NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3095 8.3449 121.7110 56.1021 30.2495 174.1726 3 T 4.4389 8.0963 119.3366 60.5647 71.6033 168.6935 4 V 3.8125 9.0521 126.6112 61.6716 33.2546 174.5624 5 P 4.4431 0.0000 0.0000 62.2220 33.2514 176.8892 6 L 3.9741 8.6315 122.1253 58.5000 41.8950 179.7059 7 S 4.2794 8.1012 113.6278 61.5712 62.9680 176.2931 8 R 3.9247 8.0152 122.0676 58.8940 29.8327 178.2706 9 L 3.9265 7.7701 118.2193 57.8880 41.5827 179.5220 10 F 4.2226 8.4972 118.0120 60.6884 38.8663 177.4015 11 D 4.4258 8.8809 118.8392 57.6643 40.6585 178.3832 12 H 4.1057 8.7166 118.7972 59.2959 29.8832 177.2260 13 A 3.9931 8.0628 122.5493 55.4339 18.1368 179.5141 14 M 4.0616 8.5124 117.6835 58.3834 31.9897 178.7982 15 L 3.9522 7.9487 120.5232 58.3103 42.2262 179.1290 16 Q 3.9467 8.1808 117.8201 58.6000 28.5772 178.2730 17 A 3.9256 8.5826 122.2342 55.5026 18.3676 178.8231 18 H 4.1667 8.3774 116.8664 59.7193 29.7928 177.2607 19 R 3.7665 8.1542 119.9107 59.3100 29.9406 178.2603 20 A 3.8571 8.2557 121.0012 55.3359 18.2602 179.0934 21 H 3.8035 8.4093 117.1321 59.2600 29.9118 177.2424 22 Q 3.6991 8.1116 121.7315 58.8825 28.8179 177.6748 23 L 3.7104 7.8032 121.2167 58.2367 42.0125 178.8207 24 A 3.5679 7.3894 120.1205 55.0680 18.0866 179.6576 25 I 3.5875 7.6708 118.3527 64.5878 37.1982 178.4649 26 D 4.3573 8.4210 120.0066 57.6742 40.6032 178.9999 27 T 3.9094 8.2770 116.5636 66.7705 68.5162 175.8824 28 Y 4.2080 8.1898 121.3371 61.0439 38.8062 178.3104 29 Q 4.2054 8.6563 118.9323 59.1205 28.9076 178.5205 30 E 4.0156 8.4380 120.3083 59.1266 29.6635 178.5122 31 F 4.2076 8.8981 120.9133 61.4144 39.5547 176.4721 32 E 3.6326 8.8005 119.1429 59.5111 29.1570 178.7973 33 E 3.9273 8.0817 117.1121 59.6682 29.5793 179.1939 34 T 3.7686 7.5869 114.8252 65.7466 68.6945 175.1067 35 Y 4.3124 7.9902 116.5333 57.2135 40.1198 174.9901 36 I 4.1210 7.0588 120.7146 58.2426 37.5285 173.7907 37 P 4.2866 0.0000 0.0000 62.7326 31.9945 177.8213 38 K 4.1698 8.4615 122.0458 59.7059 32.5962 178.0396 39 D 4.4686 8.0017 116.0620 55.3119 39.8666 176.6042 40 Q 4.5241 8.0338 118.0292 55.1638 29.3974 175.4090 41 K 4.0369 7.4892 118.6136 58.0592 32.4141 176.3796 42 Y 2.7920 9.1143 120.0131 58.4837 35.9911 171.7131 43 S 3.8599 8.0715 117.5395 61.3469 62.8759 175.8279 44 F 4.2644 7.7757 114.6135 58.1608 38.4263 173.8633 45 L 4.1329 7.5935 122.1331 54.3647 38.5645 175.3699 *51 S 4.4024 8.5198 118.7437 58.7461 64.0189 172.1368 52 F 4.9720 8.3054 123.7054 56.2749 42.0968 175.3848 53 C 5.1449 9.2867 124.7004 55.1066 41.4849 174.4882 54 F 4.2642 10.3678 126.1023 61.8051 38.8911 178.1062 55 S 4.1001 8.8038 113.6946 61.1450 62.6250 175.2264 56 D 4.2363 7.6764 119.7190 56.1262 40.0766 177.2644 57 S 4.4433 7.9456 115.9951 60.5568 63.2832 173.9279 58 I 4.3702 7.5202 123.1781 58.8864 38.0405 174.6093 59 P 4.5385 0.0000 0.0000 63.7388 32.7062 177.3700 60 T 3.2608 7.9006 115.0405 63.6068 65.9387 173.3590 *71 S 4.3381 8.4166 111.8322 57.9837 64.1924 173.6192 72 N 4.5821 8.0295 115.2021 51.9791 39.9759 176.4100 73 L 4.1572 8.4839 120.9156 57.0281 41.5968 179.5068 74 E 3.9204 7.9639 119.6124 59.1633 29.8971 177.8742 75 L 3.8527 7.8918 118.4790 58.1139 41.6614 179.5629 76 L 4.0818 7.6549 117.3914 57.6177 41.6349 179.5114 77 R 3.8906 7.8844 118.6232 59.5892 30.0706 178.5672 78 I 3.7374 8.2492 119.8883 64.5470 37.1352 178.2961 79 S 4.1167 8.1925 115.9644 61.8652 62.7143 176.7877 80 L 4.0115 7.9091 122.6143 58.0011 41.8151 179.0614 81 L 4.0339 7.7744 118.6811 57.7804 41.4123 179.1115 82 L 3.6034 7.7284 117.9597 58.0377 41.8866 179.5918 83 I 4.0596 7.8340 119.3085 64.5351 37.1412 178.3134 84 E 4.1619 8.3231 119.7502 59.3929 29.1195 179.2622 85 S 4.3850 8.3408 112.5012 59.8707 63.3584 175.2252 