NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4022 0.0000 0.0000 61.3806 33.6562 176.0369 3 R 4.3342 7.4357 115.8986 55.1142 32.8778 169.0709 4 V 4.6317 8.2270 117.2843 59.3691 36.8311 174.7502 5 V 3.9064 8.3390 121.6614 61.8930 31.9212 174.3751 6 P 4.3991 0.0000 0.0000 65.1677 31.3326 176.0448 7 D 4.7957 7.6325 118.1369 50.9562 40.7391 175.0333 8 Q 3.9880 8.0296 121.6886 58.9125 29.1906 177.9201 9 R 2.5100 7.6795 118.4915 59.4554 29.9042 178.6468 10 S 4.0231 7.8936 112.1552 61.0246 62.4511 175.8825 11 K 3.9344 7.7541 122.5918 59.4165 31.7386 178.6727 12 F 3.5104 7.8172 119.8795 60.5669 39.2590 176.2187 13 E 4.3249 7.8919 116.5605 57.4317 29.9309 177.1201 14 N 4.8681 8.0020 113.6739 51.7433 40.0622 174.0085 15 E 4.5449 7.8033 123.3591 54.4645 30.9787 175.5761 16 E 3.8425 9.0505 125.6998 60.0783 29.1561 179.1412 17 F 3.7391 8.0132 121.5413 60.6213 39.7374 177.1209 18 F 3.9607 8.1133 116.0988 59.4340 38.8603 178.2538 19 R 3.7617 7.7271 119.3240 58.6810 29.7615 179.1352 20 K 3.8146 7.9428 116.5936 58.3209 32.2755 178.0966 21 L 4.0658 6.9964 117.3852 54.1018 41.8861 178.0592 22 S 4.5952 8.1173 115.3106 59.7696 63.6225 174.1621 23 R 4.6877 7.3777 119.2308 53.8393 32.1155 175.1222 24 E 3.8954 8.3668 120.1450 55.8286 30.0165 176.2128 25 C 4.7508 8.8538 117.3112 56.6455 34.2853 172.9485 26 E 4.5462 8.8594 119.1567 56.8905 29.9111 176.5957 27 I 4.9048 8.7985 118.4572 59.2164 41.4854 174.6015 28 K 4.6771 8.5321 123.3777 55.0207 35.8572 174.4033 29 Y 4.7992 8.7575 129.6811 58.5519 39.4619 176.2536 30 T 4.3165 8.6733 115.5462 61.1034 69.8660 174.8178 31 G 3.4393 5.8310 110.5424 45.8701 0.0000 173.1697 32 F 3.6839 7.7661 117.8621 59.0091 36.1767 177.4742 33 R 3.5362 7.4773 118.0493 59.9184 30.5906 176.2548 34 D 4.6864 7.6052 126.9396 53.1193 39.8667 175.7346 35 R 4.4486 8.0403 118.2178 53.2074 34.0411 173.6232 36 P 4.2378 0.0000 0.0000 63.5318 32.9538 176.9423 37 H 4.0803 9.0428 120.8973 59.7590 29.4477 177.3703 38 E 4.7750 8.1001 121.0710 58.7413 29.2573 178.7999 39 E 3.8962 7.9537 119.0768 59.3231 29.8252 178.8207 40 R 4.0301 8.1661 118.1528 59.4242 30.2041 179.1037 41 Q 3.9540 8.1014 117.7729 58.6118 28.5901 178.5751 42 A 3.9001 7.5929 121.6349 55.1500 18.5414 179.4576 43 R 3.6916 8.0397 116.8340 59.6088 30.2047 178.8080 44 F 3.6745 8.1531 119.9109 61.2679 39.2371 177.1133 45 Q 3.7381 7.7994 117.0126 59.1581 28.5391 178.2696 46 N 4.1730 8.4675 117.4879 56.2299 38.5919 176.9328 47 A 3.9975 8.5593 122.0589 55.7787 18.4762 179.5698 48 C 3.9929 7.7077 114.6104 63.1499 28.0021 176.6303 49 R 4.1734 7.5690 117.8854 58.7076 29.5459 177.7337 50 D 4.9368 7.8209 117.1035 53.5417 41.3718 176.8503 51 G 3.7323 8.5739 107.5217 45.9244 0.0000 173.6204 52 R 5.2650 8.3990 114.4657 53.4235 32.6699 174.1125 53 S 4.7373 7.8576 113.1203 57.9692 66.4615 173.5319 54 E 5.0404 8.9647 121.8180 54.6991 32.4048 175.1109 55 I 5.1433 8.6877 124.9512 59.3152 41.7123 174.6243 56 A 5.0605 8.6439 126.0082 50.0017 22.8310 175.4906 57 F 4.5324 9.3609 120.5405 57.1565 39.2039 177.1126 58 V 3.5847 8.4767 118.5351 64.2781 31.4809 178.0974 59 A 4.1516 7.9983 118.7030 55.8054 18.3555 179.3732 60 T 4.1458 7.9175 111.6139 64.1238 68.7646 175.8977 61 G 3.7893 8.3084 108.3200 46.1864 0.0000 173.2675 62 T 4.4499 7.9112 117.1086 62.3733 69.4074 173.1402 63 N 5.3169 8.7648 125.6310 52.0473 40.8319 174.0401 64 L 4.8566 9.0575 124.5971 53.0619 46.5133 175.0953 65 S 4.8789 8.5898 117.1611 56.9683 63.7181 173.0598 66 L 4.5628 8.9411 126.9829 52.7701 44.9736 175.3748 67 Q 4.5050 8.1658 120.8484 53.4301 30.8240 176.7025 68 F 5.1182 7.7225 