NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2874 8.4444 118.7956 55.6536 30.8125 175.8602 2 V 3.5029 7.1211 118.1280 63.6930 32.5669 174.4782 3 K 4.6740 10.3701 128.2916 54.5816 35.9667 174.6008 4 L 5.2247 8.7396 124.4434 52.9170 44.6709 175.9639 5 L 4.7605 8.8414 124.1335 52.9411 44.6051 176.4256 6 E 5.1124 8.9582 123.7520 56.3444 31.0414 175.8816 7 S 4.5446 9.1326 114.1133 58.6659 66.2900 176.0110 8 G 4.0031 9.3714 108.3136 45.3986 0.0000 174.1389 9 G 4.3653 7.1556 107.7278 44.7362 0.0000 172.4265 10 G 4.0263 7.8614 105.6845 43.1113 0.0000 171.8401 11 L 4.7759 7.9661 122.4544 54.8062 42.8225 176.1645 12 A 4.8693 8.9482 126.4817 50.3787 23.3935 174.3491 13 Q 5.0449 8.3959 117.6623 53.2599 31.1167 173.9879 14 P 4.5083 0.0000 0.0000 64.7391 31.4465 176.7411 15 G 3.9145 9.5444 110.5718 45.4210 0.0000 173.7610 16 G 4.0338 7.8274 106.9950 45.5868 0.0000 172.6806 17 S 5.2535 8.2896 114.1079 56.9951 67.1830 173.5333 18 L 4.4599 8.5771 121.8049 53.8464 45.8747 173.8110 19 K 4.8241 8.5598 126.5109 54.7736 34.0211 175.0620 20 L 4.8010 8.7949 128.0844 53.5818 44.1384 175.6319 21 S 5.4036 9.2813 115.8634 57.0074 66.9285 171.8633 22 C 5.4662 8.7564 122.4389 55.1140 48.3430 172.2176 23 A 5.1289 9.0783 128.2406 50.2871 20.6607 175.5165 24 A 5.8336 8.1943 123.7923 49.6381 22.3195 175.3516 25 S 4.1728 8.6402 111.6957 58.4720 65.8619 176.2997 26 G 4.0215 10.7301 109.2332 45.0903 0.0000 173.0150 27 F 4.8234 6.9153 111.6034 55.6712 40.3541 174.7005 28 D 4.6687 8.6952 122.1976 53.5359 38.8055 175.9479 29 F 3.9330 8.1503 126.3434 60.7932 39.6524 177.5519 30 R 4.0002 8.1553 114.7417 58.3052 29.1640 177.0470 31 R 4.4263 8.4771 116.3778 56.0835 30.7443 175.2034 32 Y 4.9381 7.6446 115.6777 55.7563 40.9978 175.7132 33 W 4.4637 9.0574 121.7158 56.9035 30.8761 175.1789 34 M 5.3079 9.0023 122.0703 54.0270 35.3902 174.9015 35 T 5.1031 8.9870 116.9266 61.6820 73.7096 172.8022 36 W 5.0750 8.6455 123.4523 54.9745 32.1267 174.9835 37 V 5.0592 9.1289 123.8228 61.1555 35.0129 174.1792 38 R 5.0441 9.0037 122.1687 54.5153 33.6454 174.2833 39 Q 4.8676 8.7319 120.1808 54.7113 32.0458 174.0198 40 A 4.7606 8.6429 128.5991 50.5409 20.3353 174.7017 41 P 4.3377 0.0000 0.0000 64.0996 31.7839 176.8401 42 G 4.0080 8.9952 109.9564 46.1230 0.0000 172.7210 43 K 4.6742 7.8819 117.0192 54.7520 35.9792 175.2132 44 G 4.1075 8.1791 107.4626 44.1087 0.0000 173.4654 45 L 4.4817 8.2442 118.5952 54.8157 42.4709 176.2461 46 E 4.7127 9.0478 121.6658 54.2083 32.8405 174.2797 47 W 4.5346 9.1598 135.0000 57.9898 31.0775 175.3131 48 I 3.7278 8.6964 128.0266 61.2489 38.5293 176.1952 49 G 2.8016 5.3858 108.5790 45.5489 0.0000 170.3434 50 D 5.4721 8.0718 118.7744 51.7338 43.7739 174.2097 51 I 5.0434 8.9609 119.0193 59.1613 41.7129 174.4921 52 N 3.1400 7.9132 126.5119 50.8549 38.3447 173.6429 52A P 3.8153 0.0000 0.0000 66.4350 31.5226 177.2473 53 D 4.5217 7.6086 115.2656 53.3213 39.3094 176.4380 54 S 3.6227 7.7783 112.2188 60.0051 61.2301 173.7615 55 R 4.0558 8.0166 120.0610 58.2443 30.2631 176.7291 56 T 4.6504 9.5774 115.5831 61.6034 71.7678 173.3789 57 I 4.7398 8.3963 126.3749 59.8458 40.5782 174.3177 58 N 5.0894 8.8894 125.1927 52.2432 40.4570 174.2362 59 Y 5.1596 8.5860 119.2444 55.9141 41.8815 175.2485 60 M 4.7245 8.7242 119.3647 54.5166 32.5729 174.5374 61 P 4.4313 0.0000 0.0000 63.2963 31.0956 175.4254 62 S 4.6560 8.1419 118.7748 57.2341 65.8512 173.4354 63 L 4.5102 8.2495 118.6731 53.3649 42.9378 175.9740 64 K 3.9518 8.4424 121.7566 58.3294 32.4267 175.9075 65 D 4.3007 8.7413 122.7641 54.9218 38.7024 174.4899 66 K 3.8032 7.8686 122.7942 58.6709 32.2774 176.5356 