86 W 4.6382 8.4932 121.7918 56.4426 29.7935 177.3158 87 L 4.1392 7.8552 119.4202 57.6083 40.8867 178.8462 88 E 4.2758 8.1286 117.9948 59.0739 29.8456 177.1998 89 P 4.2525 0.0000 0.0000 65.7136 31.3817 178.7924 90 V 3.7196 8.1620 117.5514 65.7305 31.2081 178.1067 91 R 4.3738 7.3275 115.9246 57.8868 29.3662 177.7997 92 F 4.4352 8.0471 117.4720 57.2916 38.9730 176.8830 93 L 3.4745 7.6857 121.6799 58.3788 41.9726 178.8715 94 R 4.3066 7.9639 115.7146 57.7059 29.8978 178.5280 95 S 4.3667 8.1504 113.8642 61.1396 63.3749 175.4738 96 M 4.1306 7.5182 119.1103 57.0374 31.7871 176.8476 97 F 4.6111 8.5275 115.4240 56.7703 39.4649 175.0294 98 A 4.6984 7.8287 123.7067 50.1861 21.2681 175.6581 99 N 4.5774 8.7386 119.3044 53.0059 37.6332 175.7775 *100 N 4.1752 8.7262 122.7533 53.4919 34.8419 170.8011 101 L 4.8057 7.8506 120.1410 53.4773 44.8968 175.0598 102 V 4.4702 8.2076 125.1667 60.6696 33.3676 174.5488 103 Y 4.3025 8.9983 127.7466 58.5980 38.8786 175.3497 104 D 4.4247 8.2809 125.5926 53.1235 39.6687 177.2234 105 T 2.7682 5.7900 107.6418 61.7397 67.3353 171.9448 106 S 4.1883 7.3840 116.6014 57.5247 63.9168 173.2161 107 D 4.2418 8.9948 119.3410 56.1104 41.3692 176.7303 108 S 3.8564 8.8980 126.2260 62.7979 61.5306 173.2984 109 D 3.7633 8.2478 119.1212 53.4108 41.6246 176.0843 110 D 4.5391 7.9359 122.3171 55.4782 39.4092 177.3950 111 Y 4.7314 7.5734 117.2949 59.5911 38.5668 176.8009 112 H 4.3414 8.3132 117.1643 57.2906 29.1029 177.1927 113 L 3.6589 7.8867 121.7393 58.3002 41.9598 178.8700 114 L 4.0370 8.2740 119.0798 57.5667 41.5220 179.4057 115 K 3.9768 8.8407 120.6835 59.3855 32.0068 178.1068 116 D 4.3132 8.0599 117.9139 57.3272 41.1272 177.5288 117 L 3.9015 8.2944 120.8898 58.3009 41.9499 178.6101 118 E 3.9218 8.4737 119.3082 59.5678 29.6061 178.5893 119 E 4.0340 8.3824 119.2969 59.0400 29.6968 178.7643 120 G 3.7239 8.4195 106.2171 47.8467 0.0000 175.7335 121 I 3.6841 8.0961 122.3666 64.4163 37.1077 178.5845 122 Q 3.9882 8.3631 119.0152 59.1764 28.3367 179.4273 123 T 3.8512 8.4043 117.2556 66.6200 68.5769 176.5287 124 L 3.8598 7.7828 120.8472 58.1935 41.2977 179.6843 125 M 4.1532 8.3516 118.6784 58.3543 31.7958 178.7794 126 G 3.7365 7.6549 103.3281 46.5148 0.0000 175.2513 127 R 4.2361 7.2255 118.4635 58.5501 30.6512 177.9701 128 L 4.3140 7.9824 115.7823 55.1704 41.9981 178.0462 129 E 3.2791 7.4201 112.3542 57.2689 26.3955 174.8858 *137 Q 4.0697 8.3006 128.0782 55.8778 29.7310 174.3589 138 I 4.2013 8.4590 118.4163 60.9422 39.4197 175.4429 139 L 4.4768 7.9000 124.7490 53.3837 43.3791 175.6830 140 K 4.3875 8.4308 127.4639 52.9450 33.1298 172.3928 141 Q 4.2584 8.3563 122.9418 53.1907 30.2384 174.9853 142 T 4.4294 7.8382 112.6578 59.6473 71.4530 173.2116 143 Y 4.0839 7.8869 121.5795 56.7029 39.0968 175.7973 144 S 4.2295 8.2132 119.0066 58.1102 63.6988 174.0266 145 K 3.9884 8.0245 123.0269 55.5070 32.6881 176.8041 146 F 4.5257 8.1172 123.1571 58.2710 39.4533 174.5579 147 D 4.9559 9.2609 123.1110 53.4671 42.7662 178.3964 148 T 3.7728 7.8729 111.5921 64.5203 70.0997 172.7957 *154 D 4.4626 7.7647 120.1294 52.6077 40.7700 174.9297 155 A 3.9798 8.6245 119.0904 55.6927 18.2588 179.3817 156 L 3.9691 7.9953 118.3538 58.5809 42.1224 178.9241 157 L 4.3185 8.0805 120.1915 57.7497 42.0165 178.6762 158 K 3.9762 8.3862 119.8447 59.7147 32.2346 178.4934 159 N 4.5033 8.5356 116.9632 56.5009 38.4560 176.5668 160 Y 4.2193 8.5670 121.4519 60.9474 38.8229 178.7059 161 G 3.4611 8.1835 106.4360 47.5035 0.0000 175.8105 162 L 4.1761 8.2213 121.3715 57.7297 41.6770 179.6303 163 L 4.1272 8.1850 118.9867 57.8145 41.5346 178.6804 164 Y 3.9300 8.1046 119.5560 61.1839 38.5907 177.9047 165 C 4.2743 8.4483 117.2395 59.5931 41.4678 175.8643 166 F 3.1208 8.2757 122.9059 60.7539 