128.0016 56.0079 36.6786 175.0459 69 F 4.3321 7.3365 116.0352 54.4937 43.3406 174.0988 70 P 4.8057 0.0000 0.0000 64.9318 31.2896 177.1365 *80 T 4.2024 7.6666 113.7264 62.5374 69.4509 172.0038 81 P 4.7000 0.0000 0.0000 62.0508 32.3398 178.2751 82 S 4.5107 8.3963 114.0625 58.7191 65.3426 174.1313 83 R 4.7195 8.4089 119.6792 57.3207 30.4811 177.6546 84 E 3.9753 8.3136 119.1274 58.8330 29.9573 176.6560 85 Y 4.3033 8.0131 115.4225 58.5991 40.4494 175.0999 86 V 4.0216 7.8016 117.8758 60.9319 33.8410 173.6756 87 D 4.9510 9.5058 128.6168 52.5266 42.4245 176.0322 88 L 4.7179 8.5615 124.9408 54.7126 41.9900 177.3268 89 E 4.2489 8.4215 119.2100 57.3716 30.6849 180.0778 90 R 3.3540 7.1681 120.1195 58.6296 32.3681 176.5551 91 E 4.3023 8.4072 121.3516 54.7058 31.0585 173.6535 92 A 4.1060 8.4862 129.3228 54.0337 18.9499 177.1253 93 G 4.0980 10.3091 109.1797 45.1377 0.0000 173.2918 94 K 5.0750 7.5864 116.2051 55.3366 35.9665 175.3343 95 V 4.7621 8.3515 119.0352 60.2852 34.2382 174.0616 96 Y 4.8629 9.4705 122.6525 56.7642 39.6052 174.5956 97 L 5.7975 9.4837 124.3274 51.9364 45.4663 175.4671 98 K 5.4403 8.7420 122.0111 54.8757 36.0227 174.9936 99 A 4.9129 9.6449 129.2512 50.5718 22.1073 173.3383 100 P 5.1932 0.0000 0.0000 63.1471 32.7428 175.6887 101 M 4.7182 8.9760 120.0566 55.0147 35.4051 173.3171 102 I 4.7937 8.3863 119.5738 59.5202 38.8495 175.0092 103 L 4.6633 8.9309 128.1326 54.6742 43.9921 176.2240 104 N 4.0804 10.0099 124.8830 54.4713 36.0789 175.0672 105 G 4.0963 8.2971 105.9940 45.3978 0.0000 172.8616 106 V 4.8804 7.9602 113.2670 59.3216 34.9292 174.5623 107 C 4.7969 10.0039 122.7824 60.0776 28.9081 173.2498 108 V 5.0464 8.9554 116.6564 59.6672 36.2871 174.6581 109 I 5.1305 9.1704 122.2198 59.4840 40.6802 174.5996 110 W 5.1797 9.8520 135.0000 56.1648 32.1196 174.9161 111 K 5.1862 8.2895 126.8933 54.7650 35.3585 175.7939 112 G 3.7859 8.3684 110.1358 45.5609 0.0000 171.7630 113 W 5.6244 7.9239 116.2259 54.6027 32.0251 174.4684 114 I 4.9095 8.6157 121.2213 59.4075 41.0898 174.1845 115 D 4.8151 9.8623 127.8376 54.0725 41.3846 177.1656 116 L 3.7768 8.9801 127.4960 57.3229 41.8790 178.2971 117 Q 4.2805 8.5415 119.7551 58.4092 29.4339 177.2183 118 R 4.0422 8.1768 115.7864 57.1387 30.6329 176.8329 119 L 3.4276 8.9668 117.9728 55.1138 39.4529 173.4640 120 D 4.8128 7.3470 116.1853 51.8520 43.1880 173.7466 121 G 3.3272 7.2131 104.1196 45.8699 0.0000 171.1835 122 M 4.7400 4.0000 119.5597 53.5038 35.3897 175.3798 123 G 4.0213 8.9206 108.9756 45.9830 0.0000 171.1313 124 C 5.2453 8.8465 114.7269 57.5353 33.3893 172.9270 125 L 5.2524 8.8468 119.7175 54.0239 43.4477 176.5510 126 E 4.8644 8.8004 119.0700 54.8739 34.3577 174.6718 127 F 3.7978 8.0509 127.2894 58.2364 40.0485 175.2212 128 D 4.1755 8.4648 128.2640 52.6949 39.1407 176.3411 129 E 3.2779 7.7475 119.3465 58.8229 30.2546 177.7192 130 E 3.9853 8.0568 118.2893 60.1237 29.5259 179.7855 131 R 3.9650 8.2413 117.1060 58.7180 29.8813 178.6538 132 A 4.1309 7.6848 119.6805 54.1358 18.4269 178.7642 133 Q 4.2899 7.8487 116.3369 57.8014 29.0720 177.2398 134 Q 4.3959 7.3168 116.6651 56.5044 28.8336 175.9127 135 E 4.2163 7.6433 124.3804 56.5244 29.6657 176.0323 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 P 0.00 4.40 0.00 2.07 2.15 0.00 3.71 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 1.93 2.08 0.00 3 R 7.44 4.33 0.00 1.80 1.78 0.00 3.24 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 4 V 8.23 4.63 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 0.83 0.00 0.00 0.96 0.00 0.00 5 V 8.34 3.91 2.11 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 