NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 G 4.2234 8.3393 108.0478 44.9207 0.0000 174.2534 53 C 4.9025 8.5745 112.0118 56.8279 34.2356 170.6736 54 T 5.1238 9.0158 115.5932 61.8678 71.5798 175.0485 55 V 4.4733 9.1069 127.6185 61.3745 32.9057 174.5766 56 W 5.1178 8.9920 135.0000 55.1203 30.7755 175.1780 57 L 4.8246 8.1937 127.0575 54.9554 42.2487 176.5827 58 T 5.1407 7.9427 115.3685 60.2658 71.3362 173.0510 59 G 4.6658 8.3592 116.8070 44.8827 0.0000 171.8448 60 L 3.9409 7.3651 119.9865 53.9969 42.2314 177.0360 61 S 4.2099 8.4027 115.3121 60.2860 62.3788 174.7456 62 G 3.9868 9.0007 115.4999 45.3225 0.0000 173.9112 63 A 3.9417 7.6926 122.8213 54.4061 18.6343 177.5470 64 G 3.5171 8.3898 104.5283 45.5792 0.0000 175.8249 65 K 3.8574 8.3122 122.3244 59.5774 31.9944 179.1653 66 T 3.7381 7.7330 115.3439 66.9446 68.4198 176.7051 67 T 3.8038 7.6989 117.0315 66.5392 68.5877 176.8996 68 V 3.5476 8.0716 120.8047 65.9204 31.4985 178.1591 69 S 4.0792 8.3116 114.4757 61.7254 62.7081 176.4731 70 M 3.9395 8.1745 122.1060 58.1114 31.7679 178.6813 71 A 4.2103 8.0565 120.9050 54.7958 18.5116 179.5002 72 L 3.8721 8.4760 119.4334 58.2461 42.1204 178.7601 73 E 3.9474 8.4022 119.5173 59.2595 29.5719 178.4751 74 E 3.9540 8.2045 118.5835 59.6946 29.5333 178.7112 75 Y 3.9959 8.1011 119.2533 60.7538 38.8035 178.2580 76 L 4.1603 8.3113 120.1031 57.7567 41.7953 179.8324 77 V 3.6700 8.2079 119.8316 64.9819 31.1237 178.0385 78 C 4.2664 8.0499 113.3884 60.0236 29.5727 174.3620 79 H 4.6330 7.5270 117.2965 54.9275 28.5164 175.2065 80 G 3.8341 7.8219 108.2461 46.1646 0.0000 173.4546 81 I 4.4319 7.8788 121.0046 58.5088 38.4094 174.2255 82 P 4.6039 0.0000 0.0000 63.1530 32.2592 175.2122 83 C 5.2562 8.5644 116.6724 58.0271 32.3679 172.3179 84 Y 4.8261 8.8909 120.0679 56.7902 42.3611 173.2606 85 T 4.7967 7.3395 121.4496 61.7278 70.8908 173.5845 86 L 4.8018 8.6422 126.8748 53.4578 44.0796 175.5870 87 D 3.7555 9.2674 122.4577 50.9333 42.9667 176.2094 88 G 3.7322 8.3725 104.1032 48.3301 0.0000 175.3836 89 D 4.4352 8.1075 119.9467 56.1074 40.9638 177.2958 90 N 4.9014 8.0361 113.9897 52.8513 38.3637 175.5768 91 I 4.3569 7.5525 121.5708 63.1777 38.7482 177.6552 92 R 3.9340 8.2908 120.1112 58.6681 30.0769 177.4711 93 Q 4.7326 8.1729 112.7557 55.4295 30.8362 175.0474 94 G 3.7950 8.1643 106.7757 45.7783 0.0000 175.1118 95 L 3.9419 9.5615 121.3937 57.8395 42.9742 176.4120 96 N 4.9821 8.3160 114.4277 52.7620 38.7059 177.0254 97 K 4.3199 8.2848 120.2829 58.7883 32.6628 177.1873 98 N 4.8859 8.0670 115.6858 52.3271 37.6089 174.0994 99 L 4.9101 7.6912 117.9695 53.6053 44.6294 176.9774 100 G 4.2297 9.2047 116.3727 45.6417 0.0000 174.2106 *101 F 4.3656 8.6034 117.5641 57.9793 38.8684 173.4666 102 S 4.3817 7.8789 114.3417 58.4060 64.6721 173.0666 103 P 4.1935 0.0000 0.0000 66.0070 31.0823 178.4474 104 E 3.8993 8.1296 117.2710 59.6096 29.5167 178.5697 105 D 4.4275 8.1737 118.7757 57.2784 40.8978 179.0018 106 R 3.9903 8.3804 119.0713 59.1176 30.0544 178.8726 107 E 4.0216 8.4460 118.7446 59.3821 29.3821 178.9967 108 E 3.9883 8.3030 119.4751 58.8360 29.6561 178.1522 109 N 4.2267 8.3872 117.7520 56.8766 38.9520 177.0238 110 V 3.6350 7.7413 119.3000 65.9118 31.5801 177.8204 111 R 3.9162 8.1203 118.5057 59.5965 29.8340 178.7863 112 R 3.9586 8.2855 117.9148 59.2053 30.0427 178.9297 113 I 3.7372 7.8610 119.4403 64.5272 37.1386 178.2968 114 A 4.5394 8.6885 121.8533 55.4900 18.3450 179.5934 115 E 3.9988 8.6115 117.2822 59.3412 29.5154 179.7951 116 V 3.7265 8.2905 118.4165 66.0048 31.6258 177.8052 117 A 4.3197 8.7519 121.0635 55.3271 18.1508 179.4576 118 K 3.9254 8.4493 118.0125 59.6726 32.2177 179.0521 119 L 3.9988 8.0028 118.8702 57.7750 41.5201 179.4481 120 F 4.0011 8.5775 117.5249 60.4637 38.8673 177.5132 121 A 4.3814 8.7014 120.8143 55.4701 18.0215 179.2262 122 D 4.3344 8.4085 115.4489 57.2783 41.3745 177.8174 123 A 4.2125 7.9241 119.7904 53.0096 18.4903 178.1146 124 G 4.0608 7.9499 105.4460 44.8943 0.0000 173.6388 125 L 4.7240 8.1791 119.8752 53.6041 43.9779 176.3868 126 V 4.3540 8.7779 122.7687 62.9275 32.6154 174.3251 127 C 