NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.8318 8.3349 115.5611 58.3064 63.5850 172.7163 3 E 4.7192 9.4248 127.0222 53.5795 33.4991 173.3578 4 L 5.2856 9.3613 125.5414 53.6183 45.4011 175.3055 5 R 4.8271 9.6898 124.6321 54.4852 34.8672 174.5167 6 I 4.7637 8.3889 122.3040 59.6618 39.0385 175.1149 7 L 4.5035 9.2079 128.8854 54.2224 43.1859 176.3452 8 R 4.8962 8.5158 122.1442 54.3745 31.9169 177.5049 9 A 2.0000 9.0642 127.0381 54.4373 18.5909 180.2488 10 V 3.5827 7.5122 114.2777 64.2837 31.4216 176.5571 11 D 4.7911 7.6165 118.4410 54.0584 40.9515 176.0592 12 Y 4.6157 7.5177 118.2235 57.1023 38.5581 173.9787 13 P 4.6490 0.0000 0.0000 62.4085 32.7541 174.2568 14 R 5.2421 7.7188 116.7031 54.1052 33.1558 171.5551 *16 P 4.1669 0.0000 0.0000 61.7597 32.4543 176.8193 17 W 4.6175 9.0212 123.0759 56.1579 29.5452 177.6826 18 K 3.4742 9.0054 122.6318 59.7259 31.7600 177.1544 19 N 4.5757 8.4476 115.0772 52.3195 37.8672 176.2739 20 G 3.8955 8.9969 107.6516 46.3046 0.0000 174.3425 21 A 4.3006 7.8582 121.8590 52.0602 19.4051 177.8622 22 G 2.9674 6.8156 102.7299 45.3044 0.0000 171.7329 23 S 4.4669 6.6722 112.0421 57.0389 66.5978 173.1973 24 T 5.0632 8.5294 116.4649 61.9678 72.2457 172.7920 25 E 4.9619 9.3807 126.3658 53.6379 31.2317 174.8028 26 E 4.0991 8.5849 126.6544 56.3544 29.7132 176.5043 27 I 3.1488 8.3876 128.6412 63.6040 37.8926 175.8648 28 A 4.5819 7.6065 120.5383 51.6999 22.2860 174.9953 29 R 4.1361 7.9571 114.3502 54.8917 31.9177 174.9206 30 D 3.7949 7.1946 120.2577 55.8388 40.7227 176.2864 31 G 3.9815 7.6271 104.6303 45.6350 0.0000 172.5181 32 G 4.0059 9.1921 106.6921 44.8915 0.0000 172.1387 33 D 4.7639 7.8583 116.6602 52.2537 42.5513 177.3029 34 G 3.9201 8.5516 110.1948 45.0411 0.0000 174.4028 35 L 4.6865 8.4738 120.1191 54.7214 41.1661 176.1088 36 D 4.2412 8.1902 116.8528 53.1249 42.0900 175.3364 37 G 3.9814 8.2277 108.5708 45.0615 0.0000 174.0837 38 F 4.8119 7.0944 113.6681 55.8804 39.5801 175.9087 39 G 4.4937 10.7064 111.0608 48.3307 0.0000 173.5063 40 W 5.9845 7.8958 115.1370 55.6156 31.7467 173.7645 41 R 4.8257 9.1938 120.9202 54.8738 33.3366 173.5165 42 L 5.1307 8.9926 125.9964 53.0462 45.1805 175.6610 43 S 4.9292 8.4610 116.4088 57.5350 67.1333 172.7863 44 I 5.0483 8.8392 120.5780 59.5655 40.4711 174.8692 45 A 5.1582 9.0621 125.3476 50.4478 23.3275 174.6092 46 D 5.0486 8.9036 120.3447 52.6225 43.4655 175.8054 47 V 4.0973 8.7677 125.2485 61.2553 32.2722 176.0549 48 G 3.7915 8.5897 116.7108 48.0359 0.0000 172.3607 49 E 4.9140 7.9133 117.1704 54.2070 33.6841 175.2984 50 S 4.3622 8.6341 116.8686 58.0874 63.6523 174.1565 51 G 4.3032 7.6279 111.7421 44.4192 0.0000 172.1962 52 G 4.0838 8.0673 107.1376 46.1526 0.0000 173.0643 53 F 5.2202 8.5592 120.1455 55.5244 40.6974 176.5020 54 S 4.2685 8.5209 118.7609 58.5539 63.5257 174.2763 55 G 4.1065 8.3689 111.0845 45.1085 0.0000 174.3440 56 F 4.5753 8.7577 116.9737 54.2920 39.5069 173.3679 57 A 4.3104 8.1373 123.5498 54.1080 18.7110 178.6034 58 G 3.7560 9.3379 111.1204 45.3999 0.0000 172.6013 59 Y 4.8274 7.8448 117.2512 56.1409 41.1300 174.3857 60 Q 4.5527 8.4977 123.5760 54.7022 31.1637 174.5895 61 R 4.9204 8.2867 123.9261 54.3507 34.2545 174.6673 62 I 5.0062 8.5678 122.1315 59.7362 41.1837 174.1604 63 I 5.1273 9.3907 127.3767 59.4231 41.6237 174.2752 64 S 5.1055 9.0991 122.7673 56.8209 67.4949 173.6804 65 V 4.0638 8.4964 123.7212 63.2840 32.2827 175.6678 66 L 4.3284 9.1240 126.5574 55.9858 43.4170 176.6956 67 E 4.6197 8.2053 116.3292 55.4561 34.2350 174.6170 68 G 3.9534 9.0308 107.5479 44.2310 0.0000 174.2658 69 G 3.6117 8.4234 107.4698 48.1609 