NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8037 8.2893 120.6142 55.6066 33.4146 174.2900 2 I 4.4835 8.1934 120.1895 58.1784 40.5751 173.8227 3 A 4.3023 9.1453 126.3621 52.1014 19.7344 179.7234 4 L 4.0182 8.2494 122.3248 58.4285 41.9631 179.9540 5 S 4.2962 8.0932 112.5070 61.5219 63.2205 176.1733 6 Q 4.1344 8.0480 121.0679 58.7845 28.4370 178.1143 7 F 4.2300 8.4449 121.6995 61.5566 39.2175 176.9102 8 N 4.2109 8.7226 115.0694 55.4981 38.3844 176.4824 9 S 4.5341 7.4482 114.0123 57.5640 63.9330 174.5703 10 L 4.1782 6.7447 122.2219 53.9645 42.1687 177.7329 11 S 4.2709 8.3417 116.2232 58.1746 64.8422 175.3020 12 K 3.7706 8.6509 122.7847 60.1587 31.7479 179.2395 13 D 4.3399 7.9627 118.1436 57.4588 40.9244 178.4920 14 E 3.9992 8.0115 118.8054 59.2478 29.4287 179.3784 15 A 4.0568 8.3294 120.8133 55.1206 18.6068 179.4410 16 A 4.1232 8.4042 119.8296 55.4488 18.2444 180.1313 17 G 3.6290 8.3410 103.4353 47.8228 0.0000 175.3445 18 L 4.1746 7.8460 121.8401 57.8982 42.4420 178.6286 19 L 4.3438 8.0666 117.7140 56.6261 41.8365 178.7348 20 A 4.1219 7.9128 120.9778 55.0203 18.0863 177.6947 21 P 4.4697 0.0000 0.0000 64.8232 31.3355 178.1456 22 C 4.3012 8.4067 116.9514 61.6992 28.1941 173.9536 23 V 4.0386 6.6485 113.7168 60.8286 34.2896 173.3259 24 A 4.3327 8.2814 126.5491 51.4776 17.4557 179.7269 25 L 4.5939 7.1243 121.7221 50.7861 43.8547 175.8143 26 P 4.3602 0.0000 0.0000 65.5794 31.3650 177.8848 27 A 4.1202 8.0911 119.0633 54.6009 18.4418 179.3733 28 W 4.2895 8.5009 127.0061 60.8010 30.9021 178.4886 29 G 3.5507 8.5243 105.2470 47.6504 0.0000 174.8135 30 E 3.9473 8.3710 121.7104 59.4530 29.3994 179.0636 31 T 3.8395 7.5993 114.2252 66.7342 68.8327 176.2583 32 L 4.2729 7.5158 120.3027 57.7884 41.4704 179.7465 33 V 3.6472 8.0407 118.5760 65.9612 31.3298 177.8460 34 S 4.3145 7.9168 111.3697 59.7922 63.0299 174.5237 35 L 4.3443 7.0475 121.0800 54.3841 41.8332 176.8234 36 R 3.7042 7.0954 118.8402 54.9580 30.5952 174.4808 37 P 4.6374 0.0000 0.0000 62.0873 32.4473 175.9889 38 F 4.3430 9.1031 120.9931 56.8002 39.6834 175.9447 39 A 4.1807 8.7819 127.8348 55.2126 18.7028 177.9245 40 S 4.6527 7.6287 108.4688 56.3568 66.8181 175.5508 41 R 3.8128 8.4907 121.7712 59.6460 29.7512 177.6106 42 H 4.0006 8.3618 117.4293 59.5443 29.7786 176.8951 43 A 4.0777 8.1803 122.2668 54.8040 18.1013 179.4069 44 L 2.9716 7.8919 118.9730 58.0720 42.1246 179.2688 45 L 3.8648 8.0031 119.2755 57.6881 41.5025 179.3144 46 Q 3.9027 7.9920 119.5446 59.5156 29.0096 178.4317 47 T 3.9004 7.9787 116.5730 66.4933 68.2333 176.5040 48 A 3.9767 7.9101 122.0140 55.1807 18.7979 179.5957 49 R 3.9504 8.0391 116.5382 59.5527 30.0678 179.2341 50 E 3.9645 8.2510 118.0755 59.1959 29.1952 179.1124 51 A 4.2241 8.0401 119.9706 53.9594 18.3804 178.3723 52 M 2.9315 7.2819 113.8460 54.6021 31.0876 177.8011 53 A 3.9163 7.4886 124.3420 55.0109 18.6478 178.6969 54 N 4.8619 7.8418 110.2143 52.6038 39.0782 175.0955 55 W 4.6889 7.6805 118.2626 57.4059 30.0211 175.8559 56 G 4.4054 9.4960 112.5659 43.8582 0.0000 172.4926 57 E 3.9541 8.8485 117.9315 59.3990 29.5788 179.7075 58 D 4.3489 8.0295 118.6104 57.4755 40.9821 178.4636 59 E 3.8053 8.0331 118.5410 58.8001 29.4953 178.9802 60 L 3.7724 7.6749 120.5851 58.2886 41.9914 178.8869 61 N 4.3247 7.9702 114.7302 56.1303 38.4409 177.0125 62 A 4.0521 7.9226 122.0242 55.1472 18.2603 179.6129 63 A 3.8492 7.7123 118.1080 54.3821 18.3387 178.6569 64 L 4.4909 7.1832 115.3013 54.7666 42.4169 177.8349 65 S 4.2059 7.4588 117.7343 61.1974 62.9638 174.8650 66 A 4.5550 7.5011 121.5994 50.8546 21.5448 174.9797 *94 E 4.1721 7.9956 113.7996 54.0069 32.4140 177.6238 95 N 4.7656 7.6600 123.1275 52.2865 39.2040 174.7918 96 E 3.9790 8.3484 127.9823 58.4466 29.9860 177.7923 97 R 3.8471 7.9896 118.5896 59.3217 30.0825 177.9606 98 L 3.8795 7.8763 119.0659 58.1907 42.2464 178.3889 99 A 3.9840 7.8711 120.6209 55.4620 18.2117 179.4525 100 Q 3.9191 