NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3585 8.1076 123.5782 51.9297 20.2160 177.6442 4 H 4.0398 8.7313 116.4019 58.3915 28.4736 174.4752 5 E 3.8733 7.8891 121.0172 58.9572 29.6749 180.1011 6 L 3.7720 7.6841 119.6032 58.1113 42.2680 178.6275 7 K 3.8502 8.0407 118.3995 59.9380 32.0902 179.0694 8 E 3.9971 8.4507 118.2597 59.2898 29.3240 179.3503 9 A 4.0405 7.9800 120.7412 55.1218 18.4221 179.7025 10 L 3.9840 8.2714 117.8732 57.8746 41.6039 179.5612 11 E 3.9786 8.3768 118.6415 59.6494 29.3828 179.4794 12 T 3.8612 7.8639 115.6161 66.5822 68.4722 176.5032 13 L 4.0062 7.8940 120.7940 57.8274 41.6033 179.5425 14 K 3.9309 8.2176 119.4229 59.7300 31.9356 178.6979 15 E 4.1220 8.3430 117.8604 58.5640 29.4214 178.2758 16 T 4.4937 7.7496 107.7393 60.9856 69.2182 175.3290 17 G 3.8456 7.6358 108.8716 46.1190 0.0000 173.5811 18 V 3.9633 7.7695 119.7786 61.1709 32.1492 176.0401 19 R 4.0261 8.5355 127.7984 56.7376 30.5043 176.9209 20 I 4.2597 8.0449 127.0652 60.4859 36.0143 175.9850 21 T 4.3186 7.7657 115.1576 60.0834 71.4191 173.5596 22 P 4.3288 0.0000 0.0000 66.1589 31.4022 178.6051 23 Q 2.9925 7.8818 117.3408 58.9846 28.9002 178.3184 24 R 4.1433 7.9034 119.0292 59.5664 30.0542 178.4834 25 H 4.0700 8.5499 117.8031 59.3503 29.9258 177.1733 26 A 4.1311 8.4117 122.7348 55.2140 18.1252 179.7563 27 I 3.7572 8.0400 118.3912 64.5251 37.1520 178.5906 28 L 3.7675 8.1055 119.9375 57.6923 41.3962 179.2026 29 E 3.7360 8.3947 119.5382 59.2670 29.3320 178.1443 30 Y 3.9415 7.8825 118.3990 60.7846 39.0927 177.8554 31 L 4.0968 8.1917 120.0033 57.8308 41.5033 179.7242 32 V 3.0682 7.3872 117.3554 65.5378 31.4796 177.1030 33 N 4.4353 7.5820 113.6167 53.1024 39.0980 175.4411 34 S 4.0856 6.7751 115.6011 58.1883 63.2318 173.7120 35 M 4.0320 8.5568 126.8775 57.7395 32.2468 176.7676 36 A 4.3989 7.4279 119.0173 50.5893 20.8684 176.1098 37 H 4.7845 8.3106 117.0841 55.1933 29.0272 174.2734 38 P 4.9165 0.0000 0.0000 62.7183 33.2398 175.9966 39 T 5.0690 9.2081 111.3398 60.3305 70.4610 175.6415 40 A 3.7381 8.8798 123.4308 55.3158 18.0889 179.5882 41 D 4.4077 8.0958 116.8881 57.5441 40.9627 178.4730 42 D 4.3899 8.2029 119.3090 57.5127 40.8492 178.9920 43 I 2.9453 7.5546 119.9115 64.2197 37.0695 177.6395 44 Y 4.0690 8.2364 120.6513 60.9556 38.3775 178.5674 45 K 3.6727 8.0723 117.5947 59.2849 32.1887 178.9789 46 A 4.0523 7.7893 120.1851 54.1594 18.5229 178.6038 47 L 4.6090 7.3453 115.5136 54.9778 43.2246 178.4881 48 E 3.9696 8.0717 118.3634 59.3129 28.9450 179.3875 49 G 3.5383 7.8788 105.4088 47.4363 0.0000 174.9173 50 K 4.0744 7.9221 120.3653 56.4686 32.2252 176.5449 51 F 4.8078 7.4492 117.9199 55.0753 41.4637 173.9543 52 P 4.4041 0.0000 0.0000 65.2681 31.4560 177.1255 53 N 4.7312 8.1499 112.7342 53.3487 38.6928 174.2617 54 M 4.3195 7.6496 118.6171 54.8554 33.1291 175.9314 55 S 4.9093 8.5065 120.1925 55.8292 67.6201 175.2136 56 V 3.2914 7.7214 120.3677 65.9117 31.0148 177.6290 57 A 4.0888 7.9444 120.2945 55.5221 18.2381 179.6022 58 T 3.8817 7.7532 107.9066 64.6113 68.7616 176.9599 59 V 3.3777 7.6476 121.0415 66.1148 31.5388 177.5804 60 Y 3.9367 7.8917 116.2855 61.1156 37.6781 178.4513 61 N 4.2922 8.6118 117.7468 56.5023 38.5692 177.2611 62 N 3.9076 8.1125 117.8243 55.9991 38.4254 177.4841 63 L 3.8028 7.7372 120.5462 57.5431 41.5035 179.5146 64 R 3.8856 8.0399 118.7393 59.3385 30.0366 178.5979 65 V 3.5400 7.4808 117.9600 66.2809 31.4197 178.0852 66 F 4.6041 8.0143 117.6145 60.5086 38.6771 177.7237 67 R 4.5344 8.4211 120.1912 59.1536 29.7237 178.4547 68 E 4.0623 8.3122 117.4269 59.3165 29.5479 178.7301 69 S 4.5137 7.9547 112.5833 58.4548 63.1453 175.0874 70 G 3.9179 7.8294 109.9705 45.8771 0.0000 174.4752 71 L 4.1870 8.2576 121.1455 55.6406 43.2752 176.7967 72 V 4.9946 7.6956 117.8785 61.1141 35.3916 173.8146 73 K 4.9288 9.2873 126.1970 54.5919 35.4200 174.4987 74 E 4.4977 8.7895 124.5444 54.8465 31.1235 174.9979 75 L 4.6187 8.7862 128.0766 53.4792 43.0535 175.9031 76 T 4.7182 8.3643 114.4876 60.8518 71.0283 173.8912 77 Y 4.5259 8.4624 122.9670 56.4739 