NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7721 8.0544 120.2913 61.2956 32.6880 174.1105 2 E 4.3426 8.0656 123.1484 53.5816 31.3803 173.4715 3 W 5.1090 8.3317 125.1576 54.7674 33.3336 175.5815 4 T 4.4514 9.2647 113.9618 61.0773 70.8485 175.8499 5 D 4.3878 8.5888 121.8449 57.4550 40.8135 178.9720 6 K 3.9539 8.0657 119.6457 59.5506 32.2054 178.4977 7 E 4.0798 8.5319 118.9485 59.5449 29.3820 179.5042 8 R 3.7681 8.2466 118.1139 59.2814 30.0863 179.1015 9 S 4.0675 8.2826 112.9016 61.3644 62.3430 176.2037 10 I 3.7054 8.1106 122.8638 64.4870 36.9003 178.4931 11 I 3.7612 7.9368 120.6776 64.4291 36.9373 178.3590 12 S 4.1099 8.2007 114.0801 61.4931 62.0623 175.7561 13 D 4.4436 8.2405 122.0471 56.7679 40.7451 178.1515 14 I 3.6018 7.7198 119.4008 64.6311 37.3271 178.2761 15 F 4.0285 8.3684 118.5652 60.1979 38.7066 177.9658 16 S 4.2302 8.4742 114.1009 60.7307 62.5741 175.1646 17 H 4.9177 7.4575 117.0817 54.2981 29.2789 174.2435 18 M 3.7705 7.0690 122.5546 55.4168 32.4041 176.1871 19 D 4.6824 8.2676 125.7832 53.0867 41.1523 175.9258 20 Y 3.9632 8.5304 125.1671 60.9171 37.8620 177.7445 21 D 4.5360 7.9215 116.9929 56.0478 41.0226 177.2770 22 D 4.6107 7.8233 118.1143 56.5167 41.9921 178.1278 23 I 3.7699 7.9400 120.6137 64.0728 37.0733 178.6688 24 G 3.6555 8.2391 106.5846 47.5296 0.0000 173.9342 25 P 4.2902 0.0000 0.0000 64.9235 31.3193 178.9492 26 K 3.9400 7.8789 117.2094 59.3222 31.9715 179.3185 27 A 3.9572 8.3229 121.4561 55.1090 18.3313 179.5207 28 L 3.9374 7.9109 118.8439 58.3725 42.2894 179.3172 29 S 4.0875 8.2324 115.2541 61.4052 62.6330 176.6611 30 R 3.8182 8.2164 121.7493 59.5210 29.7570 178.1214 31 C 4.1713 8.2048 118.5080 62.5436 31.5574 175.5781 32 L 3.9218 8.0231 120.4044 57.0687 40.8610 179.4746 33 V 3.5637 7.1197 117.1799 65.4985 31.8062 177.9259 34 V 3.4719 7.6910 117.0755 64.3559 32.7944 175.6479 35 Y 3.6895 7.5120 115.9274 54.6282 37.9108 174.3004 36 P 4.9397 0.0000 0.0000 63.8899 31.6297 178.1334 37 W 4.4108 7.7206 116.7536 58.9169 27.8307 177.4781 38 T 4.4676 7.8294 110.9029 63.9478 68.3200 176.4147 39 Q 4.3158 8.1994 121.9401 58.7664 28.4764 178.2809 40 R 3.8738 7.3760 114.8610 58.5587 29.4002 177.6413 41 Y 4.1571 6.9991 114.9117 58.6863 38.2553 175.5957 42 F 4.3829 7.8963 119.7153 56.7843 39.8765 176.7626 43 S 4.3610 8.3419 114.7313 59.9370 62.4500 174.4974 44 G 4.1263 7.9375 109.4318 45.7042 0.0000 174.6291 45 F 4.4988 8.4526 117.7355 58.0947 38.8304 175.5359 46 G 3.9165 7.7156 106.9300 44.1437 0.0000 172.7966 47 N 4.5407 8.3879 116.1652 53.6395 39.0240 175.5225 48 L 4.7497 8.3961 119.7154 54.7794 44.7388 177.1842 49 Y 4.1431 8.1483 120.5484 59.0388 39.2195 174.6233 50 N 4.9023 7.3959 115.7945 50.9751 43.3893 174.6694 51 A 3.8445 8.2473 123.9678 55.1109 18.5301 179.7359 52 E 4.0447 8.2142 116.9933 59.7796 29.3496 178.7258 53 G 3.7234 8.1978 104.2105 48.1271 0.0000 174.8740 54 I 3.8856 8.8125 121.7940 64.4513 37.2262 178.0351 55 M 4.0528 7.9134 117.9778 58.5640 31.8940 178.3604 56 S 4.3407 8.0214 113.8340 58.7861 63.7020 173.7981 57 N 4.4533 7.6735 123.1922 53.2691 39.3136 175.6482 58 A 4.0602 8.6034 127.4484 54.8974 18.4451 179.3044 59 N 3.9907 8.1293 115.1392 56.3264 38.5783 177.5050 60 V 3.7189 8.3511 119.6013 65.8185 31.6006 177.9041 61 A 3.9541 8.1575 120.2763 55.2874 18.3283 179.5152 62 A 3.9809 8.1518 119.4141 55.5647 18.3023 179.3616 63 H 4.3523 8.6159 117.1301 59.2192 29.9842 177.7912 64 G 3.6253 8.6008 108.1669 47.6581 0.0000 175.8654 65 I 3.8617 7.9160 122.1799 64.1302 37.1278 178.3456 66 K 3.9879 8.1876 120.5517 59.4544 31.7748 179.0018 67 V 3.6647 7.8994 117.8409 66.0433 31.8055 177.4970 68 L 4.3210 8.2236 120.0930 58.5884 41.9782 178.5714 69 H 4.7350 8.8559 116.1022 58.2675 28.4021 177.6796 70 G 3.8459 8.0291 106.7770 47.0223 0.0000 175.2285 71 L 4.6911 8.1509 122.3292 56.5487 41.7629 178.7894 72 D 4.2530 8.3161 119.9546 57.2667 40.5215 178.7907 73 R 3.9839 8.0250 115.2715 59.1903 29.7136 178.7842 74 G 3.9737 8.1825 106.2046 47.8389 0.0000 175.5484 75 M 3.8291 8.0142 118.3769 57.5191 31.1998 178.3044 76 K 4.2017 7.8210 118.2278 57.5269 33.6972 177.3267 