NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 Q 4.2514 8.3293 119.6759 56.0865 29.1278 173.7627 40 S 4.3036 7.6986 117.1365 56.6012 65.1336 171.8984 41 S 4.6247 8.6031 113.1724 57.0174 66.1709 175.2530 42 V 4.5317 8.3192 125.6580 61.0318 33.9903 174.5467 43 S 4.8234 8.4340 119.0872 56.3988 65.4625 172.7865 44 W 5.1136 8.4080 134.3555 55.1510 33.5375 172.5946 45 P 2.9700 0.0000 0.0000 61.9460 31.3555 175.5877 46 Q 4.5230 7.8725 117.9491 55.3952 31.0726 175.8695 47 N 4.0049 9.6030 117.5051 54.3909 36.0733 174.5098 48 G 3.7943 8.4082 103.3482 46.3614 0.0000 174.0216 49 S 4.5701 7.4614 112.1587 56.2183 65.3085 173.6437 50 L 4.3411 8.4219 125.0562 54.5513 41.9504 176.7356 51 N 4.4441 7.6632 117.0584 53.5748 39.0480 175.1758 52 S 4.3229 8.6912 117.6554 58.9616 63.5567 174.3261 53 V 4.4782 7.9484 115.7725 59.4097 34.4112 175.9899 54 S 4.2347 8.7820 121.1674 58.6919 63.8386 174.4089 55 A 4.7951 8.1284 125.4175 50.2117 18.6677 174.1059 56 P 4.4672 0.0000 0.0000 61.9143 32.7191 177.1561 57 L 4.3410 8.1255 120.3673 54.1088 42.8664 176.1022 *59 S 4.7370 8.3558 113.5765 59.1684 64.0900 172.4434 60 Y 4.8033 7.1846 116.9954 56.7665 41.1136 172.8047 61 T 4.9513 8.5755 117.4437 61.8065 69.6523 173.5218 62 P 4.8600 0.0000 0.0000 61.7368 33.0988 176.2147 63 I 4.1010 8.4082 120.1398 64.2439 37.2043 176.9764 64 S 4.9890 7.9403 114.5199 56.8544 66.6026 172.3755 65 F 5.3810 9.2209 123.8019 56.5703 42.4489 173.5057 66 D 5.1422 8.3855 123.8722 51.9615 43.2073 173.9461 67 A 4.9471 8.8819 121.1333 50.4294 23.4895 174.9387 68 K 5.0266 9.0360 120.3055 54.6962 34.9448 175.4903 69 I 4.8143 8.8133 125.9508 58.5906 40.5441 173.6002 70 P 4.6776 0.0000 0.0000 62.7809 31.9507 178.2955 71 V 3.7321 8.5237 115.6627 64.0187 31.1929 178.6428 72 A 4.0635 8.1012 120.1518 54.8226 18.0881 179.1885 73 S 4.2071 8.0371 113.4224 60.9691 62.5832 176.7475 74 V 3.8446 7.9141 115.0853 63.1204 31.3045 176.9546 75 D 4.8739 7.4948 117.0020 53.2029 39.8263 177.3737 76 K 4.4540 7.4754 117.9170 55.6797 32.7016 175.8988 77 L 4.4607 7.1990 119.4510 54.4810 42.4128 177.2271 78 R 4.1999 8.7948 121.1644 55.9779 31.5702 176.2787 79 K 3.9282 8.4285 120.5779 57.5355 32.4850 176.8727 80 D 4.5201 8.9712 122.3198 54.7109 39.6622 173.0175 81 Q 4.7986 7.6235 115.6606 54.1547 31.3585 174.9714 82 D 4.9721 8.2760 116.8679 52.8730 42.0028 174.9241 83 L 4.1143 7.9385 122.0393 55.5364 42.0492 177.3373 84 I 3.8622 8.5435 127.7969 63.7131 37.7919 176.8083 85 L 4.7697 7.9298 124.3867 53.7727 45.1847 174.3009 86 G 4.5857 9.9233 114.4111 45.0018 0.0000 173.2070 87 T 4.6608 7.3447 116.4313 62.3938 70.4905 174.9204 88 L 4.8325 7.6849 119.8207 51.5100 45.4928 174.4539 89 P 3.3772 0.0000 0.0000 63.0677 31.8588 178.2151 90 A 3.6626 7.2751 124.7925 54.7539 19.7236 177.5067 91 N 4.8630 7.6583 111.8397 51.6767 38.6258 172.4902 92 S 4.5526 7.8007 115.7611 55.4823 65.9366 173.8758 93 E 3.5968 8.8602 120.6733 58.0646 29.2149 177.1128 94 D 4.2178 8.6700 128.2073 54.8572 38.5078 174.8717 95 A 4.1730 7.7685 126.3733 55.4200 18.7159 179.4140 96 G 3.5274 7.9668 102.1513 47.7694 0.0000 174.6982 97 A 4.3498 7.4955 119.0742 52.5202 19.1653 177.4250 98 R 4.1573 7.6693 114.4681 57.4341 32.8208 176.2258 99 G 4.0472 8.3567 106.6474 44.3009 0.0000 171.0911 100 L 4.9922 7.3477 119.9233 53.1154 45.0754 176.3375 101 F 5.0822 9.1185 123.7851 55.7625 43.7884 173.5899 102 V 4.8396 8.8014 123.2134 61.3625 33.4722 174.5604 103 R 5.3127 9.0884 126.2553 54.3652 34.3224 174.4043 104 A 5.2808 8.7126 123.4806 50.5333 22.0615 175.2874 105 N 4.8594 9.1431 119.7012 51.7601 40.2700 174.1837 106 D 4.5273 8.6856 116.0123 56.0294 41.4204 176.2408 107 D 4.7360 7.8825 115.9985 54.6161 42.0051 177.1370 108 G 3.9584 8.1434 103.8059 44.4320 0.0000 172.3328 109 L 5.2751 8.4344 123.4393 53.3610 45.1030 176.2021 110 Q 4.9968 9.2982 124.3773 54.2561 32.8949 173.9912 111 I 5.1581 9.1251 125.4843 59.6818 39.9537 174.7136 112 T 5.0666 9.0028 117.2403 59.8785 71.8841 172.8034 113 S 4.8206 9.3620 120.5066 57.3026 65.6821 173.1776 114 H 4.1418 10.0967 126.1571 57.0843 28.6873 175.4411 115 G 3.9000 8.4690 103.3654 44.8785 0.0000 173.4806 116 E 4.2951 8.3228 122.4002 54.2315 30.3301 174.9616 117 L 4.3727 8.5293 128.7758 55.4831 42.5295 175.8951 118 V 4.1475 8.9558 126.8852 64.1493 32.9264 175.9456 