NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4862 8.1927 115.4158 57.6819 64.7545 174.1829 3 L 3.2449 8.3750 121.1163 57.3315 41.6025 176.9785 4 R 3.3228 7.8703 118.5130 59.4361 30.3990 178.0292 5 S 3.9467 8.1123 114.0471 61.4809 63.0145 176.1240 6 D 4.3367 8.2585 122.5548 56.6165 40.5059 178.5615 7 L 3.8279 7.9233 121.2355 58.0339 42.0551 178.7871 8 I 3.2251 7.4791 119.8300 64.4171 37.0060 178.1684 9 N 4.1662 7.9401 116.7642 56.1956 38.3427 177.4216 10 A 4.0030 8.0063 122.1600 54.9874 18.4561 179.6197 11 L 3.9472 8.2234 117.8935 58.1584 41.6395 179.3424 12 Y 4.3592 7.9991 116.7288 61.2105 37.8403 178.1048 13 D 4.3786 8.2689 118.8231 57.4557 41.3251 178.0060 14 E 4.1082 8.7103 120.0631 59.4268 29.4832 178.0904 15 N 4.6554 8.3055 115.8409 57.1332 39.0674 176.4609 16 Q 4.1537 8.1903 118.5110 58.8633 28.8717 178.4484 17 K 3.8972 7.9720 118.4024 57.1269 32.6063 176.9556 18 Y 4.9618 7.6562 115.1758 56.0355 40.9059 174.6846 19 D 4.9663 8.6924 122.5640 52.3084 43.2613 176.4053 20 V 3.9018 7.9007 117.8968 61.6120 31.9642 176.0274 21 C 4.7055 8.7626 115.9885 56.6612 30.8688 173.2014 22 G 4.0931 7.1864 106.8429 46.7961 0.0000 171.9311 23 I 4.7432 8.1964 113.3877 59.0450 40.3257 174.6412 24 I 5.2359 8.2605 123.4607 59.3781 40.7800 174.7764 25 S 4.8009 9.1234 123.2366 56.8248 64.7585 175.0091 26 A 3.9887 8.9825 126.4394 55.9600 18.1049 179.1045 27 E 4.2317 8.2021 109.3012 56.1436 29.9746 181.9465 28 G 3.9981 8.7922 107.0690 46.1634 0.0000 173.4249 29 K 4.3790 7.8039 121.5825 55.4304 33.9831 175.3594 30 I 5.0880 8.6106 127.6277 59.8426 40.0242 173.9740 31 Y 4.9569 9.0582 124.5460 55.4939 40.1856 174.1063 32 P 4.7700 0.0000 0.0000 62.2671 32.6343 175.8553 33 L 4.2726 8.3470 121.0285 54.1730 42.5105 177.5305 34 G 4.0027 8.2894 111.7261 44.5906 0.0000 173.2560 35 S 4.5353 8.2601 111.8275 57.8012 63.9132 174.0399 36 D 4.4191 7.8823 121.7761 54.8348 41.9134 176.7092 37 T 3.9456 8.8600 122.1515 67.1333 68.4280 176.3055 38 A 4.0329 8.3074 122.3321 55.1775 18.3055 179.9081 39 V 3.5182 7.8917 118.3560 65.6463 31.6352 178.3877 40 L 3.3382 7.6113 118.2179 57.3322 41.6208 179.0017 41 S 4.2000 7.8905 113.0149 61.7194 61.9687 176.4258 42 T 3.8455 7.8027 112.2149 64.8926 68.3980 176.4322 43 I 3.5775 7.4552 122.8094 64.0140 37.1727 178.5534 44 F 4.1167 7.4719 118.4868 60.1208 38.2862 177.4937 45 E 4.1159 7.9159 118.1041 59.4106 29.5902 178.4937 46 L 4.2077 8.0870 119.0730 57.8267 41.4364 179.2201 47 F 4.2048 8.3260 119.8109 61.5681 39.5307 177.0859 48 S 4.2977 8.2211 113.8614 60.7514 62.6617 176.6068 49 R 3.9233 7.7276 121.2738 59.1244 29.9329 177.2299 50 P 4.2586 0.0000 0.0000 65.2947 31.2992 178.8086 51 I 3.5927 7.4575 118.3058 64.5065 37.1282 178.3749 52 I 3.5583 7.6767 120.7441 64.2744 36.7426 178.1071 53 N 4.3310 8.1396 118.0061 56.2035 38.7431 176.9760 54 K 3.8930 8.0250 121.1992 59.6705 32.3631 178.9875 55 I 3.7714 7.7776 119.9018 64.0649 36.9582 178.2705 56 A 4.0116 8.0310 121.7239 55.3753 18.2859 179.6069 57 E 4.0040 8.4355 117.2380 59.3484 29.2717 179.3611 58 K 3.9386 7.9155 118.9363 59.4327 32.2380 177.4905 59 H 4.7911 7.9174 113.2844 55.1594 28.9014 175.9503 60 G 3.8455 7.9660 108.7401 45.8338 0.0000 173.0481 61 Y 4.4954 8.2519 117.1667 56.5157 39.4225 175.6650 62 I 4.2554 8.2074 124.2505 60.7064 39.0309 174.8772 63 V 4.8799 8.2024 124.4476 61.1153 33.9458 174.2444 64 E 4.7559 9.4056 128.3713 54.6273 32.4924 174.6526 65 E 4.8480 8.8123 125.9519 54.1227 31.6594 174.3470 66 P 4.2107 0.0000 0.0000 63.7344 31.7585 177.5673 67 K 4.3418 8.6030 124.8889 55.2589 32.3627 175.3054 68 Q 4.6425 7.4099 115.6165 53.7932 30.8007 180.5365 69 Q 4.2964 8.4874 120.5735 55.3123 29.5554 175.2624 70 N 4.4807 8.6340 113.0894 54.3683 36.2634 173.7185 71 H 5.0742 7.6153 113.9921 55.2227 32.0747 173.0389 72 Y 4.5887 8.8937 125.3876 56.4495 40.3618 172.7240 73 P 4.3058 0.0000 0.0000 60.7280 33.3562 174.7894 74 D 4.3008 8.7817 119.9446 57.0228 41.2905 177.8711 75 F 4.9390 8.5602 116.1879 55.9312 43.4689 174.0584 76 T 5.1922 9.1929 120.2196 61.8372 71.1878 173.1983 77 L 5.8292 9.2313 126.5404 52.3774 45.0638 175.1869 78 Y 5.1387 7.9143 118.2674 56.0787 41.0508 173.8951 79 K 4.1514 8.2596 121.9543 55.2559 