NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 D 4.6161 8.2185 119.5546 53.3370 42.5333 177.5495 47 A 3.9168 7.8510 122.1110 53.8765 18.2464 174.3655 48 V 3.6639 7.8693 116.6211 66.0716 32.1991 176.3603 49 S 4.1810 8.0868 112.4100 61.2829 62.1286 176.1594 50 L 3.9500 7.8337 121.3727 58.0235 41.5938 179.9452 51 V 3.7216 7.4492 110.7915 64.1341 31.4114 178.5489 52 E 3.9743 8.6347 119.1605 59.4293 29.2569 179.3239 53 R 3.9180 8.0497 118.7470 59.4377 30.1092 178.4748 54 Q 3.9848 8.1070 118.0070 58.8527 28.6248 179.1966 55 V 3.5357 7.6255 118.8359 66.0127 31.5710 178.1388 56 R 3.9200 8.0036 117.7903 59.4649 29.9650 179.0415 57 L 3.9820 8.0822 118.5709 57.8422 41.5400 179.6547 58 L 4.0233 7.9371 118.9182 57.7149 41.4341 179.8595 59 R 3.8953 8.1904 118.0903 59.2006 29.9851 178.6807 60 E 3.9534 8.3472 118.5861 59.6342 29.2960 179.6820 61 R 3.9125 7.8019 116.2171 59.5469 30.2655 178.6200 62 N 4.4912 8.1336 114.8350 56.2517 38.8392 177.3453 63 I 3.9171 8.1251 121.6134 64.2108 37.2008 178.6756 64 E 3.7527 8.1074 117.4068 57.3494 29.5977 178.4832 *66 R 4.2742 7.9664 118.4108 56.0762 32.4368 177.4771 67 H 4.1380 8.2907 116.9222 59.2326 29.7588 177.5945 68 R 3.8607 7.9649 119.8544 59.0889 29.7102 178.5543 69 L 3.9085 7.8803 118.2449 58.4189 42.1075 178.5267 70 S 4.1969 7.7485 111.3759 61.4590 62.7089 175.5531 71 Q 4.1082 8.2475 122.4538 58.8380 28.7750 178.2636 72 L 4.4495 8.1837 119.8088 54.9500 41.8118 179.0148 *74 D 4.5513 8.0729 119.4742 54.6242 42.9124 178.6747 75 V 3.6755 7.6022 111.5044 64.0617 31.3844 178.5376 76 A 3.9779 8.0582 120.6571 55.3994 18.1949 179.8397 77 R 3.8964 7.9821 116.0174 59.4099 30.0399 178.8439 78 E 3.9608 8.2821 119.1171 59.3928 29.6791 178.6620 79 N 4.4267 8.4534 116.6533 56.1590 38.5467 176.8833 80 D 4.4062 8.2786 119.7166 57.3078 41.1941 178.5914 81 R 3.8778 7.7829 118.2642 59.3657 30.1778 178.7687 82 L 4.0232 8.2255 119.0155 57.9506 41.6104 179.5993 83 F 4.0947 8.4759 120.3226 61.4517 39.4229 176.7728 84 D 4.1728 8.3520 117.6761 57.2136 41.0185 178.3470 85 K 3.8108 8.2615 119.4913 59.4013 31.8784 179.5896 86 T 4.0729 7.9039 116.1405 66.5619 68.3360 176.4386 87 R 3.6536 7.6008 120.6060 59.7461 29.9336 178.6628 88 R 3.8594 7.8169 117.5259 59.0000 29.9145 178.9142 89 L 3.9369 8.0308 120.0918 58.1075 42.1240 179.0628 90 V 3.5758 8.1276 118.5259 66.1515 31.4923 178.0074 91 L 3.9704 8.1665 118.8605 57.9176 41.2410 179.2266 92 D 4.3949 8.1306 117.9671 57.3215 40.8999 178.5964 93 L 4.1649 8.3049 119.8274 57.8849 41.4421 179.5982 94 L 4.0348 7.9931 117.8119 57.3479 41.6255 178.3520 95 D 4.6600 7.9362 115.8694 53.2010 41.5498 176.7030 96 A 4.1147 7.2065 124.1636 52.7844 18.7686 177.6708 97 T 4.6231 8.4764 111.1667 61.7965 70.3183 174.5967 98 S 4.4572 7.2850 116.5424 55.8105 67.5105 174.3251 99 L 3.2660 7.6897 122.8869 57.7559 41.6918 178.4938 100 E 3.8596 7.7999 119.0852 59.2461 29.5945 178.3625 101 D 4.2758 7.9154 119.0049 56.9793 40.8218 178.8338 102 V 3.4914 7.5352 118.8828 65.9346 31.5650 178.1828 103 V 3.5132 7.6649 117.7544 66.2024 31.3195 177.9905 104 S 4.1287 8.1397 114.8614 61.9219 62.6074 176.8874 105 T 3.8394 8.0880 118.3987 66.6498 68.2496 176.8201 106 V 3.6019 7.7565 119.9381 66.1237 31.5755 177.9310 107 E 3.9739 8.2319 118.2871 59.3768 29.3082 178.7957 108 D 4.3701 8.3294 118.2535 57.3415 41.2065 178.2838 109 S 4.1086 8.3150 113.5847 61.4786 62.5480 175.9626 110 L 4.2556 8.1349 121.6323 58.1163 41.3722 179.9535 111 R 4.0912 8.1246 117.8411 58.9441 29.8463 178.0000 112 H 4.8777 8.1558 112.5770 55.5329 30.3678 175.1414 113 E 4.2362 8.2713 119.6654 58.1269 30.1769 177.3208 114 F 4.2893 8.0668 113.4799 57.2435 39.8304 175.2909 115 Q 3.8234 7.8433 118.0006 55.6586 25.8861 174.1451 116 V 4.2528 7.8610 116.5753 61.2108 32.7720 173.5743 117 P 4.1728 