0.83 0.00 0.00 0.98 0.00 0.00 6 P 0.00 4.40 0.00 2.22 2.19 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 7 D 7.63 4.80 0.00 2.72 2.53 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 8 Q 8.03 3.99 0.00 2.42 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.76 2.68 0.00 9 R 7.68 2.51 0.00 0.67 1.40 0.00 3.08 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.00 10 S 7.89 4.02 0.00 3.90 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 11 K 7.75 3.93 0.00 1.79 1.84 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.31 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.61 7.81 12 F 7.82 3.51 0.00 2.74 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 13 E 7.89 4.32 0.00 1.97 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 2.38 2.57 0.00 14 N 8.00 4.87 0.00 2.68 2.83 0.00 0.00 6.87 7.78 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 15 E 7.80 4.54 0.00 2.14 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 2.52 2.34 0.00 16 E 9.05 3.84 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 17 F 8.01 3.74 0.00 2.91 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 18 F 8.11 3.96 0.00 2.83 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 0.00 0.00 0.00 0.00 19 R 7.73 3.76 0.00 1.84 1.88 0.00 3.12 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 20 K 7.94 3.81 0.00 1.41 1.70 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.57 7.81 21 L 7.00 4.07 0.00 1.24 0.99 0.31 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.12 4.60 0.00 4.03 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 23 R 7.38 4.69 0.00 1.75 1.85 0.00 3.22 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 24 E 8.37 3.90 0.00 1.98 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 2.32 2.39 0.00 25 C 8.85 4.75 0.00 2.95 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 26 E 8.86 4.55 0.00 1.94 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 2.36 2.31 0.00 27 I 8.80 4.90 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.61 0.66 0.00 0.00 28 K 8.53 4.68 0.00 1.79 1.60 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.36 7.81 29 Y 8.76 4.80 0.00 2.67 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 30 T 8.67 4.32 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 1.23 0.00 0.00 31 G 5.83 3.44 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 0.00 0.00 0.00 32 F 7.77 3.68 0.00 3.31 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 33 R 7.48 3.54 0.00 1.69 1.87 0.00 3.24 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 34 D 7.61 4.69 0.00 2.71 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 35 R 8.04 4.45 0.00 2.13 1.83 0.00 3.84 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 36 P 0.00 4.24 0.00 2.16 2.03 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 37 H 9.04 4.08 0.00 3.28 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.10 4.77 0.00 2.10 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 2.42 2.31 0.00 39 E 7.95 3.90 0.00 2.00 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 2.21 2.31 0.00 40 R 8.17 4.03 0.00 2.08 2.22 0.00 3.58 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.06 0.00 41 Q 8.10 3.95 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 42 A 7.59 3.90 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 43 R 8.04 3.69 0.00 1.87 1.76 0.00 2.21 0.00 0.00 2.