NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 G 3.9809 8.2127 109.7526 45.4153 0.0000 175.7206 21 I 3.5463 8.0616 120.0662 62.9666 37.6379 177.1596 22 F 4.1958 8.0515 118.4561 60.2011 39.1529 176.6131 23 F 4.1796 8.0091 119.5150 60.9036 39.2076 175.3199 24 P 3.9755 0.0000 0.0000 65.4935 30.9040 178.4010 25 A 3.9123 7.7211 118.7293 54.7818 18.5315 179.0860 26 L 4.2638 7.4230 115.7348 57.0091 41.9524 178.8217 27 E 3.9867 8.0686 119.1161 59.2666 29.5310 177.4167 28 Q 4.3833 7.9957 115.0119 55.5578 28.8293 175.4450 29 N 4.5052 7.6117 117.3667 53.5876 39.4201 175.3362 30 M 4.1861 8.4807 123.5876 58.0713 32.4593 176.7409 31 M 4.4120 8.2855 118.6819 54.1988 33.1771 176.9090 32 G 3.7704 8.7800 110.0282 46.5798 0.0000 172.1903 33 A 5.2705 8.6235 124.3292 49.9031 22.5110 174.8543 34 V 4.8790 8.9721 122.4885 61.0259 34.8902 173.8282 35 L 5.4878 9.1063 130.3294 53.3057 44.4663 174.9448 36 I 5.1874 9.0479 120.0596 59.4038 41.0137 175.6581 37 N 4.8529 8.6658 121.9109 51.5684 39.6339 175.2114 38 E 4.0672 8.1092 114.1268 58.5130 29.3517 177.0263 39 N 4.7011 8.5492 116.6946 52.5567 38.8843 174.9856 40 D 4.6392 8.0930 116.8662 55.2800 39.2452 173.0143 41 E 4.6933 7.6815 119.2847 55.4623 30.6298 175.9149 42 V 4.3994 8.8134 124.4807 63.1621 32.0079 176.0137 43 M 4.7401 9.3335 125.3969 55.5714 33.0759 175.8720 44 F 5.0550 8.0536 121.3923 57.2196 43.3516 173.0598 45 F 4.8064 7.8393 128.5075 57.2186 40.9098 173.2037 46 N 4.3306 7.8288 124.4166 51.0794 38.9002 174.5942 47 P 4.4668 0.0000 0.0000 65.0052 31.2136 178.8170 48 A 3.9443 7.8626 119.0321 55.0160 18.3184 179.3862 49 A 3.9857 8.2672 119.5534 55.0644 18.2186 179.5130 50 E 4.7907 7.7938 118.5099 59.2003 29.3590 179.8852 51 K 4.1357 7.8596 117.1582 59.3181 32.1726 179.1676 52 L 4.0415 7.7977 118.2897 57.4902 41.8174 179.0389 53 W 4.5467 8.8532 117.9698 56.5631 29.2469 178.2851 54 G 4.0295 8.5444 106.3741 45.6312 0.0000 172.4105 55 Y 4.9383 7.7823 116.6690 55.7659 40.2535 175.6909 56 K 4.6847 9.2967 123.7908 55.7559 33.1905 178.6243 57 R 3.9713 9.1739 118.7720 59.4284 29.0386 178.9759 58 E 4.0052 8.1603 117.8993 58.6943 29.5713 177.9514 59 E 4.1770 8.0444 116.9822 57.1395 29.9329 177.0193 60 V 3.7255 6.9408 117.5562 63.7948 33.6474 175.7189 61 I 3.9488 7.5918 120.4948 62.7322 37.1595 176.5892 62 G 3.9097 9.1713 114.3063 45.3313 0.0000 173.2336 63 N 4.6490 7.8094 117.5050 51.7504 40.2289 173.9294 64 N 4.8921 8.1488 117.7089 52.9383 40.0638 175.4158 65 I 3.6085 8.4032 123.7905 64.7529 37.8737 177.9986 66 D 4.5370 8.0868 118.8769 56.9889 40.4154 178.1626 67 M 4.1189 7.8529 116.8062 57.3891 31.1903 176.9574 68 L 4.4401 7.8551 118.4456 54.7833 42.5844 176.3236 69 I 4.3823 7.2717 120.4362 58.8817 38.4877 174.0227 70 P 4.5202 0.0000 0.0000 62.7777 32.0798 177.4373 71 R 3.9375 9.1440 121.7365 59.5927 30.1015 178.3972 72 D 4.5855 8.0277 114.0551 54.5660 39.8713 176.9518 73 L 4.5643 8.0365 120.1175 54.9922 42.1140 178.2484 74 R 3.9499 7.7777 118.8042 58.5690 30.0080 176.5644 75 P 4.3779 0.0000 0.0000 65.3621 31.3435 177.6853 76 A 4.4447 7.9049 118.3293 54.3494 19.4628 178.7319 77 H 4.1273 8.5048 117.1535 59.0596 29.8621 175.6327 78 P 4.3108 0.0000 0.0000 65.6867 31.0582 178.1533 79 E 3.9086 8.0398 117.7969 59.2678 29.4836 178.5395 80 Y 3.7976 7.9622 116.5241 60.9064 37.9204 178.2454 81 I 3.5652 7.6604 120.4496 64.2794 37.1352 178.3447 82 R 3.8883 8.2676 119.8763 59.8015 29.6715 177.9473 83 H 4.1076 8.2024 116.9075 59.3781 29.9092 176.4498 84 N 4.4611 7.9953 117.7862 56.6562 38.8644 176.8542 85 R 4.1739 8.3506 119.2658 58.8241 30.2781 178.0427 86 E 4.2874 8.4140 118.7789 56.9871 30.4509 177.0371 *97 R 4.1708 7.3387 119.4360 56.5223 31.6845 179.6218 98 E 5.0448 8.9021 125.4122 54.5676 