0.0000 0.0000 65.1674 31.5098 176.1302 118 Y 4.8606 8.2007 115.7380 56.0363 41.0264 174.9638 119 V 4.9968 8.7724 123.5219 61.1465 34.7700 174.4658 120 S 4.5165 9.3326 122.0582 56.3981 65.4758 172.0754 121 L 5.0162 8.6192 128.9958 53.4026 44.1410 175.2801 122 I 4.6269 8.4391 127.6094 59.5316 40.1571 175.0649 123 L 4.7313 8.3199 127.0847 53.4815 44.0071 175.4460 124 F 5.7419 8.2206 120.6480 56.4107 40.2825 175.5747 125 S 4.6965 9.2690 116.9089 57.7228 65.7557 174.9789 126 D 4.5027 9.1594 128.3935 56.4445 40.6144 178.0061 127 S 4.0033 7.1923 116.0242 60.8667 62.8400 179.5848 *133 R 4.3984 7.4792 115.4092 56.2292 31.2682 174.0860 134 S 4.9974 8.3188 113.5464 57.4913 66.0621 173.3312 135 V 4.6753 8.6437 114.6961 59.1653 36.2503 174.9913 136 S 4.6871 9.1818 116.1809 57.5415 63.1107 174.7649 137 S 3.1738 8.8459 120.7921 61.5320 62.0296 176.6030 138 A 4.0022 7.7943 122.6673 55.1151 18.1137 179.5065 139 E 4.1362 8.2004 117.8698 58.7494 29.5026 179.1819 140 A 3.6658 7.9092 121.0339 55.5320 18.4218 179.5165 141 H 4.0131 7.7804 114.5972 58.8858 28.7774 178.1157 142 Q 3.9173 7.9283 119.6251 58.6858 28.2718 178.7665 143 A 4.0278 7.4115 120.8101 54.2606 18.6160 178.8213 144 I 4.4395 7.3289 109.3093 60.1100 38.3704 175.2502 145 G 3.6166 7.8357 110.5241 47.5999 0.0000 174.5142 146 G 4.0453 8.9787 111.1688 45.2828 0.0000 173.8215 147 L 4.2450 7.7045 123.2936 57.2090 42.9121 177.4050 148 L 4.1814 8.0164 121.0662 54.8153 41.3982 179.6936 149 S 5.5505 8.3488 126.5502 57.4107 64.0534 173.9062 *151 G 3.9071 8.1985 116.6213 45.7824 0.0000 172.6081 152 K 4.1839 7.4921 120.3068 54.2205 32.3118 178.1800 153 T 4.4473 8.2238 118.0584 63.2105 69.3090 174.3240 154 V 4.3709 8.4385 127.2397 61.7917 33.4650 174.4999 155 C 5.6134 7.8507 120.8495 56.4024 33.2881 174.2095 156 G 3.8564 8.8473 103.9103 44.9785 0.0000 174.7645 157 V 3.8345 8.1324 125.9108 62.0516 31.0141 176.2013 158 L 4.4219 8.1424 127.6037 53.7531 43.0312 177.4716 159 R 4.2812 8.4052 118.7084 54.9295 31.9945 176.0505 160 P 4.2734 0.0000 0.0000 66.7443 30.9279 178.4995 161 H 4.3283 8.2739 114.2602 57.6322 28.4532 177.0210 162 E 4.0570 7.7086 121.2886 59.0062 29.6100 178.6069 163 L 4.2716 8.1209 118.9250 57.5623 41.6258 179.3443 164 A 4.0522 8.2566 120.9416 55.2518 18.1488 179.5405 165 F 4.1296 7.8107 117.8143 61.2174 39.5340 177.3140 166 L 3.8030 7.8652 117.6101 57.3316 41.6633 178.6751 167 F 4.7502 8.0156 113.7233 55.8941 39.9517 177.1058 168 G 4.1538 7.6901 104.2848 45.3442 0.0000 174.4837 169 E 3.9055 8.7471 120.5195 59.3560 29.9625 178.4703 170 S 4.2770 8.1220 114.3109 61.9604 63.3837 176.4195 171 D 4.5117 8.2246 118.8023 56.8666 41.4381 179.0714 172 R 3.7786 7.9529 119.6287 59.5384 30.1807 178.0361 173 D 4.3683 7.4382 115.3816 56.9354 40.9301 177.1075 174 E 4.2763 8.2589 117.0078 56.3425 29.8145 175.4315 175 I 4.2120 7.2434 121.1026 59.8727 38.1832 175.3542 176 G 4.0443 8.8959 113.6320 47.4408 0.0000 173.7115 177 S 5.2307 7.6648 113.1931 56.5837 67.2139 172.7854 178 A 4.9992 8.4500 118.9770 51.1501 23.0494 175.1711 179 A 5.2477 8.9910 122.7455 49.9941 22.3251 175.6851 180 V 4.9549 8.9574 121.7999 59.8765 35.1333 175.0944 181 V 4.7441 8.4424 120.9926 60.1258 35.1166 174.0118 182 S 4.4794 8.6476 117.6179 58.2258 63.4512 174.1317 183 L 4.6376 8.9229 128.3755 53.3810 41.3794 174.5748 184 S 5.1144 8.1680 116.4955 56.3731 66.1086 173.9344 185 F 4.3993 9.5098 125.5983 58.3323 41.8095 173.9589 186 Q 3.0613 9.2506 130.2010 56.6001 26.2911 173.0605 187 G 4.0465 7.4426 102.7818 43.5958 0.0000 172.4624 188 L 4.6294 8.2800 123.2729 54.0950 42.5052 176.0330 189 H 4.7735 10.9355 124.0292 55.4369 30.1902 175.9731 190 G 2.4493 6.3508 106.3030 44.3048 0.0000 171.5152 191 V 4.7989 7.5878 119.2510 59.8536 35.4191 174.2209 192 L 5.1745 8.8971 124.5144 53.2829 