38.7665 177.1445 167 R 3.3479 7.4871 118.1292 59.2636 29.8973 178.5664 168 K 3.6117 7.5291 118.1941 59.5164 31.8851 179.1352 169 D 4.2605 8.4195 119.4532 57.5222 40.7622 178.7647 170 M 3.8490 7.7733 119.3529 57.9034 31.8062 178.2222 171 D 3.6916 7.4999 118.2574 56.9410 41.3040 178.0270 172 K 3.3975 7.5741 119.9569 59.4389 32.0710 178.3977 173 V 3.4453 7.6865 118.6322 66.2403 31.3701 177.5879 174 E 3.9632 8.0894 118.6388 59.4200 29.4343 178.7991 175 T 3.8778 7.9109 115.7602 66.8713 68.5979 176.6578 176 F 4.4872 8.5351 119.9700 60.6597 38.8594 177.7861 177 L 4.1454 8.6051 119.1499 57.7255 41.4157 179.5613 178 R 3.8142 8.1583 118.6765 59.4927 29.9230 178.0725 179 M 3.9344 7.9577 117.9610 58.7590 32.2237 178.2961 180 V 3.6228 7.7194 118.1554 65.9873 31.6190 177.5218 181 Q 2.5200 7.7658 119.2262 58.9227 28.5254 177.8694 182 C 4.1497 7.7027 115.8616 60.2682 40.4081 176.2374 183 R 3.7942 7.4336 118.0138 58.7233 29.6381 178.4973 184 S 4.7529 7.7124 113.4178 57.8067 63.7374 174.1038 185 V 4.2520 7.5521 121.3336 60.4882 32.6014 174.3646 186 E 4.0187 8.6041 127.8043 57.5903 30.1429 177.7613 187 G 4.0091 8.9420 111.9316 45.3245 0.0000 175.3119 188 S 4.2541 7.3157 115.3086 61.5043 63.1010 173.8593 189 C 4.4127 7.6613 120.2709 57.2472 42.2351 173.5640 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 Q 8.34 4.31 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 3 T 8.10 4.44 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 4 V 9.05 3.81 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 0.78 0.00 0.00 0.91 0.00 0.00 5 P 0.00 4.44 0.00 2.22 1.97 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 6 L 8.63 3.97 0.00 1.80 1.78 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.10 4.28 0.00 4.14 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 0.00 8 R 8.02 3.92 0.00 1.91 2.07 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 9 L 7.77 3.93 0.00 1.90 1.46 0.87 0.98 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 10 F 8.50 4.22 0.00 3.10 3.22 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 11 D 8.88 4.43 0.00 2.89 2.77 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 12 H 8.72 4.11 0.00 3.29 3.44 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.06 3.99 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 14 M 8.51 4.06 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.96 0.00 15 L 7.95 3.95 0.00 1.91 1.76 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.18 3.95 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 17 A 8.58 3.93 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 18 H 8.38 4.17 0.00 3.42 3.49 0.00 5.79 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 19 R 8.15 3.77 0.00 1.91 2.13 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 20 A 8.26 3.86 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 21 H 8.41 3.80 0.00 3.09 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.11 3.70 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 23 L 7.80 3.71 0.00 1.67 1.71 -0.07 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.39 3.57 0.36 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 25 I 7.67 3.59 1.85 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.52 0.87 0.00 0.00 26 D 8.42 4.36 0.00 2.78 2.69 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 27 T 8.28 3.91 4.35 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 1.37 0.00 0.00 28 Y 8.19 4.21 0.00 3.23 3.25 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 0.00 29 Q 8.66 4.21 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.91 0.00 30 E 8.44 4.02 0.00 2.11 2.20 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 2.62 2.38 0.00 31 F 8.90 4.21 0.00 3.39 3.26 