67 F 5.3722 7.5161 114.0825 54.7709 43.2112 175.7309 68 I 4.6820 8.2142 121.0800 60.1374 39.9411 174.0097 69 I 4.8196 9.2344 128.5874 61.1931 38.1823 175.4868 70 S 4.9152 9.0347 119.2551 58.0039 66.8326 172.8393 71 R 5.1919 8.4229 115.2757 55.5779 32.5455 174.8596 72 D 4.8711 9.2032 119.6170 52.1552 41.9474 176.0778 73 N 4.6532 9.0156 121.3756 56.0238 39.1390 177.6154 74 A 4.0120 8.1601 120.2051 54.4289 18.6152 178.1210 75 K 4.3196 7.9849 112.7474 55.3841 32.9114 176.5004 76 N 3.1400 7.3262 115.4962 54.1562 36.6077 173.3744 77 S 5.3910 6.7830 112.3518 55.3993 68.4035 174.4845 78 L 5.1971 7.8313 122.4504 53.5883 45.5873 174.6910 79 Y 5.4827 9.3487 122.6905 56.2438 42.3911 174.5017 80 L 4.6991 8.6936 123.0949 53.6050 45.4923 175.1130 81 Q 4.8528 8.7390 126.3813 54.5966 30.1873 175.0033 82 L 4.7332 9.1869 126.0325 53.7427 43.7531 176.1278 82A S 4.7879 7.9002 114.2092 56.6736 66.5473 173.3685 82B R 3.6506 8.4315 116.3843 56.6919 27.6153 177.4312 82C L 3.9622 7.8586 117.3851 55.1459 42.5108 177.4667 83 R 4.9517 8.4257 119.0448 53.5584 32.5912 176.4892 84 S 4.3631 8.6937 112.8114 61.6278 62.7592 176.4937 85 E 4.0362 8.1906 118.8595 58.7304 29.2543 177.1665 86 D 4.7364 8.3531 117.4178 54.8889 41.2831 176.5314 87 S 4.5885 8.3591 117.1830 59.1993 63.3335 173.5230 88 A 4.3572 8.8009 125.8244 51.5925 23.7168 174.1673 89 L 4.6217 8.0982 121.5412 54.5289 43.5502 174.9547 90 Y 4.7493 8.8865 124.8813 56.9530 39.6846 174.2842 91 Y 5.3733 9.7442 123.8492 56.7494 40.7762 173.8895 92 C 4.1777 9.4679 124.0298 54.8069 41.2737 172.5242 93 V 4.6277 8.4840 126.0112 60.8559 34.4052 174.0542 94 R 4.4606 8.5831 127.9031 55.4039 31.5575 174.5415 95 L 4.9244 8.5257 128.6286 53.3047 43.9188 175.1442 96 D 4.7508 9.4601 128.0895 54.2188 42.2347 174.7739 97 F 5.1686 9.0672 129.5658 56.3951 39.6564 171.9898 98 D 4.8050 8.7949 123.2642 52.6097 41.8787 176.7185 99 V 3.8896 8.4023 119.1231 62.1778 32.4383 177.1173 100 Y 4.1088 8.6305 118.2081 60.1339 38.0068 176.1986 100A N 4.6257 8.0203 112.3355 52.4440 39.6016 174.4637 100B H 3.7517 7.6545 114.5684 56.6426 25.7311 173.5421 100C Y 4.3240 7.6439 120.0012 55.9760 42.4832 174.1870 100D Y 5.3316 7.9791 123.5757 55.0292 40.4148 174.6613 100E V 4.1809 7.7232 123.5181 60.7878 35.2394 174.6346 100F L 4.3274 8.3289 126.7753 53.3177 39.7217 176.1874 101 D 4.1294 8.8111 119.0133 57.2976 40.7400 175.9339 102 Y 4.7704 8.4466 116.2987 56.8781 40.8647 175.1886 103 W 5.2040 9.0072 122.3870 54.8704 32.8732 175.5629 104 G 4.1108 8.9172 110.9403 45.7202 0.0000 173.5374 105 Q 4.5270 8.9204 116.7865 55.4318 29.0248 177.3145 106 G 4.0874 8.9957 104.7311 45.4553 0.0000 172.8843 107 T 4.6372 8.3171 113.1384 59.8437 70.3042 173.0625 108 S 4.6734 8.7365 123.7846 58.3427 64.1820 172.8433 109 V 4.7397 8.8651 125.8554 61.7243 34.6018 173.8473 110 T 4.7796 8.5775 124.9368 61.8889 70.9944 174.0159 111 V 4.7215 8.5233 127.2174 61.6803 31.5499 174.4828 112 S 4.8656 8.7537 121.2725 56.8907 65.4886 173.6381 113 S 4.3826 8.7877 116.8420 59.6595 63.7377 174.4522 114 A 4.1579 7.4893 123.6894 52.2197 18.6259 176.2200 115 S 4.9561 8.0979 113.5804 56.2810 65.3040 174.2232 116 T 4.4778 8.5066 112.9322 62.0255 69.3504 173.2240 117 K 4.6196 9.4596 127.2334 54.1785 34.9197 175.8151 118 G 4.3119 9.0251 114.8265 45.8624 0.0000 170.6633 119 P 5.4208 0.0000 0.0000 60.9830 33.9160 174.6688 120 S 4.5491 9.0568 116.5599 56.7393 65.1114 173.6648 121 V 4.3666 7.9297 124.8900 61.5531 32.2343 174.6747 122 F 5.1456 9.0695 127.7900 55.0320 41.9075 173.2122 123 P 4.9636 0.0000 0.0000 62.4340 32.8602 176.5205 124 L 5.0151 9.3107 124.3203 51.7992 40.8302 