77 N 4.9721 7.7684 117.1098 52.5257 39.9404 174.3785 78 M 4.2371 7.9339 121.0096 57.5217 32.5376 177.3889 79 D 4.8151 7.8086 115.7261 55.6179 40.9866 176.1020 80 N 5.1082 8.3306 118.6524 53.0911 39.8834 176.2004 81 I 3.8925 8.2989 119.7381 63.9807 37.5776 178.2209 82 A 4.0143 8.2779 121.8168 55.4024 18.1425 178.0784 83 D 4.5782 7.6248 110.9899 55.4434 41.2592 178.0911 84 A 4.1254 7.8138 120.6882 53.6853 18.5429 178.0767 85 Y 4.4521 7.5620 113.8098 58.0054 38.4999 177.3377 86 T 3.9282 7.9072 119.5449 67.1365 68.5744 176.0282 87 D 4.3752 8.0212 120.0829 57.2738 40.9470 178.6755 88 L 4.1339 7.9131 119.1939 57.6246 41.6094 179.3196 89 S 4.2498 8.5937 113.6403 61.7448 62.3198 176.2345 90 T 3.7436 8.0307 118.4821 66.4655 68.0934 176.2089 91 L 3.9033 7.9428 122.0057 58.7245 42.1110 178.8473 92 H 4.1567 8.4235 116.0203 58.7670 28.3102 177.7878 93 S 3.6654 8.1758 115.2242 61.2309 62.0286 175.9084 94 E 3.9500 8.1628 120.3063 57.9638 29.5123 177.9343 95 K 4.2149 7.7422 116.7390 57.9364 33.0702 177.5084 96 L 4.3081 8.0145 116.5531 54.5866 42.3169 176.1328 97 H 4.3026 7.8490 113.6778 55.4161 26.2492 174.9992 98 V 3.6223 8.0161 118.8354 61.9484 32.2455 175.0415 99 D 4.5097 8.7189 127.6251 53.4859 41.7901 175.3862 100 P 3.7213 0.0000 0.0000 65.5452 31.3882 178.3517 101 D 4.3745 8.9155 118.9559 56.8713 40.6272 178.1501 102 N 4.4077 7.9960 117.2293 55.7849 38.3186 177.2339 103 F 4.3344 7.2478 119.3205 60.4535 38.8929 177.4737 104 K 3.9373 7.7544 118.1157 59.2779 32.0367 178.8884 105 L 3.6615 7.6634 118.8302 57.7005 41.4864 179.1228 106 L 4.0356 7.9901 120.2156 57.9865 41.9240 178.6751 107 S 4.1120 8.3593 113.4513 61.7970 62.2205 176.1100 108 D 4.4422 8.4174 121.4511 57.5520 40.4335 178.6058 109 C 4.2123 8.1572 117.2563 62.6256 27.9987 176.1109 110 I 3.7410 8.1451 121.7545 64.7728 36.6739 178.5150 111 T 4.0887 8.2835 116.6028 66.9494 68.3321 176.8266 112 I 3.6396 8.0537 121.8391 64.2029 37.0767 178.7512 113 V 3.5047 8.0118 119.4851 65.7364 31.2803 177.8972 114 L 3.6551 8.0457 120.2919 57.7879 41.7429 178.7491 115 A 2.9516 7.5198 120.7954 54.7688 17.9981 179.4986 116 A 3.8223 7.5148 118.2119 54.9138 18.4482 179.5874 117 K 3.9362 7.6309 117.4462 59.9915 32.6835 178.7836 118 M 4.1653 8.4066 119.0678 55.9541 32.3145 177.7175 119 G 3.6327 8.7613 108.4287 46.6994 0.0000 176.3399 120 H 4.4114 8.7724 120.2950 57.7892 28.6158 175.8965 121 A 4.1813 7.9332 121.5057 53.5468 18.9191 178.0484 122 F 4.5301 7.9940 120.7684 57.0115 37.9273 174.9957 123 T 4.1324 7.2984 115.6718 60.7405 71.3155 175.1678 124 A 3.8733 8.3495 122.5021 55.4323 18.3032 179.4884 125 E 3.8668 8.0398 117.1711 59.4958 29.6767 179.0783 126 T 3.7529 7.5095 115.4621 66.5352 68.4599 176.3455 127 Q 3.6418 7.9430 121.8623 58.9243 28.9750 178.6425 128 G 3.6238 8.3648 106.7905 47.8306 0.0000 175.5703 129 A 4.2329 8.0703 123.6701 54.7963 18.3580 179.5237 130 F 4.3630 8.5893 119.3539 61.7632 39.4302 177.4536 131 Q 4.0131 8.8377 118.1829 58.6575 28.5755 178.6342 132 K 3.9714 8.4189 120.9234 59.3258 32.2855 178.6373 133 F 4.4830 8.7375 120.9958 61.6035 39.4115 177.1253 134 L 3.5407 8.0966 118.5732 57.5602 41.2254 179.4471 135 A 4.0252 8.3167 120.8950 54.8689 18.2614 179.5879 136 A 3.8532 7.8192 119.1739 55.2382 18.3865 180.0918 137 V 2.9801 7.2725 116.7610 65.7946 31.4198 178.3735 138 V 3.2473 7.8975 118.4016 65.8762 31.0830 177.9158 139 S 3.9780 8.0053 111.9108 61.4029 62.6511 175.7546 140 A 4.1027 7.9104 123.3789 55.0758 17.8623 179.5806 141 L 3.9056 7.7411 116.9635 56.8769 41.8812 178.8467 142 G 4.0275 7.6761 106.3769 45.4986 0.0000 176.2421 *143 K 3.9955 7.6345 125.9470 59.8091 31.8126 183.0403 144 Q 4.5678 8.0882 115.8284 56.1562 28.9861 175.9169 145 Y 4.2410 7.9756 116.6745 57.8985 38.6696 175.4339 146 H 4.5842 8.9803 116.8262 55.9132 28.9866 175.1208 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 V 8.05 3.77 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 1.01 0.00 0.00 -0.35 0.00 0.00 2 E 8.07 4.34 0.00 1.86 1.69 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 2.15 2.42 0.00 3 W 8.33 5.11 0.00 3.32 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 