30.2850 175.2796 99 L 4.9599 9.1142 126.9380 52.9133 46.0959 175.5979 100 Q 3.7677 8.1689 123.8412 54.6434 29.6364 174.4392 101 L 4.3102 8.4809 129.8557 53.8591 44.0061 174.5857 102 E 4.8604 8.4780 126.5336 54.3961 31.1605 175.8638 103 K 4.4726 9.0292 127.2480 55.1757 33.3266 177.8076 104 K 3.5739 8.2960 122.0822 59.7459 31.7510 177.2169 105 D 4.4986 7.8524 114.5003 53.5348 39.6716 176.8683 106 G 3.9582 8.2414 110.0076 45.4230 0.0000 174.3780 107 S 4.3766 8.3673 114.6529 58.0317 63.8262 172.9805 108 K 5.1401 8.1916 119.8219 54.5816 35.2030 175.7013 109 I 4.6632 8.3049 115.9611 58.8728 41.3787 174.2191 110 W 4.9229 8.7694 123.7504 56.5212 30.1907 175.5570 111 T 5.1306 9.2887 113.4717 60.1664 72.7646 172.4339 112 R 5.2319 8.9430 120.7187 54.5710 32.5734 175.3272 113 F 5.2687 9.5274 122.8313 55.5990 41.7454 174.9535 114 A 4.8441 9.2013 124.3839 50.0814 21.6827 174.6296 115 L 5.3190 8.8140 124.3116 53.4937 44.7386 175.6783 116 S 4.8707 9.1759 120.5935 56.6123 67.0471 172.8939 117 K 4.4931 8.8470 125.5397 55.6702 33.2737 175.7710 118 V 4.3440 8.8045 127.6912 61.2842 34.0937 174.0859 119 S 5.3521 8.7326 124.1699 57.0749 64.3284 173.8392 120 A 4.5735 9.1503 127.2623 51.9492 22.0829 175.6578 121 E 3.8980 10.0640 121.1494 57.3759 27.2512 176.1644 122 G 3.9896 8.6140 104.9844 45.2130 0.0000 173.9542 123 K 4.5194 8.0247 118.9542 54.2800 34.7728 174.8724 124 V 4.5742 7.9161 121.3214 61.6430 33.3711 174.2376 125 Y 4.8002 9.1547 125.3787 56.4270 41.6399 174.1816 126 Y 5.2711 8.8270 117.9166 56.2327 42.0597 174.3878 127 L 5.2721 9.2367 125.4888 53.3797 44.7477 174.6346 128 A 5.1678 9.2544 128.9778 50.6066 21.2235 175.3781 129 L 5.1308 9.1463 123.1445 52.9211 44.4174 175.8913 130 V 4.7216 8.6997 123.7483 60.9359 34.9591 174.3704 131 R 4.9016 8.6594 122.0711 54.1066 33.5879 174.7534 132 D 4.4435 8.5446 118.0416 54.6720 41.2841 175.9409 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 G 8.21 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 0.00 0.00 0.00 21 I 8.06 3.55 1.63 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.95 0.01 0.00 0.00 22 F 8.05 4.20 0.00 3.15 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 23 F 8.01 4.18 0.00 3.03 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 24 P 0.00 3.98 0.00 2.12 2.04 0.00 3.81 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 25 A 7.72 3.91 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 26 L 7.42 4.26 0.00 1.56 1.81 0.83 0.79 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 27 E 8.07 3.99 0.00 1.16 1.43 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 2.11 2.21 0.00 28 Q 8.00 4.38 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 29 N 7.61 4.51 0.00 2.95 2.89 0.00 0.00 7.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.48 4.19 0.00 2.02 2.10 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 2.59 2.48 0.00 31 M 8.29 4.41 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 32 G 8.78 3.77 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 0.00 0.00 0.00 33 A 8.62 5.27 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.97 4.88 2.21 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 1.09 0.00 0.00 0.92 0.00 0.00 35 L 9.11 5.49 0.00 2.06 1.75 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 36 I 9.05 5.19 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.89 0.99 0.00 0.00 37 N 8.67 4.85 0.00 2.80 3.16 0.00 0.00 6.82 7.17 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 38 E 8.11 4.07 0.00 1.95 1.80 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 2.18 2.13 0.00 39 N 8.55 4.70 0.00 2.86 2.83 0.00 0.00 6.82 7.62 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 40 D 8.09 4.64 0.00 3.00 