NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 C 4.4321 8.3444 115.6330 57.4753 30.0899 173.1500 57 S 3.9664 8.4692 112.7396 56.1738 62.5163 173.1002 58 P 4.3501 0.0000 0.0000 64.5510 32.5208 176.6103 59 G 4.2471 7.8390 106.5160 46.1574 0.0000 172.3182 60 I 4.9012 7.2882 120.9130 59.6338 38.7970 175.0318 61 W 5.1999 9.7340 126.4011 54.8122 33.6884 174.0321 62 Q 5.0643 9.3670 122.9666 54.4221 31.3233 174.1606 63 L 5.3326 8.0686 125.7472 53.3852 45.0514 175.0712 64 D 4.5367 8.6862 119.5114 54.1360 45.4382 173.8113 65 C 5.3128 8.9075 119.1300 58.3007 31.0216 172.9988 66 T 4.7753 8.6641 116.2976 60.7991 71.1455 171.7028 67 H 5.4157 8.5067 117.9176 54.5817 33.1470 173.6314 68 L 4.4445 8.8645 119.4214 55.0820 45.9313 175.6732 69 E 3.8727 9.7775 121.8773 57.5297 27.0068 175.2479 70 G 3.9417 8.5335 103.0647 46.0542 0.0000 174.1551 71 K 4.6441 7.9337 118.3505 54.0837 35.2088 175.0311 72 V 4.4078 8.1063 120.8292 61.8171 33.3633 174.4709 73 I 4.7088 8.4816 129.0199 59.4641 39.6243 174.3294 74 L 4.4289 8.9684 131.0267 54.0054 43.2780 175.3849 75 V 4.9173 8.9509 126.4925 61.0271 34.5052 174.0244 76 A 5.3705 9.4297 128.6072 50.2432 22.3272 174.9531 77 V 4.7045 9.4141 122.1913 61.4571 35.1265 174.2922 78 H 3.6592 8.9372 128.6236 54.0623 28.7328 175.4912 79 V 3.3387 7.5309 118.6407 64.1881 31.7757 178.2491 80 A 3.9926 7.4658 120.9399 54.0802 18.4176 178.0147 81 S 4.4170 8.0059 108.5859 57.7535 64.7632 175.3531 82 G 3.9170 8.7288 108.7434 44.5527 0.0000 172.8747 83 Y 4.4731 7.7561 122.0518 57.8655 39.7585 174.9747 84 I 5.1188 8.0471 118.3995 59.2412 41.3083 174.3593 85 E 4.8700 9.1691 121.0778 55.0622 33.8742 174.4550 86 A 5.2904 8.5440 123.1466 51.4200 22.7238 174.8963 87 E 4.7612 8.9506 118.1093 55.1577 33.8155 174.5547 88 V 4.4555 8.5489 126.5885 62.6225 31.9107 175.0102 89 I 4.6929 8.6125 121.5875 58.1941 39.9407 174.6958 90 P 4.4397 0.0000 0.0000 65.9753 31.0296 176.1973 91 A 4.5499 7.1325 118.6460 50.7928 22.6210 176.1730 92 E 4.2133 8.5031 122.7276 55.4344 28.4013 175.7126 93 T 4.7395 7.1542 112.6785 59.2687 73.6795 175.2721 94 G 3.9006 8.3221 108.9109 46.9306 0.0000 175.6734 95 Q 3.9345 7.9658 121.3059 59.3922 29.2144 178.2975 96 E 4.1354 7.8922 119.1222 59.5993 29.4282 179.5856 97 T 3.9120 7.9812 115.8781 66.3595 68.4697 176.7643 98 A 4.0768 8.5747 123.3146 55.1948 18.4826 179.0727 99 Y 4.1520 8.1973 118.1209 60.8805 38.9403 177.9516 100 F 3.9244 8.3310 121.6255 61.1798 39.4779 176.8768 101 L 4.0067 8.1873 119.9339 58.1526 41.9555 178.8184 102 L 4.0526 8.0224 118.9644 57.7383 41.2866 179.7837 103 K 3.7569 7.3375 116.8999 59.1634 32.2790 178.7923 104 L 3.8459 7.4986 120.3095 58.1505 42.0430 178.9734 105 A 4.0836 8.4603 121.0921 54.8341 18.1117 179.1159 106 G 3.8270 7.9252 101.7285 45.9756 0.0000 174.5547 107 R 4.1173 7.1387 118.5632 55.8986 31.5389 175.1752 108 W 5.1035 7.4728 115.3577 54.0688 32.9567 174.3123 109 P 4.5131 0.0000 0.0000 61.9877 29.1071 174.3649 110 V 4.3583 8.0199 120.8889 61.9694 31.7341 175.2102 111 K 4.5103 9.2841 127.8321 57.9916 34.2152 177.1435 112 T 5.1579 7.8554 115.2132 61.7576 73.0221 173.3031 113 V 4.8929 8.6299 118.9663 59.9514 34.7659 174.1893 114 H 5.3635 9.1699 123.7693 54.5016 30.8649 174.4210 115 T 4.5588 8.3546 112.4339 60.2997 72.8823 172.8248 116 D 4.9446 8.0746 121.6359 52.3593 41.3299 175.6236 117 N 4.9479 8.7189 115.7870 53.1739 37.6519 175.7814 118 G 4.0472 9.0018 106.1908 46.4201 0.0000 174.9513 119 S 4.3341 9.1232 121.4197 60.7438 62.8612 176.9229 120 N 4.2906 7.9918 119.4665 55.9484 37.0206 177.1427 121 F 4.6228 7.9593 118.4620 59.2104 