NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.3859 8.3301 115.2963 57.8958 62.8594 173.8184 23 A 4.1036 8.2771 130.0185 50.2573 20.4115 175.7816 24 L 3.8554 8.2283 123.4088 58.7104 42.6740 177.6795 25 H 4.0884 7.9712 114.3563 58.5188 28.1881 177.3572 26 W 4.6217 7.3839 121.0410 59.6158 29.0404 178.6402 27 R 3.9662 8.0532 117.6262 59.0698 29.4997 178.9420 28 A 3.9342 8.4648 120.8167 55.0524 18.5154 179.3553 29 A 4.0394 8.1344 119.4448 55.4402 18.4660 180.1947 30 G 3.5049 8.2964 103.8518 47.8980 0.0000 175.8596 31 A 4.0046 8.6594 123.4875 54.7789 18.2817 179.6190 32 A 3.9149 8.5070 119.7978 55.3321 18.3015 180.1243 33 T 3.6634 7.6007 113.9005 66.7836 68.5976 177.0681 34 V 3.5273 7.6243 120.0992 65.8796 31.4394 177.7444 35 L 3.9067 8.0147 120.0529 58.0754 41.8608 178.6824 36 L 3.8814 8.1816 120.6606 58.1312 41.9972 179.0043 37 V 3.5652 7.9607 118.3171 66.0684 31.4113 178.1423 38 I 3.6801 7.7085 119.4910 64.3189 36.9896 178.4378 39 V 3.6200 8.0703 119.4375 65.9687 31.2168 177.8888 40 L 3.9476 8.1613 118.7924 57.8658 41.6196 179.4354 41 L 4.0186 7.8990 118.3394 57.9084 41.6541 179.4361 42 A 4.1807 8.5811 121.0562 55.2666 18.2485 179.8115 43 G 3.8355 8.8121 104.4827 48.1470 0.0000 175.9677 44 S 4.4574 8.6775 117.9178 61.6612 63.0545 176.3018 45 Y 4.3648 8.1869 121.8400 60.9470 38.6500 177.8997 46 L 4.0216 8.7643 120.1447 57.5738 41.6742 179.4364 47 A 3.9318 8.4820 121.1880 55.0862 18.2487 179.8319 48 V 3.6382 7.4054 117.8305 65.5601 31.3586 178.0450 49 L 3.7852 7.4696 118.2434 57.8626 41.9075 178.3502 50 A 4.2394 7.8094 120.0069 54.5658 18.9273 178.8763 51 E 4.1352 8.5851 117.2841 57.6788 29.8362 177.5910 52 R 4.1118 7.4634 118.3832 57.3219 30.3947 176.7035 53 G 3.8991 8.9106 109.5123 45.1135 0.0000 173.0706 54 A 4.5382 8.0487 123.7693 49.3388 19.8759 174.4127 55 P 4.2792 0.0000 0.0000 65.0594 31.6652 177.2981 56 G 3.8897 8.9315 111.0495 45.0314 0.0000 173.4991 57 A 4.0591 7.7188 122.7879 52.3750 18.7562 177.4400 58 Q 4.4070 8.2535 118.0169 55.5262 31.1938 175.9203 59 L 4.2344 7.3680 122.5849 54.5105 41.1549 176.7157 60 I 4.3366 7.3040 108.8742 60.5800 38.8920 176.1945 61 T 4.3620 7.1891 111.0086 59.4313 72.9150 174.1639 62 Y 4.2759 7.8473 120.8443 60.8818 38.0738 176.7762 63 P 4.3909 0.0000 0.0000 65.9286 31.5373 178.7666 64 R 4.3094 8.1283 113.6255 58.8369 29.5832 178.3870 65 A 4.2110 8.0595 121.7961 55.0762 18.4106 179.2801 66 L 4.6400 8.6402 120.6853 57.7447 42.2044 179.0467 67 W 4.4905 8.3115 128.0154 60.1850 30.6484 177.7864 68 W 4.3609 9.2387 130.4508 59.9205 30.1069 178.1776 69 S 3.0934 8.5504 114.6397 61.0992 62.2837 176.6495 70 V 3.4907 7.7597 122.1232 65.3149 31.1626 177.3049 71 E 3.7223 7.4818 116.0956 57.9492 29.5093 178.6426 72 T 3.7195 6.9762 116.9695 65.9645 68.8357 176.7781 73 A 4.0883 8.0403 123.2789 54.7692 18.1681 179.0910 74 T 3.9524 7.4310 106.7864 61.4659 69.7057 175.3494 75 T 3.3040 7.2877 111.4375 62.2278 68.0422 174.2205 76 V 3.2947 7.1401 124.0215 63.5271 31.3866 175.8180 77 G 3.8275 6.8987 107.4016 46.4450 0.0000 172.2625 78 Y 4.6610 7.8171 117.5741 58.2992 39.3969 177.4785 79 G 4.1090 8.4864 106.2719 46.0610 0.0000 173.7526 80 D 4.7654 8.2898 118.8280 54.0776 40.3333 176.5431 81 L 4.5151 7.7612 119.0945 53.6378 45.7235 174.2761 82 Y 4.9087 7.2442 118.9027 55.2195 40.3110 172.4541 83 P 4.4733 0.0000 0.0000 62.9645 32.1254 176.5210 84 V 4.3468 9.3002 112.5266 61.2572 33.7263 176.6822 85 T 4.4693 8.0806 111.1719 60.0047 71.7414 175.4868 86 L 3.7918 8.0694 122.5011 58.1161 42.1263 179.0101 87 W 4.3490 7.9527 118.5633 59.3439 29.0907 178.7528 88 G 3.6342 8.1639 105.7035 47.9161 0.0000 176.0117 89 R 4.0752 8.0675 