41.8546 174.0743 78 G 3.7512 7.2266 114.9252 45.6967 0.0000 172.7383 79 D 4.7720 9.0538 131.2610 55.0214 39.5393 174.9881 80 A 4.2540 7.3723 118.8950 51.8686 18.9541 177.3536 81 S 4.3419 8.4762 115.7339 58.8981 63.5257 175.1080 82 S 4.5513 8.6849 119.9246 58.7449 64.2363 173.2053 83 R 4.9164 8.5908 120.4835 54.5052 33.7789 174.8713 84 F 5.2205 8.9897 118.5611 55.8119 42.6208 174.1439 85 D 4.9914 9.1171 122.8395 52.1940 43.7168 174.6432 86 F 4.8556 9.1079 128.7619 58.2104 40.3384 174.2230 87 V 4.1189 7.5626 126.4592 61.6138 32.5715 175.0394 88 T 4.3679 8.1460 124.5110 61.4241 70.2999 174.5671 89 S 4.2605 8.1887 120.4855 58.4435 63.8725 173.6679 90 D 4.6895 8.3112 121.3813 54.3408 42.1011 175.3649 91 H 4.6848 8.3129 116.3250 54.2282 33.4845 172.2162 92 Y 4.7351 8.0267 118.5327 56.3716 41.4711 174.1296 93 H 5.5000 9.0768 120.2773 53.9834 33.3999 172.0823 94 A 5.2225 9.5083 124.6436 50.4742 21.4813 175.7855 95 I 4.9141 8.7338 122.9642 59.4708 40.9681 174.2692 96 C 4.9160 9.3125 128.6974 58.9922 31.9421 174.1085 97 E 4.1634 9.6344 126.7306 58.6784 29.1309 177.7542 98 N 4.5879 8.3595 117.4383 54.9293 39.6209 175.0591 99 C 4.6248 8.1939 108.9657 57.3610 31.1431 174.6255 100 G 3.9373 8.2795 108.8985 44.7134 0.0000 173.5603 101 K 4.0174 7.8803 121.7102 56.8986 33.2438 175.2038 102 I 5.0222 8.3942 127.3797 59.4731 39.9219 174.8951 103 V 4.4558 8.9131 127.0114 61.0872 33.9283 174.4289 104 D 5.3030 8.9298 128.1178 54.2723 41.7056 175.4453 105 F 5.1550 8.5774 116.2326 55.6722 41.6421 173.1156 106 H 4.8782 8.9860 118.5915 54.6927 31.2961 173.3238 107 Y 4.3546 7.0729 125.5989 55.1907 42.2229 173.5710 108 P 4.3187 0.0000 0.0000 61.5466 30.2668 176.2079 109 G 4.2710 8.1143 103.6054 46.4913 0.0000 171.8017 110 L 5.0240 8.0326 115.5729 52.7617 42.6119 178.0087 111 D 4.4036 8.3320 122.0645 56.8723 39.5876 177.8726 112 E 3.9050 8.1681 120.2869 58.7685 29.7333 178.8197 113 V 3.5711 7.7065 117.7172 66.0967 31.7365 177.5541 114 E 4.0036 8.4248 118.6004 59.6742 29.3349 179.5357 115 Q 4.0181 8.3881 118.1681 58.7827 28.7246 178.5548 116 L 3.9640 8.0824 121.1702 58.0559 42.1547 178.6856 117 A 3.9318 8.5379 120.9209 55.2829 18.3077 179.4597 118 A 4.1124 8.2243 119.2011 55.5126 18.1952 179.4359 119 H 4.1567 7.8102 115.4477 59.6202 30.0940 177.6958 120 V 3.7272 7.9221 113.3191 63.7332 31.5286 177.8333 121 T 4.3869 8.1188 107.9172 61.1913 69.5262 176.1219 122 G 4.0114 8.1818 108.8334 45.3835 0.0000 173.8115 123 F 4.2173 8.1883 118.4325 57.0978 39.5059 175.1007 124 K 4.3563 8.4063 123.7034 55.3831 32.5412 176.7050 125 V 4.0904 8.3540 124.3235 62.2659 32.5200 174.5546 126 S 4.5786 8.5623 121.1110 59.3384 63.4599 173.0597 127 H 4.9598 7.4039 111.8098 55.3292 31.1799 171.1809 128 H 4.9843 9.0683 113.0480 54.0287 32.4021 172.2829 129 R 4.8483 8.4413 118.7607 54.4537 32.7102 173.8081 130 L 4.6934 8.6200 128.7645 53.3025 44.4916 174.5115 131 E 5.0004 8.8412 125.6390 54.6642 31.7729 175.1787 132 I 4.4164 8.8328 126.0693 59.7858 39.5075 174.2255 133 Y 4.9279 8.4089 124.7804 56.7035 39.5736 175.9616 134 G 4.0901 8.3869 110.0381 46.7392 0.0000 172.2475 135 V 4.7320 8.5190 122.7198 60.4211 34.2955 176.5415 136 C 4.4304 8.4530 122.0339 57.6782 31.7839 174.2561 137 Q 3.9353 8.6231 122.0217 59.6705 28.1138 178.7320 138 E 3.9757 8.1109 118.6982 59.7810 29.6357 179.0667 139 C 4.1850 8.0258 116.2247 62.7859 28.0267 175.9662 140 S 4.1120 8.4201 115.1549 60.9186 61.6515 175.9353 141 K 3.8971 8.1139 122.5018 59.6178 31.7296 178.6998 142 K 4.0549 7.5139 117.7409 59.4780 32.2236 178.3475 143 E 4.0550 8.0165 117.5363 56.9274 30.6859 175.2749 144 N 4.1622 7.5047 117.6638 54.5017 36.9311 174.2591 *145 H 4.2292 8.1161 117.9225 54.3117 27.7604 175.8780 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 3 A 8.11 4.36 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 4 H 8.73 4.04 0.00 3.52 3.58 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.89 3.87 0.00 1.88 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 2.29 2.03 0.00 6 L 7.68 3.77 0.00 1.59 1.74 0.71 