0.0000 173.6036 70 G 3.8024 7.8406 105.7484 44.9492 0.0000 171.6791 *72 R 4.2005 8.3469 119.0034 56.0173 32.1266 174.5711 73 L 4.6966 8.2160 123.1451 52.8079 44.4899 175.3299 74 R 4.7989 8.7167 125.0467 54.8735 31.7923 174.8705 75 V 4.5363 8.7459 128.0149 61.4068 33.6041 175.5139 76 D 4.4894 10.1321 130.4033 55.3267 38.9668 174.9951 77 G 3.8619 8.5141 106.8298 44.8910 0.0000 173.4726 78 A 4.5026 8.0540 122.9154 50.6975 20.2020 176.2916 79 E 4.6548 8.7066 123.2905 55.9305 30.4434 177.3139 80 S 4.5141 8.8022 120.2724 57.6264 64.4734 173.5063 81 A 4.2921 8.2544 123.3529 50.4218 19.1267 175.3810 82 P 4.1736 0.0000 0.0000 62.7501 31.6192 176.3628 83 L 4.4092 8.3592 123.3281 53.3274 42.8147 176.1869 84 R 4.4735 8.7405 123.3284 53.3786 32.8543 175.0428 85 A 4.0489 8.2936 120.5395 54.5607 18.2583 177.5003 86 R 2.5100 8.3608 119.9658 56.6487 28.0141 176.7278 87 Q 4.4831 7.4014 117.6137 53.9929 28.6423 175.4094 88 A 4.6807 8.5977 125.7636 52.1137 19.7413 176.3843 89 F 4.9014 9.5775 122.5789 56.7306 42.9787 173.1061 90 A 5.3060 8.0761 127.8182 50.6433 20.9707 175.5896 91 F 4.7807 8.3290 114.4781 55.7400 42.0383 173.3212 92 S 4.4957 8.7924 115.0896 58.0329 63.3545 175.1046 93 G 3.9615 9.4640 115.0187 47.3784 0.0000 174.7145 94 D 4.5928 8.1208 118.9584 55.2946 41.3932 177.1011 95 S 4.5663 7.6593 115.1955 58.0210 63.8459 172.8988 96 E 4.5144 9.2052 123.9375 55.3015 30.7647 175.0964 97 V 4.9157 8.4046 126.1480 61.2799 35.2073 173.2888 98 H 4.8857 8.9178 126.8202 54.3205 33.1311 171.4100 99 C 4.6956 8.2483 125.9496 57.7939 33.5933 172.2042 100 T 4.7893 8.3640 123.2783 61.5811 70.1084 174.1374 101 L 4.2257 8.4906 127.6956 54.4212 42.2963 177.4406 102 L 4.1686 8.3240 123.6659 57.0981 42.5562 176.9877 103 D 4.4297 7.8963 113.1061 53.0132 42.3032 174.6598 104 G 3.9267 8.1555 106.4789 44.2989 0.0000 171.2034 105 A 4.4979 8.1250 120.3489 52.5838 19.0814 176.5849 106 I 4.8603 8.6068 112.0676 59.5781 42.2176 173.8914 107 R 5.2709 8.7766 120.7295 54.4361 33.5058 174.8685 108 D 5.4686 9.2525 121.6011 51.5984 43.9670 173.8588 109 F 5.2601 9.5492 120.7175 56.4716 42.3284 173.2692 110 N 5.2723 8.7712 123.0677 51.1377 42.4051 172.9803 111 L 4.8305 8.4822 124.5209 53.1880 45.2742 175.0874 112 I 5.0170 8.5596 126.1285 59.6911 40.8307 174.0027 113 Y 5.6341 8.9000 123.9722 55.4539 42.3549 174.3064 114 A 4.6064 9.7649 123.7864 50.3987 18.7125 176.7336 115 P 4.4756 0.0000 0.0000 66.5526 31.5561 178.4169 116 R 4.0763 7.9570 116.7786 58.0906 30.1256 177.1107 117 R 4.5847 7.8441 114.0359 55.9888 31.5649 175.2486 118 H 5.3041 7.9370 114.1027 54.2575 32.9160 173.1392 119 R 4.6040 9.1540 121.4494 55.4928 31.8962 175.4004 120 A 4.8760 8.0914 122.1167 50.4073 22.4403 175.4375 121 R 4.5385 8.7470 120.0093 54.5462 34.1671 173.8294 122 L 4.9280 8.2387 126.3061 53.5644 45.1669 175.0215 123 Q 4.5166 8.8066 127.1813 54.3469 32.7773 173.4358 124 W 4.8189 8.9911 126.7207 56.4991 30.1194 175.6497 125 L 4.9856 9.7142 124.4728 52.9340 45.3219 175.5865 126 R 3.7515 8.2168 123.1459 54.4205 31.1377 175.6212 127 V 4.0439 8.4633 129.0315 61.9055 32.6653 174.8267 128 E 4.0639 8.6775 126.3596 58.4442 31.4489 175.5910 129 G 3.8827 10.1963 120.3577 44.4108 0.0000 173.2204 130 E 5.3860 8.8366 113.7759 54.7284 34.5770 175.4889 131 L 4.8268 8.7281 120.4959 55.0396 44.1207 173.8575 132 D 5.3657 8.6271 119.8200 52.4955 43.0242 173.3811 133 W 5.1181 8.5153 114.7867 56.2722 31.9348 172.7324 134 H 5.3863 9.1183 117.1871 54.2760 31.0087 173.7482 135 G 4.5269 9.5025 108.4060 45.9995 0.0000 173.5979 136 T 4.8029 8.9211 115.1396 61.8287 69.5229 175.1112 137 A 5.0903 