NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5553 8.1633 120.2795 55.2193 33.8950 174.5282 2 D 4.8509 8.7189 122.8022 52.2301 42.2032 170.6768 3 V 4.5065 9.4305 122.1186 59.8516 35.5535 173.9997 4 F 4.9654 8.9791 121.1757 55.8442 41.5517 174.6312 5 L 5.2175 9.2762 123.3652 53.2097 45.8793 175.5796 6 M 4.6099 8.6043 119.5551 53.7119 34.0623 172.8753 7 I 4.3677 8.9484 126.4122 60.6764 38.6184 175.0476 8 R 5.0570 9.3890 127.4785 54.4098 33.6099 175.2035 9 R 4.4140 9.1033 122.7960 57.0061 33.5088 174.5918 10 H 3.7921 10.2344 119.2199 58.1171 26.0055 174.2104 11 K 3.9608 8.1282 115.3394 57.1293 30.8090 174.9087 12 T 4.6540 7.6660 115.6749 62.1530 70.4741 173.5789 13 T 4.8393 8.2364 119.0050 61.3743 70.4556 172.3879 14 I 4.5063 8.8769 130.7004 59.7878 39.5176 174.5672 15 F 5.1216 8.8503 125.5929 56.3533 40.4485 174.9047 16 T 4.7950 8.7118 117.7086 61.2568 71.5395 171.1617 17 D 5.2135 8.0809 122.4759 51.6177 43.0660 173.8663 18 A 4.3066 7.7513 118.6003 51.2378 23.4293 175.7220 19 K 4.5402 8.1257 118.1583 55.8575 33.3294 178.6701 20 E 3.9579 9.3101 124.5965 58.9545 29.7339 178.6210 21 S 4.5396 7.8790 110.9040 58.6882 64.0042 174.2940 22 S 4.3638 7.9732 117.1925 58.6754 63.0697 172.7715 23 T 5.0651 9.4270 115.4548 59.6698 71.0465 175.6642 24 V 3.5781 8.8068 123.0261 66.4576 31.4483 178.3476 25 F 4.0731 8.2720 120.0953 61.3653 39.3238 177.0375 26 E 3.8630 8.1568 117.8460 58.9756 29.1677 179.1295 27 L 3.8847 7.6109 120.3173 57.9467 42.2445 178.9009 28 K 4.2493 7.5178 119.3179 58.6484 31.8326 179.5643 29 R 3.7031 7.3254 118.2247 59.3726 29.9070 178.9852 30 I 3.6646 7.4846 119.3158 64.4970 36.9810 178.7087 31 V 3.5911 7.7638 119.0286 65.6886 31.3218 177.6291 32 E 4.4141 7.7041 120.6716 58.8011 29.2816 178.9593 33 G 3.6944 7.7854 104.2379 48.2454 0.0000 175.1883 34 I 4.0293 7.2881 121.3874 63.4628 37.3873 176.7756 35 L 4.3904 8.3826 118.3336 53.9525 41.8439 177.8499 36 K 4.2461 7.8714 114.4676 55.4945 28.9404 173.1968 37 R 4.3624 7.2829 116.8604 54.0971 34.6411 173.2883 38 P 5.1851 0.0000 0.0000 61.4116 32.3754 175.3393 39 P 4.2268 0.0000 0.0000 65.9192 31.3198 178.3157 40 D 4.5281 8.1827 115.1836 55.5973 39.1908 176.5252 41 E 4.5124 8.7091 119.4582 56.1476 30.0228 175.0436 42 Q 5.1827 8.2250 117.8388 54.4122 32.3103 174.5457 43 R 4.7154 8.9667 119.6331 54.4384 33.8453 174.3481 44 L 5.2371 8.3696 122.7614 53.3348 44.5103 175.2698 45 Y 5.0289 9.1407 120.8752 56.3210 41.8456 175.0937 46 K 4.7555 8.5188 120.7120 54.9947 33.7886 175.3900 47 D 4.6434 9.0395 129.7497 55.3448 37.8492 173.9875 48 D 4.5561 8.3616 111.5432 55.1967 38.5156 174.4752 49 Q 4.4453 7.6942 120.5030 53.6442 30.1599 174.1592 50 L 3.7329 8.4495 127.8087 55.2978 42.6310 176.0004 51 L 4.7317 8.0171 125.6010 53.3071 43.9493 175.7687 52 D 4.6749 8.4431 122.0434 53.5057 42.0038 177.4571 53 D 4.5728 9.1491 123.1303 57.2205 41.0857 178.5508 54 G 3.8446 7.9400 105.8378 46.5008 0.0000 174.1587 55 K 4.4177 7.9134 120.9662 56.2472 32.9601 176.8359 56 T 4.6755 9.7669 114.6596 61.3153 71.1878 176.1055 57 L 4.3291 8.8931 123.2479 57.8900 41.6011 179.9758 58 G 3.8754 8.8241 106.2962 47.5981 0.0000 175.4402 59 E 4.0209 8.1436 120.3287 59.0146 29.5977 178.7508 60 C 4.3875 7.9126 113.4258 60.4144 28.1795 174.5082 61 G 3.6175 8.0509 109.6282 44.9070 0.0000 173.8268 62 F 4.5186 8.0199 119.9736 56.3146 38.6256 174.9600 63 T 5.0373 7.9022 114.4124 58.1883 71.7451 175.2267 64 S 4.1108 8.8000 116.8708 61.3952 62.8292 175.5184 65 Q 4.5200 7.5463 116.9767 56.1647 28.6520 176.2686 66 T 4.5142 7.7790 113.2590 63.2959 71.6321 174.1248 67 A 4.9057 8.7864 125.2438 50.3388 18.4950 175.0023 68 R 4.8555 7.6842 120.9351 53.4596 32.4118 176.0833 69 P 3.8287 0.0000 0.0000 65.9221 31.2050 178.1062 70 Q 4.1148 7.8667 113.7051 57.9435 29.2129 176.8302 71 A 4.7908 7.8471 120.6107 49.9345 20.0558 173.8103 72 P 4.8440 0.0000 0.0000 62.2504 32.7600 177.5848 73 A 4.4659 9.0392 123.5328 52.3483 19.9980 176.3887 74 T 5.0039 8.4945 116.4800 62.0443 70.6083 174.4327 75 V 4.5739 8.3779 125.4929 60.8980 34.4015 175.0950 76 G 4.0083 8.9363 115.4962 46.1170 0.0000 172.0969 77 L 5.4945 8.4370 123.4712 52.9992 45.5944 175.6554 78 A 4.6694 8.5793 125.2252 50.8315 22.7243 175.7169 79 F 5.7767 8.8537 124.1591 57.2832 42.6050 171.8340 80 R 4.0195 8.9482 124.6631 56.0086 29.8229 173.7545 81 A 4.4244 8.5294 125.7345 52.2523 17.8957 177.7328 82 D 4.5946 8.8107 115.3083 55.3241 40.7257 173.2464 83 D 4.6783 7.8622 120.9284 54.5825 39.3210 183.2234 84 T 3.3893 7.8589 115.5856 62.0490 65.3786 173.2562 *85 F 4.7963 7.9208 126.5231 56.2948 39.0706 174.7907 86 E 4.3077 8.4535 121.2051 55.7256 30.2823 176.4863 87 A 4.3146 8.3802 122.2123 51.0196 