5.0885 9.3361 130.2913 58.1031 33.2916 172.1235 128 I 4.9989 8.6745 128.1505 59.8280 39.3457 174.6245 129 T 4.7620 8.6529 117.6079 59.9772 70.9803 173.7327 130 S 4.5352 8.1110 120.0830 55.9705 61.9146 172.5009 131 F 4.7760 7.6375 120.8441 54.9254 43.6450 175.5082 132 I 3.9407 8.7595 121.8236 62.3170 37.8180 176.1150 133 S 3.9345 8.0255 113.4421 58.8864 60.3059 170.1678 134 P 4.1415 0.0000 0.0000 64.9226 32.3634 176.3918 135 Y 5.0447 7.3916 117.0162 56.4248 40.0722 176.1883 136 T 3.8006 9.0881 122.6552 66.9666 68.7176 176.4233 137 Q 3.9269 8.1505 120.6963 59.4767 28.9939 178.1960 138 D 4.3702 8.0707 119.2836 57.2664 40.9324 178.7388 139 R 3.6407 8.0340 118.6417 59.2678 29.9902 178.7488 140 N 4.1394 8.3600 116.5725 56.3917 38.4948 177.2420 141 N 4.1621 8.1433 117.5406 56.0696 38.2455 177.3120 142 A 3.6613 7.6425 122.1430 54.8665 18.2958 179.5619 143 R 2.0000 7.2621 117.3403 59.1120 29.9876 178.8389 144 Q 3.9167 7.9153 117.9334 58.7443 28.3874 178.4782 145 I 3.5783 7.3650 120.1752 64.8609 37.4485 177.7930 146 H 4.3465 7.7156 116.1318 58.8632 28.7243 177.7545 147 E 4.0736 8.5536 120.9010 59.2366 29.0085 179.6304 148 G 3.6521 8.2021 104.7816 46.6905 0.0000 174.5052 149 A 4.4917 7.6652 119.9917 50.7691 19.7977 176.4120 150 S 3.6720 7.7458 112.5240 59.6396 61.0237 171.9936 151 L 4.7176 7.7601 119.5313 52.3423 43.1497 175.6059 152 P 4.1939 0.0000 0.0000 63.0814 32.4780 174.9860 153 F 4.9799 8.2031 125.3758 56.2932 42.5230 173.6634 154 F 4.7122 8.5002 124.8002 55.4772 41.9086 174.0455 155 E 4.6261 9.5906 127.2176 55.6974 30.8323 175.4880 156 V 4.5805 8.9910 128.1580 61.0767 34.2213 174.4073 157 F 5.0015 9.3846 132.8231 57.7287 39.8743 175.0364 158 V 4.1360 9.2542 129.1560 62.2108 31.9563 174.3243 159 D 4.3109 8.9265 129.6224 52.0691 42.4176 174.2596 160 A 4.7820 8.0119 126.4973 48.8953 22.2191 173.9582 161 P 4.3068 0.0000 0.0000 62.2702 32.3876 177.2823 162 L 3.8515 8.7000 122.4993 58.8527 41.7557 179.0597 163 H 4.0552 8.1026 117.4214 59.1707 29.7757 177.2643 164 V 3.4353 7.6093 119.4807 66.1754 31.4752 177.5125 165 C 3.9818 7.9975 116.4385 62.9587 27.7084 176.0965 166 E 2.9390 7.7527 119.4206 59.0423 29.0094 179.1069 167 Q 4.0372 7.5493 117.3334 58.5962 28.8005 178.5300 168 R 3.8008 8.2548 118.9371 58.8414 31.2419 177.5339 169 D 4.4472 8.2252 117.6451 54.8727 39.9465 175.3555 170 V 3.6359 7.8993 118.3096 63.7711 32.0359 177.3889 171 K 4.5790 7.8264 118.4306 54.6268 34.1692 178.1820 172 G 4.0818 8.6944 110.6878 45.3608 0.0000 174.4286 173 L 3.9808 9.0053 123.4710 57.5020 41.7239 178.0291 174 Y 3.9990 8.3460 119.3556 58.2692 38.0679 175.8069 *191 E 4.2113 8.4213 120.2629 55.3956 31.3822 171.0755 192 Y 4.0950 8.3599 120.0104 58.3293 40.1054 174.0787 193 E 4.5784 7.8722 127.1418 54.2079 30.6962 176.2065 194 K 3.7525 8.4733 124.6369 55.4597 32.8657 175.5657 195 P 4.0681 0.0000 0.0000 63.3228 31.9036 176.3528 196 E 4.0281 8.8402 122.4062 59.1294 30.1533 177.8791 197 A 4.7313 7.4080 118.4655 50.1310 18.7607 173.6650 198 P 4.5987 0.0000 0.0000 61.8695 32.6822 178.3124 199 E 4.3288 8.5577 119.1667 59.1598 30.0337 177.2163 200 L 4.6695 7.7667 117.2827 53.5979 46.1626 174.4041 201 V 4.8177 8.4603 124.8324 61.1309 34.0361 174.4284 202 L 4.4049 8.9555 128.6283 53.3324 43.4211 176.0239 203 K 4.7300 8.6815 125.3532 54.6506 31.3957 177.7161 204 T 4.1118 8.2019 113.6766 62.5791 69.4581 175.9293 205 D 4.4995 7.8935 121.4548 54.6356 40.0687 176.9770 206 S 4.6476 7.7577 112.4725 57.9547 64.3232 173.2164 207 C 4.7490 7.5133 114.4977 55.5973 32.6376 173.4494 208 D 4.6718 8.2074 120.8674 52.2284 41.7680 177.3880 209 V 3.5135 8.1149 117.9235 66.3695 31.4231 177.4844 210 N 4.3142 8.0683 115.6250 56.3357 38.4227 177.0533 211 D 4.3246 8.6790 120.6509 57.3607 41.0036 178.4107 212 C 4.0203 8.1869 117.4167 62.8447 28.1035 176.2697 213 V 3.4597 7.9338 119.8940 66.2246 30.9885 178.0609 214 Q 3.7996 8.0129 117.5622 58.9338 28.6074 178.8125 215 Q 4.0561 8.0753 119.0860 58.9029 28.6482 179.1514 216 V 3.4049 7.5354 118.9263 65.8963 31.5038 178.1389 217 V 3.3519 7.8175 118.3792 65.9923 31.2534 177.7351 218 E 4.0158 8.3327 