4 T 9.26 4.45 4.30 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 1.29 0.00 0.00 5 D 8.59 4.39 0.00 2.78 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.07 3.95 0.00 1.85 1.85 0.00 1.74 0.00 0.00 2.02 0.00 0.00 2.95 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.54 1.56 7.81 7 E 8.53 4.08 0.00 2.51 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 2.53 2.49 0.00 8 R 8.25 3.77 0.00 2.05 1.93 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.87 0.00 9 S 8.28 4.07 0.00 3.90 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 10 I 8.11 3.71 2.05 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 1.53 0.57 0.94 0.00 0.00 11 I 7.94 3.76 1.69 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.95 0.55 0.00 0.00 12 S 8.20 4.11 0.00 3.89 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 13 D 8.24 4.44 0.00 2.93 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 14 I 7.72 3.60 1.94 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 1.37 0.72 0.31 0.00 0.00 15 F 8.37 4.03 0.00 3.08 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 16 S 8.47 4.23 0.00 4.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 7.46 4.92 0.00 3.00 3.30 0.00 5.85 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 18 M 7.07 3.77 0.00 1.52 1.58 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.17 0.00 19 D 8.27 4.68 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 3.96 0.00 2.97 2.95 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 21 D 7.92 4.54 0.00 2.90 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 22 D 7.82 4.61 0.00 2.68 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 23 I 7.94 3.77 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 0.81 0.00 0.00 24 G 8.24 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 0.00 0.00 0.00 25 P 0.00 4.29 0.00 2.17 2.12 0.00 3.75 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 2.32 2.41 0.00 26 K 7.88 3.94 0.00 1.93 1.82 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 27 A 8.32 3.96 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 28 L 7.91 3.94 0.00 1.81 1.65 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.23 4.09 0.00 3.91 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 30 R 8.22 3.82 0.00 1.89 2.07 0.00 3.07 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 31 C 8.20 4.17 0.00 3.18 3.11 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 32 L 8.02 3.92 0.00 1.82 1.64 0.78 0.70 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 33 V 7.12 3.56 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 0.69 0.00 0.00 0.91 0.00 0.00 34 V 7.69 3.47 1.55 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 -0.06 0.00 0.00 0.73 0.00 0.00 35 Y 7.51 3.69 0.00 2.64 1.63 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 36 P 0.00 4.94 0.00 2.22 2.25 0.00 3.43 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 2.15 1.82 0.00 37 W 7.72 4.41 0.00 3.58 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 4.47 4.46 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 1.23 0.00 0.00 39 Q 8.20 4.32 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 40 R 7.38 3.87 0.00 1.78 1.92 0.00 2.76 0.00 0.00 3.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.50 0.00 41 Y 7.00 4.16 0.00 1.82 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 0.00 0.00 0.00 0.00 42 F 7.90 4.38 0.00 2.66 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.34 4.36 0.00 3.99 3.96 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 44 G 7.94 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.45 4.50 0.00 3.23 3.12 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 0.00 0.00 0.00 46 G 7.72 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.39 4.54 0.00 2.77 2.84 0.00 0.00 6.59 7.85 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 48 L 8.40 4.75 0.00 1.80 1.67 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.15 4.14 0.00 2.92 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 50 N 7.40 4.90 0.00 2.89 2.63 0.00 0.00 6.91 8.03 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 51 A 8.25 3.84 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 52 E 8.21 4.04 0.00 2.02 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 2.39 2.37 0.00 53 G 8.20 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.81 3.89 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.89 0.00 0.00 55 M 7.91 4.05 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 56 S 8.02 4.34 0.00 4.06 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 57 N 7.67 4.45 0.00 2.91 2.90 0.00 0.00 7.01 8.