8.4104 124.0723 52.3571 18.7691 177.9308 138 S 4.7348 8.7278 115.7249 59.8524 64.7409 174.1314 139 T 5.1296 8.1270 117.5392 61.5336 72.2613 172.7080 140 L 4.9064 9.0922 127.7917 53.0761 45.5595 174.8144 141 L 4.9945 8.9684 126.0684 52.7573 44.7247 175.0815 142 L 4.9465 8.8962 126.6306 53.2749 44.4713 174.5570 143 F 5.1132 8.8792 129.7198 56.8349 41.3485 174.0840 144 A 4.5899 7.9293 128.1740 50.5476 19.9534 177.4677 145 Q 4.0461 9.0320 125.2875 58.0908 29.8144 176.0041 146 Q 4.7578 7.8793 115.2975 53.5207 32.1820 174.6887 147 D 4.4591 8.2854 119.2685 55.0552 41.5183 177.0437 148 G 3.9301 8.6089 108.6110 45.0268 0.0000 172.8679 149 V 4.3763 7.6723 120.2431 61.6170 33.0649 174.3454 150 A 5.1909 9.0558 130.1736 50.3768 21.6772 175.3617 151 I 5.1483 8.5679 121.6691 59.4548 40.9510 174.8857 152 S 5.1426 9.0882 120.3848 56.3808 66.6118 172.6028 153 L 4.4003 8.2341 123.3594 53.7058 45.0130 176.3776 154 Q 3.3561 9.1826 124.9983 56.8723 26.8411 175.1387 155 G 3.8309 8.2590 105.4007 45.3024 0.0000 173.9617 156 Q 4.4386 7.6327 119.9055 53.2066 29.8947 173.5307 157 P 4.6196 0.0000 0.0000 62.9890 31.8004 176.4424 158 R 4.4495 10.4731 120.6947 55.5859 31.7698 176.0200 159 G 4.2429 6.8936 105.0038 43.7481 0.0000 171.2546 160 Q 5.0292 7.8962 119.9799 54.2800 32.1392 174.0880 161 L 4.8186 9.1521 124.6412 53.0330 44.4937 176.1115 162 A 4.5072 8.8793 124.9416 49.7271 21.8180 176.1996 163 A 3.8730 8.8914 122.2015 54.6058 18.4992 178.2839 164 H 3.8781 9.1125 118.9636 55.9541 27.6649 174.9807 165 D 4.8767 7.8847 120.2636 54.4460 42.5758 174.8725 166 C 5.2621 9.2091 120.0836 58.1222 35.4301 172.6108 167 L 4.8119 9.0718 128.9556 54.7751 43.5380 174.8352 168 C 5.2296 9.5732 125.6167 57.6012 34.7471 172.2688 169 A 5.3281 9.2336 128.0229 50.3333 21.6819 174.5479 170 E 4.9665 9.3488 121.6510 55.0291 34.2910 176.4637 171 G 4.0254 8.9783 107.9438 46.4327 0.0000 174.0127 172 L 4.2126 8.1479 120.0744 54.4161 42.1825 176.2984 173 Q 4.6396 8.3700 121.0491 55.0265 31.1969 176.9519 174 G 3.8237 8.6653 111.7661 44.1252 0.0000 171.3079 175 L 4.5558 8.3791 120.9382 55.3258 42.5772 176.7486 176 Q 4.6179 9.2738 125.6476 54.2588 32.1903 174.1021 177 H 4.8657 8.9279 123.8119 54.4728 31.5712 173.0007 178 W 4.9021 8.3218 126.7236 54.8361 31.4434 175.5525 179 R 4.9570 8.7091 123.5805 54.5914 33.0682 173.5637 180 L 5.3018 9.1012 126.3568 53.3013 44.8020 175.4193 181 T 5.2342 8.8042 116.4556 60.6818 71.3843 172.2988 182 A 4.8168 8.8451 126.6110 52.5773 22.6522 176.4513 183 H 4.2498 9.1772 119.1548 57.8834 29.7041 175.1419 184 E 4.1887 7.8885 120.4998 54.7225 30.4605 174.6837 185 P 4.2739 0.0000 0.0000 62.9034 32.1252 175.2884 186 A 4.7155 8.4368 122.8940 50.3755 22.9564 175.2489 187 W 5.0346 8.9927 122.2052 56.3201 31.0626 175.9272 188 V 5.0679 9.4173 116.3249 59.7875 36.2702 173.9697 189 C 4.5612 8.7174 122.1417 57.3515 34.1277 172.3608 190 A 4.8174 8.5564 128.9649 50.3804 20.6165 175.5623 191 V 4.5074 8.6324 123.4707 61.0718 34.2467 174.1077 192 E 4.9833 8.8868 127.4603 54.4176 32.8176 175.0307 193 L 5.0243 8.6724 123.3178 52.9380 45.7124 175.0963 194 D 5.2381 8.8040 123.0098 52.4024 43.9762 176.8471 195 S 4.3809 8.4168 117.8392 58.9578 62.8755 174.1259 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 8.33 4.83 0.00 4.01 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 3 E 9.42 4.72 0.00 1.98 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 2.25 2.36 0.00 4 L 9.36 5.29 0.00 1.67 1.55 1.03 1.08 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 5 R 9.69 4.83 0.00 1.78 1.81 0.00 3.18 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 6 I 8.39 4.76 1.91 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 1.40 0.64 0.95 0.00 0.00 7 L 9.21 4.50 0.00 1.91 1.90 1.