NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8779 8.2676 118.3542 52.4683 39.8993 173.1425 3 T 5.0332 7.8501 109.1141 59.2142 72.0915 171.7160 4 L 4.6847 9.5255 125.0250 54.0550 46.2831 175.7561 5 T 5.1051 8.6143 122.1821 61.7760 71.3529 173.7878 6 V 4.4097 8.7253 124.9932 60.9998 34.5340 174.5519 7 K 4.6575 8.8589 127.8498 56.4746 33.1276 176.2139 8 M 4.9349 8.8527 124.0576 53.7345 34.5691 174.7536 9 N 5.5066 8.8076 119.4710 51.0833 43.0452 173.7361 9A D 4.3703 9.2498 122.8030 54.7128 42.1790 175.1786 9B A 4.7138 8.6013 125.2668 50.5696 20.3755 176.3995 9C L 4.8032 8.4512 122.1314 52.5465 45.2396 178.0816 9D S 4.2633 8.6793 114.5921 60.9785 63.2784 175.5736 9E S 4.3693 8.2719 113.9181 58.3644 64.1333 174.9574 10 G 3.7560 6.4670 106.7370 45.8458 0.0000 171.2076 11 T 4.3575 8.1242 118.6686 63.5168 69.5434 174.5927 12 G 4.2390 8.6848 115.6267 45.2123 0.0000 173.1242 13 E 4.2778 8.6470 119.6509 56.4896 30.9159 176.0536 14 N 5.1593 8.9069 121.4484 52.5371 40.0762 174.5299 15 I 4.3995 8.6042 118.5469 61.2999 39.3866 174.0137 16 G 4.1173 7.8332 108.3833 44.5931 0.0000 172.9053 17 E 5.2497 8.5516 115.9057 55.0115 33.8113 174.2699 18 I 4.8836 8.7968 121.2887 59.9257 40.5349 174.6233 19 T 4.9150 8.9734 124.0806 61.9838 70.6944 173.5866 20 V 4.6648 9.1373 128.0102 61.1790 33.6527 174.7074 21 S 5.5642 8.6800 121.3077 55.4946 67.0507 172.6118 22 E 4.7959 8.6081 120.6732 55.6897 31.2712 175.6333 23 T 4.8917 8.5089 112.7078 58.9278 72.0375 173.0139 24 P 4.1910 0.0000 0.0000 64.4677 31.4837 176.8257 25 Y 4.5698 8.2907 115.2474 57.0119 39.1608 174.5509 26 G 4.3101 7.5344 106.7309 43.1737 0.0000 172.7913 27 L 4.5649 8.7242 120.2442 54.5695 42.7834 176.3155 28 L 5.0548 9.1573 126.1883 53.4506 44.4640 174.9777 29 F 4.9256 10.0243 126.5187 56.5961 40.5997 175.3396 30 T 4.7427 8.9914 123.4855 61.2325 69.4332 172.8679 31 P 4.6581 0.0000 0.0000 62.1147 32.7642 176.0641 32 H 5.0471 8.6280 116.3533 54.8799 28.9032 171.6059 33 L 5.6981 8.6237 120.3070 52.4309 46.0030 176.3786 34 N 5.1281 8.3405 116.6807 51.5604 40.8037 173.6769 35 G 3.9828 8.6519 104.4127 47.1198 0.0000 173.1473 36 L 4.5273 7.4388 116.9522 52.2566 45.0944 175.9733 37 T 4.2583 7.8144 114.7674 60.4907 67.9958 172.5994 38 P 4.7721 0.0000 0.0000 63.3220 32.3862 174.6562 39 G 3.7367 8.2345 105.8988 44.1661 0.0000 171.6584 40 I 4.9370 8.3526 119.7192 60.0648 39.4246 174.6229 41 H 5.3175 9.0906 124.2703 53.3917 31.9650 174.0375 42 G 4.0524 9.1815 110.1783 46.9267 0.0000 172.2901 43 F 5.5127 8.6057 125.5588 56.9903 42.4582 172.7998 44 H 4.7295 8.7077 122.4757 53.8805 33.9033 172.7358 45 V 4.3783 8.4281 121.0950 62.7340 32.4061 174.8177 46 H 5.1408 8.5734 124.5684 54.5672 30.3416 174.9384 47 T 4.0304 8.8591 118.0450 67.2481 68.6850 174.0856 48 N 4.6048 8.3947 118.8582 51.6565 39.3972 174.0961 49 P 4.7997 0.0000 0.0000 61.3759 30.8876 176.3496 50 S 4.6378 7.4650 112.0009 57.4994 66.0400 174.3425 51 C 4.8977 8.6103 121.7801 56.7255 41.4027 173.6702 52 M 4.6652 7.7799 120.7225 54.6169 32.6131 174.3194 53 P 4.8515 0.0000 0.0000 63.1987 32.6879 176.1132 53A G 4.4596 8.6039 108.8160 45.5010 0.0000 170.8009 53B M 5.6334 8.5341 120.5808 54.6966 35.0257 176.1386 53C K 4.3780 8.2762 126.4381 54.0331 35.6061 173.2629 53D D 4.4785 10.0123 126.1566 54.3726 37.8341 174.5418 53E G 4.0255 8.8299 105.4070 45.0780 0.0000 172.1306 53F K 4.6340 7.4652 117.5919 54.5070 36.2026 174.8336 53G E 4.6805 8.6435 120.2887 55.6138 30.5163 176.0410 53H V 4.2684 8.3858 125.8830 60.2589 33.2658 173.2032 54 P 4.4944 0.0000 0.0000 63.8556 32.5844 176.4070 55 A 4.8043 8.8219 124.3404 51.9804 16.5793 178.8690 56 L 4.0024 7.4038 123.3944 59.9844 42.1784 