NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2956 8.2649 123.5822 50.9747 19.8986 176.5281 2 P 4.2885 0.0000 0.0000 61.2415 32.1130 174.0346 3 P 4.4896 0.0000 0.0000 62.3032 33.2978 174.2643 4 P 4.5787 0.0000 0.0000 62.4991 32.2927 176.1367 5 V 3.7777 8.2052 122.2242 62.4082 32.7949 174.6608 6 Y 5.0920 8.2899 123.9329 56.0844 40.6551 175.6915 7 D 5.0897 8.9953 123.9836 52.2991 41.1607 177.3761 8 T 3.9911 8.8883 108.7949 64.3077 68.6207 175.4204 9 E 4.4596 8.5574 119.7739 55.8724 29.7194 176.6133 10 G 3.8942 8.2823 106.9061 46.0597 0.0000 173.3217 11 H 5.0306 8.5594 117.2662 53.7554 30.2600 174.4682 12 E 4.2354 8.9343 122.3039 56.9501 30.0904 177.0508 13 L 4.1233 8.6438 124.5745 54.7327 42.8736 176.3171 14 S 5.1710 8.8553 116.7595 56.1070 65.9785 174.9702 15 A 4.7080 8.4449 123.8532 54.7174 18.2181 178.9407 16 D 4.4667 7.7328 113.2271 55.9224 41.2327 176.9922 17 G 3.8853 7.8163 107.9018 44.3683 0.0000 172.8355 18 S 4.9278 7.6177 114.2134 56.6911 66.7331 173.1783 19 Y 5.1791 8.6567 120.2036 56.3667 42.0437 174.5688 20 Y 4.6306 9.0040 122.5016 58.3617 39.5900 175.6308 21 V 4.9085 8.9407 122.9693 61.5193 32.9775 174.0161 22 L 4.9978 8.5183 127.3378 51.8361 43.4820 174.5639 23 P 4.7924 0.0000 0.0000 62.6058 32.0570 177.6763 24 A 4.1614 8.5334 125.3761 54.2887 18.6580 178.1124 25 S 4.7693 7.0757 108.6921 55.8079 66.7497 172.3239 26 P 4.5387 0.0000 0.0000 63.3867 31.6413 176.8411 27 G 3.9118 9.1149 107.7639 46.4595 0.0000 173.7829 28 H 4.7286 8.3891 113.3569 54.9887 29.4727 174.7229 29 G 3.8307 8.3642 108.4108 44.4184 0.0000 171.5213 30 G 4.6765 8.1736 107.7160 45.5900 0.0000 172.7343 31 G 4.6741 8.6597 109.0868 44.5121 0.0000 172.7739 32 L 5.2325 8.6445 118.6023 54.3487 44.0590 176.3202 33 T 4.6954 9.1528 115.7329 61.3478 71.4935 171.5413 34 M 5.4475 8.6730 120.1249 53.7363 34.6352 175.5702 35 A 4.9717 9.2415 123.6973 49.7456 23.3302 173.6964 36 P 4.6097 0.0000 0.0000 62.9827 32.4240 176.8157 37 R 4.4298 7.9752 122.5591 55.3926 32.3133 175.0929 38 V 3.7408 8.4418 115.5013 66.2636 31.5976 177.5163 39 L 4.1419 7.7014 118.7310 54.1099 41.9346 175.9880 40 P 4.4459 0.0000 0.0000 65.2007 31.6303 177.1329 41 C 4.9793 7.6930 114.6377 54.2518 44.0368 171.7717 42 P 4.7727 0.0000 0.0000 61.5033 32.4343 175.2948 43 L 4.4974 8.1676 117.8473 54.2370 43.1816 176.4682 44 L 4.9536 8.7972 122.4140 53.0045 45.0929 175.5406 45 V 4.5323 8.6738 121.3285 62.4288 32.6539 174.8991 46 A 5.3071 9.2436 128.9508 50.1905 22.9431 173.9149 47 Q 4.9586 8.5792 120.6184 54.0155 30.9078 175.3750 48 E 4.0954 9.2896 126.6278 56.8341 29.9155 178.5053 49 T 3.7788 8.5629 114.4768 63.7771 69.6962 174.0966 50 D 4.5663 7.7988 122.6689 52.5978 41.3230 176.3246 51 E 4.1828 8.7069 127.4139 58.5052 29.7983 178.3442 52 R 4.0857 8.3051 116.1736 57.2204 30.7456 176.4377 53 R 4.2532 7.9060 118.8837 54.8808 30.5581 177.4298 54 K 4.1856 8.4288 122.8409 56.8011 33.2268 178.4767 55 G 3.9182 7.7599 106.3184 46.6186 0.0000 172.3184 56 F 5.3221 8.5453 121.4704 55.1788 41.2530 174.4944 57 P 4.7470 0.0000 0.0000 62.8361 33.1057 175.2975 58 V 4.7577 8.7871 114.0876 59.7473 35.0902 174.8376 59 R 4.9033 8.4919 121.4100 54.4824 33.3223 174.9403 60 F 5.0672 8.6903 121.3397 56.1500 41.8559 174.7649 61 T 4.8613 8.7928 119.3770 60.9094 71.6969 171.9637 62 P 4.6731 0.0000 0.0000 62.2955 32.8351 175.6002 63 W 4.3831 8.4363 133.4875 58.7400 30.8648 175.8991 64 G 3.8477 9.3444 114.3813 44.3455 0.0000 174.7828 65 G 3.6379 7.8404 108.4636 46.3323 0.0000 177.4363 66 A 3.9036 8.7246 126.1870 54.3572 18.2640 178.1097 67 A 4.2870 7.5691 116.2158 52.2634 19.1417 177.5824 68 A 4.2224 7.6561 119.3102 50.7795 18.9149 175.9174 69 P 4.3691 0.0000 0.0000 62.7290 32.0560 177.6833 70 E 3.8644 8.7106 119.9000 59.3519 29.5323 176.8966 71 D 4.4351 7.3952 115.0845 54.5450 40.5510 175.1257 72 R 4.6290 8.2795 125.7862 56.1874 31.5892 176.2998 73 T 4.2111 7.9239 116.5463 64.1945 69.1953 173.9705 74 I 3.9323 8.4023 127.4802 