44.9137 174.9305 193 A 5.3773 9.2369 127.7337 50.0318 22.8475 174.5625 194 I 5.2196 8.8451 113.7494 59.2289 41.1570 174.7048 195 G 4.5393 9.4408 111.1775 44.8059 0.0000 171.4374 196 S 5.3787 9.0942 115.8532 55.7058 66.3927 173.2193 197 P 4.9353 0.0000 0.0000 65.3146 31.8122 176.3298 198 D 4.3756 8.1087 121.1375 53.3607 41.1847 174.4774 199 P 4.6363 0.0000 0.0000 63.4918 31.8530 176.8973 200 Q 4.0952 8.3833 120.5075 58.3610 29.3486 175.4336 201 H 4.3319 7.6599 117.5586 56.7837 30.6661 174.2392 202 Y 3.8328 8.4442 123.5154 59.6172 34.9031 171.3997 203 K 4.3813 8.3249 119.1755 56.4421 33.9880 176.8027 204 S 4.8934 7.6647 111.3825 55.8604 65.8257 174.1558 205 S 4.2201 8.6016 116.7379 61.8066 62.5784 176.8751 206 L 4.0822 8.3031 119.9849 57.9552 41.4820 179.8214 207 G 3.8159 7.9252 106.1526 48.1566 0.0000 174.8487 208 T 4.1536 7.6386 109.2749 61.5353 68.6315 176.5110 209 L 3.7440 7.4969 123.9660 57.9274 41.4498 179.1849 210 F 3.9783 7.9607 114.2413 59.6696 37.6266 176.7974 211 L 3.4785 5.8336 119.5725 57.9374 41.7313 179.4429 212 G 3.4419 7.4480 104.6889 47.7357 0.0000 175.2443 213 Y 4.9499 7.0258 119.0788 60.4983 37.8891 178.4610 214 V 3.5754 8.0682 119.1356 66.1506 31.5918 177.8007 215 A 3.9756 8.0892 120.4297 55.2312 18.2092 179.5117 216 E 3.9008 8.1431 116.9052 59.5325 29.6804 179.8010 217 V 3.4892 7.5587 118.0335 65.8312 31.6884 177.6608 218 L 3.9034 8.5130 120.2327 58.3192 41.6725 178.8269 219 A 4.0748 8.0623 119.5642 55.1478 18.3607 179.3458 220 R 3.5270 7.4764 114.8718 57.9781 30.3038 178.3470 221 V 3.9439 7.3624 117.4873 64.7400 32.0969 177.5282 222 L 4.1390 7.8433 118.9699 57.4446 41.2414 177.6383 223 P 4.3637 0.0000 0.0000 65.4000 31.2955 178.1615 224 R 3.9766 7.3599 113.5780 56.9427 29.6806 176.6467 225 F 4.4526 7.8382 123.6123 57.6830 39.9291 174.5505 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 46 D 8.22 4.62 0.00 2.62 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 47 A 7.85 3.92 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 0.00 0.00 0.00 0.00 0.00 48 V 7.87 3.66 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 0.93 0.00 0.00 49 S 8.09 4.18 0.00 3.92 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 50 L 7.83 3.95 0.00 1.94 1.69 0.92 0.74 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 51 V 7.45 3.72 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 1.03 0.00 0.00 0.97 0.00 0.00 52 E 8.63 3.97 0.00 2.21 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 2.33 2.46 0.00 53 R 8.05 3.92 0.00 1.99 2.13 0.00 3.10 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 54 Q 8.11 3.98 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 55 V 7.63 3.54 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 56 R 8.00 3.92 0.00 2.03 1.97 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 57 L 8.08 3.98 0.00 1.68 1.72 0.92 0.50 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 58 L 7.94 4.02 0.00 1.92 1.71 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.19 3.90 0.00 2.02 1.97 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 60 E 8.35 3.95 0.00 2.16 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 2.48 0.00 61 R 7.80 3.91 0.00 2.21 2.00 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 62 N 8.13 4.49 0.00 2.79 2.88 0.00 0.00 7.14 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 63 I 8.13 3.92 1.87 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 1.55 1.28 0.91 0.00 0.00 64 E 8.11 3.75 0.00 2.12 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 2.31 2.24 0.00 *66 R 7.97 4.27 0.00 2.15 2.01 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 67 H 8.29 4.14 0.00 3.28 3.51 0.00 5.78 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 68 R 7.96 3.86 0.00 1.93 1.97 0.00 3.22 