8.4189 117.8790 59.1433 29.0596 178.2107 101 A 3.9732 8.1567 122.1030 54.9879 18.3375 179.6612 102 L 3.8860 8.3552 118.0422 57.8247 41.7001 179.8884 103 R 3.8898 8.0244 117.9976 59.2806 29.9855 178.7502 104 E 4.0303 8.5164 119.4670 59.1796 29.6288 178.9711 105 G 3.5697 8.2168 105.8473 47.9670 0.0000 175.3990 106 N 4.3858 8.3670 118.9245 55.8579 38.5486 177.4093 107 A 4.0241 8.1064 122.1741 55.3452 18.5232 179.9452 108 R 3.9020 8.2941 116.8359 59.3289 30.0548 178.7201 109 Y 4.0592 8.5624 119.7616 60.9684 38.9429 177.8094 110 E 4.7028 9.0494 120.8357 58.9562 29.3275 179.4164 111 A 3.9713 7.9000 120.0000 55.0099 18.5182 179.3449 112 R 3.7287 7.6626 116.2109 58.6627 30.2757 177.7618 113 F 4.6762 8.1852 115.3893 56.4573 40.0260 176.9219 114 G 3.9577 8.8040 106.2613 45.4247 0.0000 172.8985 115 R 4.7770 7.5019 114.5423 54.0827 32.5912 174.7038 116 V 4.0213 8.1594 111.6441 61.0865 32.1018 176.0784 117 F 3.4244 8.5778 125.1847 57.4798 39.4152 174.3026 118 L 4.2525 7.5290 130.0841 52.9612 43.2759 175.1195 119 I 4.2092 7.3749 124.8099 58.6752 41.0505 174.3028 120 R 3.8710 8.9590 127.5010 56.3681 29.7628 176.0907 121 A 4.1704 8.5882 131.8182 54.3554 19.3541 177.8761 122 K 4.1653 7.8856 117.8106 56.2491 31.8374 181.8003 123 G 4.0463 8.9928 112.8715 44.3755 0.0000 173.4109 124 R 4.8923 7.7897 118.0322 54.4987 31.5089 176.9797 125 S 4.7046 8.4305 116.4236 57.0676 65.9749 175.6810 126 G 3.6153 8.4366 108.2714 48.1095 0.0000 175.6071 127 E 3.9592 8.1487 120.9145 58.9366 29.5930 178.8369 128 E 3.9325 8.0941 119.0703 59.3999 29.7193 178.9131 129 I 3.7533 7.7313 119.6884 64.3828 37.1759 178.0157 130 L 3.9044 8.0614 121.1396 58.4505 41.8743 179.1352 131 Q 4.0044 8.2939 117.6247 58.7022 28.5246 178.5716 132 A 4.0044 8.1800 121.8743 55.0341 18.4948 179.2168 133 L 3.4316 8.2960 119.2241 58.6067 41.8088 179.3246 134 T 3.8291 7.9314 114.4477 66.6779 68.7985 176.2800 135 R 4.0281 8.0313 120.4969 59.5683 30.1557 178.7492 136 R 3.7863 8.4246 117.7934 58.5451 29.8937 178.6506 137 L 4.4980 8.0525 117.9822 56.8815 41.6403 178.1673 138 Q 4.4645 7.5539 116.1438 55.2530 29.3567 175.5376 139 H 4.8619 7.5406 118.2008 55.5054 29.7409 175.9112 140 T 4.3110 9.1843 113.4715 61.0143 70.8463 175.6717 141 A 4.2239 8.6014 122.9161 55.8714 18.3708 179.7865 142 D 4.3556 8.1011 116.6827 57.4174 40.9748 178.6212 143 E 3.8981 7.9606 119.3354 59.4275 29.3652 179.0927 144 E 3.9027 8.1464 119.2236 58.9393 29.6540 178.7461 145 V 3.5387 7.8798 118.1809 65.9635 31.5518 177.7884 146 A 3.9810 7.8959 120.2698 55.2913 18.2202 179.2990 147 E 3.8539 8.1324 117.5070 59.2790 29.6431 178.7137 148 A 3.9028 8.3112 121.2536 55.2328 18.3783 179.6559 149 L 3.9826 8.1342 117.2221 57.8164 41.7971 179.5848 150 A 3.9910 8.1009 120.8368 55.2010 18.2422 179.7751 151 Q 3.8801 8.4640 117.0448 58.8904 28.7158 178.4539 152 L 3.8900 8.1816 121.7281 58.3945 42.0919 179.3271 153 R 3.8905 8.2863 117.8967 59.1995 29.9822 178.8921 154 E 3.9047 8.0177 117.8772 59.4319 29.4871 179.4415 155 I 3.6558 7.8437 119.7937 64.6863 37.0943 178.5684 156 T 4.0028 7.8836 117.8651 66.3759 68.2333 176.6092 157 M 4.0741 7.8985 120.3879 58.3329 31.9603 178.7558 158 L 3.9843 7.9417 119.0885 57.9319 41.6620 179.9120 159 R 3.8994 8.0110 117.9259 59.0223 30.0012 178.7689 160 L 3.9849 8.2274 120.4411 58.4051 41.9032 178.9565 161 E 4.0572 8.4580 117.7059 59.3048 29.4264 179.3192 162 G 3.6802 8.0032 104.5809 46.8880 0.0000 175.1465 163 A 4.3246 7.6460 122.9756 52.6416 19.2130 176.9123 164 I 4.7083 7.2069 117.1645 59.7448 38.6615 176.5422 165 G 4.1085 8.8987 115.1163 45.0098 0.0000 173.6293 166 E 4.3856 8.6131 119.1837 56.6155 29.3295 177.1270 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 M 8.29 4.80 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 2 I 8.19 4.48 2.06 0.00 0.00 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 1.21 0.91 0.95 0.00 0.00 3 A 9.15 4.30 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 4 L 8.25 4.02 0.00 2.19 1.79 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.09 4.30 0.00 4.09 4.02 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 6 Q 8.05 4.13 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 7 F 8.44 4.23 0.00 3.06 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 8 N 8.72 4.21 0.00 2.93 2.86 0.00 0.00 7.