60.8768 38.1014 175.4035 75 R 4.8712 8.1651 125.3021 53.9270 33.2339 176.2184 76 V 3.8691 8.4298 114.5833 61.6701 32.5473 175.9745 77 S 4.4379 8.7303 115.7897 58.9361 60.9553 172.7184 78 T 4.5731 7.6859 114.6946 61.3116 71.6206 173.7703 79 D 4.5762 8.5826 125.7921 55.2005 41.8276 175.9863 80 V 5.0112 9.0835 115.2749 60.1272 36.7251 174.5007 81 R 5.3184 9.3007 121.8383 55.2435 32.8505 175.5813 82 I 4.5311 7.9397 120.9723 59.3720 41.1016 174.6158 83 R 4.7559 8.0689 121.5044 54.2516 33.4147 174.1590 84 F 4.8002 8.5991 119.2956 57.6449 39.7452 176.1884 85 N 4.7218 8.9473 123.0405 51.4536 37.1627 173.6719 86 A 4.1768 7.7142 122.2274 51.0213 21.9470 175.7982 87 A 4.6622 8.3189 122.9941 50.8530 21.1085 177.0366 88 T 4.6205 7.9166 116.3262 61.3983 71.8166 175.4594 89 I 3.8615 8.5911 126.4339 64.5868 37.2506 177.9832 90 C 4.3527 8.1811 115.9364 57.6094 40.5420 173.2787 91 V 3.2256 7.9769 119.0219 64.2418 30.1503 171.6256 92 Q 4.7138 7.4468 115.2935 53.2471 33.0122 175.2392 93 S 4.2484 8.5136 113.5899 59.4502 62.8867 174.4455 94 T 4.6289 8.4096 115.3973 61.4805 69.4008 173.7148 95 E 4.5737 8.1531 124.5779 56.3825 31.0233 175.9598 96 W 5.2279 9.3874 126.9723 56.9925 30.7888 175.0166 97 H 5.5218 9.7152 118.3582 54.7495 32.1792 171.9326 98 V 4.6543 8.7809 118.3255 61.3626 33.6059 175.3440 99 G 3.8284 8.7350 113.5368 46.9094 0.0000 175.0905 *107 R 4.3003 8.1713 117.7726 56.0169 32.0273 177.2893 108 R 4.4651 9.0671 111.4138 56.1995 32.1739 177.0478 109 V 4.3845 8.4265 122.7010 62.0569 32.9870 175.3363 110 V 4.7629 8.8117 127.0732 60.2835 35.3059 174.5728 111 T 5.1696 7.8003 111.6915 59.8939 71.5729 173.5401 112 G 3.8623 8.5473 110.0659 44.1600 0.0000 171.1400 113 P 4.3151 0.0000 0.0000 63.0199 31.8843 174.2645 114 L 4.1153 8.6739 118.7420 53.4057 41.6821 174.1190 *121 G 3.9836 8.6158 111.0103 44.3330 0.0000 173.0335 122 R 4.3372 8.3135 116.3681 56.9002 28.0488 177.9689 123 E 4.0142 7.8411 119.9004 58.7992 29.5178 178.1213 124 N 5.3352 8.5263 113.2796 51.7128 37.8776 173.8085 125 A 4.5018 7.5502 121.7194 51.3260 20.3452 177.0846 126 F 5.3725 9.3315 120.8586 55.8140 43.6136 174.2473 127 R 5.0071 9.1646 117.5820 54.7979 34.9514 174.4467 128 V 4.8533 8.2724 120.4142 61.4310 34.0555 174.2310 129 E 5.1608 9.0525 126.3545 54.0733 33.3132 175.2112 130 K 4.3631 8.8977 125.1617 56.8307 33.2679 175.5963 131 Y 4.5696 9.3437 126.3275 57.7906 43.2474 173.8017 132 G 3.4163 7.6975 115.8255 47.2503 0.0000 173.9825 133 G 4.0479 8.7143 113.8623 45.0625 0.0000 171.8213 134 G 3.9328 7.3517 116.0138 46.1440 0.0000 176.4836 135 Y 5.5079 8.9635 122.6904 55.7296 42.5605 172.8970 136 K 4.9815 9.3551 120.5568 55.3379 36.0793 174.9045 137 L 5.3724 8.4787 120.5380 53.6785 44.3108 175.9222 138 V 4.9506 8.9107 114.7855 59.7362 36.0885 174.5198 139 S 4.5320 9.0358 119.3977 57.0736 63.9612 173.4814 140 C 5.2034 8.1746 125.1843 56.4726 40.2728 175.8255 141 R 4.5986 7.2960 119.1257 58.4396 31.4532 175.9135 142 D 4.4239 8.3089 113.0407 54.1966 41.6342 178.0384 143 S 4.5145 8.9304 108.2983 56.9727 65.3225 175.0249 144 C 4.6710 8.5090 118.7769 57.2692 41.5135 173.3445 145 Q 4.7404 9.0707 123.3666 53.7206 31.7429 175.1016 146 D 4.7230 8.8376 123.7149 54.6370 42.4688 175.0528 147 L 5.1116 8.9150 122.1105 53.4392 44.1379 176.0159 148 G 4.7642 9.0775 109.5962 43.5607 0.0000 170.8142 149 V 5.0081 8.3619 118.6802 61.1516 33.9266 175.0821 150 S 4.7385 8.8300 122.0724 56.5939 66.3717 173.3302 151 R 4.3027 8.7033 125.6989 56.2903 31.1060 175.9883 152 D 4.6437 9.4731 126.1157 53.1528 43.2244 176.9503 153 G 3.8633 8.2134 118.1790 46.5679 0.0000 174.2973 154 A 4.1581 8.9251 128.3475 52.9338 18.9044 177.9083 155 R 4.4169 7.6224 114.4644 53.8498 33.8957 174.8966 156 A 4.7740 7.6359 122.1026 49.9920 21.8340 174.9811 157 W 5.3058 8.8225 123.0869 54.9601 32.1551 175.3761 158 L 4.6781 9.0088 126.8651 54.9921 42.8646 175.9990 159 G 4.3992 8.9924 112.0316 44.9294 0.0000 171.4845 160 A 4.7967 8.6785 122.6368 