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.04 3.85 0.00 2.01 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.71 7.81 8 E 8.45 4.00 0.00 2.19 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 2.36 2.52 0.00 9 A 7.98 4.04 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 10 L 8.27 3.98 0.00 1.85 1.75 0.97 1.13 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 11 E 8.38 3.98 0.00 2.22 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 2.34 2.51 0.00 12 T 7.86 3.86 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 L 7.89 4.01 0.00 1.93 1.79 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.22 3.93 0.00 2.01 1.96 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 15 E 8.34 4.12 0.00 2.09 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 2.35 2.32 0.00 16 T 7.75 4.49 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 1.23 0.00 0.00 17 G 7.64 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 18 V 7.77 3.96 2.16 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 0.85 0.00 0.00 0.98 0.00 0.00 19 R 8.54 4.03 0.00 1.83 1.84 0.00 3.29 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 1.63 1.67 0.00 20 I 8.04 4.26 1.91 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 1.53 0.74 0.98 0.00 0.00 21 T 7.77 4.32 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 22 P 0.00 4.33 0.00 2.44 2.43 0.00 3.66 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 2.22 2.24 0.00 23 Q 7.88 2.99 0.00 1.46 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 24 R 7.90 4.14 0.00 2.16 2.30 0.00 3.33 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 25 H 8.55 4.07 0.00 3.32 3.52 0.00 5.59 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 26 A 8.41 4.13 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.04 3.76 2.14 0.00 0.00 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 1.47 0.72 1.08 0.00 0.00 28 L 8.11 3.77 0.00 1.63 1.44 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.39 3.74 0.00 1.97 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 0.00 2.30 2.26 0.00 30 Y 7.88 3.94 0.00 3.10 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 31 L 8.19 4.10 0.00 1.76 1.75 1.10 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.39 3.07 1.70 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 0.64 0.00 0.00 -0.17 0.00 0.00 33 N 7.58 4.44 0.00 2.63 2.70 0.00 0.00 7.00 7.60 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 34 S 6.78 4.09 0.00 3.49 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 35 M 8.56 4.03 0.00 2.00 2.04 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 2.52 2.48 0.00 36 A 7.43 4.40 1.20 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 0.00 0.00 37 H 8.31 4.78 0.00 3.10 3.42 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.92 0.00 2.39 2.48 0.00 4.16 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 39 T 9.21 5.07 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 1.30 0.00 0.00 40 A 8.88 3.74 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.10 4.41 0.00 2.76 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 42 D 8.20 4.39 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 43 I 7.55 2.95 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 1.41 1.41 0.74 0.00 0.00 44 Y 8.24 4.07 0.00 2.80 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 45 K 8.07 3.67 0.00 1.73 1.80 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.75 1.65 7.81 46 A 7.79 4.05 1.02 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 0.00 0.00 47 L 7.35 4.61 0.00 1.77 1.82 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.07 3.97 0.00 1.87 1.33 0.00 0.00 0.00 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 2.19 0.00 49 G 7.88 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 50 K 7.92 4.07 0.00 1.55 1.50 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 1.00 7.81 51 F 7.45 4.81 0.00 3.02 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 52 P 0.00 4.40 0.00 2.08 2.12 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 