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 41 E 7.68 4.69 0.00 2.36 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 2.28 2.40 0.00 42 V 8.81 4.40 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 0.99 0.00 0.00 0.85 0.00 0.00 43 M 9.33 4.74 0.00 2.12 2.27 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 2.68 2.79 0.00 44 F 8.05 5.05 0.00 3.16 2.99 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 45 F 7.84 4.81 0.00 2.80 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 46 N 7.83 4.33 0.00 2.84 2.43 0.00 0.00 6.75 7.04 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 47 P 0.00 4.47 0.00 2.14 2.13 0.00 3.98 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 48 A 7.86 3.94 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 49 A 8.27 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.79 4.79 0.00 2.28 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 0.00 2.81 2.47 0.00 51 K 7.86 4.14 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 52 L 7.80 4.04 0.00 1.79 1.39 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.85 4.55 0.00 3.94 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.54 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 55 Y 7.78 4.94 0.00 3.03 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 56 K 9.30 4.68 0.00 1.85 1.78 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.45 7.81 57 R 9.17 3.97 0.00 2.11 2.51 0.00 2.84 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 58 E 8.16 4.01 0.00 1.96 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 2.34 2.36 0.00 59 E 8.04 4.18 0.00 2.06 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 2.37 2.34 0.00 60 V 6.94 3.73 1.29 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 0.29 0.00 0.00 -0.14 0.00 0.00 61 I 7.59 3.95 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.93 0.00 0.00 62 G 9.17 3.91 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 0.00 0.00 0.00 63 N 7.81 4.65 0.00 2.71 2.59 0.00 0.00 6.53 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 64 N 8.15 4.89 0.00 2.76 2.62 0.00 0.00 6.47 7.98 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 65 I 8.40 3.61 1.89 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 1.57 1.14 0.93 0.00 0.00 66 D 8.09 4.54 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 67 M 7.85 4.12 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.56 0.00 68 L 7.86 4.44 0.00 1.66 1.66 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.27 4.38 1.96 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.85 0.00 0.00 70 P 0.00 4.52 0.00 2.13 1.93 0.00 3.58 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 2.07 2.06 0.00 71 R 9.14 3.94 0.00 1.88 2.01 0.00 3.13 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 72 D 8.03 4.59 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.04 4.56 0.00 1.75 1.69 0.83 0.71 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 74 R 7.78 3.95 0.00 1.92 2.01 0.00 3.19 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 75 P 0.00 4.38 0.00 2.04 2.14 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 76 A 7.90 4.44 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.50 4.13 0.00 3.36 3.33 0.00 5.60 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 78 P 0.00 4.31 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 79 E 8.04 3.91 0.00 2.03 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 2.15 2.11 0.00 80 Y 7.96 3.80 0.00 3.13 2.93 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 81 I 7.66 3.57 1.86 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 1.21 0.75 0.92 0.00 0.00 82 R 8.27 3.89 0.00 1.94 2.06 0.00 3.10 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 83 H 