119 L 4.8592 7.7222 121.0184 53.2090 45.7243 174.6947 120 D 5.1977 8.7415 124.3263 52.7389 44.1022 174.0407 121 L 4.8972 8.7290 126.7382 52.4717 44.3286 177.0357 122 S 4.4707 8.7212 118.2132 57.9396 64.0977 175.1206 123 K 3.8606 8.7895 121.7836 59.8915 31.6075 179.0121 124 R 4.0302 7.8604 114.3068 58.9669 29.8618 177.8200 125 E 4.0544 8.2888 120.2889 58.8138 29.6038 178.5928 126 L 4.0208 8.2495 120.4799 58.1046 42.1332 178.4307 127 A 4.2186 7.6766 117.0151 53.5397 18.3588 177.5349 128 Q 4.2432 7.4765 116.3301 56.5801 29.9022 176.1159 129 L 4.0947 7.5842 118.2181 53.9272 42.3190 175.0896 130 P 4.1594 0.0000 0.0000 62.9239 31.7771 177.1971 131 A 4.1540 8.7688 125.1792 54.6882 18.3899 177.8865 132 D 4.7568 7.8928 112.4333 52.8938 40.0255 176.1923 133 A 4.2556 8.1136 122.8597 53.2177 19.9720 177.0753 134 T 5.0215 8.2659 114.6216 61.7799 72.4108 173.3703 135 I 4.6753 9.2131 127.4115 60.6921 38.8777 174.5922 136 A 5.2621 9.2850 128.8974 50.2034 21.8077 175.2458 137 I 5.1571 8.6737 122.0403 59.5255 41.5378 174.5871 138 S 5.0160 9.4603 120.5851 56.5699 65.6197 172.1483 139 A 5.1260 9.6484 130.1172 49.7890 20.6078 175.3069 140 T 4.9023 8.6017 118.4070 61.4166 72.7425 175.0435 141 E 4.0209 8.9910 123.8420 59.6011 29.9419 178.1018 142 D 4.5095 8.1555 117.6305 57.0946 41.3908 175.6163 143 E 5.1364 7.3464 110.9647 56.9011 32.9763 174.6852 144 T 5.2140 8.1912 116.6537 62.2946 71.4410 173.7111 145 T 5.0304 9.0019 118.9026 60.7441 71.4471 172.3093 146 A 5.6677 8.2203 128.0991 50.5012 23.5038 175.5310 147 G 4.0158 8.0122 105.6086 46.0738 0.0000 171.7744 148 I 4.6408 8.0417 121.4139 60.4339 37.9577 176.2542 149 E 4.0044 8.5608 126.9283 58.4110 29.8376 177.2916 150 G 3.9891 9.1547 111.3900 44.8988 0.0000 172.5089 151 D 4.7474 7.8332 119.2816 52.3331 40.8436 175.7787 152 D 4.5969 8.3810 126.1366 54.5589 40.1595 178.5362 153 S 4.3648 7.8259 113.2837 60.0691 62.9803 174.6774 154 T 4.4056 7.3891 109.8173 62.0018 69.8828 174.8672 155 T 4.1770 7.4713 119.1058 63.7828 69.0467 173.2504 156 E 4.6191 9.4470 128.2193 54.5683 32.2866 174.4599 157 T 4.8876 8.4738 120.8314 60.4189 69.9323 173.4355 158 V 4.0383 8.6642 124.2985 59.5495 32.6515 178.6445 159 E 4.6411 8.6468 129.1382 55.3730 28.3401 176.9663 160 R 4.5464 7.5349 113.0699 54.4775 32.5094 173.4267 161 D 4.6914 8.5141 118.3428 54.5585 40.6643 175.6318 162 V 4.4677 7.9998 127.1178 62.4537 32.5099 175.6182 163 R 4.1250 7.8578 116.7579 54.8897 30.4383 174.9568 164 P 4.7810 0.0000 0.0000 62.3735 32.7744 175.5770 165 I 4.1178 8.0726 121.9321 61.3000 37.9886 175.9408 166 I 4.0504 8.5705 127.3182 59.5158 40.3275 174.8460 *168 G 3.9048 8.0968 110.5792 45.5217 0.0000 170.7961 169 I 4.8945 7.4834 118.7476 59.6400 39.7096 175.0852 170 Y 4.9198 9.2516 124.6742 56.7857 41.6900 174.5586 171 T 4.8037 8.3286 114.6224 61.4091 70.5673 172.6022 172 E 4.8058 9.0781 122.8708 55.6407 32.1509 175.8869 173 L 4.3439 7.6961 119.7020 54.9350 42.3073 177.2457 174 E 4.1597 9.4392 123.4847 56.4643 30.2178 178.6379 175 S 4.1433 8.7309 118.9701 61.7218 63.1226 175.7855 176 N 4.6598 8.1858 113.5993 53.6022 36.9981 175.5450 177 A 4.6953 7.9996 121.6163 51.4363 19.3143 178.9218 178 A 3.9150 7.7144 120.6890 55.2978 18.4493 179.9785 179 A 3.8943 7.8971 118.3190 55.4285 18.1144 179.2349 180 D 4.3142 8.0887 116.8806 57.7468 40.9191 179.0392 181 L 3.9019 8.2305 119.4240 57.4635 41.8703 179.4362 182 L 4.0225 8.4853 119.4433 57.8303 41.3615 179.2103 183 N 4.4237 8.3143 115.0682 55.2876 38.5092 176.1197 184 A 4.5926 7.2002 119.8061 51.4808 19.6305 177.3462 185 G 3.9284 7.7571 105.6796 44.5433 0.0000 173.5604 186 L 4.1977 7.2729 121.4380 55.8187 42.3981 176.0847 187 N 4.9480 8.9763 122.8153 52.5588 42.9485 172.8227 188 A 4.9580 8.4894 125.9775 50.3780 22.5177 174.8058 189 H 4.8943 8.9867 121.6133 54.3097 33.2605 172.3220 190 V 4.9067 8.4629 124.7867 59.9068 34.1022 174.5283 191 E 4.6918 9.0674 123.4389 54.7017 31.7434 175.0282 192 I 4.8015 8.3218 124.1595 59.4264 40.5910 174.4772 193 N 4.6473 8.6865 123.8515 52.2526 39.5786 174.5980 194 S 4.0799 8.3747 119.4567 57.8271 63.5330 173.7467 195 R 4.0038 6.9273 120.8750 54.5581 30.9567 174.8488 196 F 4.9436 7.9128 123.9091 57.1996 40.2088 175.4777 197 T 4.7675 8.0913 118.0587 61.8328 72.4963 174.1989 198 S 4.3047 8.6239 116.6135 