NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.6625 8.3649 120.3193 53.1837 40.7360 175.2272 9 K 3.8251 8.2855 116.8081 57.0708 31.7743 177.1104 10 R 3.5309 8.2782 121.4695 59.6400 30.3387 177.5063 11 D 4.3397 7.9967 117.7895 57.4388 40.8608 178.5046 12 Q 3.9014 7.9295 119.3353 59.3051 29.0246 178.3281 13 I 3.6767 7.9412 121.0389 64.3469 37.0713 178.4929 14 L 3.8680 8.2677 119.9133 57.7149 41.4810 179.4471 15 A 3.9167 8.2136 120.6255 54.9805 18.2599 179.6032 16 A 3.8760 8.0839 119.1820 55.1378 18.3646 179.6543 17 A 3.8286 8.2118 119.6847 55.3029 18.3892 179.7613 18 E 3.7121 8.2787 117.1847 59.4059 29.5977 179.2200 19 Q 3.8777 7.9943 119.5198 59.3095 29.1199 178.4969 20 L 3.9326 7.7827 119.8269 57.8952 41.5674 179.6720 21 I 3.4932 7.9289 119.8270 63.9326 36.6799 178.1139 22 A 3.8918 7.9702 121.2939 55.4720 18.2952 179.3305 23 E 4.1610 7.7752 114.8903 58.7997 29.6587 178.6301 24 S 4.4171 7.7319 110.2732 58.4486 66.9100 175.0939 25 G 4.1520 8.4852 106.8673 45.5194 0.0000 175.0719 26 F 4.0230 8.8441 118.5744 60.5997 39.0889 178.2297 27 Q 4.0666 8.2832 117.6939 58.6731 28.7733 178.0945 28 G 3.6489 7.6462 106.8537 47.9401 0.0000 174.2592 29 L 3.9204 7.3640 121.8290 55.4124 43.0297 176.2605 30 S 4.8229 8.2441 121.4205 57.4625 64.3099 173.7868 *32 Q 4.2036 8.8114 118.2288 56.8786 30.6566 178.9993 33 K 4.0391 7.8378 121.9566 59.4787 31.5664 180.5464 34 L 4.0508 8.2493 121.4766 57.9714 41.5405 178.7306 35 A 3.9563 7.9735 120.0703 55.5304 18.1066 179.0572 36 N 4.2617 7.9336 113.2277 56.6367 38.7329 177.0984 37 E 4.0229 8.4458 119.5541 58.6050 29.8012 177.9102 38 A 4.2670 8.0024 119.3284 51.3759 20.3740 176.2928 39 G 3.5742 8.0816 104.3838 44.3587 0.0000 173.7801 40 V 4.1051 6.8711 112.8945 61.9583 34.9875 171.8157 41 A 4.1778 8.1639 128.8898 51.7512 19.1676 178.1217 42 A 4.0432 8.9369 123.5774 55.4451 19.0259 180.4798 43 G 3.8865 8.4175 104.2528 49.1802 0.0000 175.6051 44 T 4.0189 8.0873 117.0801 66.4817 68.9790 176.5804 45 I 3.8512 7.6897 122.3023 64.6076 37.1337 177.6254 46 Y 4.8747 7.4025 115.0683 59.4545 37.7940 176.8233 47 R 4.1190 7.8848 117.9526 57.3993 30.4681 176.5917 48 Y 4.2792 7.7131 113.4481 57.6509 40.5397 175.8694 49 F 4.9840 8.2522 118.0833 55.5205 42.8778 175.9368 50 S 4.3151 9.0712 119.9696 61.1808 63.5187 173.6891 51 D 4.7251 7.6946 118.9482 51.4829 42.6058 176.1533 52 K 3.9185 8.4591 119.3335 59.9138 32.0739 178.2827 53 E 4.0956 8.2913 118.2765 59.7235 29.4000 179.0014 54 H 4.1750 9.0169 116.6592 58.5506 28.7333 177.3960 55 L 3.4892 8.0770 122.1729 58.2339 41.8526 179.0493 56 L 4.0360 8.3518 119.1033 57.8261 41.5178 179.2307 57 E 3.9741 8.2359 119.2436 59.3792 29.5199 178.7601 58 E 4.0868 8.4411 118.6959 59.1865 29.4002 179.3868 59 V 3.5739 8.1225 118.7573 66.1391 31.5758 178.1442 60 R 4.0614 8.2209 117.6577 59.5564 29.9127 179.1335 61 L 4.0822 8.0240 118.6201 57.7085 41.5587 179.1284 62 N 4.3091 8.5406 117.3817 56.5463 38.8935 177.0633 63 V 3.5706 8.2082 119.8453 65.9672 31.6018 177.7251 64 A 4.1074 8.2223 120.4544 55.1733 18.2479 179.4027 65 K 3.7490 8.2244 118.1067 59.8797 32.2705 179.2422 66 R 3.9288 8.2297 118.3321 59.0456 29.8371 179.1189 67 I 3.7024 8.2637 119.9379 64.3395 37.1629 178.1682 68 A 3.5044 8.2062 121.9507 55.1266 17.8132 179.6582 69 S 3.9096 7.8497 110.1185 61.2867 62.6142 175.7742 70 A 4.1128 7.9836 