NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8742 8.3093 115.8519 56.6431 40.2693 175.5930 11 H 4.4316 6.9715 116.0275 56.1191 29.7121 173.3533 12 E 3.8749 8.2699 120.4724 58.2622 30.1372 178.6754 13 M 4.6134 7.6830 115.4491 55.5240 32.4607 177.1208 14 R 4.5538 8.0934 117.7143 55.8604 33.1229 175.8408 15 E 4.0051 8.1191 117.0978 55.2602 29.9391 174.6964 16 P 4.1956 0.0000 0.0000 62.8632 32.6221 174.2906 17 R 4.0348 7.4470 115.1529 56.2066 33.2572 173.0855 18 I 4.6696 8.3002 119.7659 60.0144 38.2249 175.7810 19 E 4.2583 9.5071 129.8537 58.6441 30.1053 176.6989 20 K 4.7525 7.5900 115.8847 55.8606 36.1386 174.3432 21 V 4.6257 8.6410 121.7956 61.3440 34.5364 174.3852 22 V 4.6843 8.4620 128.8186 61.3553 33.3143 174.5405 23 V 4.5431 8.0368 122.4077 60.6895 33.2904 175.0085 24 H 5.0945 8.6635 122.6373 55.4342 34.2236 172.3261 25 M 4.4576 8.4648 123.0854 53.3277 34.4423 175.3225 26 G 3.9284 8.1962 113.5126 46.4182 0.0000 172.9854 27 I 3.8438 8.3117 127.9071 61.2753 37.7219 177.6846 28 G 5.1075 5.3800 127.0700 46.5455 0.0000 172.4991 29 H 5.3884 7.8129 119.6848 55.3800 31.1830 174.4900 *35 A 4.3002 7.8325 124.0652 52.1244 18.8634 178.7987 36 N 4.4268 9.4880 122.1242 54.8230 37.9606 176.2217 37 A 4.1078 7.9351 122.6834 54.3746 18.6216 178.8508 38 E 3.9352 8.0785 117.9249 59.8521 28.3951 178.8986 39 D 4.4484 8.2252 118.4414 57.7004 40.8036 179.3735 40 I 4.6971 7.3215 113.0701 63.6362 37.5858 178.1100 41 L 4.0516 8.0255 120.5135 57.4284 41.0862 179.4941 42 G 3.6723 8.1298 104.8925 46.3097 0.0000 175.3388 43 E 4.2700 7.4945 120.8954 58.5436 29.8980 177.9240 44 I 4.0974 8.0751 117.0177 62.4331 38.1889 175.7332 45 T 4.3767 8.1599 107.3702 64.8473 70.0844 174.5172 46 G 3.5359 6.5397 109.7341 44.3366 0.0000 172.8108 47 Q 4.6048 7.8031 117.8899 54.0158 32.0181 174.1885 48 M 4.1199 8.4352 117.8520 54.9959 32.3625 174.6581 49 P 4.8989 0.0000 0.0000 61.7983 33.8123 174.5739 50 V 4.5153 8.3102 119.2477 60.8931 34.7937 175.2055 51 R 4.7645 8.4745 124.5110 56.4332 31.4848 175.8200 52 T 4.6538 8.4755 115.4517 61.2043 72.3760 173.3055 53 K 4.9071 8.9092 124.4436 54.5011 31.1176 177.4342 54 A 4.4142 7.1608 129.2973 53.2450 22.1097 175.6324 55 K 4.5873 7.8765 117.8065 55.3482 35.8826 172.6147 56 R 3.9866 8.6671 127.5838 55.7131 30.1894 176.8979 57 T 4.0989 8.3964 119.0108 63.5365 69.4120 173.9205 58 V 4.4450 8.6309 123.9820 60.6984 34.4159 176.5570 59 G 3.8653 9.1485 116.3529 48.8871 0.0000 174.3313 60 E 4.0943 8.2898 117.7818 59.2802 27.4057 177.5935 61 F 4.1166 7.6627 129.9062 60.2244 38.4251 176.0849 62 D 4.7559 8.1919 126.0110 53.1147 41.8188 175.5015 63 I 3.7841 7.6586 114.9532 63.1345 38.9269 176.7170 64 R 3.7880 7.9015 121.0947 56.2377 28.8506 175.2298 65 E 3.8539 8.5501 127.6826 58.6869 30.1901 176.2615 66 G 4.1816 7.6811 113.9624 46.1696 0.0000 171.6874 67 D 4.6138 8.4674 123.7137 51.4061 41.7299 173.9617 68 P 4.4973 0.0000 0.0000 63.9782 31.8812 176.5484 69 I 4.6563 8.9339 121.6793 60.8589 41.0875 174.7768 70 G 4.0929 7.6560 106.7269 46.3208 0.0000 171.7851 71 A 5.8995 8.0552 118.4757 50.6338 23.1371 175.5625 72 K 5.0404 8.3953 117.2832 55.5779 37.2599 175.4493 73 V 4.4835 8.8310 120.5691 61.6857 34.5864 174.0837 74 T 4.4738 8.5299 119.7579 60.6320 69.4395 173.9920 75 L 4.5641 8.8555 127.9995 53.5787 43.4248 176.3659 76 R 4.8040 8.1163 120.8780 55.0657 34.4010 175.2207 77 D 4.7193 8.7062 119.7800 55.3448 42.6113 174.6324 *78 E 4.3638 8.0859 114.3493 55.9312 32.0740 175.7001 79 M 4.1190 8.5798 119.6079 58.9327 31.9865 178.5165 80 A 4.1722 8.3519 120.7458 54.9567 18.6122 179.6500 81 E 3.9574 8.0101 116.5698 59.7853 29.6051 179.0966 82 E 3.9492 8.5170 117.3725 59.5671 29.6975 178.9359 83 F 4.3225 7.9054 120.0347 60.7495 39.4903 176.9317 84 L 3.9622 8.4714 118.3621 58.2801 41.3779 179.5754 85 Q 3.7967 7.9292 117.0407 58.7041 28.8319 178.1140 86 T 4.2343 7.5516 105.9450 61.6731 70.0175 175.5882 87 A 4.1942 7.2888 124.2312 54.3103 19.7418 178.9690 88 L 3.4400 8.3009 118.0295 57.4525 41.5123 177.9572 89 P 4.5030 0.0000 0.0000 64.9913 