178.8599 57 M 4.2580 7.9744 116.0686 56.8159 31.9818 177.1565 58 A 4.6191 7.4314 121.8485 52.6660 19.0831 178.6200 59 G 3.8946 7.9722 103.6071 44.6756 0.0000 172.0427 60 G 4.0373 8.1050 106.4009 45.1484 0.0000 172.6783 61 H 4.4908 8.3420 116.9198 55.1463 29.5248 175.2384 62 L 3.7342 8.7981 125.5380 55.8992 43.2031 175.6816 63 D 5.0036 8.4100 125.8883 51.2492 41.5543 173.2467 64 P 4.2573 0.0000 0.0000 65.3356 31.6959 177.7102 65 E 4.3217 8.1163 114.4617 57.2352 29.8840 176.9938 66 K 4.0442 7.6707 115.6145 57.7136 30.2011 175.9714 67 T 3.8412 8.1837 112.1124 64.3831 69.1757 176.0796 68 G 3.9361 9.0233 108.4938 44.9166 0.0000 172.8204 68A K 4.4842 7.7754 118.4383 54.4694 35.2554 175.2214 69 H 4.7083 8.8387 124.0263 55.1386 28.6043 174.8927 70 L 4.8702 7.8410 123.9175 53.1160 42.6582 176.9475 71 G 3.3160 7.8530 105.2415 43.6721 0.0000 171.8427 72 P 4.2857 0.0000 0.0000 63.1636 31.4122 176.3069 73 Y 4.7642 7.0646 114.8441 57.6141 39.0536 174.3382 74 N 4.8974 7.7610 119.0757 51.7130 40.3195 174.1240 75 D 4.5133 8.7378 125.1891 56.0730 41.2352 176.8701 76 K 4.4758 8.1869 118.5605 55.9586 32.2842 176.5492 77 G 3.9730 7.3566 108.1543 44.4831 0.0000 171.4232 78 H 4.1201 8.1748 117.5212 56.1123 28.8044 176.2535 79 L 3.8573 8.6798 127.2099 57.7776 42.2327 177.7941 80 G 3.6484 8.2862 106.1982 46.1344 0.0000 172.5654 81 D 4.7723 8.2249 121.8075 54.3274 41.3627 176.0774 82 L 4.2664 7.6653 123.3519 52.2070 43.8565 174.9782 83 P 4.4537 0.0000 0.0000 62.1036 32.1462 177.0400 84 G 3.9144 8.8211 110.0389 46.6392 0.0000 173.0345 85 L 4.2216 9.1317 127.0250 54.6665 43.3631 175.6601 86 V 4.2768 8.4298 126.6382 61.8191 32.6040 174.8454 87 V 4.4008 8.6543 129.1115 61.1206 33.5081 176.0100 88 N 4.8009 9.1267 126.5988 53.0942 39.1940 175.1155 89 A 4.1398 8.4770 120.5213 54.5444 18.8125 178.0176 90 D 4.7035 8.0873 114.2512 53.0606 39.7646 177.6524 91 G 3.9062 8.1623 106.9157 46.2266 0.0000 174.0042 92 T 4.6615 7.8454 116.4211 62.2111 70.1072 173.8029 93 A 5.0734 8.7053 126.0336 50.8620 21.0317 177.0088 94 T 5.3068 8.4015 109.8037 60.6462 70.8943 173.7212 95 Y 4.0591 8.1942 123.2054 57.1071 38.9402 173.7408 96 P 4.6295 0.0000 0.0000 62.6126 32.4611 175.7502 97 L 4.8708 9.0884 123.2718 52.8992 44.9363 175.0231 98 L 5.0355 8.8499 125.6565 53.6964 43.8168 175.9278 99 A 4.8289 9.1652 129.7354 49.1558 18.8577 174.9387 100 P 4.9702 0.0000 0.0000 65.1365 31.5453 178.5168 101 R 4.2410 7.8943 115.6638 56.4479 30.7080 175.9236 102 L 4.5854 7.7780 119.1876 52.8919 43.3893 177.4537 93 K 5.0734 8.7553 122.6336 54.5620 35.0317 175.8088 94 S 5.4268 8.5615 111.9037 57.1462 64.8943 173.6212 95 L 3.8491 8.2342 124.7054 54.3071 43.5402 175.4408 96 S 4.6795 8.6021 122.4020 57.6126 64.1611 173.0502 97 E 4.8808 9.3484 121.6717 54.3992 32.4363 174.0231 98 L 5.0355 8.8499 125.6565 53.6964 43.8168 175.9278 99 K 4.8289 9.2152 126.3354 52.8558 32.8577 173.7387 100 G 4.5102 8.5822 107.6298 46.9365 0.0000 176.1167 101 H 4.6310 8.0843 113.3638 55.4479 28.8080 173.7236 102 S 4.7154 7.9280 113.0875 56.0919 64.7893 174.4537 115 L 4.8698 8.9642 121.3010 53.3602 44.0468 175.2651 116 M 5.1633 9.2462 123.0906 53.7397 35.8106 174.1712 117 I 4.9255 8.6634 125.7202 60.1018 40.0962 175.2355 118 H 5.1936 9.1193 125.0342 54.7888 29.7802 176.0100 119 K 4.1046 9.1592 119.6144 59.2008 32.7686 178.1149 120 G 3.9265 8.0285 107.7083 44.0602 0.0000 173.0838 121 G 4.2952 8.1685 111.7300 45.1645 0.0000 172.8433 122 D 5.0879 8.5297 120.1284 54.8935 42.1810 175.3671 123 N 4.3975 8.6657 123.1827 52.0370 37.7838 174.6007 124 Y 4.0193 8.6523 115.3454 59.0400 36.2166 169.3322 125 S 4.8987 7.4880 111.2127 57.2668 65.7369 174.1382 *130 D 4.8257 8.5885 