33.1159 176.0854 80 P 4.4019 0.0000 0.0000 65.8998 31.5080 178.0099 81 S 4.2299 8.0814 111.2108 60.6493 63.4196 174.5532 82 E 4.5116 7.5755 122.6275 53.6629 28.1414 174.5930 83 P 3.9379 0.0000 0.0000 65.2604 32.0642 178.0886 84 N 4.5034 7.8909 113.8254 53.4499 38.9369 175.0855 85 K 4.6628 7.2486 116.4356 55.2739 31.1901 176.3208 86 K 4.4650 8.5009 121.1888 56.0970 34.5092 177.9081 87 I 4.6462 8.8677 123.0174 59.4772 39.9898 174.4264 88 A 4.9477 8.4964 129.0312 50.4942 21.0879 175.7811 89 I 4.9950 8.7975 123.0124 59.5346 40.8709 174.0465 90 D 5.3580 9.3225 126.9062 52.4572 44.3120 174.5334 91 I 4.8562 9.2323 126.9445 60.7180 38.3969 175.4503 92 K 4.9867 9.1994 124.6362 55.2593 36.6677 175.4339 93 T 5.6386 8.7032 117.6265 62.9197 73.1059 172.6196 94 T 4.6889 8.8276 117.6077 61.6311 71.5622 171.2003 95 Y 4.7866 7.9053 121.4412 55.0617 41.5990 173.9774 96 T 4.5214 8.7010 109.3435 60.5735 72.3841 174.0100 97 N 4.6569 8.9404 115.3572 53.7760 41.2476 175.0706 *101 E 4.0647 8.0129 117.3590 55.6043 30.5010 175.1940 102 K 4.4626 8.4359 125.5170 56.3129 33.2301 176.0482 103 I 4.6363 9.0018 115.9339 59.2438 41.4017 173.9306 104 K 5.3128 8.0689 122.2803 55.2139 35.3531 174.8813 105 F 5.0948 9.7036 124.5749 55.7727 43.0264 174.1386 106 T 4.7683 8.6920 111.4662 60.6591 69.8222 174.3831 107 L 4.6320 9.0606 126.5042 54.4512 42.7418 177.1419 108 G 3.9448 8.7091 106.0833 44.5165 0.0000 173.9376 109 G 3.6961 7.9732 107.4966 45.5460 0.0000 173.2738 110 Y 4.4453 7.8377 117.4123 56.6940 38.6570 176.8827 111 T 4.6820 7.3479 109.2588 61.4774 71.2066 174.3334 112 S 4.4156 7.3231 118.5061 58.7051 62.1900 176.9502 113 F 4.4898 8.5734 120.9504 59.5997 37.3557 176.0430 114 I 2.9108 6.6875 111.7264 62.4134 37.6312 176.9926 115 R 4.6605 7.6088 117.8906 55.2088 31.6955 175.6009 116 N 4.8036 7.3886 115.7943 51.2889 41.4488 174.2890 117 N 4.3652 8.9965 123.6425 56.3630 39.0154 175.8606 118 T 4.6699 7.8750 104.5844 60.8925 68.1423 173.1565 119 K 4.2077 8.4598 124.9760 56.8516 32.5193 176.4286 120 N 4.0972 8.8912 124.2512 54.0688 36.2887 173.4978 121 I 5.1544 7.2296 115.3702 59.0664 41.5003 175.1162 122 V 3.7093 8.9506 127.2830 65.5975 31.5499 175.8009 123 Y 4.8174 7.5094 113.8718 54.8518 41.1276 173.6661 124 P 4.6118 0.0000 0.0000 63.1818 32.1794 177.5567 125 F 4.4888 9.5960 125.1638 61.4602 39.4504 176.3333 126 D 4.6711 8.3715 117.0303 54.5134 39.5829 176.4742 127 Q 4.1829 8.4396 119.5307 56.5540 29.3851 174.6535 128 Y 4.6623 7.6939 116.9476 56.6927 38.9656 175.3761 129 I 4.4282 8.7495 117.2130 60.9274 38.9329 175.3015 130 A 4.6624 7.3362 123.3106 51.3704 22.7471 175.1241 131 H 5.0654 8.9401 117.0940 54.0931 32.2343 172.4341 132 W 5.4860 9.5922 124.3494 55.0504 32.1058 175.2950 133 I 4.9315 9.0414 124.1298 59.7470 39.4394 174.6314 134 I 4.3334 8.7662 128.6573 59.7204 38.7941 174.7324 135 G 3.2308 7.1965 115.3857 44.1269 0.0000 171.1832 136 Y 5.0365 8.9810 122.9356 56.0412 40.8632 174.9869 137 V 5.4875 9.1083 123.4078 60.2865 35.0911 173.8000 138 Y 5.2632 7.8623 123.5295 55.9020 42.4596 173.4000 139 T 4.9979 9.2013 117.1346 62.2159 70.2836 174.9796 140 R 4.7443 8.5388 125.7061 55.8844 30.6160 176.4772 141 V 4.2602 8.4532 126.9035 63.2238 34.5970 175.0532 *145 K 4.2107 8.5019 120.1323 54.1524 33.0391 174.3452 146 S 4.6247 8.4858 109.9487 60.8109 59.8394 174.4744 147 S 4.9186 8.0158 119.3252 57.9711 63.5941 175.2211 148 L 4.7682 7.8872 118.6114 55.3075 42.0717 176.3027 149 K 4.6049 7.7474 115.6969 55.2366 35.8280 175.2326 150 T 4.5026 7.8713 109.8768 61.2825 70.5104 172.9973 151 Y 4.9223 8.7219 118.6672 56.3666 42.9756 174.1476 152 N 5.2598 9.0210 118.0503 50.8636 40.3303 175.7099 153 I 3.7207 8.6555 121.8083 65.3552 37.1907 178.7359 154 N 4.5636 8.7777 115.8990 54.0027 37.6829 178.1982 155 E 4.7512 8.5677 116.1598 56.8588 30.2488 177.5305 156 L 3.8929 7.8850 122.8253 58.0957 41.6718 179.2993 157 N 4.4524 8.1067 112.8729 54.4814 37.4060 174.8185 158 E 4.3801 8.0222 118.8089 55.8411 30.1395 175.3265 159 I 3.3412 7.0457 119.8768 60.3511 37.5039 174.2186 160 P 4.3321 0.0000 0.0000 62.4851 31.8381 175.6868 161 K 4.4322 8.1093 119.3370 54.2992 34.5274 174.3295 162 P 4.9745 0.0000 0.0000 62.8965 32.4661 174.3767 163 