88 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 2.34 2.41 0.00 95 V 8.33 4.13 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 0.87 0.00 0.00 0.94 0.00 0.00 96 V 8.34 4.18 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 0.76 0.00 0.00 0.97 0.00 0.00 97 K 7.30 4.22 0.00 1.76 1.56 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 98 K 8.51 5.49 0.00 1.62 1.69 0.00 1.89 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.27 7.81 99 T 8.28 3.81 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 1.25 0.00 0.00 100 K 8.59 4.18 0.00 1.71 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.45 7.81 101 L 8.38 4.26 0.00 1.67 1.60 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 102 E 9.16 4.74 0.00 1.86 1.81 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 2.22 2.20 0.00 103 V 8.24 3.70 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 0.82 0.00 0.00 0.93 0.00 0.00 104 P 0.00 4.50 0.00 2.24 2.05 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 105 K 8.76 4.22 0.00 1.75 1.91 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.45 7.81 106 V 7.71 4.92 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 0.81 0.00 0.00 0.94 0.00 0.00 107 V 9.41 4.37 2.18 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 1.02 0.00 0.00 0.97 0.00 0.00 108 K 9.03 4.79 0.00 1.83 1.72 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.48 7.81 109 G 9.19 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 0.00 0.00 0.00 0.00 110 I 7.70 3.85 1.89 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 1.44 0.87 0.92 0.00 0.00 111 L 7.68 4.74 0.00 1.47 1.27 0.71 0.76 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 0.00 112 K 8.81 4.46 0.00 1.74 1.77 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.38 7.81 113 C 8.49 4.89 0.00 3.17 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 0.00 114 P 0.00 4.24 0.00 2.26 2.19 0.00 4.07 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 2.08 2.00 0.00 115 N 7.79 4.50 0.00 3.10 2.85 0.00 0.00 6.77 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 0.00 116 P 0.00 4.21 0.00 1.74 2.01 0.00 3.87 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 1.80 1.92 0.00 117 Y 8.48 4.35 0.00 3.15 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 0.00 118 C 8.10 4.25 0.00 3.05 2.88 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 0.00 119 I 8.65 3.61 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.13 0.67 0.00 0.00 120 T 7.49 4.31 4.26 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 0.70 0.00 0.00 121 S 8.00 4.64 0.00 3.96 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 0.00 122 N 7.82 4.69 0.00 2.61 2.75 0.00 0.00 6.89 8.06 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 0.00 123 D 8.19 4.70 0.00 2.61 2.46 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 0.00 124 V 8.56 3.61 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 0.75 0.00 0.00 0.92 0.00 0.00 125 E 8.64 4.11 0.00 2.07 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 2.31 2.24 0.00 126 A 8.01 4.20 1.11 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 0.00 0.00 127 I 7.83 4.24 1.90 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 1.42 0.57 0.95 0.00 0.00 128 P 0.00 4.41 0.00 2.36 2.17 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 129 T 8.50 5.28 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 1.33 0.00 0.00 130 F 9.57 5.07 0.00 3.01 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 0.00 131 K 8.90 4.96 0.00 1.89 1.65 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.38 7.81 132 T 9.03 4.19 4.26 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 1.23 0.00 0.00 133 L 9.18 4.53 0.00 1.62 1.82 0.93 0.91 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 0.00 134 T 7.56 4.72 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 0.00 135 E 8.89 4.14 0.00 1.99 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 0.00 2.31 2.33 0.00 136 K 8.75 3.61 0.00 2.00 1.60 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.46 1.04 7.81 137 P 0.00 4.24 0.00 2.18 2.08 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 138 L 8.60 4.30 0.00 1.80 1.61 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.94 4.90 0.00 1.71 1.67 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.54 7.81 140 M 9.35 5.29 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 141 R 9.10 5.17 0.00 1.85 1.74 0.00 3.09 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 142 C 9.21 3.38 0.00 2.25 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 0.00 143 E 8.73 3.96 0.00 1.50 1.61 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 2.21 2.28 0.00 144 Y 7.98 4.22 0.00 2.93 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 0.00 145 C 7.78 4.67 0.00 3.11 3.18 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 0.00 0.00 0.00 146 E 8.39 4.09 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 2.21 2.40 0.00 147 T 7.33 4.12 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 1.32 0.00 0.00 148 I 8.43 5.15 1.92 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 1.46 0.60 1.01 0.00 0.00 149 I 9.14 4.72 1.76 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.09 0.88 0.00 0.00 150 D 8.30 5.26 0.00 2.81 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 0.00 151 E 8.81 3.91 0.00 2.09 1.99 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 2.37 2.46 0.00 152 N 8.15 4.26 0.00 2.96 2.84 0.00 0.00 6.78 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 0.00 153 E 8.53 4.10 0.00 2.13 1.88 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 2.29 2.34 0.00 154 I 7.77 3.56 1.99 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 0.61 0.86 0.00 0.00 155 M 8.44 4.09 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.53 0.00 156 S 8.61 4.24 0.00 3.99 4.11 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 0.00 157 Q 7.71 4.06 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 158 I 7.22 4.11 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.49 0.92 0.00 0.00 159 L 8.03 4.23 0.00 1.70 1.74 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 160 G 7.27 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.