53 N 8.15 4.73 0.00 2.76 2.87 0.00 0.00 6.83 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 54 M 7.65 4.32 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 55 S 8.51 4.91 0.00 4.00 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 56 V 7.72 3.29 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 1.07 0.00 0.00 0.10 0.00 0.00 57 A 7.94 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 3.88 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 1.19 0.00 0.00 59 V 7.65 3.38 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 0.83 0.00 0.00 0.93 0.00 0.00 60 Y 7.89 3.94 0.00 3.23 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 61 N 8.61 4.29 0.00 2.79 2.79 0.00 0.00 7.05 6.66 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 62 N 8.11 3.91 0.00 2.50 2.17 0.00 0.00 7.06 6.25 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 63 L 7.74 3.80 0.00 1.53 1.33 -0.43 0.51 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 64 R 8.04 3.89 0.00 1.89 2.06 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 65 V 7.48 3.54 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 0.98 0.00 0.00 0.89 0.00 0.00 66 F 8.01 4.60 0.00 3.25 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 67 R 8.42 4.53 0.00 2.08 2.15 0.00 3.21 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 68 E 8.31 4.06 0.00 2.15 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 2.37 2.51 0.00 69 S 7.95 4.51 0.00 4.10 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 70 G 7.83 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 71 L 8.26 4.19 0.00 1.73 1.63 0.85 0.52 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 72 V 7.70 4.99 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 1.31 0.00 0.00 1.18 0.00 0.00 73 K 9.29 4.93 0.00 1.69 1.66 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.35 7.81 74 E 8.79 4.50 0.00 2.14 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 2.05 1.77 0.00 75 L 8.79 4.62 0.00 1.48 1.55 0.79 0.55 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 76 T 8.36 4.72 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 1.24 0.00 0.00 77 Y 8.46 4.53 0.00 3.01 2.84 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 78 G 7.23 3.75 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 0.00 0.00 0.00 79 D 9.05 4.77 0.00 2.87 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 80 A 7.37 4.25 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 0.00 0.00 81 S 8.48 4.34 0.00 3.96 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 82 S 8.68 4.55 0.00 3.79 3.34 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 83 R 8.59 4.92 0.00 1.66 1.93 0.00 3.07 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 84 F 8.99 5.22 0.00 3.00 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 85 D 9.12 4.99 0.00 2.47 2.43 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 86 F 9.11 4.86 0.00 3.03 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 87 V 7.56 4.12 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 0.68 0.00 0.00 0.91 0.00 0.00 88 T 8.15 4.37 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 0.87 0.00 0.00 89 S 8.19 4.26 0.00 3.68 3.75 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 90 D 8.31 4.69 0.00 2.37 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 0.00 0.00 0.00 91 H 8.31 4.68 0.00 2.85 2.83 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.03 4.74 0.00 1.98 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 0.00 0.00 0.00 93 H 9.08 5.50 0.00 2.97 3.09 0.00 5.59 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 94 A 9.51 5.22 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 95 I 8.73 4.91 1.59 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.69 1.01 0.00 0.00 96 C 9.31 4.92 0.00 2.98 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 97 E 9.63 4.16 0.00 1.89 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 2.50 2.56 0.00 98 N 8.36 4.59 0.00 2.69 2.84 0.00 0.00 6.81 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 