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 69 L 7.88 3.91 0.00 1.61 1.86 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.75 4.20 0.00 4.07 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 71 Q 8.25 4.11 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 72 L 8.18 4.45 0.00 1.94 1.65 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *74 D 8.07 4.55 0.00 2.91 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 75 V 7.60 3.68 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 0.81 0.00 0.00 1.04 0.00 0.00 76 A 8.06 3.98 1.37 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 0.00 0.00 0.00 77 R 7.98 3.90 0.00 2.01 2.00 0.00 3.13 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 78 E 8.28 3.96 0.00 2.20 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 0.00 2.34 2.43 0.00 79 N 8.45 4.43 0.00 2.93 2.91 0.00 0.00 6.67 7.59 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 80 D 8.28 4.41 0.00 3.10 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 81 R 7.78 3.88 0.00 2.07 1.89 0.00 3.17 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 82 L 8.23 4.02 0.00 1.82 1.95 1.05 1.22 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 83 F 8.48 4.09 0.00 3.26 3.32 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 84 D 8.35 4.17 0.00 2.98 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 85 K 8.26 3.81 0.00 1.19 0.80 0.00 1.42 0.00 0.00 1.01 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.28 7.81 86 T 7.90 4.07 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 87 R 7.60 3.65 0.00 1.30 1.73 0.00 3.05 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 88 R 7.82 3.86 0.00 1.84 1.92 0.00 3.14 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 89 L 8.03 3.94 0.00 2.01 1.95 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.13 3.58 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 1.03 0.00 0.00 0.96 0.00 0.00 91 L 8.17 3.97 0.00 1.69 1.69 0.90 1.18 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 92 D 8.13 4.39 0.00 2.69 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 93 L 8.30 4.16 0.00 1.90 1.73 0.93 0.58 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 94 L 7.99 4.03 0.00 1.78 1.73 0.91 0.99 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 95 D 7.94 4.66 0.00 2.72 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 96 A 7.21 4.11 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 97 T 8.48 4.62 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 1.30 0.00 0.00 98 S 7.29 4.46 0.00 3.87 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 99 L 7.69 3.27 0.00 1.48 1.51 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.80 3.86 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 101 D 7.92 4.28 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 102 V 7.54 3.49 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 0.96 0.00 0.00 0.86 0.00 0.00 103 V 7.66 3.51 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 0.93 0.00 0.00 0.91 0.00 0.00 104 S 8.14 4.13 0.00 4.01 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 0.00 105 T 8.09 3.84 4.40 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 1.22 0.00 0.00 106 V 7.76 3.60 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 1.03 0.00 0.00 0.95 0.00 0.00 107 E 8.23 3.97 0.00 2.07 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 2.33 2.39 0.00 108 D 8.33 4.37 0.00 2.88 2.86 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 0.00 0.00 0.00 109 S 8.32 4.11 0.00 4.05 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 0.00 110 L 8.13 4.26 0.00 1.99 1.79 0.94 0.84 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 0.00 111 R 8.12 4.09 0.00 1.65 1.67 0.00 3.04 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 112 H 8.16 4.88 