118.5851 59.2702 29.1702 179.0135 219 L 3.8524 7.5923 119.8470 58.3081 42.0677 179.1599 220 L 3.7902 7.8478 118.9021 57.6474 41.4220 179.6003 221 Q 4.4627 8.2073 119.7659 58.6044 28.4524 178.5680 222 E 4.0499 8.1266 118.4173 58.7085 29.4542 178.6136 223 R 4.5367 7.4743 115.7950 55.0089 30.6343 175.7542 224 D 4.4993 7.9905 117.0878 55.6866 38.8148 175.0262 225 I 4.2190 8.1400 121.3794 62.3999 38.2788 176.5533 226 V 4.0386 7.4810 124.3486 62.9819 31.7478 174.5786 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 52 G 8.34 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.57 4.90 0.00 3.37 3.25 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 0.00 54 T 9.02 5.12 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 1.52 0.00 0.00 55 V 9.11 4.47 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 0.98 0.00 0.00 0.97 0.00 0.00 56 W 8.99 5.12 0.00 3.06 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 57 L 8.19 4.82 0.00 1.58 1.56 0.83 0.81 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 58 T 7.94 5.14 4.59 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 1.52 0.00 0.00 59 G 8.36 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.37 3.94 0.00 1.61 1.58 0.95 0.48 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 61 S 8.40 4.21 0.00 3.74 3.71 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 62 G 9.00 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 63 A 7.69 3.94 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 64 G 8.39 3.52 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 0.00 65 K 8.31 3.86 0.00 1.71 1.76 0.00 1.74 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.49 7.81 66 T 7.73 3.74 4.16 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 1.12 0.00 0.00 67 T 7.70 3.80 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 1.17 0.00 0.00 68 V 8.07 3.55 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 0.79 0.00 0.00 0.88 0.00 0.00 69 S 8.31 4.08 0.00 3.92 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 70 M 8.17 3.94 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.47 0.00 71 A 8.06 4.21 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 72 L 8.48 3.87 0.00 1.70 1.81 0.81 0.74 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 73 E 8.40 3.95 0.00 2.06 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 2.30 2.36 0.00 74 E 8.20 3.95 0.00 2.28 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 2.33 2.41 0.00 75 Y 8.10 4.00 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.31 4.16 0.00 1.95 1.93 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.21 3.67 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 0.95 0.00 0.00 0.95 0.00 0.00 78 C 8.05 4.27 0.00 3.07 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.53 4.63 0.00 3.12 3.29 0.00 5.93 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.88 4.43 2.04 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 1.28 0.71 0.98 0.00 0.00 82 P 0.00 4.60 0.00 2.15 2.04 0.00 3.69 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 83 C 8.56 5.26 0.00 3.07 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 84 Y 8.89 4.83 0.00 2.98 2.35 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 85 T 7.34 4.80 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 1.01 0.00 0.00 86 L 8.64 4.80 0.00 1.67 1.75 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.27 3.76 0.00 2.30 2.33 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 88 G 8.37 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.11 4.44 0.00 2.75 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 90 N 8.04 4.90 0.00 2.95 2.92 0.00 0.00 6.86 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 91 I 7.55 4.36 2.24 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.32 0.97 0.00 0.00 92 R 8.29 3.93 0.00 1.94 2.09 0.00 3.09 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 93 Q 8.17 4.73 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 94 G 8.16 3.79 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 0.00 0.00 0.00 95 L 9.56 3.94 0.00 1.66 1.79 