31.2736 177.4573 90 L 4.3961 7.4715 115.5754 53.9581 41.9897 175.9547 91 A 4.8358 7.5571 121.6517 50.4527 22.2496 176.4624 92 E 4.5768 8.2597 119.0897 53.7587 29.0655 175.9749 93 L 4.2579 7.7394 120.0153 55.2154 42.8001 176.7064 94 A 5.2531 8.2243 122.1034 50.1147 22.7173 177.1400 95 T 3.8682 8.8762 116.6699 67.0051 68.9552 176.7532 96 S 4.2931 8.4907 115.1656 61.8228 62.4747 176.7399 97 Q 4.2289 8.2172 116.0617 56.2256 28.0248 175.4447 98 F 5.0570 8.4389 117.4911 55.3654 41.5098 175.3071 99 D 4.6278 10.2773 124.2225 54.0690 41.8661 176.9832 100 D 4.4536 8.7823 124.5947 57.9522 40.9662 178.4362 101 T 3.9846 7.6642 114.3473 64.8448 68.6074 174.6767 102 G 4.4077 7.6723 110.7832 46.6047 0.0000 172.7903 103 N 5.3083 8.3171 115.0761 51.1945 42.7973 173.3280 104 F 4.9968 7.7726 112.0909 56.2513 41.4555 173.4318 105 S 5.3867 8.8027 115.4793 55.7103 65.0234 172.8728 106 F 4.8186 8.4409 121.8243 55.1653 41.0636 173.6326 107 G 3.9975 8.7275 102.4960 43.5885 0.0000 172.1960 *128 L 4.1973 8.1384 121.7504 55.1229 43.2786 177.1103 129 D 5.0035 8.8826 125.2096 52.4567 44.5990 175.4670 130 V 4.1785 8.1845 120.8944 61.5259 34.5144 174.1388 131 T 4.5814 8.2415 124.6838 61.5934 71.1039 173.8505 132 V 4.4567 7.9271 125.0576 61.0671 34.4010 173.8713 133 N 4.8443 9.3869 128.5538 52.3897 39.7756 173.2719 134 L 5.1897 8.3629 126.7670 53.2804 43.5430 176.4122 135 V 4.3414 8.1121 121.5492 60.3843 35.3769 174.1212 136 R 3.9785 8.4185 119.9077 55.3277 30.9459 174.6416 137 P 3.4896 0.0000 0.0000 66.9045 32.5619 177.7409 138 G 3.9898 7.8886 112.4043 45.6336 0.0000 172.7005 139 Y 4.4052 7.7877 121.6750 59.9680 40.2071 176.9116 140 R 3.8612 8.2898 119.9879 59.3567 30.2209 177.9503 141 V 3.7145 7.9302 116.6019 65.1940 31.3679 176.5854 142 A 4.6846 7.7823 119.5944 51.1869 19.7166 177.1134 143 K 4.3219 8.0632 114.2804 55.6983 32.8387 176.2731 144 R 4.4654 7.4240 115.6357 54.8092 31.2888 176.2062 145 D 4.4635 8.3269 117.7990 56.9316 41.6387 177.6104 146 K 3.9337 7.9581 118.4666 57.9275 32.6438 177.1673 147 A 4.0927 8.6210 123.6137 52.2715 16.2348 176.7825 148 S 4.4429 7.2580 115.1783 60.9771 63.9020 172.9971 149 R 4.5291 9.1362 119.0466 55.4907 33.8027 173.2984 150 S 4.6809 8.4834 117.7809 57.2810 63.6070 173.7415 151 I 3.9335 8.2856 127.6893 60.2943 37.4666 174.3085 152 P 4.3688 0.0000 0.0000 62.6996 32.0715 177.2998 153 T 4.0353 8.8310 112.1693 65.0431 68.4331 176.2792 154 K 4.0495 8.0921 119.6975 58.6695 32.1799 176.8231 155 H 4.7312 8.4182 116.8345 55.7422 30.1688 174.8883 156 R 4.2590 7.6403 117.6690 56.1003 30.6926 176.2616 157 L 4.1738 8.2523 122.8672 55.0696 43.0624 176.3493 158 N 5.1152 7.8249 117.6797 50.5341 42.4508 174.3589 159 P 4.2861 0.0000 0.0000 65.9493 31.4197 178.8987 160 A 3.8652 7.8875 118.7368 55.3855 18.4049 179.3154 161 D 4.2996 8.0524 116.5112 57.1301 40.7775 178.7628 162 A 4.0628 8.3701 122.1148 55.1091 18.4773 179.4212 163 V 3.2139 7.7347 116.4718 66.6413 31.4709 177.4113 164 A 3.9052 8.1956 119.7983 55.4763 17.8394 178.8703 165 F 4.0900 8.3235 118.3989 62.5442 39.6833 177.3973 166 I 3.3333 8.2946 118.0041 63.8423 37.0255 177.3222 167 E 4.6038 8.7166 121.6138 59.4518 29.5940 179.7907 168 S 4.5429 8.1521 109.4553 57.9405 63.5136 175.2167 169 T 4.6219 8.0648 115.8480 63.1036 71.4045 171.7070 170 Y 3.2583 7.5858 123.5685 55.9491 34.6482 168.3404 171 D 4.5703 6.3762 118.2760 53.0501 42.6379 175.8098 172 V 4.8246 7.6128 118.6941 61.4063 35.0284 174.0621 173 E 4.3934 8.0313 119.0157 57.1892 31.6175 176.1575 174 V 3.8697 7.9920 116.5544 63.3848 32.5845 174.7267 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 10 F 8.31 4.87 0.00 3.14 3.32 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 11 H 6.97 4.43 0.00 3.31 3.09 0.00 5.48 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.27 3.87 0.00 1.63 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 2.22 2.22 0.00 13 M 7.68 4.61 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 14 R 8.09 4.55 0.00 1.91 1.94 0.00 3.32 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.02 