NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.3642 8.0976 119.7071 56.2700 32.5349 177.5522 7 K 3.8415 7.8996 117.3807 59.8972 32.5517 177.4167 8 T 3.8944 8.7044 117.7687 66.5841 68.3953 177.7971 9 R 4.0071 7.9788 119.9019 59.0406 29.7901 179.1934 10 K 3.8430 7.8572 117.9691 58.9910 32.2033 178.7028 11 L 4.1340 7.8363 120.2866 57.5780 40.0044 177.5706 12 R 4.0999 6.8659 119.4758 58.1032 30.1573 176.0260 13 G 4.0577 8.9867 113.9578 45.7945 0.0000 173.8829 14 H 4.0263 8.5704 120.2146 57.0517 29.9470 177.8270 15 V 3.6457 7.7139 115.6305 62.3233 31.1910 173.4408 16 S 4.0271 8.2015 117.2775 61.9582 63.0635 175.4243 17 H 4.0463 8.8468 113.6862 57.0539 25.6641 175.1570 18 G 3.8912 8.2780 101.2564 46.7946 0.0000 174.6998 19 H 4.1240 8.1543 121.7180 58.2983 30.2667 176.4813 20 G 4.0295 7.8422 106.5711 45.3154 0.0000 173.6547 21 R 4.2064 8.2764 112.2070 54.8896 28.1130 174.2315 22 I 3.8577 7.6959 123.1503 61.0402 37.1944 176.2590 23 G 3.8188 8.3674 117.2722 44.4336 0.0000 170.6643 24 K 4.4087 8.1075 118.6755 55.1038 33.5734 178.2808 25 H 4.3579 8.0994 114.7585 55.9594 27.4150 176.1769 *28 H 4.6805 8.3319 120.8323 56.7258 31.2648 171.4918 29 P 4.6502 0.0000 0.0000 61.0996 32.2690 176.3606 30 G 3.7116 8.7679 108.2505 46.5923 0.0000 173.9495 31 G 4.0935 7.3609 106.5359 44.6275 0.0000 171.5250 32 R 4.0604 7.8453 118.6467 56.5502 30.9945 178.6581 33 G 3.9466 8.3920 110.9686 45.3823 0.0000 173.2452 34 N 4.3862 8.3140 113.0025 51.8878 37.0411 174.5732 35 A 4.0720 7.4686 123.9680 52.6110 19.9325 178.4178 36 G 3.7676 8.7385 106.8781 45.5077 0.0000 175.9453 37 G 3.3072 7.7420 110.6739 48.2414 0.0000 176.2252 38 M 4.2169 7.9552 116.5538 57.3062 33.4478 176.7499 39 H 4.5866 8.6790 113.2083 55.7385 29.4377 175.7334 40 H 4.1627 9.6918 120.4756 59.6355 29.0299 177.0688 41 H 4.1212 7.5842 117.8236 57.7418 29.8782 175.6159 42 R 4.3700 7.5823 119.3211 55.1408 27.8692 173.5578 43 I 4.3694 8.2859 120.6887 59.8446 41.2388 174.9915 44 N 4.1650 8.6257 126.4285 54.7231 36.1625 173.9074 45 F 4.7897 7.6521 115.5416 55.5065 42.6223 177.3490 46 D 4.5106 8.8892 124.3010 57.2604 40.9635 178.9999 47 K 4.0619 8.2627 117.2133 59.8399 32.9071 177.6312 48 Y 4.3604 8.1597 120.4471 60.8032 39.6255 177.1631 49 H 3.7206 7.4595 119.0825 54.9270 29.1697 174.6021 *68 S 3.8856 8.3490 112.5159 57.7184 64.0487 172.9088 69 F 4.9715 8.0167 119.0265 55.8945 41.8884 173.9876 70 C 5.0681 8.8304 120.2322 56.0501 30.7055 171.9785 71 P 4.6189 0.0000 0.0000 62.8824 32.3099 175.3380 72 T 5.1359 8.3472 112.0676 59.2767 72.1143 173.0695 73 V 4.6190 8.0832 120.1413 61.9949 35.3514 172.5595 74 N 5.3675 8.7224 123.3782 51.7738 40.7072 176.1033 75 L 4.1346 8.8713 122.0548 58.0237 41.6771 179.4651 76 D 5.1054 8.0042 117.0432 57.6219 40.9025 178.7100 77 K 3.8866 7.8979 117.4162 59.1697 32.1488 177.4142 78 P 4.4154 0.0000 0.0000 65.0431 31.1517 178.7421 79 W 4.2941 9.0443 116.2325 60.0347 27.8599 178.6329 80 T 2.6155 6.4164 115.0945 65.6958 68.0315 176.3848 81 L 4.0481 7.3808 120.0962 56.7575 41.3549 179.5159 82 V 3.6142 7.1666 112.5888 64.8833 31.6443 178.2415 83 S 4.2657 7.9697 112.4238 61.5963 62.7688 175.9728 84 E 4.0645 8.0174 120.8643 58.5864 30.6096 177.4633 85 Q 4.3599 8.3337 119.0329 55.5263 27.6718 177.0016 86 T 3.9438 7.5355 116.0091 67.3174 69.5633 176.0530 87 R 4.3804 7.1183 117.9990 55.6241 29.7111 176.2476 88 V 4.6116 7.1884 115.0785 59.7565 35.1387 175.1721 89 N 4.4147 8.9333 118.3661 54.2818 39.5600 173.5546 90 A 5.0022 8.3549 123.0342 49.5343 21.5726 174.7303 91 A 4.1756 8.3093 127.0583 51.6953 23.7491 177.9977 92 K 4.0324 8.9156 115.8718 60.1947 32.3175 176.5577 93 N 4.4934 7.5782 113.9553 52.7471 42.2115 172.2070 94 K 5.1314 8.6917 128.2820 54.7684 34.8122 175.3824 95 T 4.6049 8.9490 117.2708 60.0112 72.2365 173.3535 96 G 3.9168 8.7770 115.5840 44.6467 0.0000 174.4685 97 V 3.4657 8.9580 126.8760 65.3687 31.0488 177.9446 98 A 3.8253 7.4965 122.1264 54.7906 17.8584 177.8891 99 P 4.3388 0.0000 0.0000 65.2774 31.4667 178.3618 100 I 3.8209 7.6303 117.7830 62.7017 38.4214 176.5522 101 I 3.8416 6.2335 109.2317 60.4271 38.0910 175.5580 102 D 4.3954 8.5173 123.0424 55.3693 41.7667 176.5143 103 V 3.3251 8.3399 120.3215 62.8055 30.2615 174.1478 104 V 3.7603 7.6551 119.1387 66.8673 32.3108 176.8945 105 R 4.1147 8.1662 117.7417 59.3325 30.0359 177.3643 106 S 4.3023 7.9387 112.3405 59.1299 