Y 5.6629 7.2156 116.0181 56.8280 41.4278 173.5750 164 K 4.4977 9.6770 117.9741 55.8827 36.4425 175.3181 165 G 3.9686 8.6177 106.8469 46.7165 0.0000 174.4728 166 V 4.0904 7.8069 117.5810 62.6808 32.6229 175.7823 167 K 4.7576 8.9395 126.3632 54.5042 36.0434 175.5021 168 V 4.7768 8.2507 121.1369 60.0852 34.5909 174.1331 169 F 5.2421 8.4183 117.2023 55.3454 42.1983 172.9019 170 L 5.1253 8.4957 120.1724 53.4768 44.3973 175.0294 171 Q 4.5144 9.2273 126.4082 54.2334 33.0282 173.7138 172 D 5.0296 8.7482 123.4544 53.9204 41.5262 177.8220 173 K 3.9397 9.1863 125.2249 59.2754 32.4576 179.1858 174 W 2.7472 7.8950 115.1823 59.0070 28.1628 178.0061 175 V 2.7517 6.4002 118.7190 64.6490 30.8500 177.0261 176 I 4.0293 7.1774 109.7561 59.7309 38.2251 175.1730 177 A 4.4872 7.2579 124.6050 52.4227 19.0360 177.8110 178 G 4.3170 8.8331 112.1174 44.3760 0.0000 173.3221 179 D 4.6843 8.6981 119.6530 52.7960 40.6208 175.6861 180 L 5.1579 8.0642 119.2981 52.7221 44.9027 175.6178 181 A 4.5103 8.9831 125.3185 53.2227 18.4136 177.8834 182 G 4.0509 9.2008 108.6465 47.8172 0.0000 173.8033 183 S 4.3703 7.9997 112.9969 57.7744 65.5985 173.4304 184 G 3.8461 9.0304 109.3648 47.3503 0.0000 175.4082 185 N 4.4014 8.1814 122.3322 54.3154 37.9986 176.2195 186 T 4.2187 7.5443 108.1371 62.5076 69.8555 175.8909 187 T 3.3509 7.4104 109.7128 62.7517 67.6551 170.9948 188 N 5.2404 7.9068 125.0005 52.4394 41.5783 176.4542 189 I 2.8077 8.5480 123.8611 61.0414 38.3422 175.3159 190 G 4.8090 8.3751 113.1555 44.0543 0.0000 173.6016 191 S 5.4050 8.7735 119.0480 56.8953 64.8772 173.5870 192 I 3.9091 8.7102 114.3676 61.5390 38.1355 175.4474 193 H 5.1445 8.6206 122.7676 55.2352 31.1163 172.4407 194 A 4.4528 8.7491 127.1553 51.4861 23.2095 174.6548 195 H 4.8307 9.0683 115.1741 55.2865 30.0889 176.2705 196 Y 4.4318 9.2005 125.3529 62.0439 38.3354 179.5888 197 K 3.7631 8.3540 123.6221 60.1295 31.5668 180.3049 198 D 4.3610 8.3540 119.7608 57.0370 40.5019 178.9777 199 F 3.4705 7.8204 117.9472 60.1778 38.7121 177.6139 200 V 3.3372 6.7883 116.4403 66.0036 31.4146 177.5317 201 E 4.0775 8.0669 115.9782 56.3792 29.6487 176.7708 202 G 3.5185 7.2232 106.9397 46.5728 0.0000 175.3983 203 K 4.0851 7.8107 120.9374 54.6811 30.7881 177.2732 204 G 4.2521 7.8365 111.7528 43.0245 0.0000 170.0151 205 I 4.1696 7.9475 110.2601 61.2947 39.4242 176.1802 206 F 4.6040 7.8582 118.9850 57.2382 39.4536 175.3162 207 D 4.7116 9.8469 124.7099 56.6458 41.2642 176.8686 208 S 3.8761 7.6062 112.3519 56.0776 66.3932 175.6401 209 E 3.3123 6.7393 122.2759 58.9316 29.1174 178.2045 210 D 4.2701 7.6936 117.7516 57.2906 41.2940 177.7065 211 E 4.0290 8.3684 119.9629 59.1627 29.6779 178.4686 212 F 2.3544 8.0624 120.6134 60.8121 39.3170 177.1913 213 L 3.3922 8.0256 118.7627 57.5414 41.2035 178.9539 214 D 4.3149 8.0451 117.1916 57.3398 41.2658 177.1660 215 Y 3.3435 7.8261 120.3358 60.5421 38.4943 178.4447 216 W 3.9156 7.5999 117.5394 59.0267 29.2254 178.4660 217 R 4.1984 8.1095 117.4381 57.7990 29.5169 176.9005 218 N 4.8423 7.2574 114.1584 52.6817 39.4747 173.4877 219 Y 3.2543 7.5387 120.2874 56.8720 39.2290 175.2107 220 E 4.1925 7.2019 126.3866 55.5830 30.5692 177.0335 221 R 4.6134 8.5737 118.6922 57.8194 30.6910 177.2609 222 T 4.7602 7.2571 107.3353 58.9705 73.3833 174.7443 223 S 4.0690 8.6285 119.8947 62.2538 62.5982 177.5237 224 Q 4.0164 8.0597 124.5411 60.9349 28.1235 181.2940 225 L 4.2736 7.5277 124.7314 59.3177 40.8758 181.4461 226 R 3.8561 8.0948 119.5069 58.7213 29.7372 178.4101 227 N 4.5016 8.4740 114.7663 54.7633 38.4708 175.2260 228 D 4.8940 7.2616 117.8778 53.5870 41.3084 176.3835 229 K 4.5205 7.7747 118.7949 56.1074 34.5615 175.4277 230 Y 4.9813 7.0457 114.6663 56.2948 40.9069 174.6949 231 N 4.8517 9.1583 118.3585 53.1905 40.6638 173.5337 232 N 5.1539 7.7186 113.8655 51.4813 40.1385 174.8862 233 I 3.8401 9.1035 117.8699 64.2897 37.7359 178.0072 234 S 4.1652 8.1352 115.7270 61.7593 62.6862 176.3873 235 E 4.1445 9.0451 121.5603 59.3273 29.1684 178.7912 236 Y 3.5830 8.1925 119.9296 60.5474 38.8076 178.0943 237 R 3.7643 8.4013 119.2292 59.0648 30.0327 178.6071 238 N 4.4181 8.1737 117.0922 56.3306 38.9384 176.6601 239 W 4.2152 8.5201 130.2183 60.5230 30.6839 178.0419 