NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9563 8.2133 109.7345 45.8246 0.0000 175.2763 4 Q 3.6571 7.7626 119.5056 56.3003 29.0305 176.0219 5 L 3.8453 7.6707 122.2204 58.3519 42.3886 177.9881 6 T 3.7249 7.8762 112.1542 65.7165 67.4000 176.1971 7 K 4.0737 7.7581 119.0904 59.2282 31.9986 179.1138 8 Q 3.9428 8.8768 121.3415 59.4109 29.0033 177.9806 9 H 4.2441 7.9052 116.8814 58.5392 28.9698 177.6397 10 V 3.5628 7.8077 120.1391 66.2731 31.4201 178.4235 11 R 3.8746 7.9142 117.0518 59.0931 29.5263 178.6171 12 A 3.9716 8.0713 120.6177 55.3228 18.2031 179.8167 13 L 3.8163 7.6192 116.4292 57.6986 41.7176 179.3087 14 A 3.9944 7.7156 120.3712 55.3318 18.0359 179.7527 15 I 3.5921 7.6989 118.2031 64.3852 36.9019 178.3338 16 S 4.0743 7.4530 111.4782 61.6685 62.3004 175.9253 17 A 4.1810 7.8015 121.9816 54.9603 18.1695 179.3328 18 L 4.0371 8.5356 116.9870 57.0964 43.2219 177.1086 19 A 3.6199 9.4377 118.9310 52.1958 15.6729 175.2542 20 P 4.4803 0.0000 0.0000 61.7767 32.7602 176.5899 21 K 4.6337 8.0686 117.7658 53.3150 35.1937 174.3622 22 P 4.2722 0.0000 0.0000 64.9599 31.1960 175.7672 23 H 4.8127 8.5052 117.4556 56.5760 26.2427 173.8306 24 E 4.6545 8.0702 120.4666 55.6021 31.3717 175.0680 25 T 4.9778 8.4981 122.2453 62.7421 70.5723 173.2406 26 L 5.1015 8.4924 127.2824 52.0656 45.1553 175.1273 27 W 5.2887 8.6623 125.3377 55.3560 31.5399 174.4354 28 D 5.2347 9.1811 127.1936 52.3418 40.7681 176.6377 29 I 4.1420 8.3887 131.1525 61.8403 36.7473 178.5726 *33 S 4.3172 8.4170 117.7448 57.1378 64.9480 174.3596 34 G 4.1009 8.5967 107.7879 45.2065 0.0000 175.2990 35 S 4.1217 7.9191 116.0742 62.0518 62.9932 176.8423 36 I 3.8728 7.8324 119.4686 63.6195 37.0247 177.6176 37 A 4.0916 8.0736 120.8060 55.6673 18.3951 179.1236 38 I 3.7922 7.8962 117.2848 64.7850 37.3511 177.9923 39 E 3.9035 8.7179 119.8227 59.5150 29.3012 178.7307 40 W 4.3651 8.9600 127.5577 60.6261 30.8704 177.2447 41 L 4.2755 8.4736 116.9647 55.8840 41.4206 178.5098 42 R 4.2407 7.5446 118.4546 58.2919 30.6321 178.6082 43 S 4.2803 7.5980 111.1142 58.9467 63.4777 174.0092 *46 Q 4.2094 7.9541 116.3024 57.0828 29.1052 174.9137 47 T 4.9801 7.7035 108.3339 60.6657 71.7623 174.4987 48 T 5.0550 8.8841 111.3957 60.0342 72.8742 172.5281 49 A 5.2064 8.6849 122.8329 50.3567 23.1027 175.1625 50 V 4.5953 9.3575 122.0570 61.3373 33.8972 174.0906 51 C 5.1395 8.7382 126.1847 58.3882 30.3495 172.6548 52 F 5.0488 8.7999 121.7038 54.7496 41.0172 174.9266 53 E 4.3753 8.7310 124.5843 54.6756 31.8280 175.5187 54 I 3.5008 8.8088 129.0953 64.6196 37.4589 176.8945 55 S 4.3157 8.0871 115.3147 57.3923 62.5021 174.0516 56 E 3.9161 8.7825 130.1618 59.8028 29.1191 179.0097 57 E 4.2480 8.0705 116.8841 58.5472 30.0833 178.0519 58 R 4.2283 7.5983 116.6514 58.4587 30.3988 177.9823 59 R 3.7916 8.8257 119.5744 