124.1516 54.1056 42.3301 176.4003 131 K 4.7277 7.5644 121.0107 51.7921 34.9629 179.9085 132 P 4.3871 0.0000 0.0000 63.8644 31.8174 176.2996 133 A 4.7402 7.5778 121.1864 49.0942 20.9524 174.5435 134 P 4.4052 0.0000 0.0000 63.7562 32.5785 176.0006 135 L 3.2608 9.7609 118.5967 56.4283 39.5549 176.1691 136 G 4.4436 9.3889 104.3285 45.9715 0.0000 174.3727 137 G 4.0308 8.1942 107.4623 46.2395 0.0000 176.5315 138 G 3.5588 8.2427 111.3734 45.8863 0.0000 175.5175 139 G 4.0950 7.9734 107.9068 45.8817 0.0000 173.6651 140 A 4.2754 8.4572 125.1920 52.2933 19.9615 176.4694 141 R 4.4891 8.4427 118.4230 55.3852 30.8811 176.1097 142 F 4.5669 9.4161 126.8903 59.7332 41.0704 175.3035 143 A 5.1535 7.8647 118.1662 50.6681 23.0044 175.2224 144 C 5.3468 9.1660 118.5948 55.5877 47.2479 173.0635 145 G 4.6471 8.8641 109.5377 44.9151 0.0000 172.4662 146 V 4.7042 8.1793 123.2704 61.8770 34.3620 175.4420 147 I 4.1040 8.5807 123.5312 61.7336 39.3873 175.7481 148 E 4.1300 8.8130 122.4157 56.2519 29.5343 172.4375 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 N 8.27 4.88 0.00 2.76 3.12 0.00 0.00 5.65 6.34 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 3 T 7.85 5.03 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 1.20 0.00 0.00 4 L 9.53 4.68 0.00 1.70 1.43 0.91 0.76 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 5 T 8.61 5.11 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 1.28 0.00 0.00 6 V 8.73 4.41 2.19 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 1.18 0.00 0.00 1.01 0.00 0.00 7 K 8.86 4.66 0.00 1.70 1.74 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.49 7.81 8 M 8.85 4.93 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 9 N 8.81 5.51 0.00 2.58 2.78 0.00 0.00 6.79 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9A D 9.25 4.37 0.00 2.37 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 0.00 0.00 0.00 9B A 8.60 4.71 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 9C L 8.45 4.80 0.00 1.68 1.51 0.87 0.35 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 9D S 8.68 4.26 0.00 3.97 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 9E S 8.27 4.37 0.00 3.99 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 10 G 6.47 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 0.00 0.00 0.00 11 T 8.12 4.36 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 1.18 0.00 0.00 12 G 8.68 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 13 E 8.65 4.28 0.00 1.88 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 2.39 2.26 0.00 14 N 8.91 5.16 0.00 2.72 2.71 0.00 0.00 7.13 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 15 I 8.60 4.40 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.99 0.00 0.00 16 G 7.83 4.12 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 0.00 0.00 0.00 17 E 8.55 5.25 0.00 2.00 2.04 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 2.24 2.41 0.00 18 I 8.80 4.88 2.02 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 1.22 0.79 1.14 0.00 0.00 19 T 8.97 4.91 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 1.27 0.00 0.00 20 V 9.14 4.66 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 0.39 0.00 0.00 0.66 0.00 0.00 21 S 8.68 5.56 0.00 3.83 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 22 E 8.61 4.80 0.00 1.91 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 2.31 2.26 0.00 23 T 8.51 4.89 4.37 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 0.00 0.00 0.00 1.29 0.00 0.00 24 P 0.00 4.19 0.00 1.00 1.74 0.00 3.57 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 1.87 1.96 0.00 25 Y 8.29 4.57 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 26 G 7.53 