52.7805 18.3307 177.2407 161 S 4.5852 8.1285 114.7262 58.6874 66.3220 175.1737 162 Q 4.6385 8.6080 121.1616 53.3687 31.6399 173.3462 163 P 4.6126 0.0000 0.0000 61.1475 32.5080 173.8195 164 P 4.4944 0.0000 0.0000 63.0707 31.6238 175.3782 165 H 4.6213 8.7657 121.6318 55.6001 30.4661 174.6367 166 V 4.2852 8.2804 126.7712 62.4360 32.7967 175.1230 167 V 4.9940 9.1093 120.5227 59.6982 36.2013 174.7490 168 V 4.6216 8.6518 114.6993 59.6046 36.4389 174.7567 169 F 5.3478 8.5691 120.0592 55.9099 41.6360 174.5309 170 K 4.9335 9.1386 126.6519 53.7032 33.4501 175.6092 171 K 4.2260 9.0917 129.5723 56.6719 32.8336 176.2832 172 A 4.4274 8.5190 128.6515 52.2562 18.0457 177.0514 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 A 8.26 4.30 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 2 P 0.00 4.29 0.00 2.21 2.00 0.00 3.67 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 2.01 2.16 0.00 3 P 0.00 4.49 0.00 2.14 2.08 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 4 P 0.00 4.58 0.00 1.11 1.65 0.00 3.68 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 2.02 1.97 0.00 5 V 8.21 3.78 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 -0.08 0.00 0.00 0.38 0.00 0.00 6 Y 8.29 5.09 0.00 3.21 2.90 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 7 D 9.00 5.09 0.00 3.37 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 8 T 8.89 3.99 4.32 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 1.32 0.00 0.00 9 E 8.56 4.46 0.00 2.24 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 0.00 2.33 2.38 0.00 10 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 11 H 8.56 5.03 0.00 3.52 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.93 4.24 0.00 1.85 1.78 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 2.02 2.47 0.00 13 L 8.64 4.12 0.00 1.14 0.99 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.86 5.17 0.00 3.89 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 15 A 8.44 4.71 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 16 D 7.73 4.47 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.82 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 18 S 7.62 4.93 0.00 3.52 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 19 Y 8.66 5.18 0.00 3.08 3.11 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 20 Y 9.00 4.63 0.00 3.08 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 21 V 8.94 4.91 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 1.23 0.00 0.00 1.30 0.00 0.00 22 L 8.52 5.00 0.00 1.67 1.56 0.96 0.94 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 23 P 0.00 4.79 0.00 2.22 1.96 0.00 3.62 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 2.39 2.20 0.00 24 A 8.53 4.16 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 25 S 7.08 4.77 0.00 3.70 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 26 P 0.00 4.54 0.00 2.05 2.07 0.00 3.78 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 2.03 2.05 0.00 27 G 9.11 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 28 H 8.39 4.73 0.00 3.23 3.33 0.00 5.90 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 29 G 8.36 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 30 G 8.17 4.68 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 31 G 8.66 4.67 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 0.00 0.00 0.00 32 L 8.64 5.23 0.00 2.11 2.02 1.26 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.15 4.70 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 34 M 8.67 5.45 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.68 0.00 35 A 9.24 4.97 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 36 P 0.00 4.61 0.00 2.22 2.28 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 37 R 7.98 4.43 0.00 1.34 1.36 0.00 2.70 0.00 0.00 2.91 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 38 V 8.44 3.74 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 0.86 0.00 0.00 0.94 0.00 0.00 39 L 7.70 4.14 0.00 1.65 1.68 