120.8158 59.1030 29.9227 178.9248 90 C 4.1834 8.2827 116.6812 62.9122 28.1697 176.3437 91 V 3.7494 8.5336 119.9722 66.0348 31.1197 177.8325 92 A 4.2941 8.7718 120.9161 55.2980 18.1438 179.8515 93 V 3.5588 8.0734 116.7739 66.0863 31.6209 178.3807 94 V 3.5934 7.6798 117.9835 66.0311 31.2616 178.2574 95 V 3.5415 7.8343 117.9013 66.1512 31.3953 177.6131 96 M 4.0804 8.0555 118.4538 58.6726 31.7979 178.8682 97 V 3.5830 8.0867 117.9004 65.9890 31.6818 177.9107 98 A 4.0635 8.2384 120.6183 55.0405 18.2318 179.8461 99 G 3.8617 8.3108 105.8041 47.6687 0.0000 175.8779 100 I 3.8184 8.2748 123.5119 64.2225 37.0924 178.7260 101 T 3.8912 8.1705 116.5296 66.7225 68.3030 176.9100 102 S 4.0274 8.1669 116.9979 61.7740 62.7664 176.9476 103 F 4.3216 8.3222 120.2945 60.1632 38.5723 177.9152 104 G 3.6769 8.0475 105.2483 47.2717 0.0000 175.7276 105 L 3.9876 8.0661 122.8221 57.9469 42.0904 179.2247 106 V 3.6036 7.8143 118.3624 66.1526 31.4357 178.0633 107 T 3.8755 7.7019 115.4630 66.7448 68.3193 176.4240 108 A 3.9571 8.0208 122.3117 55.0268 18.2204 179.5396 109 A 3.6832 8.0275 119.3153 54.8167 18.2918 179.7567 110 L 3.9375 7.8398 117.4910 57.3964 41.6240 179.3777 111 A 3.9537 7.7447 121.0464 55.3940 18.3219 179.8051 112 T 3.7069 7.6860 114.3308 66.2443 68.3759 176.6824 113 W 4.2575 7.6766 130.3637 60.7053 30.7334 177.9521 114 F 4.2948 8.3362 117.9283 60.8018 38.2914 178.0196 115 V 3.7561 8.4145 118.3501 65.7715 31.1829 178.4470 116 G 3.6003 8.1250 105.6517 47.8323 0.0000 175.6646 117 R 4.2377 8.0390 122.1931 57.8339 29.8375 178.0709 118 E 3.9300 7.7417 118.8249 59.0999 29.7965 178.0627 119 Q 4.1289 7.9615 119.5043 58.9812 29.1689 178.1395 120 E 3.9502 7.8463 119.8435 59.2808 29.3925 178.9391 121 R 4.1756 7.7011 114.1961 57.6079 30.0086 176.5468 122 R 4.3943 7.6181 113.5605 55.9301 31.1977 175.8304 123 G 4.0188 8.4155 116.9742 46.3276 0.0000 174.5670 *124 H 4.6139 7.1345 121.1351 53.8822 28.8174 175.4176 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 22 S 8.33 4.39 0.00 3.86 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 23 A 8.28 4.10 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 24 L 8.23 3.86 0.00 1.74 1.65 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.97 4.09 0.00 3.00 3.30 0.00 5.70 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 26 W 7.38 4.62 0.00 3.39 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 27 R 8.05 3.97 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 28 A 8.46 3.93 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 29 A 8.13 4.04 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 30 G 8.30 3.50 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 0.00 0.00 0.00 31 A 8.66 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.51 3.91 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 33 T 7.60 3.66 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 1.14 0.00 0.00 34 V 7.62 3.53 2.05 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 0.97 0.00 0.00 0.90 0.00 0.00 35 L 8.01 3.91 0.00 1.97 1.73 0.91 0.39 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 36 L 8.18 3.88 0.00 1.73 1.73 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.96 3.57 2.23 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 0.97 0.00 0.00 0.96 0.00 0.00 38 I 7.71 3.68 2.02 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 1.39 0.52 0.91 0.00 0.00 39 V 8.07 3.62 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 0.84 0.00 0.00 0.98 0.00 0.00 40 L 8.16 3.95 0.00 1.91 1.73 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.90 4.02 0.00 1.89 1.73 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.58 