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.52 4.90 0.00 1.67 1.74 0.00 3.33 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 9 A 9.06 2.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.51 3.58 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 0.71 0.00 0.00 0.89 0.00 0.00 11 D 7.62 4.79 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.52 4.62 0.00 2.99 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 13 P 0.00 4.65 0.00 2.25 2.25 0.00 3.97 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 14 R 7.72 5.24 0.00 1.78 1.85 0.00 3.07 0.00 0.00 3.62 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 *16 P 0.00 4.17 0.00 2.14 2.00 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 17 W 9.02 4.62 0.00 3.36 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 18 K 9.01 3.47 0.00 1.90 2.02 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 19 N 8.45 4.58 0.00 3.01 3.17 0.00 0.00 6.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.86 4.30 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 0.00 0.00 0.00 0.00 0.00 22 G 6.82 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 0.00 0.00 0.00 23 S 6.67 4.47 0.00 3.76 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 24 T 8.53 5.06 4.44 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 1.31 0.00 0.00 25 E 9.38 4.96 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.13 0.00 26 E 8.58 4.10 0.00 1.89 1.79 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 2.14 2.15 0.00 27 I 8.39 3.15 1.82 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 0.27 0.23 0.91 0.00 0.00 28 A 7.61 4.58 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 29 R 7.96 4.14 0.00 1.38 1.42 0.00 2.95 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 30 D 7.19 3.79 0.00 2.54 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.63 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 0.00 0.00 0.00 32 G 9.19 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 33 D 7.86 4.76 0.00 2.75 2.61 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 0.00 0.00 0.00 0.00 34 G 8.55 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.47 4.69 0.00 1.54 1.56 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.19 4.24 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 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 0.00 0.00 0.00 38 F 7.09 4.81 0.00 3.22 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 39 G 10.71 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 W 7.90 5.98 0.00 3.38 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 76 D 10.13 4.49 0.00 2.78 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 77 G 8.51 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 78 A 8.05 4.50 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 79 E 8.71 4.65 0.00 1.84 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 2.24 2.25 0.00 80 S 8.80 4.51 0.00 3.48 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.25 4.29 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.17 0.00 2.01 1.96 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 83 L 8.36 4.41 0.00 1.58 1.52 0.33 0.84 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 1.19 0.00 0.00 101 L 8.49 4.23 0.00 1.65 1.74 0.99 0.82 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 0.00 102 L 8.32 4.17 0.00 1.62 1.69 0.87 1.01 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 0.00 103 D 7.90 4.43 0.00 