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 32 E 8.80 3.63 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 2.24 2.28 0.00 33 E 8.08 3.93 0.00 1.97 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 2.58 2.51 0.00 34 T 7.59 3.77 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 0.46 0.00 0.00 35 Y 7.99 4.31 0.00 1.91 2.28 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 36 I 7.06 4.12 1.57 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.71 0.00 0.00 37 P 0.00 4.29 0.00 2.38 2.13 0.00 3.64 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 2.17 1.91 0.00 38 K 8.46 4.17 0.00 1.78 1.80 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.47 7.81 39 D 8.00 4.47 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 4.52 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 41 K 7.49 4.04 0.00 1.74 1.20 0.00 1.21 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.25 7.81 42 Y 9.11 2.79 0.00 3.02 2.50 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 43 S 8.07 3.86 0.00 4.07 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 44 F 7.78 4.26 0.00 3.04 3.22 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 45 L 7.59 4.13 0.00 1.65 1.72 0.89 0.83 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 *51 S 8.52 4.40 0.00 4.01 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 52 F 8.31 4.97 0.00 2.98 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 53 C 9.29 5.14 0.00 3.06 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 54 F 10.37 4.26 0.00 2.85 3.38 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 55 S 8.80 4.10 0.00 3.80 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 56 D 7.68 4.24 0.00 1.58 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 0.00 0.00 0.00 57 S 7.95 4.44 0.00 4.35 4.10 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 58 I 7.52 4.37 2.04 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 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0.00 2.10 2.17 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 78 I 8.25 3.74 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.50 0.96 0.00 0.00 79 S 8.19 4.12 0.00 4.15 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 80 L 7.91 4.01 0.00 1.96 1.89 0.95 0.69 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 81 L 7.77 4.03 0.00 2.03 1.70 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.73 3.60 0.00 1.61 1.66 0.65 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.83 4.06 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.82 1.02 0.00 0.00 84 E 8.32 4.16 0.00 2.26 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 2.38 2.70 0.00 85 S 8.34 4.38 0.00 4.13 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 0.00 86 W 8.49 4.64 0.00 3.56 3.08 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 87 L 7.86 4.14 0.00 1.84 1.76 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.13 4.28 0.00 2.08 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 2.52 2.47 0.00 89 P 0.00 4.25 0.00 2.32 1.90 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.04 0.00 90 V 8.16 3.72 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 0.90 0.00 0.00 1.11 0.00 0.00 91 R 7.33 4.37 0.00 1.13 1.77 0.00 3.00 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 92 F 8.05 4.44 0.00 3.54 3.28 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 93 L 7.69 3.47 0.00 2.03 1.81 0.67 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 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4.47 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 1.01 0.00 0.00 1.00 0.00 0.00 103 Y 9.00 4.30 0.00 3.00 3.12 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 0.00 104 D 8.28 4.42 0.00 2.65 