4.18 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 43 G 8.81 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 0.00 0.00 0.00 44 S 8.68 4.46 0.00 4.24 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 0.00 45 Y 8.19 4.36 0.00 3.08 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 46 L 8.76 4.02 0.00 1.82 1.79 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.48 3.93 1.20 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 0.00 0.00 48 V 7.41 3.64 2.14 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 0.97 0.00 0.00 0.73 0.00 0.00 49 L 7.47 3.79 0.00 1.48 1.70 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.81 4.24 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 51 E 8.59 4.14 0.00 1.97 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 2.29 2.23 0.00 52 R 7.46 4.11 0.00 1.77 1.82 0.00 3.03 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 53 G 8.91 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.05 4.54 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 55 P 0.00 4.28 0.00 2.04 2.02 0.00 3.68 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 2.02 2.09 0.00 56 G 8.93 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 57 A 7.72 4.06 1.24 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 58 Q 8.25 4.41 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.53 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 59 L 7.37 4.23 0.00 1.35 1.24 0.53 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.30 4.34 1.74 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 1.36 0.73 0.80 0.00 0.00 61 T 7.19 4.36 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 1.12 0.00 0.00 62 Y 7.85 4.28 0.00 3.23 3.13 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 63 P 0.00 4.39 0.00 2.22 2.19 0.00 3.67 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 64 R 8.13 4.31 0.00 2.24 2.30 0.00 2.96 0.00 0.00 3.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 65 A 8.06 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.64 4.64 0.00 1.98 2.06 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.31 4.49 0.00 3.44 3.35 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 0.00 0.00 0.00 0.00 68 W 9.24 4.36 0.00 3.42 3.48 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 69 S 8.55 3.09 0.00 3.88 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 70 V 7.76 3.49 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 1.04 0.00 0.00 1.04 0.00 0.00 71 E 7.48 3.72 0.00 1.58 1.12 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 1.90 2.00 0.00 72 T 6.98 3.72 3.60 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 0.00 0.00 0.00 0.93 0.00 0.00 73 A 8.04 4.09 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 74 T 7.43 3.95 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 1.17 0.00 0.00 75 T 7.29 3.30 4.13 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 1.19 0.00 0.00 76 V 7.14 3.29 1.67 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 -0.35 0.00 0.00 0.49 0.00 0.00 77 G 6.90 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 78 Y 7.82 4.66 0.00 3.31 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 79 G 8.49 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 0.00 0.00 0.00 80 D 8.29 4.77 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 81 L 7.76 4.52 0.00 1.84 1.57 1.18 0.76 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 82 Y 7.24 4.91 0.00 3.10 3.05 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 83 P 0.00 4.47 0.00 2.19 1.88 0.00 4.01 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 84 V 9.30 4.35 