39.5505 176.5399 122 T 4.6157 7.9828 108.3280 60.7450 69.3460 174.8013 123 S 4.4359 7.1967 117.8434 58.8101 65.0084 175.2658 124 T 3.9562 8.4209 113.7351 65.2118 68.6288 176.6157 125 T 3.8591 7.8730 115.6294 65.0180 67.3711 176.1672 126 V 3.7252 7.7957 119.8334 65.5454 31.6373 177.7548 127 K 4.0044 7.9676 119.2221 59.3859 31.9545 178.6709 128 A 4.0305 8.2849 120.8291 55.0942 18.2969 179.3606 129 A 4.0322 8.0008 119.1859 55.7702 18.3139 179.7152 130 C 4.1867 8.4500 115.2930 62.7192 28.1236 176.0885 131 E 4.2231 8.2579 121.0434 59.0593 29.1278 178.4178 132 W 4.2303 8.4115 127.4483 60.4518 30.8532 177.3116 133 G 3.9994 8.5112 102.1264 43.9179 0.0000 173.4081 134 G 3.8931 7.9728 108.2814 46.6656 0.0000 173.7022 135 I 4.6474 8.6394 120.8782 59.0956 39.2895 175.6941 136 K 4.4165 9.1007 128.7799 55.6012 33.5984 175.1548 137 Q 4.9488 8.6460 125.8962 54.3963 31.0449 174.8332 138 E 4.6355 8.4783 121.7585 54.7823 32.9982 176.2481 139 F 5.4921 8.8172 121.2667 56.2537 40.0225 175.4215 140 G 3.8799 7.8522 110.0819 43.0848 0.0000 171.2880 *145 P 3.9182 0.0000 0.0000 62.9209 31.4555 176.4704 146 Q 3.4763 8.6084 121.8974 56.1846 27.3330 173.1419 147 S 4.2460 7.4105 111.8139 59.1280 61.6256 175.2887 148 Q 4.7705 8.0721 123.1645 56.8033 28.9742 174.8310 149 G 3.6326 9.2379 102.7327 45.5961 0.0000 175.9813 150 V 3.5705 7.1865 120.6808 66.0991 31.4964 177.7802 151 I 3.7146 7.6545 117.9236 63.8666 37.8769 177.3577 152 E 3.9099 7.5817 119.5183 59.2335 29.4017 179.0057 153 S 4.1107 8.4172 115.5849 61.8651 62.9456 176.4977 154 M 4.0182 8.3564 121.7092 58.4583 31.7239 178.4447 155 N 4.2777 8.3139 116.6167 56.4011 38.7783 177.6166 156 K 3.9876 8.0725 119.5554 59.5094 32.1666 179.2173 157 E 3.9707 8.8622 119.6517 59.3121 29.3100 179.1767 158 L 3.9472 8.4793 120.5045 58.2943 42.2112 179.2713 159 K 3.9813 8.1884 118.2287 59.1974 31.8919 179.0994 160 K 3.9259 8.0381 120.2521 59.5260 32.2576 178.7057 161 I 3.8923 7.9972 119.8957 64.7057 37.2468 178.4628 162 I 3.8449 8.2477 120.9400 64.3397 36.6868 178.6200 163 G 3.6793 7.8251 105.5629 48.0851 0.0000 175.5266 164 Q 4.2074 8.0206 119.2549 57.6708 29.0249 178.0643 165 V 4.2958 7.4527 110.6839 60.8631 31.8471 177.4132 166 R 3.9181 7.8583 121.1012 59.4106 30.0005 177.6861 167 D 4.3969 7.9341 114.7540 55.3972 41.2091 176.7660 168 Q 4.2478 7.8947 117.2086 56.3781 29.1594 175.5057 169 A 4.7449 7.2492 119.8343 50.0577 22.4350 176.0692 170 E 3.9606 8.9467 121.3962 59.2438 30.3226 177.4724 171 H 4.9412 7.7358 115.2895 53.8542 32.1653 175.6450 172 L 4.0105 8.4168 124.8135 58.1861 42.0368 179.3873 173 K 3.9651 8.1271 118.3205 60.5462 32.3394 179.1002 174 T 3.8956 7.9247 116.1188 66.1607 68.4136 176.3528 175 A 4.0045 7.8286 122.2776 55.1073 18.4110 179.6776 176 V 3.5522 8.2042 117.1133 66.5361 31.5883 178.3826 177 Q 4.1184 8.0275 117.0765 59.1567 28.4056 178.6693 178 M 4.0834 8.2566 119.7274 58.2205 31.9581 178.6347 179 A 4.0328 8.3066 121.1574 55.1161 18.4965 179.8232 180 V 3.5507 7.9951 116.7993 65.9913 31.6102 177.8541 181 F 4.0352 8.4528 120.3406 61.4860 39.2592 176.9322 182 I 3.9092 8.3505 119.5722 64.8126 36.7562 177.7968 183 H 4.0476 8.4502 117.7514 59.6138 29.9686 176.8767 184 N 4.5290 8.5061 118.0907 55.7275 38.1375 177.1966 185 K 4.0825 7.8571 118.6578 56.4814 32.4925 177.1854 186 K 3.8808 7.4397 121.0489 56.8572 32.2074 177.0433 187 R 4.3814 8.2569 126.4962 54.8371 28.8668 175.8612 188 K 4.0962 8.3226 122.6296 57.2769 32.9236 177.0471 189 G 4.0547 7.7119 106.7529 43.7110 0.0000 173.4163 190 G 3.8725 8.4063 109.1183 44.7433 0.0000 172.8307 191 I 3.6827 8.1190 