175.0013 125 A 4.3352 8.3245 123.1762 51.5031 19.4762 175.5350 126 P 4.4536 0.0000 0.0000 62.3846 32.3176 176.3764 127 S 4.1539 8.7955 120.4249 58.0621 62.4829 174.8212 128 S 4.2228 8.8345 123.7449 60.6275 63.0923 174.8099 129 K 4.5403 7.9144 119.6326 56.9385 33.3171 176.5075 130 S 4.2805 7.6781 118.3999 58.2073 61.7384 174.8813 124 T 5.0251 9.3007 116.1203 58.4992 68.2302 172.1013 125 S 4.4852 8.3945 115.0762 57.3031 64.1762 172.3350 126 G 3.9936 8.6208 109.1772 44.1846 0.0000 173.9764 127 G 3.6439 8.8155 113.5249 44.8621 0.0000 175.1212 128 T 4.1028 8.6745 121.6450 64.1275 69.0923 174.9099 129 A 4.5403 7.8644 123.0326 53.2385 19.3171 177.7075 130 A 4.1305 7.6081 126.4999 52.4073 17.0384 178.0813 140 L 4.6809 8.0433 120.0119 54.6988 44.7503 175.4636 141 G 4.0946 7.4506 104.8495 46.2111 0.0000 172.7361 142 C 5.3399 9.1894 116.0946 55.0771 42.0637 173.4050 143 L 4.8343 9.4999 125.5573 53.7097 43.6966 175.5979 144 V 4.6537 9.1089 129.1527 61.5904 32.2594 174.2853 145 K 4.9248 8.9604 129.3969 54.1457 35.1126 174.4674 146 D 4.2775 8.7487 123.1376 55.5090 37.9160 171.6228 147 Y 5.2984 8.0153 118.3741 55.5188 42.8275 175.6185 148 F 5.1605 9.4934 119.8122 57.1676 43.5470 171.7689 149 P 4.0334 0.0000 0.0000 60.8692 33.8322 174.7728 150 E 4.1967 8.5500 118.5685 56.1670 29.8138 174.1088 151 P 5.0322 0.0000 0.0000 60.8156 34.2913 173.9308 152 V 4.6039 7.9577 117.4972 59.8929 34.0992 174.9026 153 T 4.6572 8.6877 112.7553 59.9294 71.6564 172.9855 154 V 5.4804 8.2829 123.6987 60.0301 34.7917 174.4303 *156 S 5.1986 8.4417 120.8756 58.3706 65.2004 172.0708 157 W 5.4589 8.3324 118.8413 53.5014 32.1020 176.3716 *162 N 4.5981 8.2476 121.7851 54.6394 39.2166 174.6584 163 S 3.8341 9.7548 106.8907 59.5861 61.6414 174.3542 164 G 4.0582 8.1981 109.4032 45.4813 0.0000 175.6918 165 A 4.0283 8.0733 122.6110 54.3097 18.4861 177.3456 166 L 4.6800 7.9111 117.6853 53.7442 42.9794 175.7480 167 T 4.5839 8.2940 113.8611 61.1468 70.5439 173.9259 168 S 4.1446 8.0701 117.3979 58.9772 62.9822 173.9073 169 G 3.6575 8.5651 115.8698 45.3619 0.0000 172.3074 *171 V 4.1671 7.2852 118.3296 62.9788 32.7206 174.4023 172 H 4.6312 9.4452 123.9731 54.5298 32.1119 172.7411 173 T 4.8583 8.2903 121.2706 61.6164 69.3408 175.0026 174 F 4.5074 8.7150 126.0889 56.3042 39.8394 174.1727 175 P 4.4117 0.0000 0.0000 62.4119 31.9039 176.2030 176 A 4.5180 8.5312 122.5300 52.5586 19.3732 177.0225 177 V 4.5416 9.0975 113.5411 59.4115 35.3483 174.9428 178 L 4.5802 8.5376 126.1392 54.1256 42.5679 176.3309 179 Q 4.3510 8.8806 126.5518 55.2574 29.6792 177.6025 180 S 4.0223 8.7773 116.2277 61.5305 62.8088 175.8427 *182 S 4.2042 7.9475 112.6108 56.8455 64.3505 174.5520 183 G 3.6889 8.4101 109.5382 45.2950 0.0000 173.1075 184 L 4.5471 7.2248 119.1199 53.1171 44.4732 175.7626 185 Y 4.9479 8.3301 119.8161 57.8875 39.7506 174.4310 186 S 5.5001 8.6923 113.5588 57.8770 66.5834 173.2873 187 L 4.6912 9.4142 124.9458 55.2484 44.2530 173.8723 188 S 5.4276 8.8428 114.5244 56.9702 67.4794 173.3346 189 S 5.0987 9.3897 116.2807 57.2352 65.4561 173.3439 190 V 5.1197 8.9770 120.4114 59.8805 35.9003 175.3092 191 V 5.1526 8.5976 120.3742 61.8601 34.5521 172.7765 192 T 5.2406 8.3123 116.0588 60.7728 70.3434 174.6476 193 V 4.5372 7.9700 117.0246 58.8339 36.0137 172.7919 194 P 4.2724 0.0000 0.0000 63.2477 31.4482 177.3663 195 S 4.2351 8.7730 116.9235 60.8899 63.2806 176.3568 196 S 4.1840 8.1144 114.9936 60.3163 63.1333 175.3300 197 S 4.5887 7.9300 115.4823 58.5230 63.1173 175.5803 198 L 4.3199 7.8557 123.2250 58.2283 41.3960 179.4610 199 G 3.7839 7.9443 104.3741 47.8704 0.0000 174.9346 200 T 4.0334 7.2660 