58.7209 62.4575 173.9413 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 39 Q 8.33 4.25 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.61 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 40 S 7.70 4.30 0.00 4.00 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 41 S 8.60 4.62 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.32 4.53 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 0.94 0.00 0.00 0.97 0.00 0.00 43 S 8.43 4.82 0.00 3.84 3.69 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 44 W 8.41 5.11 0.00 3.23 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 2.97 0.00 1.54 1.24 0.00 3.29 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 46 Q 7.87 4.52 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.39 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 47 N 9.60 4.00 0.00 2.84 2.87 0.00 0.00 7.05 7.65 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 48 G 8.41 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 0.00 0.00 0.00 49 S 7.46 4.57 0.00 3.73 3.80 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 50 L 8.42 4.34 0.00 1.67 1.79 0.71 1.08 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 51 N 7.66 4.44 0.00 2.73 2.87 0.00 0.00 6.93 7.53 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 52 S 8.69 4.32 0.00 3.88 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 53 V 7.95 4.48 2.18 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 0.94 0.00 0.00 1.09 0.00 0.00 54 S 8.78 4.23 0.00 3.88 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 55 A 8.13 4.80 1.24 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 56 P 0.00 4.47 0.00 2.24 2.10 0.00 3.80 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 2.03 2.02 0.00 57 L 8.13 4.34 0.00 1.77 1.87 1.10 0.98 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 *59 S 8.36 4.74 0.00 3.80 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 60 Y 7.18 4.80 0.00 3.12 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 61 T 8.58 4.95 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 62 P 0.00 4.86 0.00 2.58 2.32 0.00 3.87 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 2.08 2.11 0.00 63 I 8.41 4.10 1.99 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 1.31 0.57 0.93 0.00 0.00 64 S 7.94 4.99 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 65 F 9.22 5.38 0.00 3.16 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.39 5.14 0.00 2.69 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 67 A 8.88 4.95 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 68 K 9.04 5.03 0.00 1.76 1.70 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.50 7.81 69 I 8.81 4.81 1.90 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 1.27 0.99 0.94 0.00 0.00 70 P 0.00 4.68 0.00 2.18 1.98 0.00 3.61 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 2.12 2.30 0.00 71 V 8.52 3.73 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.07 0.00 0.00 72 A 8.10 4.06 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 73 S 8.04 4.21 0.00 3.97 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 74 V 7.91 3.84 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 0.82 0.00 0.00 0.98 0.00 0.00 75 D 7.49 4.87 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.48 4.45 0.00 1.76 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.60 7.81 77 L 7.20 4.46 0.00 1.54 1.62 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.79 4.20 0.00 1.77 1.87 0.00 3.14 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 79 K 8.43 3.93 0.00 1.62 1.76 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 80 D 8.97 4.52 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.62 4.80 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 82 D 8.28 4.97 0.00 2.89 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 83 L 7.94 4.11 0.00 1.85 1.69 1.18 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.54 3.86 2.06 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 1.15 0.85 0.95 0.00 0.00 85 L 7.93 4.77 0.00 1.74 1.53 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 86 G 9.92 4.59 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 0.00 0.00 0.00 87 T 7.34 4.66 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 0.94 0.00 0.00 88 L 7.68 4.83 0.00 