63.8792 176.2185 107 G 4.1896 8.9182 111.8311 45.1755 0.0000 171.7126 108 Y 5.0375 7.8158 115.7415 55.4522 42.4408 173.5078 109 Y 4.9597 8.7340 120.8647 55.9353 41.0675 174.2140 110 K 4.4623 7.6310 124.6973 54.7497 36.4068 174.8611 111 V 4.8371 7.6742 122.4267 60.7612 33.4414 174.5563 112 L 4.9890 9.2188 128.0479 52.8463 44.2011 178.0393 113 G 3.6115 8.8112 110.0959 47.4979 0.0000 174.3372 114 K 3.7221 7.9671 121.7179 58.2002 32.5509 176.5844 115 G 3.9885 8.8129 111.2407 44.4218 0.0000 172.3063 116 K 4.2044 8.1793 118.8268 55.1986 33.2965 175.7254 117 L 4.4448 7.5659 122.5745 51.5815 43.3556 174.8118 118 P 4.0764 0.0000 0.0000 63.0862 31.3048 177.0884 119 K 3.7353 8.6842 123.4441 58.8100 32.4199 176.5697 120 Q 4.4427 7.2494 118.6707 54.1372 30.1275 173.1013 121 P 4.5867 0.0000 0.0000 62.5805 32.2446 176.3346 122 V 4.6565 8.3506 115.6931 59.6613 36.0975 174.6625 123 I 4.7362 8.8290 125.7882 59.9108 39.0211 174.5074 124 V 4.8101 8.3500 127.6594 61.2088 33.8746 174.6376 125 K 5.7793 9.0153 126.3386 54.1320 34.6097 175.0599 126 A 4.9873 8.8183 125.0952 50.6217 22.2192 176.6400 127 K 4.1981 9.0731 120.9040 59.4798 33.0139 176.6663 128 F 5.1835 8.1401 119.7586 57.1183 43.2578 173.1685 129 F 5.0930 6.8804 120.5088 55.5899 43.1844 174.6318 130 S 4.4972 8.5565 116.2970 57.6715 64.8289 175.5358 131 R 3.8929 8.6790 119.7355 59.5923 29.9222 179.3586 132 R 3.9218 8.0147 117.6834 59.1601 30.1247 178.2315 133 A 4.0596 7.9105 120.8456 54.9724 18.3945 179.2630 134 E 3.7297 8.0496 117.2990 59.4904 29.7305 178.6464 135 E 3.9951 8.0312 119.0420 59.0767 29.5784 178.9783 136 K 3.9359 7.9412 118.3480 59.3953 32.0992 179.3911 137 I 3.7363 7.6772 113.3327 64.0559 37.4596 178.4126 138 K 4.3439 8.6152 124.5651 59.2427 31.5907 180.0732 *139 S 4.1777 7.9606 118.7186 63.1714 62.3284 178.8356 140 V 4.0701 7.3700 119.8058 62.4737 31.2803 176.9721 141 G 3.8108 8.5854 108.5418 45.5571 0.0000 173.7270 142 G 4.1412 8.1983 108.4627 44.7910 0.0000 172.8271 143 A 4.8457 8.8428 119.9779 50.2278 23.1223 174.8068 144 C 4.9047 8.4881 119.0100 57.2415 34.4002 173.4688 145 V 4.3989 8.8164 125.6021 59.8326 33.8273 174.3574 146 L 5.1442 8.5238 125.3963 53.5551 42.7234 177.0851 147 V 3.9614 8.4412 116.8966 61.6521 31.1521 176.2682 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 6 R 8.10 4.36 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 7 K 7.90 3.84 0.00 2.06 2.07 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.59 7.81 8 T 8.70 3.89 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 9 R 7.98 4.01 0.00 2.06 1.99 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 10 K 7.86 3.84 0.00 1.90 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.60 7.81 11 L 7.84 4.13 0.00 1.89 2.01 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 R 6.87 4.10 0.00 1.63 1.94 0.00 3.30 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 13 G 8.99 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 14 H 8.57 4.03 0.00 3.16 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.71 3.65 2.07 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 0.70 0.00 0.00 0.94 0.00 0.00 16 S 8.20 4.03 0.00 3.89 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 17 H 8.85 4.05 0.00 3.30 3.38 0.00 5.97 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 18 G 8.28 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 0.00 0.00 0.00 19 H 8.15 4.12 0.00 3.20 3.35 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.84 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.28 4.21 0.00 1.95 2.00 0.00 3.04 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 22 I 7.70 3.86 1.95 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 1.17 0.81 0.48 0.00 0.00 23 G 8.37 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 24 K 8.11 4.41 0.00 1.64 1.59 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.44 7.81 25 H 8.10 4.36 0.00 3.24 3.44 0.00 5.75 0.00 0.00 0.00 0.00 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 H 8.33 4.68 0.00 3.12 3.40 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.65 0.00 2.10 2.00 0.00 3.78 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 2.04 2.14 0.00 30 G 8.77 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.36 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.85 4.06 0.00 1.88 1.84 0.00 3.22 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 