NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.4852 8.2649 122.4466 51.6716 20.1167 176.5385 18 Y 3.8423 8.9179 118.7067 57.6725 39.3119 173.6876 19 S 4.8620 8.6207 118.5783 56.9010 66.5768 173.1760 20 F 5.1809 9.0903 123.1290 55.5303 43.3313 173.7405 21 K 5.0503 8.8238 123.1791 54.9587 34.3360 174.9458 22 V 5.0674 9.2120 127.3488 61.0279 34.9354 174.2606 23 V 4.9886 8.5546 126.9717 59.9580 34.0951 174.3250 24 L 5.0554 8.7802 124.4359 53.4862 43.0428 176.0480 25 L 4.4492 9.6773 122.6964 52.2862 45.9631 176.2162 26 G 4.6460 8.4023 109.3660 43.7774 0.0000 171.9321 27 E 4.2861 8.3057 120.0239 55.7811 30.0241 178.7865 28 G 3.7219 8.6627 109.0134 48.1726 0.0000 174.2931 29 C 4.4077 7.9055 112.5224 58.6169 30.5454 175.0688 30 V 3.7763 7.4745 114.4250 63.0468 31.5767 176.9241 31 G 4.2450 8.4084 108.3591 45.6253 0.0000 175.9372 32 K 3.9279 8.5787 119.7123 59.7229 32.1434 178.7180 33 T 4.1128 7.8317 116.4652 66.3176 68.4316 176.6808 34 S 4.2963 8.1445 116.4903 61.5265 62.8960 176.6133 35 L 4.0913 8.1627 121.6701 57.8573 41.3380 179.8057 36 V 3.6758 7.7279 117.8480 65.9652 31.4783 177.7889 37 L 3.9347 8.4671 120.5563 58.0926 41.9218 178.9517 38 R 4.0293 8.1790 118.7121 59.6250 29.8659 177.8988 39 Y 4.1800 7.9218 118.1111 60.8500 38.8460 177.1807 40 C 4.1086 8.1759 116.3930 61.0797 28.7396 174.2593 41 E 4.4535 8.0437 116.1706 54.8348 30.8854 174.9893 42 N 4.3105 7.9948 116.4519 54.7652 37.9511 173.5436 43 K 4.8278 7.8653 113.2471 54.5456 36.1476 175.8467 44 F 4.9022 8.4666 121.5875 56.7191 42.4882 173.3981 45 N 4.8209 7.1864 123.1924 51.2068 41.2852 174.7060 46 D 4.4001 8.5689 122.6281 56.6587 41.3583 177.0845 47 K 3.9085 7.6700 120.1293 56.3569 32.6257 175.9628 48 H 4.4814 8.6520 126.0370 55.6442 28.7130 174.6585 49 I 4.1181 7.7477 128.6824 59.1795 36.0164 175.1705 50 T 3.7699 7.8976 120.6128 63.9887 68.9055 174.1720 51 T 4.2486 8.4474 122.9791 63.1984 69.1423 174.6637 52 L 4.4632 8.2773 125.3531 54.7380 42.6779 175.9194 53 G 4.1757 7.2721 103.4740 45.2833 0.0000 173.1194 54 A 5.3629 9.1142 122.4774 51.6892 19.2804 177.0224 55 S 4.5614 8.5309 114.2154 57.3324 66.3638 173.0862 56 F 5.1242 7.7460 114.6990 54.8864 40.6902 173.8819 57 L 4.5790 8.5296 118.8416 53.2395 45.7811 175.4074 58 T 5.0823 8.2192 117.4241 62.1809 70.3787 174.2571 59 K 4.5058 9.0155 126.6325 54.5779 35.5700 174.6958 60 K 5.1770 8.7583 126.3866 54.6931 34.3616 175.4670 61 L 4.8759 9.0718 124.2570 52.8569 45.8047 175.0548 62 N 5.2343 8.6518 118.1969 52.2696 41.4339 174.0672 63 I 4.2416 9.2674 129.5875 60.1472 38.6500 178.4046 64 G 3.9671 9.4512 119.6062 46.0904 0.0000 172.9056 65 G 3.9838 9.3648 113.4751 45.3975 0.0000 174.1087 66 K 4.3611 8.2851 123.4223 53.9691 32.3930 181.8090 67 R 4.9064 8.5040 123.7627 54.7836 31.9715 175.7374 68 V 4.9481 8.9706 122.4678 61.3153 35.1170 173.7333 69 N 5.1939 9.6799 126.3386 51.8567 40.4849 173.6929 70 L 5.2482 9.2124 124.8614 53.0950 44.4229 175.7179 71 A 5.1874 9.1445 126.0924 50.7684 20.7981 175.8995 72 I 4.8407 8.9621 124.6117 60.6513 38.9184 175.2973 73 W 5.1424 9.7833 128.9512 55.5673 30.7721 175.3419 74 D 5.3437 9.2993 125.5039 53.0592 42.9610 175.0645 75 T 5.0219 8.3255 112.7212 59.5697 72.5198 172.9746 76 A 4.4176 8.6629 125.5764 51.5524 18.9705 178.3581 77 G 3.8798 8.7664 112.6957 48.0507 0.0000 174.8485 78 Q 4.0052 8.2017 120.5499 59.4656 28.9937 177.4553 *88 Y 4.1028 7.9101 117.2589 56.5912 39.2693 180.3062 *89 Y 4.7433 7.3720 116.0111 55.6881 39.1711 180.9176 90 R 3.9555 8.1934 119.6502 60.3095 29.5575 183.1208 91 D 4.9263 7.6693 113.3641 52.7094 40.6076 178.9066 92 S 4.3610 7.6454 116.7735 59.8578 63.4561 174.7332 93 N 4.7192 9.2003 121.7709 54.4319 40.0177 175.1345 94 