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 0.00 44 F 8.15 3.67 0.00 2.19 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 45 Q 7.80 3.74 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 46 N 8.47 4.17 0.00 2.80 2.83 0.00 0.00 6.94 7.37 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 47 A 8.56 4.00 1.44 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 0.00 0.00 48 C 7.71 3.99 0.00 2.75 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 49 R 7.57 4.17 0.00 1.90 1.98 0.00 3.12 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 50 D 7.82 4.94 0.00 2.70 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 51 G 8.57 3.73 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 0.00 0.00 0.00 52 R 8.40 5.26 0.00 1.68 1.89 0.00 3.14 0.00 0.00 3.05 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.41 0.00 53 S 7.86 4.74 0.00 4.13 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 54 E 8.96 5.04 0.00 1.87 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 2.20 2.26 0.00 55 I 8.69 5.14 1.56 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 1.08 0.00 0.00 56 A 8.64 5.06 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 57 F 9.36 4.53 0.00 2.94 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 58 V 8.48 3.58 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 0.70 0.00 0.00 0.97 0.00 0.00 59 A 8.00 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 60 T 7.92 4.15 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 61 G 8.31 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 62 T 7.91 4.45 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 63 N 8.76 5.32 0.00 2.71 2.70 0.00 0.00 7.00 7.78 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 64 L 9.06 4.86 0.00 1.37 1.38 1.29 0.84 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 65 S 8.59 4.88 0.00 3.80 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 66 L 8.94 4.56 0.00 0.70 0.80 -0.75 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.17 4.50 0.00 1.90 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.60 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 68 F 7.72 5.12 0.00 2.55 2.92 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 69 F 7.34 4.33 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 70 P 0.00 4.81 0.00 2.03 2.23 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 *80 T 7.67 4.20 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 81 P 0.00 4.70 0.00 2.10 1.50 0.00 3.97 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 82 S 8.40 4.51 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 83 R 8.41 4.72 0.00 1.81 2.02 0.00 3.27 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 84 E 8.31 3.98 0.00 1.94 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 1.88 2.20 0.00 85 Y 8.01 4.30 0.00 3.05 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 86 V 7.80 4.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.82 0.00 0.00 87 D 9.51 4.95 0.00 2.96 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.56 4.72 0.00 1.67 1.67 0.89 0.98 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 89 E 8.42 4.25 0.00 2.17 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 0.00 2.27 2.23 0.00 90 R 7.17 3.35 0.00 1.84 1.90 0.00 2.62 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.38 0.00 91 E 8.41 4.30 0.00 2.10 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 2.17 2.21 0.00 92 A 8.49 4.11 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 93 G 10.31 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 94 K 7.59 5.08 0.00 2.08 1.78 0.00 0.91 0.00 0.00 1.35 0.00 0.00 2.84 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.36 1.23 7.81 95 V 8.35 4.76 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 0.89 0.00 0.00 0.89 