123.5105 55.3610 17.9246 179.8546 71 V 3.5604 7.9465 115.6404 65.4265 31.8273 177.2452 72 Q 4.4410 7.8468 115.3194 54.2055 28.9181 175.1486 73 A 4.0757 7.1034 124.7351 53.5448 18.7171 178.1440 74 G 3.8446 8.8144 110.3931 46.0877 0.0000 172.9252 75 V 4.1469 7.4553 119.1001 60.8048 32.4391 174.6469 76 N 4.9855 8.4755 125.3970 51.5991 40.7341 174.0869 77 D 4.4930 8.7665 125.4006 57.0303 41.6860 176.8825 78 D 4.5584 8.4766 121.5944 52.5425 39.5324 174.5311 *80 P 4.2425 0.0000 0.0000 61.6806 34.4553 176.9384 81 L 4.0863 8.4656 120.6763 58.5082 41.6141 180.1676 82 K 3.6183 8.0394 118.3628 59.1225 32.0694 178.5984 83 E 3.9658 8.0777 118.8045 59.3148 29.2275 179.2435 84 R 3.9924 7.9559 117.2272 59.2722 30.2157 177.9658 85 Y 4.6276 8.1754 118.3147 61.1394 39.1078 178.1126 86 R 4.1174 8.5137 119.0139 59.6680 30.1596 179.6770 87 T 4.0756 7.7986 111.1262 64.3924 68.1582 175.6985 *89 W 4.7283 7.8866 132.6555 57.5236 32.5910 177.4828 90 L 4.3994 8.4063 118.2781 57.8753 40.7147 179.1993 91 N 4.4180 8.5110 116.3204 56.3284 38.7783 177.1774 92 I 3.8003 7.6630 120.7172 64.0508 36.9848 177.9008 93 W 4.0681 8.2815 129.2592 60.7044 30.3126 177.4455 94 N 4.5369 8.3296 114.1158 55.1897 38.3699 177.0603 95 L 4.0599 7.7461 120.2353 56.1148 41.7100 177.1508 96 A 3.9137 6.7915 121.4756 53.7847 18.5297 177.8652 97 G 3.8125 8.7576 110.0443 45.9459 0.0000 174.2614 98 S 4.4898 7.8184 115.6279 57.2118 65.6407 174.5988 99 N 4.2652 8.5068 120.1910 56.6990 38.6305 176.8514 100 L 3.9667 7.8229 119.9094 57.9737 41.7322 179.0787 101 N 4.3482 7.9219 116.2168 56.1878 38.2254 177.2634 102 A 3.9299 7.7557 121.1398 55.3443 18.8733 179.5116 103 I 3.7494 7.9030 118.3128 64.3483 37.1705 178.6828 104 S 4.1754 8.5564 114.4578 61.6114 62.1203 175.9229 105 N 4.4039 8.7565 118.6454 56.1440 38.2863 176.8058 106 R 4.3194 7.6584 118.4878 57.2013 30.2775 176.3382 107 V 2.9117 7.3812 118.7447 63.0675 31.6868 176.4468 108 Q 4.2725 7.6845 129.0913 53.8823 27.3535 175.5942 109 Y 4.3081 7.4978 119.5413 61.0154 38.4814 178.6679 110 D 4.3669 8.1593 117.5003 56.2468 41.4393 176.3100 111 S 4.5260 8.0992 111.9630 58.5580 63.2742 174.1883 112 L 4.2030 7.1640 119.6813 53.9139 42.0916 175.5104 113 P 4.5044 0.0000 0.0000 62.2921 33.2385 177.5182 114 C 4.0649 8.4638 118.9187 62.8695 31.6024 175.3477 115 T 3.8391 7.9283 114.1950 65.6456 66.8636 175.8856 116 T 3.9096 8.0167 119.2094 67.3192 68.6700 177.1019 117 R 4.0370 8.4518 123.0137 62.0886 29.3028 180.3092 118 N 4.7306 8.5339 117.4658 55.5803 38.5192 177.4616 119 K 3.9174 8.0555 121.0528 59.9368 32.3381 178.6471 120 T 3.9470 8.3578 116.1733 66.5657 68.4732 176.2011 121 W 4.3727 8.3131 129.9046 60.5836 30.5167 177.5160 122 E 3.7481 8.2568 117.8604 59.2794 28.9635 178.3644 123 L 4.1277 8.1143 119.0548 57.9680 41.4590 179.4625 124 E 4.0772 8.0409 117.4676 59.3017 29.4607 178.8377 125 R 3.8995 7.4211 117.9651 58.9520 30.6026 178.6896 126 K 4.2346 7.3640 118.3159 56.0634 30.9450 177.0670 *128 F 4.5626 7.8718 111.7863 56.9166 40.9205 177.9066 129 A 4.0727 8.2485 124.5114 55.7147 18.1460 179.7393 130 Q 4.0069 8.2004 115.9104 58.8448 28.8058 179.1638 131 V 3.5603 7.9653 119.0408 66.1040 31.7194 177.5754 132 D 4.6034 8.3005 118.6595 57.6754 40.6112 179.1477 133 R 4.0851 8.2842 118.5486 58.8550 30.0103 178.6017 134 L 4.0403 7.9409 120.2972 58.5600 42.0936 179.2592 135 F 