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.32 4.98 0.00 2.93 2.79 0.00 0.00 6.78 6.52 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 97 K 8.28 4.32 0.00 1.90 1.86 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.70 1.36 7.81 98 N 8.07 4.89 0.00 2.85 2.94 0.00 0.00 5.85 7.79 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 99 L 7.69 4.91 0.00 1.76 1.60 0.98 1.06 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 0.00 100 G 9.20 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 0.00 0.00 0.00 *101 F 8.60 4.37 0.00 2.31 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 0.00 0.00 0.00 0.00 102 S 7.88 4.38 0.00 4.04 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 0.00 103 P 0.00 4.19 0.00 2.13 2.08 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 104 E 8.13 3.90 0.00 2.02 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 2.38 2.40 0.00 105 D 8.17 4.43 0.00 2.97 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 0.00 106 R 8.38 3.99 0.00 2.00 2.08 0.00 3.35 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 107 E 8.45 4.02 0.00 2.18 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 2.50 2.49 0.00 108 E 8.30 3.99 0.00 2.10 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 2.31 2.37 0.00 109 N 8.39 4.23 0.00 2.93 3.06 0.00 0.00 6.78 7.90 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 0.00 110 V 7.74 3.63 2.17 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 1.32 0.00 0.00 1.09 0.00 0.00 111 R 8.12 3.92 0.00 2.04 2.06 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 112 R 8.29 3.96 0.00 1.91 2.00 0.00 3.47 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 1.67 1.94 0.00 113 I 7.86 3.74 1.99 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.75 0.00 0.00 114 A 8.69 4.54 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 0.00 115 E 8.61 4.00 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 116 V 8.29 3.73 2.39 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 1.37 0.00 0.00 1.07 0.00 0.00 117 A 8.75 4.32 1.75 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 0.00 118 K 8.45 3.93 0.00 1.70 2.03 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 119 L 8.00 4.00 0.00 1.94 1.58 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.58 4.00 0.00 3.43 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.70 4.38 1.57 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 0.00 122 D 8.41 4.33 0.00 2.73 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 0.00 123 A 7.92 4.21 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 0.00 124 G 7.95 4.06 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 0.00 0.00 0.00 125 L 8.18 4.72 0.00 2.13 1.81 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.78 4.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 127 C 9.34 5.09 0.00 3.22 2.96 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 0.00 128 I 8.67 5.00 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.86 0.00 0.00 129 T 8.65 4.76 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 1.22 0.00 0.00 130 S 8.11 4.54 0.00 3.58 3.33 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 0.00 131 F 7.64 4.78 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.76 3.94 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.93 1.07 0.00 0.00 133 S 8.03 3.93 0.00 4.18 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 0.00 134 P 0.00 4.14 0.00 1.55 2.23 0.00 3.72 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 1.21 1.69 0.00 135 Y 7.39 5.04 0.00 3.25 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 0.00 136 T 9.09 3.80 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 137 Q 8.15 3.93 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 138 D 8.07 4.37 0.00 3.00 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 0.00 139 R 8.03 3.64 0.00 1.96 1.92 0.00 3.37 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 140 N 8.36 4.14 0.00 2.82 2.76 0.00 0.00 7.07 6.62 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 0.00 141 N 8.14 4.16 0.00 2.81 2.76 0.00 0.00 6.90 6.50 