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.60 4.06 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 59 N 8.13 3.99 0.00 2.84 1.91 0.00 0.00 6.80 7.68 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 60 V 8.35 3.72 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.08 0.00 0.00 61 A 8.16 3.95 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 62 A 8.15 3.98 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 63 H 8.62 4.35 0.00 3.55 3.53 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.60 3.63 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 0.00 0.00 0.00 65 I 7.92 3.86 2.08 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 1.67 0.76 1.03 0.00 0.00 66 K 8.19 3.99 0.00 2.02 1.79 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.49 7.81 67 V 7.90 3.66 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 0.97 0.00 0.00 1.08 0.00 0.00 68 L 8.22 4.32 0.00 2.12 1.92 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.86 4.74 0.00 3.39 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.03 3.85 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 0.00 0.00 0.00 71 L 8.15 4.69 0.00 2.31 2.23 1.35 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.32 4.25 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.03 3.98 0.00 1.77 1.94 0.00 2.21 0.00 0.00 2.80 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.00 74 G 8.18 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 0.00 0.00 0.00 75 M 8.01 3.83 0.00 0.84 1.34 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.93 0.00 76 K 7.82 4.20 0.00 1.75 1.84 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.50 7.81 77 N 7.77 4.97 0.00 2.74 2.61 0.00 0.00 7.03 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 78 M 7.93 4.24 0.00 1.45 1.62 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.60 0.00 79 D 7.81 4.82 0.00 2.79 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 80 N 8.33 5.11 0.00 2.77 2.71 0.00 0.00 7.08 8.58 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 81 I 8.30 3.89 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.99 0.00 0.00 82 A 8.28 4.01 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 83 D 7.62 4.58 0.00 2.95 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 84 A 7.81 4.13 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.56 4.45 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.91 3.93 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 87 D 8.02 4.38 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.91 4.13 0.00 1.97 1.86 1.14 0.97 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 S 8.59 4.25 0.00 4.06 4.04 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 90 T 8.03 3.74 4.39 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 1.17 0.00 0.00 91 L 7.94 3.90 0.00 1.88 1.89 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.42 4.16 0.00 3.60 3.75 0.00 5.86 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 93 S 8.18 3.67 0.00 2.72 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 8.16 3.95 0.00 2.01 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 0.00 2.20 2.19 0.00 95 K 7.74 4.21 0.00 1.84 1.82 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.37 7.81 96 L 8.01 4.31 0.00 1.72 1.63 0.77 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.85 4.30 0.00 3.40 3.45 0.00 5.75 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.02 3.62 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 0.07 0.00 0.00 0.37 0.00 0.00 99 D 8.72 4.51 0.00 2.85 2.58 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 