107.8866 62.2646 68.8301 173.8299 *203 Q 4.4804 7.6289 120.1535 56.4717 29.8677 174.2829 *205 T 4.3384 7.9934 115.2699 63.7676 69.8448 173.2596 206 Y 5.1429 8.2256 121.1995 56.5727 41.9858 174.2475 207 I 5.2816 9.6103 125.5877 59.5147 41.3062 172.0753 208 C 4.1344 8.6703 121.6058 53.4912 41.8901 172.4462 209 N 5.1923 9.2958 121.3314 51.0151 39.9140 173.7660 210 V 4.5304 8.7746 125.2355 61.4374 33.7151 174.2798 211 N 5.2491 8.9084 125.2063 52.3849 42.6986 172.6580 212 H 4.8469 9.3196 125.5241 53.8059 30.6417 173.3507 213 K 3.8418 8.7852 123.2859 58.7583 32.4188 177.2885 214 P 4.0822 0.0000 0.0000 65.2239 31.0263 177.1495 215 S 4.5718 7.7079 109.4799 57.0012 63.3043 173.5345 216 N 3.9466 8.3049 116.9843 54.9767 36.6875 173.9731 217 T 4.6335 7.7051 112.9942 62.1690 71.1490 175.0205 218 K 4.8830 8.3830 123.9757 55.0726 35.9122 175.7461 219 V 4.3766 9.0205 125.3157 61.0417 35.2247 174.0918 220 D 5.1710 8.6242 126.2135 52.5439 43.6701 173.9764 221 K 4.5563 8.4333 125.6364 54.5170 34.2643 174.9379 222 K 4.8413 8.6133 129.0672 55.3384 33.2434 175.6479 223 V 4.0623 8.7285 128.9774 62.0267 32.5558 175.1547 *226 E 4.7943 8.5486 126.1227 55.4679 30.6123 173.7791 227 P 4.3785 0.0000 0.0000 61.9697 31.8962 176.7325 228 K 3.7307 8.6628 124.4492 56.9069 32.6237 175.5555 *232 S 4.3680 8.1749 118.6116 58.5420 63.3444 173.1149 233 C 4.4639 8.4054 120.2238 59.9669 28.6304 174.1832 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 E 8.44 4.29 0.00 2.08 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 0.00 2.18 2.36 0.00 2 V 7.12 3.50 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 0.00 0.00 0.10 0.00 0.00 -0.19 0.00 0.00 3 K 10.37 4.67 0.00 1.65 1.67 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.73 7.81 4 L 8.74 5.22 0.00 1.53 1.56 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.84 4.76 0.00 1.56 1.57 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.96 5.11 0.00 1.96 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 0.00 2.70 2.46 0.00 7 S 9.13 4.54 0.00 3.90 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 8 G 9.37 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 9 G 7.16 4.37 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 0.00 10 G 7.86 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.97 4.78 0.00 1.65 1.59 1.05 1.09 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 12 A 8.95 4.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.40 5.04 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 14 P 0.00 4.51 0.00 2.17 2.09 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 15 G 9.54 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 16 G 7.83 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.29 5.25 0.00 3.65 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 18 L 8.58 4.46 0.00 1.62 1.28 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.56 4.82 0.00 1.72 1.64 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.64 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.43 7.81 20 L 8.79 4.80 0.00 1.04 1.42 0.20 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.28 5.40 0.00 4.11 3.78 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 22 C 8.76 5.47 0.00 2.99 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 23 A 9.08 5.13 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.19 5.