NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1645 8.3033 121.7157 56.2134 31.5578 173.9895 2 T 4.6892 7.9930 121.4349 61.2692 70.9743 172.5384 3 F 4.6672 9.8389 127.1806 56.0092 41.7870 174.5169 4 T 4.8202 8.4775 120.3199 62.1851 70.1476 174.2489 5 V 4.5135 8.5883 126.2075 60.8824 34.1738 174.7886 6 K 4.6571 9.3852 128.6507 56.6937 33.6566 176.2230 7 M 4.4866 9.4889 124.9965 56.1783 33.3848 175.6840 8 G 4.0575 8.9261 112.3197 46.8948 0.0000 172.5973 9 A 4.3874 8.4986 126.4844 51.5876 19.1843 178.0846 10 D 4.4118 8.7008 119.9372 57.5536 40.9244 178.7725 11 S 4.1089 7.8580 111.8140 59.6478 63.1666 175.0578 12 G 3.8217 8.1860 110.1248 44.5881 0.0000 173.8642 13 L 3.5490 7.3177 119.8265 55.0872 42.7545 177.0603 14 F 5.0474 8.1790 122.2058 56.4849 37.3393 174.4900 15 Q 4.6231 7.7258 119.6693 53.7577 33.7081 174.0691 16 F 5.0025 8.7657 120.9611 57.3534 40.4523 174.9057 17 E 4.7269 9.3855 123.6804 53.8141 32.3663 172.8354 18 P 4.8175 0.0000 0.0000 62.6262 32.1145 176.5416 19 A 4.3531 8.8629 123.2854 54.1427 19.8081 176.7889 20 N 5.4647 8.1304 112.4057 51.5325 41.2077 174.6532 21 V 4.2630 8.6384 123.0308 61.2644 35.2483 173.9862 22 T 4.9215 8.0287 123.2274 61.8560 70.6186 174.1077 23 V 4.3969 8.6638 120.9244 60.4156 35.9681 175.0860 *24 H 5.0880 9.3502 122.0208 52.8226 30.3082 173.5202 25 P 4.4845 0.0000 0.0000 64.8038 31.5586 176.7004 26 G 4.0516 9.3909 111.7572 45.3060 0.0000 173.5715 27 D 4.8274 8.2100 119.4886 54.5216 42.5380 175.3855 28 T 5.1106 8.8558 116.7888 61.8667 72.0548 173.3978 29 V 4.5891 8.5526 124.9956 60.8186 34.4308 174.1509 30 K 4.8564 8.6326 128.8351 54.4339 34.8276 174.5721 31 W 5.2262 9.4595 128.7764 55.8226 31.0214 175.7972 32 V 4.9654 8.9710 123.9598 60.8098 34.5256 174.3731 33 N 4.6050 9.3881 125.9533 54.2918 38.9743 173.2452 34 N 4.9033 9.3151 120.7692 54.4011 40.5746 174.4155 35 K 4.5662 7.3931 116.6364 55.6493 36.6594 176.1022 36 L 3.6983 8.6894 120.9382 55.4278 38.7477 172.0422 37 P 4.4040 0.0000 0.0000 61.8566 32.8274 175.7537 38 P 5.0779 0.0000 0.0000 62.1726 32.4579 174.7641 39 H 5.1254 8.3769 116.7729 54.2970 33.6738 171.6484 40 N 5.2208 8.3679 115.6583 51.8226 41.5868 172.7742 41 I 4.5478 8.2219 118.0297 59.7070 40.5788 174.9234 42 L 4.7570 8.4251 128.2457 52.5477 44.1673 176.2638 43 F 4.5652 8.9740 123.7785 56.8999 40.2069 175.1608 44 D 4.7870 9.2562 123.7459 53.3323 41.4724 176.9175 45 D 4.6151 8.9111 127.0309 56.1282 39.5423 178.1119 46 K 4.3451 8.3450 117.6777 57.7425 32.5964 176.8071 47 Q 4.7124 8.5454 119.5576 55.8471 29.9748 175.0354 48 V 4.8195 7.4189 108.3149 57.1633 35.3599 173.6916 49 P 4.2697 0.0000 0.0000 64.1505 31.4829 177.7397 50 G 3.8251 8.9842 108.7766 45.0707 0.0000 173.0383 51 A 4.4023 7.8292 119.9419 51.4906 16.9091 178.4961 52 S 4.3362 7.6368 114.1166 58.8680 63.2166 173.3860 53 K 3.9628 8.6869 129.8303 59.5080 31.8275 178.5889 54 E 3.9008 8.1985 119.0377 59.3077 29.5116 178.6114 55 L 3.8948 8.1069 119.9344 58.0863 41.9889 178.7416 56 A 4.1199 7.9922 119.5225 55.4483 18.4732 179.0744 57 D 4.4608 8.6673 117.8641 57.2546 40.6131 178.9069 58 K 3.9626 8.1592 119.7736 59.4834 32.3288 178.5141 59 L 4.0984 7.7356 117.4202 55.8309 41.8894 177.7311 60 S 4.5828 6.9813 114.8442 58.5629 63.8751 173.8082 61 H 4.3675 8.3485 123.3693 53.7074 29.0518 174.3087 62 S 4.0604 7.9228 117.7892 60.1738 63.6145 175.9533 63 Q 4.0246 7.6817 121.9728 55.6130 29.2737 175.7001 64 L 4.1133 8.4878 125.1659 55.1071 42.4765 176.5039 65 M 4.6219 8.7746 123.1795 54.0570 32.4503 176.6523 66 F 4.2934 8.9445 123.1741 58.8365 40.3969 177.1873 67 S 4.5449 8.4267 116.7577 56.9448 63.4669 171.9486 68 P 