99 C 8.19 4.62 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.28 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 0.00 0.00 0.00 101 K 7.88 4.02 0.00 1.87 1.73 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.50 7.81 102 I 8.39 5.02 1.86 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 1.22 0.96 0.92 0.00 0.00 103 V 8.91 4.46 2.16 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 0.96 0.00 0.00 0.97 0.00 0.00 104 D 8.93 5.30 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.58 5.15 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.99 4.88 0.00 3.12 3.29 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.07 4.35 0.00 2.46 1.51 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 0.00 108 P 0.00 4.32 0.00 2.04 1.91 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 109 G 8.11 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 0.00 0.00 0.00 0.00 110 L 8.03 5.02 0.00 1.58 1.57 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.33 4.40 0.00 3.06 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 0.00 112 E 8.17 3.90 0.00 2.08 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 2.39 2.38 0.00 113 V 7.71 3.57 2.19 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 0.88 0.00 0.00 0.93 0.00 0.00 114 E 8.42 4.00 0.00 2.21 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 2.37 2.55 0.00 115 Q 8.39 4.02 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 116 L 8.08 3.96 0.00 1.86 1.67 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.54 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.81 4.16 0.00 3.19 3.53 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.92 3.73 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 0.89 0.00 0.00 1.00 0.00 0.00 121 T 8.12 4.39 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 1.12 0.00 0.00 122 G 8.18 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 0.00 0.00 0.00 123 F 8.19 4.22 0.00 2.92 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 0.00 124 K 8.41 4.36 0.00 1.74 1.79 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81 125 V 8.35 4.09 2.14 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 0.90 0.00 0.00 1.05 0.00 0.00 126 S 8.56 4.58 0.00 3.95 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 0.00 127 H 7.40 4.96 0.00 3.20 3.31 0.00 5.54 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 9.07 4.98 0.00 3.08 3.33 0.00 5.20 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.44 4.85 0.00 1.76 1.78 0.00 3.20 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 130 L 8.62 4.69 0.00 1.77 1.49 0.95 1.22 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 0.00 131 E 8.84 5.00 0.00 1.79 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 2.18 2.30 0.00 132 I 8.83 4.42 1.91 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 1.29 0.78 0.90 0.00 0.00 133 Y 8.41 4.93 0.00 2.90 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 0.00 134 G 8.39 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 0.00 135 V 8.52 4.73 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 1.02 0.00 0.00 0.95 0.00 0.00 136 C 8.45 4.43 0.00 3.20 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 0.00 137 Q 8.62 3.94 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 138 E 8.11 3.98 0.00 2.06 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 2.40 2.41 0.00 139 C 8.03 4.18 0.00 3.10 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 0.00 140 S 8.42 4.11 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 0.00 141 K 8.11 3.90 0.00 2.01 1.95 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 142 K 7.51 4.05 0.00 1.80 1.82 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 143 E 8.02 4.06 0.00 2.14 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 0.00 2.35 2.43 0.00 144 N 7.50 4.16 0.00 2.87 3.00 0.00 0.00 7.02 7.77 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 *145 H 8.12 4.23 0.00 2.95 2.83 0.00 7.29 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.