112.2760 62.8463 37.4224 176.1080 192 G 3.9402 8.9621 111.8867 45.3326 0.0000 173.8389 193 G 3.9676 7.8258 108.2092 45.5246 0.0000 172.2233 194 Y 4.7973 8.3342 116.8087 55.9096 40.2927 177.0083 195 S 4.6294 9.4680 119.3273 57.4708 65.7578 175.3877 196 A 4.0987 8.4790 123.0433 55.2171 17.7873 179.9440 197 G 3.7149 8.5012 104.5967 48.1451 0.0000 175.8347 198 E 4.2246 8.2260 120.4805 58.9701 29.4817 179.5774 199 R 3.8800 8.3742 118.5259 59.1962 30.1167 178.9089 200 I 3.4094 7.5624 118.2966 64.1716 37.9295 178.4055 201 V 3.7506 7.3906 111.8941 64.2563 31.3200 178.2011 202 D 4.3106 8.2412 117.9270 57.3308 40.9777 178.2773 203 I 3.6440 8.0280 120.6935 64.6514 36.9262 178.6303 204 I 3.7800 7.7525 118.9846 63.9736 37.1926 178.1859 205 A 4.1704 8.1414 122.1340 55.4294 17.9739 179.8681 206 T 3.9050 8.0221 108.0781 64.3840 68.5426 175.1290 207 D 4.5354 7.4417 118.6685 54.9742 41.4656 177.2470 208 I 4.0766 7.6187 119.3528 63.6467 37.4377 175.6413 209 Q 4.1992 7.5062 122.4912 55.9512 29.3003 175.0108 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 56 C 8.34 4.43 0.00 3.05 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 57 S 8.47 3.97 0.00 3.94 3.76 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 58 P 0.00 4.35 0.00 2.24 2.14 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 59 G 7.84 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 0.00 0.00 0.00 0.00 60 I 7.29 4.90 1.80 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 1.26 0.89 0.98 0.00 0.00 61 W 9.73 5.20 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 9.37 5.06 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.44 0.00 63 L 8.07 5.33 0.00 1.39 1.57 1.08 1.16 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 64 D 8.69 4.54 0.00 2.67 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 65 C 8.91 5.31 0.00 3.00 2.70 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 0.00 0.00 0.00 0.00 66 T 8.66 4.78 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 1.18 0.00 0.00 67 H 8.51 5.42 0.00 3.03 3.21 0.00 5.78 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 68 L 8.86 4.44 0.00 1.72 1.52 0.93 0.75 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 69 E 9.78 3.87 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 2.23 2.30 0.00 70 G 8.53 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 71 K 7.93 4.64 0.00 1.96 1.69 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.51 7.81 72 V 8.11 4.41 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 0.99 0.00 0.00 0.97 0.00 0.00 73 I 8.48 4.71 1.83 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 1.11 0.64 0.90 0.00 0.00 74 L 8.97 4.43 0.00 1.47 1.26 0.85 0.16 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 75 V 8.95 4.92 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 0.91 0.00 0.00 1.00 0.00 0.00 76 A 9.43 5.37 1.64 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 0.00 0.00 77 V 9.41 4.70 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 1.01 0.00 0.00 0.93 0.00 0.00 78 H 8.94 3.66 0.00 1.40 2.63 0.00 5.68 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.53 3.34 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 0.61 0.00 0.00 0.76 0.00 0.00 80 A 7.47 3.99 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.01 4.42 0.00 3.90 3.89 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 0.00 0.00 0.00 0.00 82 G 8.73 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 83 Y 7.76 4.47 0.00 3.15 2.55 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 84 I 8.05 5.12 1.77 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 