4.4800 0.0000 0.0000 64.1159 31.4230 176.7210 69 G 4.0178 9.0225 109.7807 45.2436 0.0000 173.0143 70 E 4.2649 8.2196 121.7118 56.4136 30.5143 176.0058 71 S 5.5181 8.7211 119.8701 56.8525 66.6989 172.5351 72 Y 5.1560 9.2247 121.9719 56.1478 41.8463 173.7354 73 E 5.0174 8.5648 123.1780 54.7863 33.4078 174.4661 74 I 4.4598 8.2517 119.7960 59.9534 42.0238 173.4432 75 T 4.7678 8.1816 124.8239 62.3677 69.9502 175.8003 76 F 3.6951 9.2011 127.2582 56.2705 37.9467 175.9706 77 S 4.5847 8.0962 117.8757 57.4777 64.8076 175.7818 78 S 4.3929 8.6038 115.3267 60.8845 62.5811 174.7137 79 D 4.5064 8.0586 118.8421 53.1701 39.2849 176.0315 80 F 4.6678 7.9879 119.7684 55.1660 39.2916 173.8518 81 P 4.5604 0.0000 0.0000 61.8406 31.9850 176.2844 82 A 4.2602 8.5125 122.3107 52.7213 19.0042 177.9350 83 G 4.0615 7.6406 107.3908 44.0779 0.0000 172.1363 84 T 5.2398 8.0945 109.5858 60.4062 71.7755 173.6361 85 Y 5.0628 9.4084 120.8629 57.0072 41.4737 174.3917 86 T 5.1448 9.1082 122.3602 62.4872 70.6939 173.9429 87 Y 5.2673 8.4603 123.1286 55.6718 42.2943 173.0873 88 Y 5.3533 8.3703 116.9226 56.1786 41.9441 172.9510 89 C 5.3322 9.4622 120.1831 57.2083 32.7496 174.2511 90 A 4.2503 9.7299 130.4793 55.0153 18.3667 177.4842 91 P 4.0860 0.0000 0.0000 65.4941 31.5382 177.0011 92 H 4.7291 7.6868 112.9343 55.2797 29.7503 175.9772 93 R 3.9158 8.0631 123.1594 59.4919 29.9538 179.1661 94 G 3.5335 8.0281 104.7674 48.0327 0.0000 173.8091 95 A 4.2429 7.9229 120.4136 52.5771 19.1128 177.7187 96 G 3.9453 8.2109 104.4382 45.3914 0.0000 174.4895 97 M 4.4923 8.0415 121.8428 54.4626 31.2497 175.0536 98 V 5.0120 8.1718 122.6653 61.0491 35.8450 173.5423 99 G 3.6657 7.9507 110.6460 45.2027 0.0000 171.3694 100 K 5.2007 9.1684 120.5660 55.1912 35.9967 174.6520 101 I 4.9877 9.4448 128.7703 60.0462 39.7091 174.5365 102 T 4.9885 8.8845 124.2617 61.8984 70.8513 173.5627 103 V 4.4250 8.8900 127.7935 61.6249 32.8919 175.4852 104 E 4.4134 8.9192 128.3835 56.2735 30.6687 177.3964 105 G 3.8453 8.8482 109.0629 45.8772 0.0000 174.0837 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 E 8.30 4.16 0.00 1.91 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 1.47 1.82 0.00 2 T 7.99 4.69 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 3 F 9.84 4.67 0.00 2.74 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.48 4.82 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 1.21 0.00 0.00 5 V 8.59 4.51 1.60 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 1.47 0.00 0.00 0.65 0.00 0.00 6 K 9.39 4.66 0.00 1.86 1.76 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.46 7.81 7 M 9.49 4.49 0.00 1.69 2.05 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 3.03 0.00 8 G 8.93 4.06 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 0.00 0.00 0.00 9 A 8.50 4.39 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 10 D 8.70 4.41 0.00 2.66 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 11 S 7.86 4.11 0.00 3.91 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 12 G 8.19 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 13 L 7.32 3.55 0.00 1.54 1.49 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.18 5.05 0.00 2.90 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 15 Q 7.73 4.62 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 16 F 8.77 5.00 0.00 3.07 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 17 E 9.39 4.73 0.00 2.05 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 2.23 2.27 0.00 18 P 0.00 4.82 0.00 2.28 2.05 0.00 3.96 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 19 A 8.86 4.35 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 