240 I 3.1677 7.7108 119.6282 64.4110 36.3417 177.6959 241 Y 4.0065 7.6472 118.8274 60.7295 38.7196 177.9774 242 R 3.6985 7.8507 116.9779 56.9642 30.1757 177.1270 243 G 3.5194 7.2202 107.0355 45.7010 0.0000 173.5169 244 R 2.0000 6.9941 113.9361 54.9546 27.7238 176.8884 245 K 4.2337 6.9669 120.6107 57.5951 31.9725 175.3229 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 2 S 8.19 4.49 0.00 4.04 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 3 L 8.38 3.24 0.00 1.60 1.66 0.71 -0.27 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 4 R 7.87 3.32 0.00 1.46 1.70 0.00 2.76 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.52 0.00 5 S 8.11 3.95 0.00 3.99 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 6 D 8.26 4.34 0.00 2.77 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 7 L 7.92 3.83 0.00 1.76 1.60 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.48 3.23 1.67 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.21 0.12 0.00 0.00 9 N 7.94 4.17 0.00 2.80 2.83 0.00 0.00 6.96 6.54 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 10 A 8.01 4.00 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 11 L 8.22 3.95 0.00 1.66 1.65 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.00 4.36 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.27 4.38 0.00 2.96 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 14 E 8.71 4.11 0.00 2.24 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 1.77 2.34 0.00 15 N 8.31 4.66 0.00 3.11 3.25 0.00 0.00 7.33 7.01 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 16 Q 8.19 4.15 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 17 K 7.97 3.90 0.00 1.39 0.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.46 1.34 7.81 18 Y 7.66 4.96 0.00 3.45 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 19 D 8.69 4.97 0.00 2.69 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 20 V 7.90 3.90 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 0.62 0.00 0.00 0.71 0.00 0.00 21 C 8.76 4.71 0.00 2.91 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 22 G 7.19 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.20 4.74 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.38 0.89 0.00 0.00 24 I 8.26 5.24 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.94 0.00 0.00 25 S 9.12 4.80 0.00 4.00 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 26 A 8.98 3.99 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 27 E 8.20 4.23 0.00 2.00 1.85 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 2.21 1.87 0.00 28 G 8.79 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 29 K 7.80 4.38 0.00 1.88 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.40 1.29 7.81 30 I 8.61 5.09 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.99 0.00 0.00 31 Y 9.06 4.96 0.00 2.90 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 32 P 0.00 4.77 0.00 2.08 1.94 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 33 L 8.35 4.27 0.00 1.60 1.53 0.96 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 34 G 8.29 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 35 S 8.26 4.54 0.00 3.99 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 36 D 7.88 4.42 0.00 2.69 2.57 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 37 T 8.86 3.95 4.28 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 1.32 0.00 0.00 38 A 8.31 4.03 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 39 V 7.89 3.52 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 1.09 0.00 0.00 0.89 0.00 0.00 40 L 7.61 3.34 0.00 1.56 1.26 0.