4.8123 8.0171 117.2130 60.7801 38.7987 177.5590 136 N 4.4852 8.9600 116.7217 56.3443 38.3472 177.3183 137 Q 4.2289 8.5810 121.3018 59.2227 29.1953 178.4776 138 G 3.0482 8.4425 106.8349 47.4262 0.0000 175.9054 139 K 4.0901 8.5020 120.8498 59.4593 31.8797 179.3594 140 E 4.0684 8.2281 117.9762 58.9584 29.4389 178.2579 141 E 4.3669 8.0962 116.1269 55.8162 29.7696 177.3364 142 G 3.8742 7.7938 107.2047 45.8925 0.0000 175.1382 143 V 3.6071 7.8399 121.0847 64.9213 31.7799 176.2191 144 F 5.3808 7.2800 116.2829 55.6314 40.2809 175.8155 145 K 3.9679 8.5187 123.9293 56.5064 32.8939 176.1324 146 P 4.6072 0.0000 0.0000 61.8678 30.2183 174.9957 147 L 4.7088 7.0588 118.6146 52.9003 45.2300 177.0490 148 D 4.4354 8.3396 118.9699 54.7896 42.8859 177.0647 149 N 4.0410 8.7752 122.2922 56.6912 38.6049 177.5555 150 E 3.9848 8.5963 119.8499 59.0910 29.4215 179.6465 151 V 3.4932 7.4708 117.9288 65.9484 31.5448 177.7763 152 L 3.5602 7.3579 117.3835 57.6474 41.5727 179.3173 153 S 4.4816 7.8353 113.1158 61.5062 62.2285 176.2310 154 G 3.7852 7.8728 106.9352 48.0726 0.0000 175.1215 155 L 4.2668 8.0215 119.9412 56.8983 41.9750 176.5027 156 S 4.7096 8.1319 111.1835 58.3745 66.1244 175.7608 157 F 4.5641 8.0654 119.0758 60.1951 39.1579 177.4627 158 E 4.0911 8.4389 116.9780 58.9297 29.2246 179.0208 159 A 4.1194 8.6506 121.8084 54.9076 18.4619 179.4796 160 S 3.3316 7.7822 111.2553 61.2662 62.2380 176.3668 161 V 3.4589 7.4786 120.2231 65.8729 31.2177 177.8775 162 A 3.9650 8.0109 120.2944 55.2078 18.3540 179.5247 163 L 4.0739 8.0583 117.2428 57.9817 41.8101 179.5828 164 A 2.7127 8.4117 120.9248 54.8617 18.2210 179.6040 165 R 3.7171 8.0905 117.3697 59.5155 30.1290 178.8908 166 K 4.0680 7.9102 117.9044 59.7264 32.0926 178.8903 167 H 4.4646 8.5697 119.7041 58.6291 29.5912 177.1751 168 A 3.9354 8.0630 121.7454 54.2925 18.2908 178.7025 169 L 3.9128 7.4505 115.6905 54.7302 40.8926 178.0359 170 G 3.9187 7.6587 107.5373 45.5016 0.0000 175.4720 171 F 4.7775 7.9821 118.2782 59.9687 38.9795 174.8229 172 Y 4.7486 7.4220 119.5992 56.7197 41.9035 172.6236 173 Q 4.5994 6.6248 123.8190 53.7142 30.9056 174.8295 174 L 4.5749 8.4546 124.9358 52.8065 43.6475 176.1390 175 D 4.7251 8.3661 126.7605 52.8224 41.8497 176.7453 176 D 4.2762 8.4243 118.4758 57.6215 40.7364 178.5435 177 D 4.2919 8.1398 118.6926 57.3656 40.7387 178.7370 178 A 3.9746 8.2732 121.2910 54.8979 18.4134 179.4039 179 L 3.6749 7.9033 118.8559 58.2818 42.1272 179.0329 180 E 3.7150 8.2352 118.4082 59.3537 29.3233 179.2164 181 A 3.9482 8.2631 120.8071 55.0581 18.3598 179.6015 182 A 3.9626 7.9971 119.4563 55.2208 18.5016 179.9038 183 I 2.7141 7.2545 118.3093 64.2760 37.0369 178.5649 184 E 3.9654 8.0269 119.1907 59.2698 29.0337 179.2804 185 A 4.1008 8.0687 120.4917 55.1259 18.6217 179.5749 186 S 4.3668 8.4652 112.9492 61.2510 63.1762 176.5773 187 W 3.9084 8.3345 132.0917 60.3324 30.1901 177.5301 188 D 4.4521 8.1171 117.8720 57.3952 40.2812 178.3688 189 A 4.1218 7.5549 120.9005 54.7113 18.6721 178.9190 190 I 3.8867 7.3785 109.6204 60.6016 38.4109 175.4095 191 I 4.5497 6.3909 114.1427 59.7234 38.9213 176.0435 192 K 4.2376 8.3214 123.0892 56.6932 32.9741 177.0232 193 H 4.5111 8.4780 118.5726 56.0288 29.1035 173.6503 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 8 D 8.36 4.66 0.00 3.02 2.91 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 