0.00 15 E 8.12 4.01 0.00 2.17 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 2.54 2.31 0.00 16 P 0.00 4.20 0.00 1.14 1.68 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 17 R 7.45 4.03 0.00 1.73 1.88 0.00 2.71 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 18 I 8.30 4.67 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 0.96 0.00 0.00 19 E 9.51 4.26 0.00 1.79 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 2.33 2.30 0.00 20 K 7.59 4.75 0.00 1.78 1.82 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.36 7.81 21 V 8.64 4.63 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 0.91 0.00 0.00 0.99 0.00 0.00 22 V 8.46 4.68 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 0.83 0.00 0.00 0.85 0.00 0.00 23 V 8.04 4.54 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 0.02 0.00 0.00 0.71 0.00 0.00 24 H 8.66 5.09 0.00 3.22 2.99 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.46 4.46 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 26 G 8.20 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 27 I 8.31 3.84 1.86 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 1.20 0.68 0.70 0.00 0.00 28 G 5.38 5.11 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 0.00 29 H 7.81 5.39 0.00 3.18 3.33 0.00 5.36 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 *35 A 7.83 4.30 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 36 N 9.49 4.43 0.00 2.88 2.97 0.00 0.00 5.91 7.26 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 37 A 7.94 4.11 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 38 E 8.08 3.94 0.00 2.02 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 2.31 2.51 0.00 39 D 8.23 4.45 0.00 2.67 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 40 I 7.32 4.70 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 1.72 1.43 0.91 0.00 0.00 41 L 8.03 4.05 0.00 1.83 1.72 0.86 0.92 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 42 G 8.13 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.49 4.27 0.00 2.33 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 2.29 2.47 0.00 44 I 8.08 4.10 1.95 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 1.93 0.85 1.08 0.00 0.00 45 T 8.16 4.38 4.07 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 0.95 0.00 0.00 46 G 6.54 3.54 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 0.00 47 Q 7.80 4.60 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.93 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 48 M 8.44 4.12 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 49 P 0.00 4.90 0.00 2.03 2.01 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 50 V 8.31 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 1.04 0.00 0.00 0.96 0.00 0.00 51 R 8.47 4.76 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 52 T 8.48 4.65 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 1.20 0.00 0.00 53 K 8.91 4.91 0.00 1.72 1.26 0.00 1.89 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.36 7.81 54 A 7.16 4.41 1.23 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 55 K 7.88 4.59 0.00 1.69 1.67 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.41 7.81 56 R 8.67 3.99 0.00 1.97 1.99 0.00 3.21 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 1.52 1.63 0.00 57 T 8.40 4.10 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 1.24 0.00 0.00 58 V 8.63 4.44 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 1.03 0.00 0.00 1.05 0.00 0.00 59 G 9.15 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 0.00 0.00 0.00 60 E 8.29 4.09 0.00 2.14 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 2.34 0.00 61 F 7.66 4.12 0.00 3.00 3.40 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 62 D 8.19 4.76 0.00 2.87 2.49 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 63 I 7.66 3.78 1.92 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 1.40 0.76 1.02 0.00 0.00 64 R 7.90 3.79 0.00 1.75 2.03 0.00 3.20 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 65 E 8.55 3.85 0.00 2.04 