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.89 4.20 0.00 4.01 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 42 T 7.80 3.85 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 43 I 7.46 3.58 1.32 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.21 0.26 0.00 0.00 44 F 7.47 4.12 0.00 2.72 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 0.00 0.00 0.00 45 E 7.92 4.12 0.00 2.21 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 2.42 2.52 0.00 46 L 8.09 4.21 0.00 1.90 1.75 0.91 0.88 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 47 F 8.33 4.20 0.00 3.10 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.22 4.30 0.00 4.20 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 49 R 7.73 3.92 0.00 2.07 2.14 0.00 3.52 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.13 0.00 50 P 0.00 4.26 0.00 2.02 2.02 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 51 I 7.46 3.59 1.87 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.39 0.83 0.00 0.00 52 I 7.68 3.56 1.27 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.64 0.54 0.00 0.00 53 N 8.14 4.33 0.00 2.90 2.79 0.00 0.00 6.84 6.65 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 54 K 8.02 3.89 0.00 1.92 1.90 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 55 I 7.78 3.77 1.82 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 1.61 1.09 0.93 0.00 0.00 56 A 8.03 4.01 1.39 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 0.00 0.00 0.00 57 E 8.44 4.00 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 2.55 2.45 0.00 58 K 7.92 3.94 0.00 1.77 2.06 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.44 7.81 59 H 7.92 4.79 0.00 3.48 3.65 0.00 5.76 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 60 G 7.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.25 4.50 0.00 2.92 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 62 I 8.21 4.26 1.04 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.40 0.69 0.00 0.00 63 V 8.20 4.88 2.13 0.00 0.00 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 0.95 0.00 0.00 64 E 9.41 4.76 0.00 2.21 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 2.36 0.00 65 E 8.81 4.85 0.00 1.83 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.32 0.00 66 P 0.00 4.21 0.00 2.03 2.00 0.00 3.51 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 67 K 8.60 4.34 0.00 1.77 1.70 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 0.99 7.81 68 Q 7.41 4.64 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.02 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 69 Q 8.49 4.30 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.27 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 70 N 8.63 4.48 0.00 2.95 2.97 0.00 0.00 5.82 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 71 H 7.62 5.07 0.00 3.42 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.89 4.59 0.00 3.12 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 73 P 0.00 4.31 0.00 1.70 0.49 0.00 3.72 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.50 0.00 74 D 8.78 4.30 0.00 2.77 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 0.00 0.00 0.00 75 F 8.56 4.94 0.00 2.89 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 76 T 9.19 5.19 4.63 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 1.42 0.00 0.00 77 L 9.23 5.83 0.00 1.41 1.45 0.95 0.46 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 78 Y 7.91 5.14 0.00 2.82 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 79 K 8.26 4.15 0.00 1.57 1.47 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 P 0.00 4.40 0.00 2.00 2.14 0.00 3.54 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 81 S 8.08 4.23 0.00 3.93 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 82 E 7.58 4.51 0.00 2.03 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 2.23 2.08 0.00 83 P 0.00 3.94 0.00 1.88 1.96 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 84 N 7.89 4.50 0.00 2.65 2.80 0.00 0.00 6.69 7.61 0.00 0.00 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 7.25 4.66 0.00 1.64 1.70 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.32 7.81 86 K 8.50 4.46 0.00 0.79 1.22 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.97 7.81 87 I 8.87 4.65 1.52 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.49 -0.28 0.00 0.00 88 A 8.50 4.95 0.69 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 0.00 0.00 89 I 8.80 4.99 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 1.05 0.00 0.00 90 D 9.32 5.36 0.00 2.77 2.64 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 91 I 9.23 4.86 2.07 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 1.28 0.00 0.00 92 K 9.20 4.99 0.00 1.49 1.89 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.40 1.60 7.81 93 T 8.70 5.64 4.52 