G 4.5433 7.9029 104.5252 44.4684 0.0000 171.4871 95 A 5.1723 9.0742 123.4087 49.9014 22.7673 175.1631 96 I 4.5194 8.9090 123.7542 59.7299 39.2548 175.1652 97 L 4.7941 9.1800 129.5680 53.3648 42.7734 175.8770 98 V 4.8701 8.6722 125.5144 61.3892 32.9876 174.5240 99 Y 5.0868 8.8784 125.0760 55.2832 42.2275 173.4507 100 D 5.0954 9.1635 120.5628 52.5668 42.3539 177.4305 101 I 3.9393 8.6254 120.6962 63.5539 37.7247 177.5270 102 T 4.5120 8.4883 109.6300 61.2259 69.4927 173.9909 103 D 4.7789 8.4283 125.3472 52.6169 42.7505 176.3731 104 E 4.2013 8.8833 127.4256 61.3019 29.7605 175.3574 105 D 4.5953 8.2208 118.7715 57.1777 41.0911 178.3502 106 S 4.2649 8.5712 114.4902 61.3399 63.0712 176.0513 107 F 4.1133 7.9923 122.9473 61.1437 38.9667 177.2524 108 Q 3.6414 8.1143 119.8068 59.2942 28.2109 179.5212 109 K 3.9420 8.0975 124.7633 59.4393 31.6709 181.8390 110 V 4.0198 7.4466 118.0753 66.3845 31.3529 178.2623 111 K 4.4299 7.5182 122.0596 59.5339 31.8352 179.6877 112 N 4.2829 7.9360 119.2001 57.2008 37.5654 179.6180 113 W 4.5310 7.8270 121.2176 59.5466 29.0513 178.7645 114 V 3.7573 8.2268 120.7171 66.6006 31.0716 178.6818 115 K 4.0221 8.2213 125.8317 60.6131 31.2741 181.2353 116 E 4.2241 8.1133 119.6145 60.9621 29.5969 181.0849 117 L 4.2916 8.1840 120.3263 57.6941 41.8076 179.8718 118 R 4.0357 8.5684 120.9067 59.6407 29.7264 179.9283 119 K 4.0230 7.7563 122.4861 59.7951 31.7836 181.0742 120 M 4.4016 7.6644 118.1772 57.5451 32.1969 177.3677 121 L 4.5804 8.4307 117.8842 54.9007 43.7286 177.6986 122 G 3.9522 8.3029 108.8060 46.8993 0.0000 174.7519 123 N 4.6682 8.8229 122.8425 53.2627 38.1856 173.8414 124 E 4.1570 7.6871 114.8926 59.9271 29.9513 182.4787 125 I 4.1223 7.4823 119.5460 60.7011 38.9786 175.0458 126 C 4.3781 8.7974 127.6829 59.4932 29.2490 172.4585 127 L 5.0145 8.4858 124.3537 53.4479 43.7964 175.3277 128 C 5.4558 9.1458 121.0568 58.0755 31.5079 172.8503 129 I 4.9259 8.9757 125.0498 59.7404 39.1091 174.7766 130 V 4.5586 9.1202 128.2133 60.9898 34.1876 174.9476 131 G 3.1405 8.6095 117.0913 45.0503 0.0000 172.1029 132 N 5.1587 8.4544 126.3050 51.7049 41.4898 174.4035 133 K 3.9808 8.7968 117.4707 58.0957 28.6544 178.6103 134 I 3.7848 7.5888 113.7139 63.0823 37.4528 176.8584 135 D 4.4495 8.0886 120.8366 55.5921 39.5519 176.7352 136 L 4.3905 7.7981 120.6824 54.1870 42.5105 178.2944 137 E 3.9082 8.4034 121.9469 59.4176 29.6385 178.9015 138 K 4.0384 8.0196 116.3626 58.7063 32.0863 177.2284 139 E 4.4224 8.3215 117.9265 55.6339 29.6671 175.6456 140 R 4.1875 7.6785 120.3798 57.2184 30.3201 175.9272 141 H 4.8451 9.2489 120.2765 55.0185 30.8623 173.5580 142 V 4.1028 7.5745 119.3749 60.7809 32.9171 175.5218 143 S 4.1739 8.2587 121.5268 58.0027 63.2647 174.6255 144 I 3.6593 8.3724 130.3302 64.7044 36.9555 178.3130 145 Q 3.9513 7.9665 118.2456 58.8278 28.5657 178.3821 146 E 3.8910 8.2834 120.0509 59.2332 29.7276 178.6806 147 A 4.1217 7.8535 120.8311 55.3519 18.4413 179.5254 148 E 3.8891 8.4050 117.4373 59.3609 29.4918 179.4991 149 S 4.0736 8.2828 113.3448 61.5241 62.2256 175.5185 150 Y 4.1129 8.5894 122.3756 60.6649 38.4783 177.7781 151 A 3.8752 8.2475 121.6303 55.3051 18.6384 179.1765 152 E 3.8093 8.1772 117.8911 59.4301 29.4841 179.1615 153 S 4.2171 7.9202 112.9655 60.3475 63.0401 175.2658 154 V 4.0152 6.8333 113.6510 60.5688 31.7278 176.2175 155 G 3.7390 7.8055 106.7346 45.9864 0.0000 173.7317 156 A 4.7198 7.9926 123.6189 51.0812 20.9516 177.9699 157 K 4.5167 8.4185 121.6793 53.8023 34.6106 175.2650 158 H 5.3504 8.3894 122.7826 54.7541 31.7432 173.6945 159 Y 4.7582 8.4377 120.8272 56.6411 42.2121 173.6360 160 H 5.4711 8.7780 119.6707 54.5980 31.0494 174.0555 161 T 4.9027 8.7505 112.2959 60.0322 72.9539 