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 0.00 105 T 5.79 2.77 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 1.08 0.00 0.00 106 S 7.38 4.19 0.00 3.96 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 D 8.99 4.24 0.00 2.68 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 0.00 108 S 8.90 3.86 0.00 3.87 3.54 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 0.00 109 D 8.25 3.76 0.00 2.70 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 0.00 0.00 0.00 110 D 7.94 4.54 0.00 2.87 2.90 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.00 3.97 0.00 1.77 1.90 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.08 4.32 0.00 2.06 1.77 1.01 0.56 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 0.00 158 K 8.39 3.98 0.00 2.07 2.03 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.53 7.81 159 N 8.54 4.50 0.00 2.97 2.65 0.00 0.00 6.72 8.32 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 0.00 160 Y 8.57 4.22 0.00 3.40 3.34 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 0.00 161 G 8.18 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 0.00 0.00 0.00 162 L 8.22 4.18 0.00 2.11 1.83 0.72 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.18 4.13 0.00 2.05 1.97 0.94 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 8.10 3.93 0.00 2.05 2.60 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 0.00 165 C 8.45 4.27 0.00 3.24 3.45 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 0.00 166 F 8.28 3.12 0.00 1.51 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 0.00 167 R 7.49 3.35 0.00 1.77 1.65 0.00 2.57 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.42 0.00 168 K 7.53 3.61 0.00 1.62 1.56 0.00 1.43 0.00 0.00 1.24 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.63 0.54 7.81 169 D 8.42 4.26 0.00 2.74 2.81 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 0.00 170 M 7.77 3.85 0.00 1.63 1.57 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 1.92 1.96 0.00 171 D 7.50 3.69 0.00 2.43 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 0.00 172 K 7.57 3.40 0.00 1.57 1.65 0.00 0.61 0.00 0.00 0.85 0.00 0.00 2.71 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.86 0.40 7.81 173 V 7.69 3.45 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 0.88 0.00 0.00 0.94 0.00 0.00 174 E 8.09 3.96 0.00 2.02 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 2.31 2.36 0.00 175 T 7.91 3.88 4.35 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 1.32 0.00 0.00 176 F 8.54 4.49 0.00 3.03 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 0.00 177 L 8.61 4.15 0.00 1.92 1.81 1.03 0.85 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 0.00 178 R 8.16 3.81 0.00 2.06 2.03 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 179 M 7.96 3.93 0.00 2.15 2.19 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 2.56 2.48 0.00 180 V 7.72 3.62 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 1.15 0.00 0.00 1.04 0.00 0.00 181 Q 7.77 2.52 0.00 1.77 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 182 C 7.70 4.15 0.00 3.03 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 0.00 183 R 7.43 3.79 0.00 1.67 1.94 0.00 3.25 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 1.83 1.91 0.00 184 S 7.71 4.75 0.00 3.66 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 0.00 185 V 7.55 4.25 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 1.03 0.00 0.00 1.04 0.00 0.00 186 E 8.60 4.02 0.00 1.99 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 2.29 2.28 0.00 187 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 0.00 188 S 7.32 4.25 0.00 3.89 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 0.00 189 C 7.66 4.41 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.