0.00 0.00 96 Y 9.47 4.86 0.00 3.01 3.01 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 97 L 9.48 5.80 0.00 1.84 1.24 0.92 -0.53 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 98 K 8.74 5.44 0.00 1.80 1.57 0.00 1.38 0.00 0.00 0.85 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.47 7.81 99 A 9.64 4.91 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 0.00 100 P 0.00 5.19 0.00 2.05 2.10 0.00 3.89 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 101 M 8.98 4.72 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 102 I 8.39 4.79 1.93 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 1.34 0.70 1.04 0.00 0.00 103 L 8.93 4.66 0.00 1.98 1.95 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 104 N 10.01 4.08 0.00 3.04 2.87 0.00 0.00 7.24 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 0.00 105 G 8.30 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 0.00 106 V 7.96 4.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.08 0.00 0.00 107 C 10.00 4.80 0.00 2.65 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 0.00 108 V 8.96 5.05 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.24 0.00 0.00 109 I 9.17 5.13 1.95 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 1.21 1.49 1.07 0.00 0.00 110 W 9.85 5.18 0.00 3.57 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.29 5.19 0.00 1.68 1.66 0.00 2.13 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 112 G 8.37 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 0.00 113 W 7.92 5.62 0.00 2.66 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.62 4.91 2.00 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 0.96 1.28 0.58 0.00 0.00 115 D 9.86 4.82 0.00 2.91 2.69 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 0.00 116 L 8.98 3.78 0.00 1.80 1.79 0.97 1.41 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 0.00 117 Q 8.54 4.28 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 118 R 8.18 4.04 0.00 2.04 2.01 0.00 3.43 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 119 L 8.97 3.43 0.00 1.86 1.73 0.97 0.19 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 0.00 120 D 7.35 4.81 0.00 2.84 2.69 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 0.00 121 G 7.21 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 M 4.00 4.74 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.62 0.00 123 G 8.92 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 0.00 124 C 8.85 5.25 0.00 3.04 3.03 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 0.00 125 L 8.85 5.25 0.00 1.70 2.01 1.38 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.80 4.86 0.00 2.09 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 2.29 2.34 0.00 127 F 8.05 3.80 0.00 1.51 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 0.00 128 D 8.46 4.18 0.00 2.59 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 0.00 0.00 0.00 0.00 129 E 7.75 3.28 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 130 E 8.06 3.99 0.00 1.99 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 2.59 2.42 0.00 131 R 8.24 3.97 0.00 1.83 1.93 0.00 3.25 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 132 A 7.68 4.13 1.15 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 0.00 0.00 133 Q 7.85 4.29 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 134 Q 7.32 4.40 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.88 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 135 E 7.64 4.22 0.00 2.18 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 2.56 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.