2.55 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.16 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 0.00 0.00 0.00 105 A 8.12 4.50 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.61 4.86 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.91 0.00 0.00 107 R 8.78 5.27 0.00 1.83 1.91 0.00 3.18 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 108 D 9.25 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 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1.59 1.68 0.00 117 R 7.84 4.58 0.00 1.69 1.84 0.00 3.10 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 118 H 7.94 5.30 0.00 3.22 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 9.15 4.60 0.00 1.72 1.79 0.00 3.09 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 120 A 8.09 4.88 0.25 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 0.00 121 R 8.75 4.54 0.00 1.70 1.53 0.00 2.94 0.00 0.00 2.90 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 122 L 8.24 4.93 0.00 1.50 1.40 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.81 4.52 0.00 1.99 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 124 W 8.99 4.82 0.00 3.31 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 0.00 125 L 9.71 4.99 0.00 1.54 1.52 0.65 0.59 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 0.00 126 R 8.22 3.75 0.00 0.67 1.17 0.00 2.63 0.00 0.00 2.60 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 127 V 8.46 4.04 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 0.90 0.00 0.00 0.95 0.00 0.00 128 E 8.68 4.06 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 129 G 10.20 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.84 5.39 0.00 1.80 1.81 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 2.18 2.26 0.00 131 L 8.73 4.83 0.00 1.81 1.75 1.28 0.82 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 0.00 132 D 8.63 5.37 0.00 2.80 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 0.00 133 W 8.52 5.12 0.00 3.47 3.37 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 0.00 134 H 9.12 5.39 0.00 3.05 3.28 0.00 5.91 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 0.00 135 G 9.50 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 0.00 0.00 0.00 0.00 136 T 8.92 4.80 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 137 A 8.41 5.09 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 0.00 138 S 8.73 4.73 0.00 3.98 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.13 5.13 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 0.90 0.00 0.00 140 L 9.09 4.91 0.00 1.48 1.19 0.75 -1.22 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 0.00 141 L 8.97 4.99 0.00 1.33 1.42 0.14 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.90 4.95 0.00 1.50 1.46 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.88 5.11 0.00 3.09 2.40 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 0.00 144 A 7.93 4.59 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 0.00 145 Q 9.03 4.05 0.00 2.48 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 146 Q 7.88 4.76 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 147 D 8.29 4.46 0.00 2.63 2.58 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 0.00 0.00 0.00 0.00 148 G 8.61 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 0.00 0.00 0.00 149 V 7.67 4.38 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 0.85 0.00 0.00 0.93 0.00 0.00 150 A 9.06 5.19 1.23 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 0.00 151 I 8.57 5.15 1.97 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 1.35 1.07 1.15 0.00 0.00 152 S 9.09 5.14 