20 N 8.13 5.46 0.00 2.57 2.70 0.00 0.00 6.59 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 21 V 8.64 4.26 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 0.31 0.00 0.00 0.80 0.00 0.00 22 T 8.03 4.92 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 1.15 0.00 0.00 23 V 8.66 4.40 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 0.22 0.00 0.00 0.20 0.00 0.00 *24 H 9.35 5.09 0.00 2.57 2.92 0.00 7.23 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 25 P 0.00 4.48 0.00 2.07 2.13 0.00 3.63 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 2.08 2.18 0.00 26 G 9.39 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 27 D 8.21 4.83 0.00 2.74 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.86 5.11 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 29 V 8.55 4.59 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 -0.49 0.00 0.00 0.66 0.00 0.00 30 K 8.63 4.86 0.00 1.70 1.51 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.36 7.81 31 W 9.46 5.23 0.00 3.53 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 32 V 8.97 4.97 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 1.13 0.00 0.00 0.99 0.00 0.00 33 N 9.39 4.60 0.00 2.84 2.81 0.00 0.00 6.10 6.67 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 34 N 9.32 4.90 0.00 2.72 3.10 0.00 0.00 7.01 6.31 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 35 K 7.39 4.57 0.00 1.86 1.61 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.64 7.81 36 L 8.69 3.70 0.00 1.93 1.90 0.88 1.08 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 37 P 0.00 4.40 0.00 2.09 2.06 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 38 P 0.00 5.08 0.00 1.42 0.49 0.00 3.11 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.01 0.00 39 H 8.38 5.13 0.00 3.05 3.15 0.00 5.57 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 40 N 8.37 5.22 0.00 2.88 2.84 0.00 0.00 5.68 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 41 I 8.22 4.55 1.34 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.27 -0.27 0.00 0.00 42 L 8.43 4.76 0.00 0.30 1.01 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.97 4.57 0.00 3.21 3.21 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 44 D 9.26 4.79 0.00 2.94 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 45 D 8.91 4.62 0.00 2.91 2.99 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 46 K 8.35 4.35 0.00 1.93 1.92 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.57 7.81 47 Q 8.55 4.71 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 48 V 7.42 4.82 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 1.25 0.00 0.00 0.96 0.00 0.00 49 P 0.00 4.27 0.00 2.07 1.91 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 50 G 8.98 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 51 A 7.83 4.40 1.33 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 52 S 7.64 4.34 0.00 3.93 3.77 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 53 K 8.69 3.96 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.52 7.81 54 E 8.20 3.90 0.00 2.01 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 2.33 2.35 0.00 55 L 8.11 3.89 0.00 1.81 1.88 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.99 4.12 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.67 4.46 0.00 2.87 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 58 K 8.16 3.96 0.00 1.81 2.04 0.00 1.68 0.00 0.00 1.44 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.51 7.81 59 L 7.74 4.10 0.00 1.12 0.64 0.45 0.03 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 60 S 6.98 4.58 0.00 3.95 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 