0.00 3.19 3.30 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.27 4.24 0.00 1.81 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 114 F 8.07 4.29 0.00 3.17 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 0.00 115 Q 7.84 3.82 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.22 0.00 116 V 7.86 4.25 2.29 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 0.98 0.00 0.00 1.24 0.00 0.00 117 P 0.00 4.17 0.00 2.09 1.83 0.00 4.01 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 118 Y 8.20 4.86 0.00 2.78 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 0.00 119 V 8.77 5.00 2.14 0.00 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0.00 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 R 7.48 4.40 0.00 1.84 2.08 0.00 2.78 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 134 S 8.32 5.00 0.00 4.03 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 0.00 135 V 8.64 4.68 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 0.73 0.00 0.00 1.20 0.00 0.00 136 S 9.18 4.69 0.00 3.84 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 0.00 137 S 8.85 3.17 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.79 4.00 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 0.00 139 E 8.20 4.14 0.00 2.21 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 2.40 2.22 0.00 140 A 7.91 3.67 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 0.00 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0.00 149 S 8.35 5.55 0.00 3.67 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 *151 G 8.20 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.49 4.18 0.00 1.74 1.61 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.28 7.81 153 T 8.22 4.45 4.15 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 1.13 0.00 0.00 154 V 8.44 4.37 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 1.03 0.00 0.00 0.92 0.00 0.00 155 C 7.85 5.61 0.00 3.21 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 0.00 156 G 8.85 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.13 3.83 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 0.84 0.00 0.00 0.98 0.00 0.00 158 L 8.14 4.42 0.00 1.72 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0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 167 F 8.02 4.75 0.00 3.13 3.02 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 0.00 168 G 7.69 4.15 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 0.00 0.00 0.00 169 E 8.75 3.91 0.00 1.94 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 2.31 2.42 0.00 170 S 8.12 4.28 0.00 3.96 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 0.00 171 D 8.22 4.51 0.00 2.92 2.36 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 0.00 172 R 7.95 3.78 0.00 1.98 2.05 0.00 3.10 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 173 D 7.44 4.37 0.00 2.82 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 0.00 174 E 8.26 4.28 0.00 2.00 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 2.33 0.00 175 I 7.24 4.21 1.69 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 -0.32 0.65 0.00 0.00 176 G 8.90 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 S 7.66 5.23 0.00 4.14 4.12 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 0.00 178 A 8.45 5.00 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 0.00 0.00 0.00 0.00 0.00 179 A 8.99 5.