9 K 8.29 3.83 0.00 1.18 1.64 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.51 7.81 10 R 8.28 3.53 0.00 1.82 1.96 0.00 3.12 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 11 D 8.00 4.34 0.00 2.69 2.68 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 12 Q 7.93 3.90 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 13 I 7.94 3.68 2.11 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 0.90 0.00 0.00 14 L 8.27 3.87 0.00 1.82 1.70 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.21 3.92 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 16 A 8.08 3.88 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 17 A 8.21 3.83 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 18 E 8.28 3.71 0.00 2.08 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 2.25 2.31 0.00 19 Q 7.99 3.88 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 20 L 7.78 3.93 0.00 1.80 1.61 0.91 0.91 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 21 I 7.93 3.49 1.57 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 -0.07 0.00 0.00 22 A 7.97 3.89 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 23 E 7.78 4.16 0.00 2.07 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 2.30 2.41 0.00 24 S 7.73 4.42 0.00 3.85 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 25 G 8.49 4.15 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 0.00 0.00 0.00 26 F 8.84 4.02 0.00 3.09 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 27 Q 8.28 4.07 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 28 G 7.65 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 29 L 7.36 3.92 0.00 1.51 1.58 0.83 0.75 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 30 S 8.24 4.82 0.00 3.86 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 *32 Q 8.81 4.20 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 33 K 7.84 4.04 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 34 L 8.25 4.05 0.00 1.74 1.63 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.97 3.96 1.37 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 0.00 0.00 0.00 36 N 7.93 4.26 0.00 2.84 2.89 0.00 0.00 7.10 6.94 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 37 E 8.45 4.02 0.00 1.95 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 0.00 2.44 2.32 0.00 38 A 8.00 4.27 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 39 G 8.08 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 6.87 4.11 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 0.73 0.00 0.00 0.93 0.00 0.00 41 A 8.16 4.18 1.30 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 42 A 8.94 4.04 1.41 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 0.00 0.00 0.00 43 G 8.42 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 44 T 8.09 4.02 4.42 0.00 0.00 0.00 0.00 0.00 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 45 I 7.69 3.85 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.86 0.76 0.00 0.00 46 Y 7.40 4.87 0.00 3.26 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 47 R 7.88 4.12 0.00 1.79 1.64 0.00 3.03 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 48 Y 7.71 4.28 0.00 2.54 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 0.00 0.00 0.00 0.00 49 F 8.25 4.98 0.00 3.03 2.92 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 50 S 9.07 4.32 0.00 