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.45 0.00 2.18 2.20 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 41 C 7.69 4.98 0.00 2.92 2.97 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 42 P 0.00 4.77 0.00 2.27 2.18 0.00 3.33 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 43 L 8.17 4.50 0.00 1.67 1.68 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.80 4.95 0.00 1.43 1.35 0.71 0.10 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 45 V 8.67 4.53 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.07 0.00 0.00 46 A 9.24 5.31 1.02 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 47 Q 8.58 4.96 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 48 E 9.29 4.10 0.00 1.84 1.80 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 2.39 2.47 0.00 49 T 8.56 3.78 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 1.10 0.00 0.00 50 D 7.80 4.57 0.00 2.65 2.53 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 51 E 8.71 4.18 0.00 2.03 1.92 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 2.37 2.48 0.00 52 R 8.31 4.09 0.00 1.90 1.92 0.00 3.18 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 53 R 7.91 4.25 0.00 1.93 1.75 0.00 3.05 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 54 K 8.43 4.19 0.00 1.23 1.23 0.00 0.61 0.00 0.00 1.49 0.00 0.00 2.70 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.13 7.81 55 G 7.76 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 56 F 8.55 5.32 0.00 2.62 2.90 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 57 P 0.00 4.75 0.00 1.84 1.19 0.00 3.87 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.65 0.00 58 V 8.79 4.76 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 0.45 0.00 0.00 0.51 0.00 0.00 59 R 8.49 4.90 0.00 1.54 1.72 0.00 3.22 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 60 F 8.69 5.07 0.00 2.79 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 61 T 8.79 4.86 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 1.18 0.00 0.00 62 P 0.00 4.67 0.00 2.09 2.01 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 63 W 8.44 4.38 0.00 3.42 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 64 G 9.34 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 0.00 0.00 0.00 65 G 7.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.72 3.90 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 67 A 7.57 4.29 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 68 A 7.66 4.22 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 69 P 0.00 4.37 0.00 2.19 2.02 0.00 3.63 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 2.13 2.15 0.00 70 E 8.71 3.86 0.00 1.95 2.01 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 2.31 2.30 0.00 71 D 7.40 4.44 0.00 2.67 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 72 R 8.28 4.63 0.00 1.75 1.88 0.00 3.34 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.57 0.00 73 T 7.92 4.21 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 1.07 0.00 0.00 74 I 8.40 3.93 1.33 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 1.04 0.59 0.22 0.00 0.00 75 R 8.17 4.87 0.00 1.57 1.84 0.00 3.16 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.00 76 V 8.43 3.87 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 0.80 0.00 0.00 1.03 0.00 0.00 77 S 8.73 4.44 0.00 3.97 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 78 T 7.69 4.57 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 1.20 0.00 0.00 79 D 8.58 4.58 0.00 2.36 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 0.00 0.00 0.00 80 V 9.08 5.01 2.24 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 0.76 0.00 0.00 1.14 0.00 0.00 81 R 9.30 5.32 0.00 1.77 2.04 0.00 3.38 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 82 I 7.94 4.53 0.56 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.33 -1.29 0.00 0.00 83 R 8.07 4.76 0.00 1.86 1.84 0.00 2.74 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.48 0.00 