173.0269 162 S 4.6840 9.0887 117.0308 56.5212 64.3723 174.4922 163 A 3.9992 8.7228 131.6973 55.0672 18.6337 179.4859 164 K 2.4800 7.6398 115.8803 58.8372 32.1683 177.4807 165 Q 4.1415 7.7888 114.2105 54.8258 29.4822 174.8498 166 N 4.1401 7.2131 114.8297 54.8391 37.7454 173.9704 167 K 4.4951 8.3037 118.0859 55.8264 35.1341 178.4550 168 G 4.1019 8.8035 110.4338 47.1403 0.0000 175.5316 169 I 3.7264 7.6720 120.6810 64.3872 37.3538 177.5302 170 E 4.1832 8.3551 118.9388 59.8519 29.3280 179.3088 171 E 4.0177 8.1721 117.7808 59.1397 29.5890 178.9370 172 L 3.2628 7.8552 120.2876 58.1681 42.1383 179.2142 173 F 3.8346 7.7713 117.5801 59.9816 38.6864 177.5819 174 L 4.0062 8.0324 120.1477 58.3111 41.8821 178.6363 175 D 4.3126 8.2066 118.0173 57.1314 41.1623 177.8174 176 L 3.8122 7.8387 120.9252 58.2055 41.9439 178.7703 177 C 3.9213 8.0868 116.5284 62.7392 28.1403 176.0378 178 K 3.8039 8.0628 120.0011 59.8147 31.5854 179.6227 179 R 3.8992 8.1280 118.2029 59.4372 29.7136 179.0662 180 M 3.7885 7.6549 117.7551 57.9520 31.8079 178.6003 181 I 3.8365 7.5403 122.1669 64.8400 37.2869 178.6566 182 E 4.2326 8.1348 120.6138 61.7666 29.7262 179.4408 183 T 4.3187 8.0083 115.9463 61.1892 69.9577 174.7892 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 17 A 8.26 4.49 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 18 Y 8.92 3.84 0.00 2.97 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 0.00 0.00 0.00 0.00 19 S 8.62 4.86 0.00 3.54 3.65 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 20 F 9.09 5.18 0.00 3.10 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 21 K 8.82 5.05 0.00 1.89 1.70 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.59 7.81 22 V 9.21 5.07 2.27 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 1.01 0.00 0.00 1.03 0.00 0.00 23 V 8.55 4.99 2.03 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 0.74 0.00 0.00 0.86 0.00 0.00 24 L 8.78 5.06 0.00 1.68 1.63 1.06 1.20 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 25 L 9.68 4.45 0.00 0.80 0.13 0.29 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.40 4.65 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 0.00 0.00 0.00 27 E 8.31 4.29 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 28 G 8.66 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 0.00 0.00 0.00 29 C 7.91 4.41 0.00 3.09 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 30 V 7.47 3.78 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.02 0.00 0.00 31 G 8.41 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 32 K 8.58 3.93 0.00 1.85 1.91 0.00 1.66 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.57 7.81 33 T 7.83 4.11 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 1.24 0.00 0.00 34 S 8.14 4.30 0.00 4.16 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 35 L 8.16 4.09 0.00 1.99 1.87 0.89 0.66 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 36 V 7.73 3.68 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 1.11 0.00 0.00 1.13 0.00 0.00 37 L 8.47 3.93 0.00 1.83 1.75 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.18 4.03 0.00 2.18 2.24 0.00 3.33 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 39 Y 7.92 4.18 0.00 2.92 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 40 C 8.18 4.11 0.00 2.95 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 41 E 8.04 4.45 0.00 2.02 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 2.16 2.30 0.00 42 N 7.99 4.31 0.00 2.79 2.82 0.00 0.00 6.91 6.70 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 43 K 7.87 4.83 0.00 1.75 1.67 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.61 7.81 44 F 8.47 4.90 0.00 2.93 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 