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 1.79 0.00 0.00 94 T 8.83 4.69 3.66 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.69 4.77 4.53 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 0.00 0.00 1.31 0.00 0.00 107 L 9.06 4.63 0.00 1.49 1.77 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.71 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 0.00 109 G 7.97 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 0.00 0.00 0.00 110 Y 7.84 4.45 0.00 3.39 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.35 4.68 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 1.06 0.00 0.00 112 S 7.32 4.42 0.00 3.95 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 0.00 113 F 8.57 4.49 0.00 3.31 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 6.69 2.91 1.54 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.41 0.54 0.00 0.00 115 R 7.61 4.66 0.00 1.71 1.95 0.00 3.11 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 116 N 7.39 4.80 0.00 2.69 2.69 0.00 0.00 6.41 6.80 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 0.00 117 N 9.00 4.37 0.00 2.85 2.95 0.00 0.00 6.67 7.22 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 0.00 118 T 7.87 4.67 4.31 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 1.29 0.00 0.00 119 K 8.46 4.21 0.00 1.89 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 120 N 8.89 4.10 0.00 3.11 2.91 0.00 0.00 6.48 7.27 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 0.00 121 I 7.23 5.15 1.98 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 1.60 1.10 1.16 0.00 0.00 122 V 8.95 3.71 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 0.59 0.00 0.00 0.97 0.00 0.00 123 Y 7.51 4.82 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 0.00 124 P 0.00 4.61 0.00 2.27 2.27 0.00 3.98 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 125 F 9.60 4.49 0.00 3.25 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 0.00 126 D 8.37 4.67 0.00 2.88 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.44 4.18 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 128 Y 7.69 4.66 0.00 2.77 2.54 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 0.00 129 I 8.75 4.43 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 1.29 0.56 0.87 0.00 0.00 130 A 7.34 4.66 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 0.00 131 H 8.94 5.07 0.00 3.25 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.59 5.49 0.00 3.27 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 0.00 133 I 9.04 4.93 1.96 0.00 0.00 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 1.35 1.08 0.77 0.00 0.00 134 I 8.77 4.33 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.73 0.62 0.00 0.00 135 G 7.20 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 0.00 0.00 0.00 136 Y 8.98 5.04 0.00 2.82 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 0.00 137 V 9.11 5.49 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 1.13 0.00 0.00 1.18 0.00 0.00 138 Y 7.86 5.26 0.00 3.22 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 9.20 5.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 140 R 8.54 4.74 0.00 2.03 1.91 0.00 3.22 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 141 V 8.45 4.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.05 0.00 0.00 *145 K 8.50 4.21 0.00 1.84 1.68 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 146 S 8.49 4.62 0.00 3.86 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 0.00 147 S 8.02 4.92 0.00 3.97 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 0.00 148 L 7.89 4.77 0.00 1.66 1.73 0.95 0.90 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 0.00 149 K 7.75 4.60 0.00 1.60 1.63 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 0.96 7.81 150 T 7.87 4.50 3.84 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 0.53 0.00 0.00 151 Y 8.72 4.92 0.00 2.89 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 0.00 152 N 9.02 5.26 0.00 2.83 2.91 0.00 0.00 7.34 7.06 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 0.00 153 I 8.66 3.72 1.89 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 1.29 0.58 0.93 0.00 0.00 154 N 8.78 4.56 0.00 2.71 2.73 0.00 0.00 6.92 7.29 