4.00 3.99 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 51 D 7.69 4.73 0.00 3.12 2.93 0.00 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0.00 68 A 8.21 3.50 0.48 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 69 S 7.85 3.91 0.00 3.81 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 70 A 7.98 4.11 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 71 V 7.95 3.56 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 0.77 0.00 0.00 1.03 0.00 0.00 72 Q 7.85 4.44 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 73 A 7.10 4.08 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 74 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 75 V 7.46 4.15 2.21 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 0.80 0.00 0.00 0.96 0.00 0.00 76 N 8.48 4.99 0.00 2.68 2.67 0.00 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129 A 8.25 4.07 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 0.00 130 Q 8.20 4.01 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 131 V 7.97 3.56 2.41 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 1.30 0.00 0.00 1.00 0.00 0.00 132 D 8.30 4.60 0.00 2.97 2.80 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 0.00 133 R 8.28 4.09 0.00 2.04 2.02 0.00 3.17 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 134 L 7.94 4.04 0.00 1.81 1.72 1.22 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.02 4.81 0.00 3.32 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 0.00 136 N 8.96 4.49 0.00 2.86 3.12 0.00 0.00 6.66 7.88 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 0.00 137 Q 8.58 4.23 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 138 G 8.44 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 0.00 0.00 0.00 139 K 8.50 4.09 0.00 2.05 1.93 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.71 1.86 7.81 140 E 8.23 4.07 0.00 2.13 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 0.00 2.37 2.41 0.00 141 E 8.10 4.37 0.00 1.84 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 2.29 2.45 0.00 142 G 7.79 3.87 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 0.00 0.00 0.00 143 V 7.84 3.61 1.58 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 0.56 0.00 0.00 0.80 0.00 0.00 144 F 7.28 5.38 0.00 3.05 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 0.00 145 K 8.52 3.97 0.00 1.64 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.58 7.81 146 P 0.00 4.61 0.00 2.17 2.09 0.00 3.70 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 1.95 1.97 0.00 147 L 7.06 4.71 0.00 1.50 1.51 0.83 1.07 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 0.00 148 D 8.34 4.44 0.00 2.76 2.51 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 0.00 149 N 8.78 4.04 0.00 2.90 3.00 0.00 0.00 7.03 7.66 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 0.00 150 E 8.60 3.98 0.00 2.13 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 2.47 2.61 0.00 151 V 7.47 3.49 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 1.05 0.00 0.00 0.88 0.00 0.00 152 L 7.36 3.56 0.00 0.37 0.45 0.59 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.84 4.48 0.00 4.16 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 0.00 154 G 7.87 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 0.00 0.00 0.00 155 L 8.02 4.27 0.00 1.67 1.68 0.80 0.88 