45 N 7.19 4.82 0.00 2.41 2.48 0.00 0.00 7.02 8.06 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 46 D 8.57 4.40 0.00 2.69 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 47 K 7.67 3.91 0.00 1.67 1.64 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 48 H 8.65 4.48 0.00 3.09 3.25 0.00 5.96 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.75 4.12 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.87 0.00 0.00 50 T 7.90 3.77 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 1.23 0.00 0.00 51 T 8.45 4.25 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 1.28 0.00 0.00 52 L 8.28 4.46 0.00 1.64 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.27 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 0.00 0.00 0.00 0.00 54 A 9.11 5.36 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 55 S 8.53 4.56 0.00 3.69 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 7.75 5.12 0.00 2.17 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 57 L 8.53 4.58 0.00 1.51 1.44 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.22 5.08 4.20 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 1.24 0.00 0.00 59 K 9.02 4.51 0.00 1.74 1.61 0.00 1.21 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.13 1.33 7.81 60 K 8.76 5.18 0.00 1.64 1.70 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.43 7.81 61 L 9.07 4.88 0.00 1.68 1.61 1.08 0.41 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 62 N 8.65 5.23 0.00 2.70 2.71 0.00 0.00 6.92 7.94 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 63 I 9.27 4.24 1.94 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 1.29 0.64 0.95 0.00 0.00 64 G 9.45 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 65 G 9.36 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 66 K 8.29 4.36 0.00 1.70 1.72 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.28 7.81 67 R 8.50 4.91 0.00 1.79 1.90 0.00 3.04 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 68 V 8.97 4.95 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.13 0.00 0.00 69 N 9.68 5.19 0.00 2.63 2.76 0.00 0.00 6.52 5.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 *88 Y 7.91 4.10 0.00 2.36 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 *89 Y 7.37 4.74 0.00 2.18 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 0.00 0.00 0.00 0.00 90 R 8.19 3.96 0.00 1.82 1.88 0.00 3.20 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 91 D 7.67 4.93 0.00 2.67 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 92 S 7.65 4.36 0.00 3.99 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 93 N 9.20 4.72 0.00 2.76 2.93 0.00 0.00 6.41 8.33 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 94 G 7.90 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 9.07 5.17 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 96 I 8.91 4.52 1.75 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.58 0.70 0.00 0.00 97 L 9.18 4.79 0.00 1.72 1.71 1.04 0.55 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 98 V 8.67 4.87 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 0.75 0.00 0.00 0.94 0.00 0.00 99 Y 8.88 5.09 0.00 3.26 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 0.00 100 D 9.16 5.10 0.00 2.84 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 0.00 101 I 8.63 3.94 1.92 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 1.60 0.89 0.88 0.00 0.00 102 T 8.49 4.51 4.38 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 1.30 0.00 0.00 103 D 8.43 4.78 0.00 2.71 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 0.00 104 E 8.88 4.20 0.00 2.01 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 2.31 1.94 0.00 