0.00 100 P 0.00 3.72 0.00 1.97 1.17 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 101 D 8.92 4.37 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 0.00 102 N 8.00 4.41 0.00 2.46 2.71 0.00 0.00 6.83 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 0.00 103 F 7.25 4.33 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.75 3.94 0.00 1.90 1.88 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 105 L 7.66 3.66 0.00 1.58 0.72 0.66 0.05 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 0.00 106 L 7.99 4.04 0.00 1.82 1.74 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.36 4.11 0.00 3.95 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 0.00 108 D 8.42 4.44 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 C 8.16 4.21 0.00 3.24 3.12 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 0.00 0.00 0.00 110 I 8.15 3.74 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 1.16 0.00 0.00 111 T 8.28 4.09 4.57 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 1.53 0.00 0.00 112 I 8.05 3.64 1.94 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 0.68 0.87 0.00 0.00 113 V 8.01 3.50 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 0.91 0.00 0.00 0.95 0.00 0.00 114 L 8.05 3.66 0.00 1.47 1.25 0.56 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.52 2.95 0.93 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 0.00 116 A 7.51 3.82 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 0.00 117 K 7.63 3.94 0.00 1.63 1.83 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.40 7.81 118 M 8.41 4.17 0.00 2.13 2.08 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 2.57 2.47 0.00 119 G 8.76 3.63 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 0.00 0.00 0.00 120 H 8.77 4.41 0.00 3.18 3.39 0.00 5.70 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 0.00 121 A 7.93 4.18 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 0.00 122 F 7.99 4.53 0.00 2.86 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 0.00 123 T 7.30 4.13 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 1.24 0.00 0.00 124 A 8.35 3.87 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 0.00 125 E 8.04 3.87 0.00 2.02 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 2.37 2.40 0.00 126 T 7.51 3.75 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 1.08 0.00 0.00 127 Q 7.94 3.64 0.00 1.32 2.00 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 2.40 2.56 0.00 128 G 8.36 3.62 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 0.00 0.00 0.00 129 A 8.07 4.23 1.52 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 0.00 0.00 0.00 130 F 8.59 4.36 0.00 3.18 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 0.00 131 Q 8.84 4.01 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.75 0.00 132 K 8.42 3.97 0.00 2.02 2.28 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.22 1.29 7.81 133 F 8.74 4.48 0.00 3.20 3.26 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 0.00 134 L 8.10 3.54 0.00 1.53 1.53 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.32 4.03 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 0.00 136 A 7.82 3.85 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 0.00 137 V 7.27 2.98 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 0.24 0.00 0.00 0.14 0.00 0.00 138 V 7.90 3.25 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 0.93 0.00 0.00 0.92 0.00 0.00 139 S 8.01 3.98 0.00 3.82 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.91 4.10 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 0.00 141 L 7.74 3.91 0.00 0.84 0.15 0.25 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.68 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 *143 K 7.63 4.00 0.00 1.91 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.37 7.81 144 Q 8.09 4.57 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 145 Y 7.98 4.24 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 0.00 146 H 8.98 4.58 0.00 3.25 3.27 0.00 5.58 0.00 0.00 0.00 0.00 6.91 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.