84 F 8.60 4.80 0.00 3.04 2.88 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 85 N 8.95 4.72 0.00 2.70 2.74 0.00 0.00 7.00 7.65 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 86 A 7.71 4.18 0.63 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 87 A 8.32 4.66 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 88 T 7.92 4.62 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 1.25 0.00 0.00 89 I 8.59 3.86 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.92 0.00 0.00 90 C 8.18 4.35 0.00 2.97 3.15 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 91 V 7.98 3.23 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 0.72 0.00 0.00 0.93 0.00 0.00 92 Q 7.45 4.71 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 93 S 8.51 4.25 0.00 3.88 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 94 T 8.41 4.63 4.45 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 1.27 0.00 0.00 95 E 8.15 4.57 0.00 2.13 1.94 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 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1.71 1.59 0.00 142 D 8.31 4.42 0.00 2.60 2.26 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 0.00 143 S 8.93 4.51 0.00 3.99 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 0.00 144 C 8.51 4.67 0.00 2.86 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 0.00 145 Q 9.07 4.74 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 146 D 8.84 4.72 0.00 2.58 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 0.00 147 L 8.91 5.11 0.00 1.73 1.67 1.25 0.84 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 0.00 148 G 9.08 4.76 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 0.00 149 V 8.36 5.01 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 0.82 0.00 0.00 0.76 0.00 0.00 150 S 8.83 4.74 0.00 3.88 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 0.00 151 R 8.70 4.30 0.00 1.77 1.81 0.00 3.28 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 152 D 9.47 4.64 0.00 2.93 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 0.00 153 G 8.21 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 0.00 154 A 8.93 4.16 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 0.00 155 R 7.62 4.42 0.00 1.21 0.66 0.00 2.47 0.00 0.00 2.75 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 156 A 7.64 4.77 1.09 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 0.00 157 W 8.82 5.31 0.00 3.27 2.98 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 0.00 158 L 9.01 4.68 0.00 1.73 1.41 1.01 0.77 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 0.00 159 G 8.99 4.40 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 0.00 160 A 8.68 4.80 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 0.00 161 S 8.13 4.59 0.00 3.87 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 0.00 162 Q 8.61 4.64 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.09 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 163 P 0.00 4.61 0.00 2.32 2.22 0.00 3.79 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 2.00 0.00 164 P 0.00 4.49 0.00 1.89 1.87 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 165 H 8.77 4.62 0.00 3.20 3.34 0.00 5.76 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.28 4.29 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 1.01 0.00 0.00 1.15 0.00 0.00 167 V 9.11 4.99 1.94 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 0.70 0.00 0.00 0.83 0.00 0.00 168 V 8.65 4.62 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 0.79 0.00 0.00 0.98 0.00 0.00 169 F 8.57 5.35 0.00 3.00 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 0.00 170 K 9.14 4.93 0.00 2.02 2.01 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.38 7.81 171 K 9.09 4.23 0.00 2.14 1.78 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 0.91 7.81 172 A 8.52 4.43 0.97 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 * Residues marked with a * may have inaccurate shift predictions.