33 G 8.39 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 34 N 8.31 4.39 0.00 2.61 2.49 0.00 0.00 6.74 7.35 0.00 0.00 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 A 7.47 4.07 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 36 G 8.74 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 0.00 0.00 0.00 37 G 7.74 3.31 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 0.00 38 M 7.96 4.22 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 39 H 8.68 4.59 0.00 3.18 2.93 0.00 5.62 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 9.69 4.16 0.00 3.25 3.44 0.00 5.53 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.58 4.12 0.00 2.81 3.16 0.00 5.73 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 42 R 7.58 4.37 0.00 1.84 1.96 0.00 2.93 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 43 I 8.29 4.37 1.90 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 1.36 1.00 0.99 0.00 0.00 44 N 8.63 4.16 0.00 2.70 2.69 0.00 0.00 6.99 7.45 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 45 F 7.65 4.79 0.00 3.26 3.07 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 0.00 46 D 8.89 4.51 0.00 2.78 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 47 K 8.26 4.06 0.00 1.88 2.02 0.00 1.48 0.00 0.00 1.36 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.51 7.81 48 Y 8.16 4.36 0.00 3.06 3.52 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 49 H 7.46 3.72 0.00 3.15 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *68 S 8.35 3.89 0.00 4.02 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 69 F 8.02 4.97 0.00 3.10 2.95 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 70 C 8.83 5.07 0.00 2.57 2.31 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 71 P 0.00 4.62 0.00 2.24 2.21 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 72 T 8.35 5.14 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 1.18 0.00 0.00 73 V 8.08 4.62 2.48 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 1.00 0.00 0.00 1.04 0.00 0.00 74 N 8.72 5.37 0.00 2.75 3.01 0.00 0.00 7.05 6.74 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 75 L 8.87 4.13 0.00 1.80 1.89 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.00 5.11 0.00 3.14 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 77 K 7.90 3.89 0.00 1.90 1.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 78 P 0.00 4.42 0.00 2.17 2.13 0.00 4.30 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 2.28 2.08 0.00 79 W 9.04 4.29 0.00 3.58 3.40 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 80 T 6.42 2.62 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 0.77 0.00 0.00 81 L 7.38 4.05 0.00 1.79 1.65 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.17 3.61 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 0.92 0.00 0.00 1.05 0.00 0.00 83 S 7.97 4.27 0.00 3.82 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 84 E 8.02 4.06 0.00 1.91 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 2.26 2.33 0.00 85 Q 8.33 4.36 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 86 T 7.54 3.94 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 87 R 7.12 4.38 0.00 1.86 1.92 0.00 3.29 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 88 V 7.19 4.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 89 N 8.93 4.41 0.00 2.91 2.82 0.00 0.00 6.53 7.54 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 90 A 8.35 5.00 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 91 A 8.31 4.18 1.08 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 0.00 0.00 92 K 8.92 4.03 0.00 1.77 1.90 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 93 N 7.58 4.49 0.00 2.75 2.75 0.00 0.00 6.44 7.41 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 94 K 8.69 5.13 0.00 1.75 1.66 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.36 7.81 95 T 8.95 4.60 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 1.31 0.00 0.00 96 G 8.78 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.96 3.47 1.61 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 0.04 0.00 0.00 1.08 0.00 0.00 98 A 7.50 3.83 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 99 P 0.00 4.34 0.00 2.02 2.10 0.00 3.87 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 100 I 7.63 3.82 1.80 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 1.51 