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 0.00 142 A 7.64 3.66 0.36 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 0.00 143 R 7.26 2.00 0.00 1.14 1.68 0.00 2.95 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.00 144 Q 7.92 3.92 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.50 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 145 I 7.37 3.58 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.76 1.68 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 163 H 8.10 4.06 0.00 3.23 3.25 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.61 3.44 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 1.02 0.00 0.00 0.88 0.00 0.00 165 C 8.00 3.98 0.00 2.92 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 0.00 166 E 7.75 2.94 0.00 1.74 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 1.56 1.61 0.00 167 Q 7.55 4.04 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 168 R 8.25 3.80 0.00 1.90 1.96 0.00 3.20 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 169 D 8.23 4.45 0.00 3.12 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 0.00 170 V 7.90 3.64 2.07 0.00 0.00 0.00 0.00 0.00 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0.00 3.10 0.00 0.00 0.00 0.00 1.73 1.62 7.81 195 P 0.00 4.07 0.00 1.74 2.09 0.00 2.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.93 0.00 196 E 8.84 4.03 0.00 1.93 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 2.27 2.24 0.00 197 A 7.41 4.73 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.60 0.00 2.64 2.31 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 199 E 8.56 4.33 0.00 2.09 2.28 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 2.57 2.44 0.00 200 L 7.77 4.67 0.00 1.77 1.48 0.91 0.66 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 0.00 201 V 8.46 4.82 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 0.75 0.00 0.00 1.10 0.00 0.00 202 L 8.96 4.40 0.00 1.50 1.51 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 203 K 8.68 4.73 0.00 1.61 1.68 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.16 7.81 204 T 8.20 4.11 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 1.14 0.00 0.00 205 D 7.89 4.50 0.00 2.76 2.77 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 0.00 206 S 7.76 4.65 0.00 3.95 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 0.00 207 C 7.51 4.75 0.00 3.00 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 0.00 208 D 8.21 4.67 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 V 8.11 3.51 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.89 0.00 0.00 210 N 8.07 4.31 0.00 2.76 2.84 0.00 0.00 7.13 8.08 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 0.00 211 D 8.68 4.32 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 C 8.19 4.02 0.00 3.07 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 0.00 213 V 7.93 3.46 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 0.86 0.00 0.00 0.93 0.00 0.00 214 Q 8.01 3.80 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 215 Q 8.08 4.06 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 216 V 7.54 3.40 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.89 0.00 0.00 217 V 7.82 3.35 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.08 0.00 0.00 218 E 8.33 4.02 0.00 2.16 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 2.28 2.32 0.00 219 L 7.59 3.85 0.00 1.78 1.66 0.95 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 220 L 7.85 3.79 0.00 1.75 1.62 0.83 0.88 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 0.00 221 Q 8.21 4.46 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 222 E 8.13 4.05 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 223 R 7.47 4.54 0.00 1.96 2.15 0.00 3.66 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 224 D 7.99 4.50 0.00 2.88 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 0.00 225 I 8.14 4.22 1.91 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 1.44 1.00 1.00 0.00 0.00 226 V 7.48 4.04 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 1.06 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.