1.76 1.52 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 3.38 0.00 1.97 1.68 0.00 3.56 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 90 A 7.28 3.66 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 91 N 7.66 4.86 0.00 2.59 2.65 0.00 0.00 6.85 7.63 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 92 S 7.80 4.55 0.00 3.91 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 93 E 8.86 3.60 0.00 1.93 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 0.00 2.28 2.34 0.00 94 D 8.67 4.22 0.00 2.79 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 95 A 7.77 4.17 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 96 G 7.97 3.53 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 97 A 7.50 4.35 1.27 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 0.00 0.00 98 R 7.67 4.16 0.00 1.84 1.88 0.00 3.09 0.00 0.00 3.63 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 99 G 8.36 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 0.00 100 L 7.35 4.99 0.00 1.29 0.83 0.61 0.41 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 0.00 101 F 9.12 5.08 0.00 2.95 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 0.00 102 V 8.80 4.84 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 103 R 9.09 5.31 0.00 1.79 1.77 0.00 3.10 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 104 A 8.71 5.28 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 0.00 105 N 9.14 4.86 0.00 2.86 2.91 0.00 0.00 6.22 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.69 4.53 0.00 2.64 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 0.00 107 D 7.88 4.74 0.00 2.70 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 0.00 108 G 8.14 3.96 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 0.00 0.00 0.00 109 L 8.43 5.28 0.00 1.79 1.51 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.30 5.00 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 111 I 9.13 5.16 1.90 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 1.33 0.92 0.97 0.00 0.00 112 T 9.00 5.07 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 1.25 0.00 0.00 113 S 9.36 4.82 0.00 3.79 3.69 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 0.00 114 H 10.10 4.14 0.00 3.49 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.47 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 0.00 116 E 8.32 4.30 0.00 2.04 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 2.27 2.29 0.00 117 L 8.53 4.37 0.00 1.64 1.59 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.96 4.15 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 0.80 0.00 0.00 0.97 0.00 0.00 119 L 7.72 4.86 0.00 1.77 1.45 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.74 5.20 0.00 2.65 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 0.00 121 L 8.73 4.90 0.00 1.62 1.54 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.72 4.47 0.00 4.00 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 0.00 123 K 8.79 3.86 0.00 1.84 1.86 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.51 7.81 124 R 7.86 4.03 0.00 1.99 2.05 0.00 3.14 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 125 E 8.29 4.05 0.00 2.08 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 2.32 0.00 126 L 8.25 4.02 0.00 1.99 1.65 0.93 1.38 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 0.00 127 A 7.68 4.22 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 0.00 128 Q 7.48 4.24 0.00 2.07 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 129 L 7.58 4.09 0.00 1.88 1.60 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.16 0.00 2.17 2.01 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 131 A 8.77 4.