0.95 0.66 0.76 0.00 0.00 85 E 9.17 4.87 0.00 2.11 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 2.61 0.00 86 A 8.54 5.29 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 87 E 8.95 4.76 0.00 2.28 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 2.29 2.32 0.00 88 V 8.55 4.46 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 0.87 0.00 0.00 0.95 0.00 0.00 89 I 8.61 4.69 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 0.99 0.00 0.00 90 P 0.00 4.44 0.00 2.19 2.26 0.00 3.89 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 2.00 2.00 0.00 91 A 7.13 4.55 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 92 E 8.50 4.21 0.00 1.94 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 2.21 2.19 0.00 93 T 7.15 4.74 4.21 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 1.18 0.00 0.00 94 G 8.32 3.90 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 0.00 0.00 0.00 95 Q 7.97 3.93 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 96 E 7.89 4.14 0.00 2.00 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 2.32 2.61 0.00 97 T 7.98 3.91 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 1.08 0.00 0.00 98 A 8.57 4.08 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 99 Y 8.20 4.15 0.00 3.14 3.19 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 0.00 100 F 8.33 3.92 0.00 3.16 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 0.00 101 L 8.19 4.01 0.00 2.14 1.71 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.02 4.05 0.00 1.81 1.60 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.34 3.76 0.00 1.49 1.55 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.64 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.12 0.99 7.81 104 L 7.50 3.85 0.00 1.35 1.55 0.59 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.46 4.08 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 0.00 106 G 7.93 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 0.00 107 R 7.14 4.12 0.00 1.77 1.78 0.00 3.01 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.03 0.00 108 W 7.47 5.10 0.00 3.31 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 0.00 109 P 0.00 4.51 0.00 2.34 2.10 0.00 3.95 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 2.26 2.19 0.00 110 V 8.02 4.36 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 0.73 0.00 0.00 0.52 0.00 0.00 111 K 9.28 4.51 0.00 1.98 1.87 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.48 7.81 112 T 7.86 5.16 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 1.12 0.00 0.00 113 V 8.63 4.89 2.07 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 0.85 0.00 0.00 0.93 0.00 0.00 114 H 9.17 5.36 0.00 2.99 3.12 0.00 5.59 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.35 4.56 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 116 D 8.07 4.94 0.00 2.86 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 0.00 117 N 8.72 4.95 0.00 2.84 2.99 0.00 0.00 5.86 7.00 0.00 0.00 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 G 9.00 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 0.00 119 S 9.12 4.33 0.00 3.88 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 0.00 120 N 7.99 4.29 0.00 2.66 3.07 0.00 0.00 6.31 8.12 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 0.00 121 F 7.96 4.62 0.00 3.39 3.28 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 0.00 122 T 7.98 4.62 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 123 S 7.20 4.44 0.00 4.10 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 0.00 124 T 8.42 3.96 