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 2.45 2.36 0.00 66 G 7.68 4.18 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 0.00 67 D 8.47 4.61 0.00 2.65 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 68 P 0.00 4.50 0.00 2.07 2.04 0.00 3.51 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 69 I 8.93 4.66 1.85 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 1.13 1.01 0.90 0.00 0.00 70 G 7.66 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 71 A 8.06 5.90 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 72 K 8.40 5.04 0.00 1.81 1.87 0.00 1.41 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.38 7.81 73 V 8.83 4.48 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 0.91 0.00 0.00 0.85 0.00 0.00 74 T 8.53 4.47 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 1.15 0.00 0.00 75 L 8.86 4.56 0.00 1.56 1.64 0.60 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.12 4.80 0.00 1.63 1.78 0.00 3.36 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 77 D 8.71 4.72 0.00 2.84 2.61 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 0.00 0.00 0.00 *78 E 8.09 4.36 0.00 1.87 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 2.21 2.40 0.00 79 M 8.58 4.12 0.00 2.00 2.18 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 2.70 2.60 0.00 80 A 8.35 4.17 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 81 E 8.01 3.96 0.00 2.17 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 2.46 2.45 0.00 82 E 8.52 3.95 0.00 1.94 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 0.00 2.36 2.52 0.00 83 F 7.91 4.32 0.00 3.36 3.27 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 0.00 84 L 8.47 3.96 0.00 1.94 1.81 1.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.93 3.80 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.13 2.49 0.00 86 T 7.55 4.23 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 1.15 0.00 0.00 87 A 7.29 4.19 0.68 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 88 L 8.30 3.44 0.00 1.63 1.58 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.50 0.00 1.96 2.10 0.00 3.46 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 2.14 2.15 0.00 90 L 7.47 4.40 0.00 1.74 1.73 0.95 0.64 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 91 A 7.56 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.26 4.58 0.00 1.95 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 2.19 2.28 0.00 93 L 7.74 4.26 0.00 1.61 1.70 0.64 0.75 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 94 A 8.22 5.25 1.27 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 0.00 0.00 0.00 95 T 8.88 3.87 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 1.19 0.00 0.00 96 S 8.49 4.29 0.00 4.06 4.20 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 0.00 0.00 0.00 0.00 97 Q 8.22 4.23 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 98 F 8.44 5.06 0.00 3.16 3.06 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 99 D 10.28 4.63 0.00 2.80 2.80 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 0.00 100 D 8.78 4.45 0.00 2.73 2.76 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 0.00 101 T 7.66 3.98 4.48 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 1.24 0.00 0.00 102 G 7.67 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 0.00 103 N 8.32 5.31 0.00 2.87 2.73 0.00 0.00 6.52 8.13 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 0.00 104 F 7.77 5.00 0.00 2.40 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 0.00 0.00 0.00 105 S 8.80 5.39 0.00 3.69 3.66 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 0.00 106 F 8.44 4.82 0.00 3.19 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 0.00 107 G 8.73 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 *128 L 8.14 4.20 0.00 1.68 1.63 0.95 1.09 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 0.00 129 D 8.88 5.00 0.00 2.58 2.42 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 0.00 130 V 8.18 4.