8.20 4.11 0.00 3.12 3.39 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.00 4.46 0.00 2.84 2.89 0.00 0.00 7.30 7.67 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 85 R 8.35 4.17 0.00 2.08 2.03 0.00 3.28 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 86 E 8.41 4.29 0.00 1.95 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 2.30 2.54 0.00 *97 R 7.34 4.17 0.00 1.53 1.86 0.00 3.24 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 98 E 8.90 5.04 0.00 2.01 1.94 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 2.11 2.62 0.00 99 L 9.11 4.96 0.00 1.44 1.22 0.18 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.17 3.77 0.00 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.82 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 101 L 8.48 4.31 0.00 1.48 1.32 -0.69 0.14 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 0.00 102 E 8.48 4.86 0.00 1.93 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 2.21 2.27 0.00 103 K 9.03 4.47 0.00 1.89 1.74 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.26 7.81 104 K 8.30 3.57 0.00 0.79 1.52 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.24 7.81 105 D 7.85 4.50 0.00 2.79 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 0.00 106 G 8.24 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 0.00 0.00 0.00 107 S 8.37 4.38 0.00 3.96 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 0.00 108 K 8.19 5.14 0.00 1.46 1.42 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.18 1.29 7.81 109 I 8.30 4.66 1.82 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 1.05 1.13 0.85 0.00 0.00 110 W 8.77 4.92 0.00 3.23 3.20 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 0.00 111 T 9.29 5.13 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 1.10 0.00 0.00 112 R 8.94 5.23 0.00 1.76 1.92 0.00 3.33 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 113 F 9.53 5.27 0.00 2.79 3.04 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 0.00 114 A 9.20 4.84 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 0.00 115 L 8.81 5.32 0.00 1.77 1.68 1.17 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 116 S 9.18 4.87 0.00 3.82 3.74 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 0.00 117 K 8.85 4.49 0.00 1.90 1.74 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.27 1.01 7.81 118 V 8.80 4.34 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 0.73 0.00 0.00 0.93 0.00 0.00 119 S 8.73 5.35 0.00 3.78 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 9.15 4.57 1.12 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 0.00 0.00 121 E 10.06 3.90 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 122 G 8.61 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 0.00 123 K 8.02 4.52 0.00 1.92 1.36 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.45 7.81 124 V 7.92 4.57 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 0.65 0.00 0.00 0.87 0.00 0.00 125 Y 9.15 4.80 0.00 2.88 2.93 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 0.00 126 Y 8.83 5.27 0.00 3.09 2.93 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 0.00 127 L 9.24 5.27 0.00 1.82 1.60 1.11 1.17 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 0.00 128 A 9.25 5.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 9.15 5.13 0.00 1.54 1.55 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.70 4.72 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 0.48 0.00 0.00 -0.05 0.00 0.00 131 R 8.66 4.90 0.00 1.84 1.90 0.00 2.82 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 1.48 1.55 0.00 132 D 8.54 4.44 0.00 2.62 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 * Residues marked with a * may have inaccurate shift predictions.