61 H 8.35 4.37 0.00 1.40 2.46 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.92 4.06 0.00 3.96 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 63 Q 7.68 4.02 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 64 L 8.49 4.11 0.00 1.79 1.24 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 65 M 8.77 4.62 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 66 F 8.94 4.29 0.00 3.02 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.43 4.54 0.00 4.12 3.84 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 68 P 0.00 4.48 0.00 2.07 2.04 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 69 G 9.02 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 70 E 8.22 4.26 0.00 2.28 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 2.38 2.35 0.00 71 S 8.72 5.52 0.00 3.99 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 72 Y 9.22 5.16 0.00 2.93 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 73 E 8.56 5.02 0.00 1.91 1.76 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 2.12 2.19 0.00 74 I 8.25 4.46 1.60 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.13 0.63 0.00 0.00 75 T 8.18 4.77 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 1.30 0.00 0.00 76 F 9.20 3.70 0.00 2.92 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 77 S 8.10 4.58 0.00 4.09 4.14 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 78 S 8.60 4.39 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.06 4.51 0.00 2.51 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.99 4.67 0.00 3.29 3.21 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 81 P 0.00 4.56 0.00 2.26 2.12 0.00 4.03 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 82 A 8.51 4.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.64 4.06 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 0.00 0.00 0.00 84 T 8.09 5.24 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 1.26 0.00 0.00 85 Y 9.41 5.06 0.00 3.35 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 9.11 5.14 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 87 Y 8.46 5.27 0.00 2.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 5.35 0.00 3.14 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 89 C 9.46 5.33 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 9.73 4.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.09 0.00 1.78 1.85 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 92 H 7.69 4.73 0.00 3.03 3.01 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.06 3.92 0.00 2.05 1.87 0.00 2.50 0.00 0.00 2.84 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.00 94 G 8.03 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 95 A 7.92 4.24 1.40 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 0.00 0.00 96 G 8.21 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 97 M 8.04 4.49 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.81 0.00 98 V 8.17 5.01 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 0.82 0.00 0.00 0.99 0.00 0.00 99 G 7.95 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 9.17 5.20 0.00 1.76 1.79 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.53 7.81 101 I 9.44 4.99 2.06 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 1.78 1.27 0.37 0.00 0.00 102 T 8.88 4.99 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 1.22 0.00 0.00 103 V 8.89 4.42 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.70 0.00 0.00 104 E 8.92 4.41 0.00 2.26 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 2.34 2.14 0.00 105 G 8.85 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.