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 0.00 125 T 7.87 3.86 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 1.27 0.00 0.00 126 V 7.80 3.73 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 1.25 0.00 0.00 1.04 0.00 0.00 127 K 7.97 4.00 0.00 1.94 2.10 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.55 7.81 128 A 8.28 4.03 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 0.00 129 A 8.00 4.03 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 0.00 130 C 8.45 4.19 0.00 3.22 3.30 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 0.00 131 E 8.26 4.22 0.00 2.23 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 0.00 2.36 2.36 0.00 132 W 8.41 4.23 0.00 3.41 3.45 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 0.00 133 G 8.51 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 0.00 0.00 0.00 134 G 7.97 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.64 4.65 2.00 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 1.36 0.77 0.97 0.00 0.00 136 K 9.10 4.42 0.00 1.81 1.82 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.42 7.81 137 Q 8.65 4.95 0.00 2.01 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 138 E 8.48 4.64 0.00 1.73 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.39 0.00 139 F 8.82 5.49 0.00 2.98 3.09 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 0.00 140 G 7.85 3.88 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 0.00 0.00 0.00 *145 P 0.00 3.92 0.00 2.18 2.06 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 146 Q 8.61 3.48 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 147 S 7.41 4.25 0.00 3.79 3.70 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 0.00 0.00 0.00 0.00 148 Q 8.07 4.77 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 149 G 9.24 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 0.00 150 V 7.19 3.57 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 1.00 0.00 0.00 1.01 0.00 0.00 151 I 7.65 3.71 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 0.98 0.00 0.00 152 E 7.58 3.91 0.00 2.11 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 2.30 2.35 0.00 153 S 8.42 4.11 0.00 4.02 3.89 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 0.00 0.00 0.00 0.00 154 M 8.36 4.02 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 155 N 8.31 4.28 0.00 2.89 2.87 0.00 0.00 7.08 7.91 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 0.00 156 K 8.07 3.99 0.00 1.97 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.72 7.81 157 E 8.86 3.97 0.00 2.20 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 2.35 2.50 0.00 158 L 8.48 3.95 0.00 1.75 1.83 0.92 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 0.00 159 K 8.19 3.98 0.00 2.00 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.64 7.81 160 K 8.04 3.93 0.00 1.85 1.97 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 161 I 8.00 3.89 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.99 1.01 0.00 0.00 162 I 8.25 3.84 2.04 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 1.48 1.37 0.93 0.00 0.00 163 G 7.83 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 0.00 164 Q 8.02 4.21 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 165 V 7.45 4.