105 D 8.22 4.60 0.00 2.75 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 0.00 106 S 8.57 4.26 0.00 4.21 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 0.00 107 F 7.99 4.11 0.00 2.75 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 0.00 108 Q 8.11 3.64 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.57 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 109 K 8.10 3.94 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 110 V 7.45 4.02 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 1.08 0.00 0.00 1.22 0.00 0.00 111 K 7.52 4.43 0.00 1.66 1.63 0.00 1.39 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.35 7.81 112 N 7.94 4.28 0.00 2.73 2.83 0.00 0.00 6.92 7.96 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 0.00 113 W 7.83 4.53 0.00 3.59 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 0.00 114 V 8.23 3.76 2.41 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 1.11 0.00 0.00 1.18 0.00 0.00 115 K 8.22 4.02 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.34 7.81 116 E 8.11 4.22 0.00 2.00 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 2.24 2.22 0.00 117 L 8.18 4.29 0.00 1.77 1.78 0.97 0.77 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 0.00 118 R 8.57 4.04 0.00 1.89 1.98 0.00 3.28 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 119 K 7.76 4.02 0.00 1.87 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 120 M 7.66 4.40 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 121 L 8.43 4.58 0.00 1.77 1.66 0.97 1.05 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 0.00 122 G 8.30 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 0.00 0.00 0.00 123 N 8.82 4.67 0.00 2.76 2.72 0.00 0.00 6.39 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 0.00 124 E 7.69 4.16 0.00 1.83 1.89 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 2.26 2.12 0.00 125 I 7.48 4.12 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.91 0.00 0.00 126 C 8.80 4.38 0.00 2.84 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 0.00 127 L 8.49 5.01 0.00 1.60 1.59 0.93 0.89 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 0.00 128 C 9.15 5.46 0.00 2.69 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 0.00 129 I 8.98 4.93 2.12 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 1.38 0.00 0.00 130 V 9.12 4.56 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 0.92 0.00 0.00 0.82 0.00 0.00 131 G 8.61 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 0.00 0.00 0.00 132 N 8.45 5.16 0.00 2.76 2.82 0.00 0.00 7.14 6.95 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 0.00 133 K 8.80 3.98 0.00 2.05 1.97 0.00 2.35 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.39 7.81 134 I 7.59 3.78 1.83 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 1.45 0.49 0.98 0.00 0.00 135 D 8.09 4.45 0.00 2.80 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 0.00 136 L 7.80 4.39 0.00 1.84 1.70 0.95 0.87 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 0.00 137 E 8.40 3.91 0.00 2.20 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 2.35 2.39 0.00 138 K 8.02 4.04 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 139 E 8.32 4.42 0.00 2.12 1.96 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 2.26 2.22 0.00 140 R 7.68 4.19 0.00 1.82 1.85 0.00 3.27 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 141 H 9.25 4.85 0.00 3.23 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.57 4.