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.64 4.17 0.00 3.78 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 26 G 10.73 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 6.92 4.82 0.00 2.99 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 28 D 8.70 4.67 0.00 2.86 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 29 F 8.15 3.93 0.00 2.66 2.97 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 30 R 8.16 4.00 0.00 1.96 2.11 0.00 3.08 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 31 R 8.48 4.43 0.00 1.69 1.90 0.00 3.12 0.00 0.00 3.56 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 32 Y 7.64 4.94 0.00 2.92 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 33 W 9.06 4.46 0.00 3.51 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 9.00 5.31 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 35 T 8.99 5.10 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 36 W 8.65 5.07 0.00 3.14 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 37 V 9.13 5.06 2.34 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 1.36 0.00 0.00 0.96 0.00 0.00 38 R 9.00 5.04 0.00 1.13 1.19 0.00 2.21 0.00 0.00 2.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 39 Q 8.73 4.87 0.00 2.42 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 40 A 8.64 4.76 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 41 P 0.00 4.34 0.00 2.12 2.07 0.00 3.88 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 2.10 2.13 0.00 42 G 9.00 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 0.00 0.00 0.00 43 K 7.88 4.67 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.40 7.81 44 G 8.18 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.24 4.48 0.00 1.78 1.83 0.92 0.77 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 46 E 9.05 4.71 0.00 2.06 1.90 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 2.23 2.32 0.00 47 W 9.16 4.53 0.00 3.30 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.70 3.73 1.82 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 0.87 0.60 0.32 0.00 0.00 49 G 5.39 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 0.00 0.00 0.00 50 D 8.07 5.47 0.00 3.25 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 51 I 8.96 5.04 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 1.10 1.45 0.95 0.00 0.00 52 N 7.91 3.14 0.00 1.44 1.42 0.00 0.00 6.70 7.88 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 52A P 0.00 3.82 0.00 1.82 2.22 0.00 2.95 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 53 D 7.61 4.52 0.00 2.69 2.66 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 54 S 7.78 3.62 0.00 4.00 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 55 R 8.02 4.06 0.00 1.88 1.94 0.00 3.29 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 56 T 9.58 4.65 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 1.42 0.00 0.00 57 I 8.40 4.74 1.92 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 1.28 0.54 0.60 0.00 0.00 58 N 8.89 5.09 0.00 3.17 3.10 0.00 0.00 6.40 7.32 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 59 Y 8.59 5.16 0.00 2.90 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 60 M 8.72 4.72 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.40 0.00 61 P 0.00 4.43 0.00 2.15 2.17 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 62 S 8.14 4.66 0.00 4.22 4.10 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 0.00 0.00 0.00 0.00 63 L 8.25 4.51 0.00 1.69 1.59 0.91 0.54 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 64 K 8.44 3.95 0.00 1.69 1.69 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.44 7.81 65 D 8.74 4.30 0.00 2.77 2.63 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 66 K 7.87 3.80 0.00 1.83 1.49 0.00 0.61 0.00 0.00 0.78 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.31 7.81 67 F 7.52 5.37 0.00 2.93 2.95 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 