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 7.89 4.76 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.11 4.26 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 0.00 134 T 8.27 5.02 4.34 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 1.27 0.00 0.00 135 I 9.21 4.68 1.98 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 1.18 0.69 0.99 0.00 0.00 136 A 9.29 5.26 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 0.00 137 I 8.67 5.16 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 1.08 0.00 0.00 138 S 9.46 5.02 0.00 3.83 3.69 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 0.00 139 A 9.65 5.13 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 0.00 140 T 8.60 4.90 4.47 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 0.00 0.00 0.00 1.29 0.00 0.00 141 E 8.99 4.02 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 142 D 8.16 4.51 0.00 2.72 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 0.00 143 E 7.35 5.14 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 144 T 8.19 5.21 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 1.25 0.00 0.00 145 T 9.00 5.03 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 1.23 0.00 0.00 146 A 8.22 5.67 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 0.00 147 G 8.01 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 0.00 148 I 8.04 4.64 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.96 0.00 0.00 149 E 8.56 4.00 0.00 2.12 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 0.00 2.36 2.30 0.00 150 G 9.15 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 0.00 151 D 7.83 4.75 0.00 2.71 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 0.00 152 D 8.38 4.60 0.00 2.95 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 0.00 153 S 7.83 4.36 0.00 4.05 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.39 4.41 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 155 T 7.47 4.18 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 156 E 9.45 4.62 0.00 2.03 1.92 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 2.32 2.27 0.00 157 T 8.47 4.89 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 158 V 8.66 4.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.94 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.48 4.89 1.77 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.01 0.92 0.00 0.00 170 Y 9.25 4.92 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 0.00 171 T 8.33 4.80 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 172 E 9.08 4.81 0.00 2.13 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 2.26 2.43 0.00 173 L 7.70 4.34 0.00 1.65 1.64 0.95 0.94 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 0.00 174 E 9.44 4.16 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 175 S 8.73 4.14 0.00 3.89 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 0.00 176 N 8.19 4.66 0.00 2.81 2.93 0.00 0.00 5.90 7.26 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 0.00 177 A 8.00 4.70 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 0.00 178 A 7.71 3.92 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 0.00 179 A 7.90 3.89 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 0.00 180 D 8.09 4.31 0.00 2.87 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 0.00 181 L 8.23 3.90 0.00 1.93 1.71 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 182 L 8.49 4.02 0.00 1.71 1.71 0.92 0.67 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 0.00 183 N 8.31 4.42 0.00 2.91 2.89 0.00 0.00 6.93 6.86 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 0.00 184 A 7.20 4.59 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 0.00 185 G 7.76 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 0.00 186 L 7.27 4.20 0.00 1.72 1.70 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 187 N 8.98 4.95 0.00 2.75 2.53 0.00 0.00 6.39 7.81 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 0.00 188 A 8.49 4.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 H 8.99 4.89 0.00 3.14 3.12 0.00 5.54 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 V 8.46 4.91 2.23 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 0.94 0.00 0.00 1.12 0.00 0.00 191 E 9.07 4.69 0.00 1.85 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 2.02 2.36 0.00 192 I 8.32 4.80 1.69 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.55 0.00 0.00 193 N 8.69 4.65 0.00 2.66 2.74 0.00 0.00 7.01 7.63 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 0.00 194 S 8.37 4.08 0.00 3.81 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 0.00 195 R 6.93 4.00 0.00 1.60 1.68 0.00 3.17 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 196 F 7.91 4.94 0.00 3.14 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 0.00 197 T 8.09 4.77 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 198 S 8.62 4.30 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.