19.7327 177.3037 88 L 3.6615 8.2753 122.7851 55.4064 42.4842 175.9547 89 C 4.6819 8.5183 125.6852 57.6287 34.7724 172.2565 90 I 4.6166 8.1749 126.7298 59.1877 39.1500 175.2315 91 E 4.1459 8.7038 128.0078 55.3115 29.7222 175.6636 92 P 4.1643 0.0000 0.0000 62.2912 32.2294 175.8207 93 F 4.8909 8.0247 117.8104 56.4118 39.7466 175.6160 94 S 4.3641 8.6085 117.3114 58.9333 63.1229 173.4929 95 S 4.8186 8.1892 116.3232 55.6724 64.6420 172.9560 96 P 4.5778 0.0000 0.0000 61.9353 32.6905 176.7519 97 P 4.7396 0.0000 0.0000 60.9906 30.5713 175.9874 98 E 4.0524 8.9350 117.9265 56.4645 30.4150 173.5071 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 M 8.16 4.56 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 2 D 8.72 4.85 0.00 2.58 2.10 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 3 V 9.43 4.51 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 0.65 0.00 0.00 1.08 0.00 0.00 4 F 8.98 4.97 0.00 3.22 3.10 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 5 L 9.28 5.22 0.00 1.37 1.34 0.58 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.60 4.61 0.00 1.89 1.64 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.21 0.00 7 I 8.95 4.37 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.30 0.81 0.00 0.00 8 R 9.39 5.06 0.00 1.51 1.66 0.00 3.05 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.62 0.00 9 R 9.10 4.41 0.00 1.64 1.53 0.00 3.02 0.00 0.00 2.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 10 H 10.23 3.79 0.00 3.26 3.26 0.00 6.01 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.13 3.96 0.00 1.89 1.93 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 12 T 7.67 4.65 4.41 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 1.23 0.00 0.00 13 T 8.24 4.84 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 1.43 0.00 0.00 14 I 8.88 4.51 1.82 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.92 0.00 0.00 15 F 8.85 5.12 0.00 2.91 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 16 T 8.71 4.80 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 1.15 0.00 0.00 17 D 8.08 5.21 0.00 2.09 2.33 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 18 A 7.75 4.31 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 0.00 0.00 0.00 0.00 0.00 19 K 8.13 4.54 0.00 1.67 1.71 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.36 7.81 20 E 9.31 3.96 0.00 2.14 1.96 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 2.34 2.52 0.00 21 S 7.88 4.54 0.00 4.02 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 22 S 7.97 4.36 0.00 3.82 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 23 T 9.43 5.07 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 1.25 0.00 0.00 24 V 8.81 3.58 2.30 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 1.00 0.00 0.00 1.08 0.00 0.00 25 F 8.27 4.07 0.00 3.33 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 26 E 8.16 3.86 0.00 2.18 1.96 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 2.43 2.43 0.00 27 L 7.61 3.88 0.00 1.74 1.60 0.71 0.46 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 28 K 7.52 4.25 0.00 1.65 1.67 0.00 1.90 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.42 7.81 29 R 7.33 3.70 0.00 1.87 1.85 0.00 3.23 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.66 0.00 30 I 7.48 3.66 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 1.36 0.86 0.88 0.00 0.00 31 V 7.76 3.59 2.39 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 1.19 0.00 0.00 0.93 0.00 0.00 32 E 7.70 4.41 0.00 2.19 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 0.00 2.29 2.18 0.00 33 G 7.79 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 0.00 0.00 0.00 34 I 7.29 4.03 1.99 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 1.54 0.70 0.94 0.00 0.00 35 L 8.38 4.39 0.00 1.84 1.92 1.03 0.98 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 36 K 7.87 4.25 0.00 1.79 1.75 0.00 1.83 0.00 0.00 2.61 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.33 7.81 37 R 7.28 4.36 0.00 1.71 1.52 0.00 2.62 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.00 38 P 0.00 5.19 0.00 2.21 1.97 0.00 3.84 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 2.08 2.04 0.00 39 P 0.00 4.23 0.00 2.35 1.92 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 40 D 8.18 4.53 0.00 2.82 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 41 E 8.71 4.51 0.00 2.09 1.96 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 2.27 2.22 0.00 42 Q 8.23 5.18 0.00 2.22 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 43 R 8.97 4.72 0.00 1.93 1.63 0.00 3.23 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 44 L 8.37 5.24 0.00 1.55 1.55 0.86 0.82 