68 I 8.21 4.68 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.99 0.00 0.00 69 I 9.23 4.82 1.86 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 1.11 0.00 0.00 70 S 9.03 4.92 0.00 4.04 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 71 R 8.42 5.19 0.00 2.17 2.04 0.00 2.90 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 72 D 9.20 4.87 0.00 2.97 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 73 N 9.02 4.65 0.00 2.90 2.99 0.00 0.00 6.90 7.54 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 74 A 8.16 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.98 4.32 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.42 7.81 76 N 7.33 3.14 0.00 2.45 2.20 0.00 0.00 6.78 7.23 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 77 S 6.78 5.39 0.00 3.62 3.35 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 78 L 7.83 5.20 0.00 1.85 1.38 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 9.35 5.48 0.00 3.01 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 80 L 8.69 4.70 0.00 0.27 0.16 0.81 0.35 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 81 Q 8.74 4.85 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 82 L 9.19 4.73 0.00 1.53 1.41 0.42 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 82A S 7.90 4.79 0.00 3.75 3.67 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 82B R 8.43 3.65 0.00 1.81 1.92 0.00 3.16 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 82C L 7.86 3.96 0.00 1.69 1.59 0.83 0.49 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 83 R 8.43 4.95 0.00 1.95 2.00 0.00 3.01 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 84 S 8.69 4.36 0.00 4.08 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.19 4.04 0.00 2.03 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 2.36 2.33 0.00 86 D 8.35 4.74 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 87 S 8.36 4.59 0.00 3.86 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 88 A 8.80 4.36 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.10 4.62 0.00 1.80 1.00 1.04 0.85 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 90 Y 8.89 4.75 0.00 3.04 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 91 Y 9.74 5.37 0.00 3.13 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 92 C 9.47 4.18 0.00 2.45 2.94 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 93 V 8.48 4.63 1.46 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 -0.53 0.00 0.00 0.03 0.00 0.00 94 R 8.58 4.46 0.00 1.61 1.59 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.19 0.00 95 L 8.53 4.92 0.00 1.74 1.89 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 D 9.46 4.75 0.00 3.08 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 9.07 5.17 0.00 2.95 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 98 D 8.79 4.80 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.40 3.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.32 0.00 0.00 100 Y 8.63 4.11 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100A N 8.02 4.63 0.00 2.81 2.78 0.00 0.00 7.13 8.04 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 100B H 7.65 3.75 0.00 3.27 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100C Y 7.64 4.32 0.00 2.77 2.44 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 100D Y 7.98 5.33 0.00 2.54 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100E V 7.72 4.18 1.87 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 0.87 0.00 0.00 -0.24 0.00 0.00 100F L 8.33 4.33 0.00 1.74 1.15 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.81 4.13 0.00 2.76 