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 0.00 155 E 8.57 4.75 0.00 2.26 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 0.00 2.29 2.52 0.00 156 L 7.89 3.89 0.00 1.66 1.73 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.11 4.45 0.00 2.81 2.94 0.00 0.00 5.84 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.02 4.38 0.00 1.94 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 2.48 2.47 0.00 159 I 7.05 3.34 1.55 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.42 0.55 0.00 0.00 160 P 0.00 4.33 0.00 2.12 2.00 0.00 3.49 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 161 K 8.11 4.43 0.00 1.35 0.88 0.00 1.42 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.13 1.15 7.81 162 P 0.00 4.97 0.00 2.13 2.24 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 163 Y 7.22 5.66 0.00 3.12 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 0.00 164 K 9.68 4.50 0.00 1.85 1.89 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.46 7.81 165 G 8.62 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 0.00 166 V 7.81 4.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.91 0.00 0.00 167 K 8.94 4.76 0.00 1.19 0.74 0.00 0.71 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.06 0.95 7.81 168 V 8.25 4.78 1.58 0.00 0.00 0.00 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 0.09 0.00 0.00 169 F 8.42 5.24 0.00 3.04 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 0.00 170 L 8.50 5.13 0.00 1.38 1.26 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 9.23 4.51 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.76 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 172 D 8.75 5.03 0.00 2.39 2.57 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 0.00 173 K 9.19 3.94 0.00 1.93 1.89 0.00 1.90 0.00 0.00 1.99 0.00 0.00 3.25 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.30 1.45 7.81 174 W 7.89 2.75 0.00 3.17 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 0.00 175 V 6.40 2.75 1.63 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 0.58 0.00 0.00 -0.81 0.00 0.00 176 I 7.18 4.03 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.91 0.70 0.00 0.00 177 A 7.26 4.49 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 0.00 178 G 8.83 4.32 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 0.00 179 D 8.70 4.68 0.00 2.36 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 0.00 0.00 0.00 180 L 8.06 5.16 0.00 1.74 1.74 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.98 4.51 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 9.20 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 0.00 183 S 8.00 4.37 0.00 3.88 3.84 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 0.00 184 G 9.03 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 N 8.18 4.40 0.00 2.82 2.99 0.00 0.00 5.87 7.71 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 0.00 186 T 7.54 4.22 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 1.20 0.00 0.00 187 T 7.41 3.35 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 188 N 7.91 5.24 0.00 2.74 2.74 0.00 0.00 7.08 7.14 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 0.00 189 I 8.55 2.81 1.53 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.27 0.25 0.00 0.00 190 G 8.38 4.81 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 0.00 0.00 0.00 191 S 8.77 5.40 0.00 4.46 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 0.00 192 I 8.71 3.91 1.70 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.87 0.00 0.00 193 H 8.62 5.14 0.00 3.17 3.27 0.00 5.78 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 0.00 194 A 8.75 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 H 9.07 4.83 0.00 3.44 3.31 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.20 4.43 0.00 3.14 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 0.00 197 K 8.35 3.76 0.00 1.80 1.82 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.12 7.81 198 D 8.35 4.36 0.00 2.53 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.82 3.47 0.00 2.60 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 0.00 200 V 6.79 3.34 1.91 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 0.78 0.00 0.00 0.33 0.00 0.00 201 E 