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 0.00 0.00 0.00 0.00 27 L 8.72 4.56 0.00 1.75 1.54 0.84 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 28 L 9.16 5.05 0.00 1.73 1.60 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 F 10.02 4.93 0.00 3.20 3.23 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 30 T 8.99 4.74 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 1.20 0.00 0.00 31 P 0.00 4.66 0.00 1.99 1.91 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 32 H 8.63 5.05 0.00 3.13 3.19 0.00 5.57 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 33 L 8.62 5.70 0.00 1.57 1.65 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.34 5.13 0.00 2.66 2.78 0.00 0.00 5.97 7.00 0.00 0.00 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 G 8.65 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 36 L 7.44 4.53 0.00 1.50 1.27 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.81 4.26 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 1.16 0.00 0.00 38 P 0.00 4.77 0.00 2.04 2.07 0.00 3.72 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 39 G 8.23 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 40 I 8.35 4.94 1.81 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 1.30 0.93 0.90 0.00 0.00 41 H 9.09 5.32 0.00 3.05 3.29 0.00 5.82 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 42 G 9.18 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 43 F 8.61 5.51 0.00 2.96 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 44 H 8.71 4.73 0.00 2.91 2.97 0.00 5.85 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 45 V 8.43 4.38 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 0.96 0.00 0.00 0.78 0.00 0.00 46 H 8.57 5.14 0.00 3.03 3.38 0.00 5.79 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 47 T 8.86 4.03 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 1.24 0.00 0.00 48 N 8.39 4.60 0.00 2.77 2.76 0.00 0.00 7.22 8.87 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 49 P 0.00 4.80 0.00 2.04 2.03 0.00 3.69 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 2.01 2.30 0.00 50 S 7.47 4.64 0.00 3.80 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 51 C 8.61 4.90 0.00 2.97 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 52 M 7.78 4.67 0.00 1.97 1.98 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 2.62 2.63 0.00 53 P 0.00 4.85 0.00 2.13 2.23 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 53A G 8.60 4.46 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 0.00 0.00 0.00 53B M 8.53 5.63 0.00 1.93 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 53C K 8.28 4.38 0.00 1.65 1.60 0.00 1.99 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.33 1.02 7.81 53D D 10.01 4.48 0.00 2.77 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 53E G 8.83 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 53F K 7.47 4.63 0.00 1.67 1.65 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 53G E 8.64 4.68 0.00 1.85 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 2.27 2.24 0.00 53H V 8.39 4.27 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 0.98 0.00 0.00 0.94 0.00 0.00 54 P 0.00 4.49 0.00 2.09 1.98 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 55 A 8.82 4.80 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 56 L 7.40 4.00 0.00 1.74 1.79 0.94 0.97 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 57 M 7.97 4.26 0.00 2.07 2.23 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 2.64 2.88 0.00 58 A 7.43 4.62 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 0.00 0.00 59 G 7.97 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 60 G 8.10 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 0.00 0.00 0.00 61 H 8.34 4.49 0.00 2.55 2.99 0.00 5.75 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 62 L 8.80 3.73 0.00 1.67 1.50 0.72 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.41 5.00 0.00 2.85 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 0.00 0.00 0.00 0.00 64 P 0.00 4.26 0.00 2.07 2.12 0.00 3.