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.82 0.00 0.00 131 T 8.24 4.58 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 1.05 0.00 0.00 132 V 7.93 4.46 0.74 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 1.02 0.00 0.00 0.62 0.00 0.00 133 N 9.39 4.84 0.00 2.71 2.70 0.00 0.00 6.69 6.68 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 0.00 134 L 8.36 5.19 0.00 1.81 1.55 1.35 1.18 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 0.00 135 V 8.11 4.34 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 0.46 0.00 0.00 0.32 0.00 0.00 136 R 8.42 3.98 0.00 1.59 1.76 0.00 3.14 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 137 P 0.00 3.49 0.00 2.08 1.94 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 138 G 7.89 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 0.00 0.00 0.00 139 Y 7.79 4.41 0.00 3.12 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 0.00 140 R 8.29 3.86 0.00 1.89 1.95 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 141 V 7.93 3.71 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 0.93 0.00 0.00 0.96 0.00 0.00 142 A 7.78 4.68 1.03 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 0.00 143 K 8.06 4.32 0.00 1.54 1.73 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.68 1.37 7.81 144 R 7.42 4.47 0.00 1.88 1.93 0.00 3.00 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 145 D 8.33 4.46 0.00 2.67 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 0.00 146 K 7.96 3.93 0.00 1.80 1.71 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.42 7.81 147 A 8.62 4.09 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 0.00 148 S 7.26 4.44 0.00 3.95 4.07 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 0.00 149 R 9.14 4.53 0.00 1.85 1.72 0.00 3.12 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 150 S 8.48 4.68 0.00 3.91 3.73 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 0.00 151 I 8.29 3.93 1.99 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 1.42 1.14 1.05 0.00 0.00 152 P 0.00 4.37 0.00 2.20 2.00 0.00 3.64 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.83 4.04 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 0.00 154 K 8.09 4.05 0.00 1.79 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.51 7.81 155 H 8.42 4.73 0.00 3.03 3.41 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.64 4.26 0.00 2.05 1.87 0.00 3.44 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 157 L 8.25 4.17 0.00 1.53 1.79 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 158 N 7.82 5.12 0.00 3.04 2.68 0.00 0.00 7.11 7.91 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 0.00 159 P 0.00 4.29 0.00 2.14 2.14 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.50 0.00 160 A 7.89 3.87 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 0.00 161 D 8.05 4.30 0.00 2.95 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 0.00 162 A 8.37 4.06 1.65 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 0.00 163 V 7.73 3.21 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 0.91 0.00 0.00 0.10 0.00 0.00 164 A 8.20 3.91 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 0.00 0.00 165 F 8.32 4.09 0.00 3.03 3.37 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 0.00 166 I 8.29 3.33 1.93 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 1.65 1.11 0.81 0.00 0.00 167 E 8.72 4.60 0.00 1.93 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 2.26 2.16 0.00 168 S 8.15 4.54 0.00 3.85 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 0.00 169 T 8.06 4.62 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 1.36 0.00 0.00 170 Y 7.59 3.26 0.00 3.00 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 0.00 171 D 6.38 4.57 0.00 2.96 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 0.00 172 V 7.61 4.82 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 0.85 0.00 0.00 0.89 0.00 0.00 173 E 8.03 4.39 0.00 2.01 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 0.00 2.22 2.23 0.00 174 V 7.99 3.87 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 1.04 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.