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 0.00 153 L 8.23 4.40 0.00 0.84 1.11 -0.73 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 9.18 3.36 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.34 0.00 0.00 0.00 0.00 0.00 1.98 2.25 0.00 155 G 8.26 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 7.63 4.44 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 157 P 0.00 4.62 0.00 2.02 1.97 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 158 R 10.47 4.45 0.00 1.78 1.97 0.00 3.33 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 159 G 6.89 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 0.00 0.00 0.00 0.00 160 Q 7.90 5.03 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 161 L 9.15 4.82 0.00 1.73 1.49 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.88 4.51 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.89 3.87 1.21 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 0.00 0.00 164 H 9.11 3.88 0.00 3.29 3.74 0.00 5.68 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 0.00 165 D 7.88 4.88 0.00 2.71 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 0.00 166 C 9.21 5.26 0.00 3.31 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 9.07 4.81 0.00 1.79 1.50 1.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 168 C 9.57 5.23 0.00 3.04 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 0.00 169 A 9.23 5.33 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 E 9.35 4.97 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 171 G 8.98 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 0.00 172 L 8.15 4.21 0.00 2.08 1.84 1.32 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 8.37 4.64 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 174 G 8.67 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 0.00 175 L 8.38 4.56 0.00 1.69 1.61 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 176 Q 9.27 4.62 0.00 2.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 177 H 8.93 4.87 0.00 2.97 3.02 0.00 5.58 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 0.00 178 W 8.32 4.90 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 R 8.71 4.96 0.00 1.61 1.57 0.00 2.97 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 180 L 9.10 5.30 0.00 1.67 1.58 1.12 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 181 T 8.80 5.23 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 1.27 0.00 0.00 182 A 8.85 4.82 1.23 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 0.00 183 H 9.18 4.25 0.00 3.10 3.31 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 E 7.89 4.19 0.00 1.93 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 2.29 2.27 0.00 185 P 0.00 4.27 0.00 2.02 1.88 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 186 A 8.44 4.72 1.20 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 0.00 0.00 187 W 8.99 5.03 0.00 3.42 3.39 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 0.00 188 V 9.42 5.07 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 0.70 0.00 0.00 1.03 0.00 0.00 189 C 8.72 4.56 0.00 1.23 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 0.00 190 A 8.56 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 V 8.63 4.51 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.83 0.00 0.00 192 E 8.89 4.98 0.00 1.75 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 2.08 2.02 0.00 193 L 8.67 5.02 0.00 1.14 1.26 -0.22 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.80 5.24 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.42 4.38 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.