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.45 4.53 0.00 3.97 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 10 L 6.74 4.18 0.00 1.63 1.51 1.01 0.91 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 S 8.34 4.27 0.00 4.02 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 12 K 8.65 3.77 0.00 1.80 1.91 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.52 7.81 13 D 7.96 4.34 0.00 2.69 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 14 E 8.01 4.00 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 15 A 8.33 4.06 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 16 A 8.40 4.12 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 0.00 0.00 17 G 8.34 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 18 L 7.85 4.17 0.00 2.10 1.97 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.07 4.34 0.00 2.00 1.90 0.99 0.80 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 20 A 7.91 4.12 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 21 P 0.00 4.47 0.00 2.06 2.14 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 22 C 8.41 4.30 0.00 3.31 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 23 V 6.65 4.04 1.78 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 0.17 0.00 0.00 0.54 0.00 0.00 24 A 8.28 4.33 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.12 4.59 0.00 1.54 1.51 -0.43 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.36 0.00 2.20 2.16 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 27 A 8.09 4.12 1.42 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 0.00 0.00 28 W 8.50 4.29 0.00 3.82 3.64 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 0.00 0.00 0.00 0.00 29 G 8.52 3.55 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 0.00 30 E 8.37 3.95 0.00 2.37 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 0.00 2.33 2.39 0.00 31 T 7.60 3.84 4.34 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 1.21 0.00 0.00 32 L 7.52 4.27 0.00 1.68 1.73 -0.00 0.43 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 33 V 8.04 3.65 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 1.05 0.00 0.00 1.01 0.00 0.00 34 S 7.92 4.31 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.05 4.34 0.00 1.56 1.34 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.10 3.70 0.00 1.62 1.68 0.00 2.64 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 37 P 0.00 4.64 0.00 2.15 1.99 0.00 3.63 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 1.90 1.92 0.00 38 F 9.10 4.34 0.00 3.17 3.21 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 0.00 0.00 0.00 0.00 39 A 8.78 4.18 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 40 S 7.63 4.65 0.00 4.06 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 41 R 8.49 3.81 0.00 1.88 2.08 0.00 3.29 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 42 H 8.36 4.00 0.00 3.22 3.30 0.00 5.72 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 43 A 8.18 4.08 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 2.97 0.00 1.02 1.53 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.00 3.86 0.00 1.60 1.63 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.99 3.90 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 47 T 7.98 3.90 4.43 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 1.36 0.00 0.00 48 A 7.91 3.98 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 49 R 8.04 3.95 0.00 2.00 1.93 0.00 3.08 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 50 E 8.25 3.96 0.00 2.16 