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 1.04 0.00 0.00 143 S 8.26 4.17 0.00 3.86 3.61 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 0.00 144 I 8.37 3.66 1.85 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 1.70 0.55 0.94 0.00 0.00 145 Q 7.97 3.95 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 146 E 8.28 3.89 0.00 1.98 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 2.39 2.38 0.00 147 A 7.85 4.12 1.16 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 0.00 0.00 0.00 0.00 0.00 148 E 8.40 3.89 0.00 2.02 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 2.18 2.26 0.00 149 S 8.28 4.07 0.00 3.95 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 0.00 150 Y 8.59 4.11 0.00 3.22 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 0.00 151 A 8.25 3.88 1.48 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 0.00 0.00 152 E 8.18 3.81 0.00 2.03 2.06 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 2.27 2.28 0.00 153 S 7.92 4.22 0.00 4.04 4.08 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 0.00 154 V 6.83 4.02 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 0.25 0.00 0.00 0.57 0.00 0.00 155 G 7.81 3.74 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 0.00 0.00 0.00 156 A 7.99 4.72 1.25 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 0.00 157 K 8.42 4.52 0.00 1.47 1.66 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.22 7.81 158 H 8.39 5.35 0.00 3.13 3.12 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 8.44 4.76 0.00 2.78 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 0.00 160 H 8.78 5.47 0.00 3.10 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.75 4.90 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 1.16 0.00 0.00 162 S 9.09 4.68 0.00 3.79 3.66 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 0.00 163 A 8.72 4.00 1.52 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 0.00 164 K 7.64 2.48 0.00 0.83 1.44 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.11 0.77 7.81 165 Q 7.79 4.14 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.44 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 166 N 7.21 4.14 0.00 2.82 2.80 0.00 0.00 6.93 6.56 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 0.00 167 K 8.30 4.50 0.00 1.80 1.66 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.24 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.30 7.81 168 G 8.80 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 0.00 0.00 0.00 169 I 7.67 3.73 1.98 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 1.70 0.83 1.12 0.00 0.00 170 E 8.36 4.18 0.00 2.06 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 0.00 2.53 2.45 0.00 171 E 8.17 4.02 0.00 2.25 2.06 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 2.44 2.47 0.00 172 L 7.86 3.26 0.00 1.42 1.55 -0.25 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.77 3.83 0.00 2.49 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 0.00 174 L 8.03 4.01 0.00 1.92 1.92 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.21 4.31 0.00 3.01 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 0.00 176 L 7.84 3.81 0.00 1.56 1.62 0.78 0.62 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 0.00 177 C 8.09 3.92 0.00 3.24 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 0.00 178 K 8.06 3.80 0.00 1.95 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.68 7.81 179 R 8.13 3.90 0.00 1.90 1.90 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 180 M 7.65 3.79 0.00 0.53 0.98 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 181 I 7.54 3.84 1.79 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.39 0.59 0.00 0.00 182 E 8.13 4.23 0.00 2.08 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 2.26 2.19 0.00 183 T 8.01 4.32 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 * Residues marked with a * may have inaccurate shift predictions.