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 0.00 102 Y 8.45 4.77 0.00 2.80 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 0.00 103 W 9.01 5.20 0.00 2.96 3.07 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 0.00 104 G 8.92 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.92 4.53 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 106 G 9.00 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 0.00 107 T 8.32 4.64 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 1.39 0.00 0.00 108 S 8.74 4.67 0.00 3.96 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 0.00 109 V 8.87 4.74 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 0.87 0.00 0.00 0.65 0.00 0.00 110 T 8.58 4.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 111 V 8.52 4.72 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 0.77 0.00 0.00 0.99 0.00 0.00 112 S 8.75 4.87 0.00 4.15 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 0.00 113 S 8.79 4.38 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.49 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.10 4.96 0.00 4.02 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 0.00 116 T 8.51 4.48 4.37 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 1.26 0.00 0.00 117 K 9.46 4.62 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.43 7.81 118 G 9.03 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 0.00 0.00 0.00 0.00 119 P 0.00 5.42 0.00 2.11 2.19 0.00 3.40 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 120 S 9.06 4.55 0.00 3.79 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.93 4.37 1.90 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 0.67 0.00 0.00 0.79 0.00 0.00 122 F 9.07 5.15 0.00 3.04 2.94 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 0.00 123 P 0.00 4.96 0.00 2.18 2.14 0.00 3.98 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 124 L 9.31 5.02 0.00 1.84 1.72 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.32 4.34 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 0.00 126 P 0.00 4.45 0.00 1.97 2.00 0.00 3.83 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 2.06 2.05 0.00 127 S 8.80 4.15 0.00 3.85 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 0.00 128 S 8.83 4.22 0.00 4.03 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 0.00 129 K 7.91 4.54 0.00 1.99 2.05 0.00 1.38 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.50 7.81 130 S 7.68 4.28 0.00 4.00 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 0.00 124 T 9.30 5.03 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 125 S 8.39 4.49 0.00 3.88 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.62 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.82 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.67 4.10 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 129 A 7.86 4.54 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 0.00 0.00 0.00 0.00 0.00 130 A 7.61 4.13 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 0.00 140 L 8.04 4.68 0.00 1.70 1.62 0.43 -0.20 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 0.00 141 G 7.45 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 0.00 142 C 9.19 5.34 0.00 2.77 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 0.00 143 L 9.50 4.83 0.00 1.86 1.91 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 144 V 9.11 4.65 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 0.59 0.00 0.00 0.88 0.00 0.00 145 K 8.96 4.92 0.00 2.08 1.92 0.00 1.98 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.45 7.81 146 D 8.75 4.28 0.00 3.