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 2.31 2.42 0.00 51 A 8.04 4.22 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 52 M 7.28 2.93 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.50 0.00 53 A 7.49 3.92 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 54 N 7.84 4.86 0.00 2.79 2.92 0.00 0.00 6.91 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 55 W 7.68 4.69 0.00 3.34 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 56 G 9.50 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 57 E 8.85 3.95 0.00 2.06 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 0.00 2.38 2.41 0.00 58 D 8.03 4.35 0.00 2.80 2.68 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 59 E 8.03 3.81 0.00 2.00 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 2.13 2.22 0.00 60 L 7.67 3.77 0.00 1.91 1.74 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.97 4.32 0.00 2.71 2.84 0.00 0.00 7.08 6.74 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 62 A 7.92 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.71 3.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.18 4.49 0.00 1.70 1.65 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.46 4.21 0.00 3.82 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 66 A 7.50 4.55 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 *94 E 8.00 4.17 0.00 2.03 1.74 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 2.13 1.88 0.00 95 N 7.66 4.77 0.00 2.76 2.73 0.00 0.00 6.56 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 96 E 8.35 3.98 0.00 2.12 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 2.42 0.00 97 R 7.99 3.85 0.00 1.87 1.91 0.00 3.39 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 98 L 7.88 3.88 0.00 1.87 1.76 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.87 3.98 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 0.00 100 Q 8.42 3.92 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 101 A 8.16 3.97 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 0.00 102 L 8.36 3.89 0.00 1.82 1.71 0.92 0.78 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 0.00 103 R 8.02 3.89 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 104 E 8.52 4.03 0.00 2.08 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 0.00 2.30 2.32 0.00 105 G 8.22 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.37 4.39 0.00 2.99 2.92 0.00 0.00 6.94 6.95 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 0.00 107 A 8.11 4.02 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 0.00 108 R 8.29 3.90 0.00 2.11 2.00 0.00 3.12 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 109 Y 8.56 4.06 0.00 3.08 3.17 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 0.00 110 E 9.05 4.70 0.00 2.33 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 0.00 2.65 2.54 0.00 111 A 7.90 3.97 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 0.00 112 R 7.66 3.73 0.00 1.53 1.60 0.00 2.91 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 113 F 8.19 4.68 0.00 2.47 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 0.00 114 G 8.80 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 0.00 115 R 7.50 4.78 0.00 2.03 2.08 0.00 3.07 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 116 V 8.16 4.02 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 0.73 0.00 0.00 0.93 0.00 0.00 117 F 8.58 3.42 0.00 2.11 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 0.00 118 L 7.53 4.25 0.00 1.39 1.27 0.78 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.37 4.21 1.25 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 1.22 1.07 0.85 0.00 0.00 120 R 8.96 3.87 0.00 1.73 1.90 0.00 3.44 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 121 A 8.59 4.17 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 0.00 122 K 7.89 4.17 0.00 1.79 1.64 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.02 7.81 123 G 8.99 