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 0.00 156 S 8.13 4.71 0.00 4.13 3.87 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 0.00 157 F 8.07 4.56 0.00 3.21 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 0.00 158 E 8.44 4.09 0.00 2.18 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 2.66 2.36 0.00 159 A 8.65 4.12 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 160 S 7.78 3.33 0.00 2.72 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 0.00 161 V 7.48 3.46 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 1.03 0.00 0.00 0.96 0.00 0.00 162 A 8.01 3.96 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 0.00 163 L 8.06 4.07 0.00 2.17 2.27 1.35 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.41 2.71 0.98 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 0.00 165 R 8.09 3.72 0.00 1.85 2.10 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 166 K 7.91 4.07 0.00 2.09 2.09 0.00 1.93 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.77 1.71 7.81 167 H 8.57 4.46 0.00 3.33 3.03 0.00 5.63 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 0.00 168 A 8.06 3.94 1.14 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 0.00 0.00 0.00 0.00 0.00 169 L 7.45 3.91 0.00 1.08 0.40 0.62 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.66 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 0.00 171 F 7.98 4.78 0.00 3.26 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 0.00 172 Y 7.42 4.75 0.00 3.34 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 0.00 173 Q 6.62 4.60 0.00 1.74 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 174 L 8.45 4.57 0.00 1.83 1.66 1.35 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.37 4.73 0.00 2.92 2.82 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 0.00 176 D 8.42 4.28 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.14 4.29 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 A 8.27 3.97 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 0.00 179 L 7.90 3.67 0.00 1.63 1.65 0.07 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.24 3.71 0.00 2.07 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 2.40 2.39 0.00 181 A 8.26 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 0.00 182 A 8.00 3.96 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 183 I 7.25 2.71 1.54 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.33 0.56 0.00 0.00 184 E 8.03 3.97 0.00 2.11 2.00 0.00 0.00 0.00 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 2.40 0.00 185 A 8.07 4.10 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 0.00 186 S 8.47 4.37 0.00 4.47 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 W 8.33 3.91 0.00 3.28 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 0.00 188 D 8.12 4.45 0.00 3.02 2.79 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 0.00 189 A 7.55 4.12 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 0.00 190 I 7.38 3.89 1.21 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.64 0.00 0.00 191 I 6.39 4.55 1.56 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 1.05 0.18 -0.25 0.00 0.00 192 K 8.32 4.24 0.00 1.61 1.73 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 193 H 8.48 4.51 0.00 2.98 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.87 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.