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 0.78 0.00 0.00 0.96 0.00 0.00 85 T 8.08 4.47 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 1.26 0.00 0.00 86 L 8.07 3.79 0.00 1.57 1.39 0.63 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.95 4.35 0.00 3.47 3.24 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 88 G 8.16 3.63 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 0.00 0.00 0.00 89 R 8.07 4.08 0.00 2.07 2.01 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 90 C 8.28 4.18 0.00 3.39 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 91 V 8.53 3.75 2.49 0.00 0.00 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 1.21 0.00 0.00 92 A 8.77 4.29 1.69 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 0.00 0.00 93 V 8.07 3.56 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 1.09 0.00 0.00 0.98 0.00 0.00 94 V 7.68 3.59 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 0.98 0.00 0.00 1.04 0.00 0.00 95 V 7.83 3.54 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 0.80 0.00 0.00 0.97 0.00 0.00 96 M 8.06 4.08 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.50 0.00 97 V 8.09 3.58 2.14 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 1.09 0.00 0.00 0.97 0.00 0.00 98 A 8.24 4.06 1.38 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 0.00 0.00 99 G 8.31 3.86 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 0.00 0.00 0.00 100 I 8.27 3.82 1.88 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 1.51 1.03 0.92 0.00 0.00 101 T 8.17 3.89 4.48 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 1.20 0.00 0.00 102 S 8.17 4.03 0.00 3.73 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 0.00 103 F 8.32 4.32 0.00 3.16 3.05 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 0.00 104 G 8.05 3.68 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 0.00 0.00 0.00 105 L 8.07 3.99 0.00 1.80 1.83 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.81 3.60 2.29 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 1.05 0.00 0.00 0.95 0.00 0.00 107 T 7.70 3.88 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 108 A 8.02 3.96 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 0.00 109 A 8.03 3.68 1.18 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 0.00 110 L 7.84 3.94 0.00 1.77 1.30 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.74 3.95 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.69 3.71 3.62 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 0.00 0.00 0.00 0.86 0.00 0.00 113 W 7.68 4.26 0.00 3.28 3.27 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 0.00 114 F 8.34 4.29 0.00 3.17 2.89 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 V 8.41 3.76 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 1.02 0.00 0.00 0.97 0.00 0.00 116 G 8.13 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.04 4.24 0.00 1.77 1.76 0.00 3.18 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 118 E 7.74 3.93 0.00 1.95 2.14 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 2.30 2.34 0.00 119 Q 7.96 4.13 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 120 E 7.85 3.95 0.00 2.23 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 2.35 2.50 0.00 121 R 7.70 4.18 0.00 1.85 2.08 0.00 3.14 0.00 0.00 3.30 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 122 R 7.62 4.39 0.00 1.82 1.80 0.00 3.21 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 123 G 8.42 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 H 7.13 4.61 0.00 2.96 3.12 0.00 5.87 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 * Residues marked with a * may have inaccurate shift predictions.