0.69 0.84 0.00 0.00 101 I 6.23 3.84 1.87 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 1.08 0.66 0.45 0.00 0.00 102 D 8.52 4.40 0.00 2.69 2.63 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 0.00 0.00 0.00 0.00 103 V 8.34 3.33 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 0.65 0.00 0.00 0.94 0.00 0.00 104 V 7.66 3.76 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 0.86 0.00 0.00 1.02 0.00 0.00 105 R 8.17 4.11 0.00 1.86 2.01 0.00 3.27 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 106 S 7.94 4.30 0.00 3.89 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 0.00 107 G 8.92 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 7.82 5.04 0.00 3.04 3.04 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 0.00 109 Y 8.73 4.96 0.00 3.14 2.95 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 0.00 110 K 7.63 4.46 0.00 1.73 1.65 0.00 1.25 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.14 1.05 7.81 111 V 7.67 4.84 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.71 0.00 0.00 112 L 9.22 4.99 0.00 1.85 1.55 0.99 0.06 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 0.00 113 G 8.81 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 0.00 0.00 0.00 114 K 7.97 3.72 0.00 1.87 1.92 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.57 7.81 115 G 8.81 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 0.00 116 K 8.18 4.20 0.00 1.62 1.29 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.81 1.20 7.81 117 L 7.57 4.44 0.00 1.48 1.55 0.89 0.97 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 0.00 118 P 0.00 4.08 0.00 2.47 2.53 0.00 3.64 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 2.21 2.11 0.00 119 K 8.68 3.74 0.00 1.71 1.94 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.40 7.81 120 Q 7.25 4.44 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 121 P 0.00 4.59 0.00 1.98 2.15 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 122 V 8.35 4.66 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 0.87 0.00 0.00 0.98 0.00 0.00 123 I 8.83 4.74 1.89 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 1.12 0.58 0.92 0.00 0.00 124 V 8.35 4.81 2.35 0.00 0.00 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 1.09 0.00 0.00 125 K 9.02 5.78 0.00 1.83 1.79 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.26 7.81 126 A 8.82 4.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 9.07 4.20 0.00 2.00 2.53 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 1.32 7.81 128 F 8.14 5.18 0.00 3.38 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 0.00 129 F 6.88 5.09 0.00 2.58 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 0.00 130 S 8.56 4.50 0.00 3.96 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 0.00 131 R 8.68 3.89 0.00 1.88 2.02 0.00 3.15 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 132 R 8.01 3.92 0.00 1.89 1.94 0.00 3.19 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 133 A 7.91 4.06 1.53 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 0.00 134 E 8.05 3.73 0.00 1.98 2.07 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 2.22 2.15 0.00 135 E 8.03 4.00 0.00 2.09 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 2.28 2.33 0.00 136 K 7.94 3.94 0.00 2.01 1.81 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.81 1.54 7.81 137 I 7.68 3.74 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.07 1.06 0.00 0.00 138 K 8.62 4.34 0.00 1.85 1.86 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.70 1.40 7.81 *139 S 7.96 4.18 0.00 3.70 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 0.00 140 V 7.37 4.07 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 1.02 0.00 0.00 0.97 0.00 0.00 141 G 8.59 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 0.00 0.00 0.00 142 G 8.20 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 0.00 0.00 0.00 143 A 8.84 4.85 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 0.00 144 C 8.49 4.90 0.00 2.47 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.82 4.40 2.07 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 0.80 0.00 0.00 0.96 0.00 0.00 146 L 8.52 5.14 0.00 1.60 1.79 0.80 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.44 3.96 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 0.72 0.00 0.00 1.09 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.