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 65 E 8.12 4.32 0.00 1.95 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 2.28 2.26 0.00 66 K 7.67 4.04 0.00 1.85 1.94 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.51 7.81 67 T 8.18 3.84 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 1.19 0.00 0.00 68 G 9.02 3.94 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 0.00 0.00 0.00 68A K 7.78 4.48 0.00 1.74 1.61 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.48 7.81 69 H 8.84 4.71 0.00 3.29 3.40 0.00 5.73 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.84 4.87 0.00 1.56 1.60 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.85 3.32 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 0.00 72 P 0.00 4.29 0.00 1.57 1.68 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.94 0.00 73 Y 7.06 4.76 0.00 2.93 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 74 N 7.76 4.90 0.00 2.69 2.62 0.00 0.00 7.12 8.47 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 75 D 8.74 4.51 0.00 2.71 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 76 K 8.19 4.48 0.00 1.92 1.80 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.41 1.36 7.81 77 G 7.36 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 78 H 8.17 4.12 0.00 3.65 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.68 3.86 0.00 1.56 1.68 0.91 1.10 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 80 G 8.29 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 0.00 0.00 0.00 81 D 8.22 4.77 0.00 2.64 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 82 L 7.67 4.27 0.00 1.29 1.25 0.67 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.45 0.00 2.10 2.16 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.98 0.00 84 G 8.82 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 0.00 0.00 0.00 85 L 9.13 4.22 0.00 1.37 1.57 0.55 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.43 4.28 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 0.64 0.00 0.00 0.82 0.00 0.00 87 V 8.65 4.40 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 1.01 0.00 0.00 0.82 0.00 0.00 88 N 9.13 4.80 0.00 2.91 2.77 0.00 0.00 6.46 6.96 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 89 A 8.48 4.14 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 90 D 8.09 4.70 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 91 G 8.16 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 0.00 0.00 0.00 92 T 7.85 4.66 4.33 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 1.33 0.00 0.00 93 A 8.71 5.07 1.17 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 0.00 0.00 94 T 8.40 5.31 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 95 Y 8.19 4.06 0.00 2.90 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 96 P 0.00 4.63 0.00 1.77 1.90 0.00 3.13 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 1.90 2.04 0.00 97 L 9.09 4.87 0.00 1.78 1.72 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.85 5.04 0.00 1.70 1.66 1.17 1.06 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 99 A 9.17 4.83 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 0.00 100 P 0.00 4.97 0.00 2.29 2.33 0.00 3.55 0.00 0.00 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 101 R 7.89 4.24 0.00 1.82 2.02 0.00 3.21 0.00 0.00 