8.07 4.08 0.00 1.86 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 2.25 2.35 0.00 202 G 7.22 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 0.00 203 K 7.81 4.09 0.00 1.80 1.64 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.25 7.81 204 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 0.00 205 I 7.95 4.17 1.56 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 -0.08 0.76 0.00 0.00 206 F 7.86 4.60 0.00 3.54 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 D 9.85 4.71 0.00 2.88 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 0.00 208 S 7.61 3.88 0.00 3.73 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 0.00 209 E 6.74 3.31 0.00 1.16 1.54 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 2.38 2.39 0.00 210 D 7.69 4.27 0.00 2.78 2.62 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 0.00 211 E 8.37 4.03 0.00 2.24 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 0.00 2.62 2.71 0.00 212 F 8.06 2.35 0.00 2.68 3.04 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 0.00 213 L 8.03 3.39 0.00 1.69 1.63 1.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 214 D 8.05 4.31 0.00 2.83 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 0.00 215 Y 7.83 3.34 0.00 2.41 2.57 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 0.00 216 W 7.60 3.92 0.00 2.93 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 0.00 217 R 8.11 4.20 0.00 1.95 1.99 0.00 3.16 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 218 N 7.26 4.84 0.00 2.67 2.49 0.00 0.00 6.93 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 0.00 219 Y 7.54 3.25 0.00 2.23 2.25 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 0.00 220 E 7.20 4.19 0.00 1.56 1.62 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 1.78 1.93 0.00 221 R 8.57 4.61 0.00 1.83 2.08 0.00 3.22 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 222 T 7.26 4.76 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 1.21 0.00 0.00 223 S 8.63 4.07 0.00 3.86 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 0.00 224 Q 8.06 4.02 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.00 0.00 225 L 7.53 4.27 0.00 1.59 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 226 R 8.09 3.86 0.00 1.60 1.84 0.00 2.21 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.44 0.00 227 N 8.47 4.50 0.00 2.77 2.84 0.00 0.00 6.89 8.01 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 0.00 228 D 7.26 4.89 0.00 2.64 2.64 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 0.00 229 K 7.77 4.52 0.00 1.39 1.04 0.00 1.52 0.00 0.00 1.00 0.00 0.00 2.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.45 1.14 7.81 230 Y 7.05 4.98 0.00 3.05 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 0.00 231 N 9.16 4.85 0.00 2.88 2.90 0.00 0.00 6.77 7.80 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 0.00 232 N 7.72 5.15 0.00 3.14 3.01 0.00 0.00 6.38 7.83 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 0.00 233 I 9.10 3.84 1.45 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.42 0.79 0.00 0.00 234 S 8.14 4.17 0.00 4.08 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 0.00 235 E 9.05 4.14 0.00 2.17 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 0.00 2.40 2.62 0.00 236 Y 8.19 3.58 0.00 2.08 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 R 8.40 3.76 0.00 2.07 1.99 0.00 3.25 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.00 0.00 238 N 8.17 4.42 0.00 2.93 3.04 0.00 0.00 6.77 7.98 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 0.00 239 W 8.52 4.22 0.00 3.52 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 0.00 240 I 7.71 3.17 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.36 0.79 0.00 0.00 241 Y 7.65 4.01 0.00 2.94 3.14 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 0.00 242 R 7.85 3.70 0.00 1.88 1.83 0.00 3.23 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.00 0.00 243 G 7.22 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 0.00 244 R 6.99 2.00 0.00 1.50 1.25 0.00 3.01 0.00 0.00 3.06 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.96 0.00 245 K 6.97 4.23 0.00 1.81 1.62 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.