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 45 Y 9.14 5.03 0.00 2.87 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 46 K 8.52 4.76 0.00 1.95 1.66 0.00 1.45 0.00 0.00 1.48 0.00 0.00 2.67 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.30 1.39 7.81 47 D 9.04 4.64 0.00 2.88 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 48 D 8.36 4.56 0.00 2.85 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 49 Q 7.69 4.45 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 50 L 8.45 3.73 0.00 1.54 1.42 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.02 4.73 0.00 1.63 1.59 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.44 4.67 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.15 4.57 0.00 2.83 2.93 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 54 G 7.94 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 55 K 7.91 4.42 0.00 2.00 1.76 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.53 7.81 56 T 9.77 4.68 4.50 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 1.29 0.00 0.00 57 L 8.89 4.33 0.00 1.77 1.95 0.80 0.74 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 58 G 8.82 3.88 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 0.00 0.00 0.00 59 E 8.14 4.02 0.00 2.11 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 2.36 2.38 0.00 60 C 7.91 4.39 0.00 3.29 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 61 G 8.05 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 0.00 0.00 0.00 0.00 62 F 8.02 4.52 0.00 3.24 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 63 T 7.90 5.04 4.28 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 1.27 0.00 0.00 64 S 8.80 4.11 0.00 3.94 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 65 Q 7.55 4.52 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 66 T 7.78 4.51 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 1.25 0.00 0.00 67 A 8.79 4.91 1.48 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 0.00 0.00 68 R 7.68 4.86 0.00 1.90 1.84 0.00 3.19 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 69 P 0.00 3.83 0.00 1.69 1.57 0.00 3.41 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 70 Q 7.87 4.11 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 71 A 7.85 4.79 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 72 P 0.00 4.84 0.00 2.19 2.29 0.00 3.89 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 73 A 9.04 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.49 5.00 4.27 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 1.21 0.00 0.00 75 V 8.38 4.57 1.96 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 1.01 0.00 0.00 0.55 0.00 0.00 76 G 8.94 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 0.00 0.00 0.00 77 L 8.44 5.49 0.00 1.47 1.38 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.58 4.67 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 79 F 8.85 5.78 0.00 2.97 2.83 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 80 R 8.95 4.02 0.00 2.00 1.83 0.00 3.28 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 81 A 8.53 4.42 1.28 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 0.00 0.00 82 D 8.81 4.59 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.86 4.68 0.00 2.69 2.54 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 84 T 7.86 3.39 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 1.21 0.00 0.00 *85 F 7.92 4.80 0.00 2.06 2.10 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 86 E 8.45 4.31 0.00 1.96 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 2.61 2.31 0.00 87 A 8.38 4.31 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 88 L 8.28 3.66 0.00 0.70 1.16 0.63 0.33 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 C 8.52 4.68 0.00 2.91 2.61 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 90 I 8.17 4.62 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.72 0.00 0.00 91 E 8.70 4.15 0.00 1.89 1.88 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 2.24 2.23 0.00 92 P 0.00 4.16 0.00 2.13 1.98 0.00 3.69 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 1.95 1.94 0.00 93 F 8.02 4.89 0.00 3.10 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 94 S 8.61 4.36 0.00 4.01 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 95 S 8.19 4.82 0.00 3.87 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 96 P 0.00 4.58 0.00 2.18 2.07 0.00 3.79 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 2.00 1.97 0.00 97 P 0.00 4.74 0.00 2.20 1.60 0.00 3.89 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 98 E 8.93 4.05 0.00 2.10 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 2.18 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.