3.12 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 102 L 7.78 4.59 0.00 1.87 1.64 1.01 1.01 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 93 K 8.76 5.07 0.00 1.51 1.46 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.33 7.81 94 S 8.56 5.43 0.00 3.96 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 95 L 8.23 3.85 0.00 1.49 1.60 0.92 0.94 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 96 S 8.60 4.68 0.00 3.37 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 97 E 9.35 4.88 0.00 2.22 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 2.20 2.21 0.00 98 L 8.85 5.04 0.00 1.70 1.66 1.17 1.06 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 99 K 9.22 4.83 0.00 1.86 1.57 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.34 7.81 100 G 8.58 4.51 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 0.00 101 H 8.08 4.63 0.00 3.25 3.42 0.00 8.59 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.93 4.72 0.00 4.14 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 0.00 115 L 8.96 4.87 0.00 1.74 1.81 1.23 0.89 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 0.00 116 M 9.25 5.16 0.00 2.00 1.63 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 117 I 8.66 4.93 2.00 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 1.28 0.78 0.94 0.00 0.00 118 H 9.12 5.19 0.00 3.10 3.61 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.16 4.10 0.00 1.70 1.88 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.58 7.81 120 G 8.03 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 0.00 121 G 8.17 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 0.00 0.00 0.00 0.00 122 D 8.53 5.09 0.00 2.68 2.56 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 0.00 0.00 0.00 0.00 123 N 8.67 4.40 0.00 2.79 2.89 0.00 0.00 6.22 7.57 0.00 0.00 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 Y 8.65 4.02 0.00 3.19 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 0.00 125 S 7.49 4.90 0.00 3.93 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 *130 D 8.59 4.83 0.00 2.74 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 0.00 131 K 7.56 4.73 0.00 1.68 1.52 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.20 7.81 132 P 0.00 4.39 0.00 2.16 2.20 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 133 A 7.58 4.74 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 0.00 134 P 0.00 4.41 0.00 2.17 2.06 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 135 L 9.76 3.26 0.00 1.79 1.57 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 136 G 9.39 4.44 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 0.00 137 G 8.19 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 0.00 138 G 8.24 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.97 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 0.00 140 A 8.46 4.28 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 0.00 141 R 8.44 4.49 0.00 1.84 1.82 0.00 3.38 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 142 F 9.42 4.57 0.00 3.18 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 0.00 143 A 7.86 5.15 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 0.00 144 C 9.17 5.35 0.00 2.94 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 0.00 145 G 8.86 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 0.00 146 V 8.18 4.70 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 0.95 0.00 0.00 0.96 0.00 0.00 147 I 8.58 4.10 2.04 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 1.25 0.53 0.93 0.00 0.00 148 E 8.81 4.13 0.00 2.10 1.75 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 2.14 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.