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.03 0.00 0.00 166 R 7.86 3.92 0.00 2.13 1.94 0.00 3.14 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 167 D 7.93 4.40 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 0.00 168 Q 7.89 4.25 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 169 A 7.25 4.74 1.19 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 0.00 0.00 0.00 170 E 8.95 3.96 0.00 1.89 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 0.00 2.07 2.24 0.00 171 H 7.74 4.94 0.00 3.26 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.42 4.01 0.00 1.93 1.69 0.99 0.57 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 0.00 173 K 8.13 3.97 0.00 2.05 2.09 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.56 7.81 174 T 7.92 3.90 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 1.22 0.00 0.00 175 A 7.83 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.20 3.55 2.31 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 1.06 0.00 0.00 1.03 0.00 0.00 177 Q 8.03 4.12 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 178 M 8.26 4.08 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.49 0.00 179 A 8.31 4.03 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 0.00 180 V 8.00 3.55 2.31 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 1.06 0.00 0.00 0.98 0.00 0.00 181 F 8.45 4.04 0.00 3.29 3.23 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 0.00 182 I 8.35 3.91 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.98 0.00 0.00 183 H 8.45 4.05 0.00 3.13 3.52 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 0.00 184 N 8.51 4.53 0.00 2.75 2.95 0.00 0.00 7.09 8.73 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 0.00 185 K 7.86 4.08 0.00 1.75 1.79 0.00 1.35 0.00 0.00 0.93 0.00 0.00 2.23 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.74 1.25 7.81 186 K 7.44 3.88 0.00 1.93 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.42 7.81 187 R 8.26 4.38 0.00 1.82 1.86 0.00 3.24 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 188 K 8.32 4.10 0.00 1.68 1.82 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.49 7.81 189 G 7.71 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 0.00 190 G 8.41 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 0.00 0.00 0.00 191 I 8.12 3.68 1.86 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 1.35 0.63 0.90 0.00 0.00 192 G 8.96 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 0.00 193 G 7.83 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 8.33 4.80 0.00 2.83 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 0.00 195 S 9.47 4.63 0.00 4.19 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 0.00 196 A 8.48 4.10 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 0.00 197 G 8.50 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 0.00 0.00 0.00 198 E 8.23 4.22 0.00 2.35 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 0.00 2.32 2.35 0.00 199 R 8.37 3.88 0.00 2.06 1.92 0.00 3.06 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 200 I 7.56 3.41 1.32 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 0.68 0.58 0.35 0.00 0.00 201 V 7.39 3.75 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 1.01 0.00 0.00 1.15 0.00 0.00 202 D 8.24 4.31 0.00 2.91 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 0.00 203 I 8.03 3.64 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 0.87 0.00 0.00 204 I 7.75 3.78 2.03 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 1.52 0.51 1.02 0.00 0.00 205 A 8.14 4.17 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 0.00 206 T 8.02 3.90 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 1.27 0.00 0.00 207 D 7.44 4.54 0.00 2.78 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 0.00 208 I 7.62 4.08 2.01 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 1.54 1.03 0.92 0.00 0.00 209 Q 7.51 4.20 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.