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.96 4.95 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 0.82 0.00 0.00 0.91 0.00 0.00 181 V 8.44 4.74 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 0.61 0.00 0.00 0.88 0.00 0.00 182 S 8.65 4.48 0.00 3.93 3.81 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 0.00 183 L 8.92 4.64 0.00 1.61 1.60 0.81 0.57 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 0.00 184 S 8.17 5.11 0.00 3.91 3.81 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 0.00 185 F 9.51 4.40 0.00 3.02 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 0.00 186 Q 9.25 3.06 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.30 0.00 0.00 0.00 0.00 0.00 1.80 1.16 0.00 187 G 7.44 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 0.00 188 L 8.28 4.63 0.00 1.65 1.71 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 189 H 10.94 4.77 0.00 3.15 3.28 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 G 6.35 2.45 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 0.00 191 V 7.59 4.80 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 0.84 0.00 0.00 0.95 0.00 0.00 192 L 8.90 5.17 0.00 1.64 1.41 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 193 A 9.24 5.38 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 I 8.85 5.22 1.67 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.44 0.84 0.00 0.00 195 G 9.44 4.54 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 0.00 196 S 9.09 5.38 0.00 3.87 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 0.00 197 P 0.00 4.94 0.00 2.13 2.43 0.00 3.46 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.89 0.00 198 D 8.11 4.38 0.00 2.75 2.56 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 0.00 0.00 0.00 0.00 199 P 0.00 4.64 0.00 2.22 2.14 0.00 3.40 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 200 Q 8.38 4.10 0.00 2.03 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 201 H 7.66 4.33 0.00 3.12 2.92 0.00 5.96 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 0.00 202 Y 8.44 3.83 0.00 3.19 2.86 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 0.00 0.00 0.00 203 K 8.32 4.38 0.00 2.15 1.87 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 0.96 7.81 204 S 7.66 4.89 0.00 3.96 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 0.00 205 S 8.60 4.22 0.00 3.91 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 0.00 206 L 8.30 4.08 0.00 1.75 1.79 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 207 G 7.93 3.82 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 0.00 0.00 0.00 208 T 7.64 4.15 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 1.29 0.00 0.00 209 L 7.50 3.74 0.00 1.71 1.42 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 210 F 7.96 3.98 0.00 3.06 3.26 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 0.00 211 L 5.83 3.48 0.00 0.90 1.32 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 212 G 7.45 3.44 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 0.00 213 Y 7.03 4.95 0.00 3.16 2.89 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 0.00 214 V 8.07 3.58 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 1.00 0.00 0.00 0.99 0.00 0.00 215 A 8.09 3.98 1.34 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 0.00 0.00 216 E 8.14 3.90 0.00 2.31 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 2.50 0.00 217 V 7.56 3.49 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 0.97 0.00 0.00 0.97 0.00 0.00 218 L 8.51 3.90 0.00 1.77 1.73 0.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 219 A 8.06 4.07 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 0.00 220 R 7.48 3.53 0.00 1.69 1.58 0.00 3.01 0.00 0.00 2.82 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 221 V 7.36 3.94 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.94 0.00 0.00 222 L 7.84 4.14 0.00 1.61 1.67 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 223 P 0.00 4.36 0.00 2.05 2.20 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 224 R 7.36 3.98 0.00 1.42 1.33 0.00 3.00 0.00 0.00 3.11 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 225 F 7.84 4.45 0.00 3.15 2.86 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.