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 8.02 5.30 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 9.49 5.16 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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*171 V 7.29 4.17 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 0.98 0.00 0.00 0.77 0.00 0.00 172 H 9.45 4.63 0.00 2.84 2.53 0.00 5.64 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 0.00 173 T 8.29 4.86 4.26 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 1.28 0.00 0.00 174 F 8.71 4.51 0.00 3.06 3.06 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 0.00 175 P 0.00 4.41 0.00 2.25 2.12 0.00 4.07 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 176 A 8.53 4.52 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 0.00 177 V 9.10 4.54 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 0.85 0.00 0.00 1.06 0.00 0.00 178 L 8.54 4.58 0.00 1.79 1.63 0.31 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 8.88 4.35 0.00 2.19 1.96 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0.00 0.00 0.00 0.00 0.00 0.00 197 S 7.93 4.59 0.00 4.12 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 L 7.86 4.32 0.00 1.90 1.88 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 199 G 7.94 3.78 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 0.00 0.00 0.00 200 T 7.27 4.03 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 1.21 0.00 0.00 *203 Q 7.63 4.48 0.00 2.17 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 *205 T 7.99 4.34 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 1.20 0.00 0.00 206 Y 8.23 5.14 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 I 9.61 5.28 1.93 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 1.34 1.35 0.94 0.00 0.00 208 C 8.67 4.13 0.00 1.23 1.18 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 0.00 209 N 9.30 5.19 0.00 2.44 2.78 0.00 0.00 6.44 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 0.00 210 V 8.77 4.53 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.74 0.00 0.00 211 N 8.91 5.25 0.00 2.77 2.51 0.00 0.00 6.37 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 H 9.32 4.85 0.00 3.01 3.02 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.79 3.84 0.00 1.82 1.86 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.44 7.81 214 P 0.00 4.08 0.00 1.97 2.15 0.00 3.68 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 2.13 2.12 0.00 215 S 7.71 4.57 0.00 3.95 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 0.00 216 N 8.30 3.95 0.00 2.77 2.89 0.00 0.00 6.82 7.86 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 0.00 217 T 7.71 4.63 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 0.00 218 K 8.38 4.88 0.00 1.54 1.63 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.40 7.81 219 V 9.02 4.38 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 0.88 0.00 0.00 0.86 0.00 0.00 220 D 8.62 5.17 0.00 2.55 2.51 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 0.00 221 K 8.43 4.56 0.00 1.82 1.58 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 222 K 8.61 4.84 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.48 7.81 223 V 8.73 4.06 2.38 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 1.03 0.00 0.00 1.26 0.00 0.00 *226 E 8.55 4.79 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 227 P 0.00 4.38 0.00 2.08 2.03 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 228 K 8.66 3.73 0.00 1.81 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.72 1.47 7.81 *232 S 8.17 4.37 0.00 3.92 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 0.00 233 C 8.41 4.46 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.