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 0.00 0.00 0.00 124 R 7.79 4.89 0.00 1.96 1.87 0.00 3.12 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.58 0.00 125 S 8.43 4.70 0.00 4.04 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 0.00 126 G 8.44 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 0.00 127 E 8.15 3.96 0.00 1.99 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 2.40 2.31 0.00 128 E 8.09 3.93 0.00 2.07 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 2.32 2.37 0.00 129 I 7.73 3.75 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 1.46 0.49 1.03 0.00 0.00 130 L 8.06 3.90 0.00 1.73 1.83 0.87 0.69 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 0.00 131 Q 8.29 4.00 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 132 A 8.18 4.00 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 0.00 133 L 8.30 3.43 0.00 1.60 1.56 0.61 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.93 3.83 4.36 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 1.20 0.00 0.00 135 R 8.03 4.03 0.00 1.95 2.09 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 136 R 8.42 3.79 0.00 2.10 2.28 0.00 3.48 0.00 0.00 3.56 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 137 L 8.05 4.50 0.00 1.88 1.80 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 7.55 4.46 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 139 H 7.54 4.86 0.00 3.46 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 9.18 4.31 4.29 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 0.00 0.00 0.00 1.30 0.00 0.00 141 A 8.60 4.22 1.42 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 0.00 0.00 142 D 8.10 4.36 0.00 2.72 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 0.00 143 E 7.96 3.90 0.00 2.11 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 2.27 2.31 0.00 144 E 8.15 3.90 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.87 0.00 145 V 7.88 3.54 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 0.97 0.00 0.00 0.97 0.00 0.00 146 A 7.90 3.98 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 0.00 147 E 8.13 3.85 0.00 2.09 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 0.00 2.30 2.32 0.00 148 A 8.31 3.90 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 0.00 149 L 8.13 3.98 0.00 2.00 1.83 1.03 0.69 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 0.00 150 A 8.10 3.99 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 0.00 151 Q 8.46 3.88 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 152 L 8.18 3.89 0.00 1.83 1.95 0.77 0.66 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 0.00 153 R 8.29 3.89 0.00 2.01 1.83 0.00 3.08 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.97 0.00 154 E 8.02 3.90 0.00 2.18 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 2.29 2.47 0.00 155 I 7.84 3.66 1.95 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 1.46 0.70 0.85 0.00 0.00 156 T 7.88 4.00 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 0.41 0.00 0.00 157 M 7.90 4.07 0.00 2.03 2.18 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 2.58 2.82 0.00 158 L 7.94 3.98 0.00 1.85 1.70 0.89 0.69 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 0.00 159 R 8.01 3.90 0.00 2.01 1.98 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 160 L 8.23 3.98 0.00 2.02 1.91 0.80 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.46 4.06 0.00 2.13 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 0.00 2.31 2.37 0.00 162 G 8.00 3.68 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 0.00 163 A 7.65 4.32 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 0.00 164 I 7.21 4.71 1.57 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.44 0.73 0.00 0.00 165 G 8.90 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.61 4.39 0.00 1.87 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 2.30 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.