59.7080 29.8213 178.0914 60 E 3.8677 8.9199 118.2689 59.8086 29.4829 180.1080 61 R 4.0083 7.6307 117.8820 59.1076 30.3224 179.0187 62 I 3.7165 8.2075 120.1131 64.1464 36.9990 178.2939 63 L 3.9401 7.8467 120.8544 57.9391 41.9201 178.3172 64 S 4.0744 7.7261 113.2804 61.8898 62.2292 176.2050 65 N 4.2944 8.4372 118.4912 56.3096 38.2895 177.1672 66 A 4.0775 8.5424 122.4512 55.3375 18.1413 179.8152 67 I 3.6388 7.8226 117.2749 64.5883 37.3923 177.7323 68 N 4.3643 8.1052 116.4280 56.6235 38.5178 177.1382 69 L 4.1812 8.0945 118.9268 58.4170 42.8202 178.2720 70 G 4.2342 7.7807 106.7116 46.8299 0.0000 173.7955 71 V 4.5260 7.5727 112.9482 62.2992 33.1461 177.6074 72 S 4.1105 8.3134 115.0911 61.3871 63.3949 175.1978 73 D 4.7295 8.0430 117.9083 54.3881 40.2888 176.7364 74 R 4.6108 8.2107 118.9979 55.8470 32.5345 175.2779 75 I 4.7385 7.5825 118.8161 59.0341 40.2459 174.8909 76 A 4.4814 8.5731 129.9147 49.9764 21.3794 175.7389 77 V 3.8828 8.2774 122.8043 63.2489 31.9107 175.9222 78 Q 4.1013 9.1371 129.3007 55.2733 30.8918 175.2974 79 Q 5.1946 7.4402 117.9454 54.4479 31.9325 176.0157 80 G 3.6333 8.5803 107.9068 46.2384 0.0000 173.3997 81 A 4.1303 7.9989 125.3102 50.5473 19.7975 175.7461 82 P 3.8591 0.0000 0.0000 62.8527 32.4824 178.3857 83 R 3.8666 8.1406 119.1329 59.8250 29.7541 177.7968 84 A 4.3719 8.0355 121.0173 53.8954 18.2582 179.2468 85 F 4.2277 7.7814 117.1728 61.2364 38.8717 177.3787 86 D 4.5244 7.7440 114.0727 57.2072 40.6403 177.6690 87 D 4.7561 8.3429 120.0570 56.6237 40.6896 176.8895 88 V 3.7996 7.5007 125.7924 62.3750 30.3684 174.7132 89 P 4.2671 0.0000 0.0000 63.9822 31.7529 176.2110 90 D 4.7735 7.4907 120.0889 52.9824 41.7364 176.0620 91 N 4.2755 8.5357 122.3336 52.1923 39.2831 173.3201 92 P 4.1421 0.0000 0.0000 62.6639 32.0616 175.6005 93 D 4.6260 8.2168 118.2407 54.8995 43.4713 176.3848 94 V 4.5397 7.4300 118.9803 61.4255 35.1938 173.5535 95 I 4.9857 8.2395 128.3342 59.6833 39.7144 174.2730 96 F 5.5114 9.0984 128.4434 56.5576 42.2119 173.9236 97 I 4.0991 8.3500 127.2900 59.9060 38.0951 176.1878 98 G 3.5783 7.9498 116.3332 45.9213 0.0000 173.0155 99 G 3.7220 7.0655 108.7212 44.8004 0.0000 172.7831 100 G 3.7184 8.4708 108.5024 45.1166 0.0000 174.3369 101 L 4.3526 8.4484 126.2672 56.6356 41.1666 177.7336 102 T 4.1480 7.7386 108.3635 62.3416 69.5862 174.9626 103 A 3.9873 7.3126 125.7593 51.7959 18.9651 175.5640 104 P 4.1650 0.0000 0.0000 64.2253 32.0051 178.1024 105 G 4.0922 9.0725 109.6142 46.5293 0.0000 175.7108 106 V 3.6957 7.9142 119.6439 66.0965 31.5308 177.6087 107 F 4.1669 8.3043 119.4335 61.2810 39.3338 176.5793 108 A 3.8506 8.3049 119.6448 55.3037 18.0223 179.2376 109 A 3.9403 7.7539 117.0789 54.7043 18.7161 178.7802 110 A 3.7067 7.1828 116.9187 53.1196 19.9784 179.0004 111 W 3.7111 7.4633 126.7321 59.8641 30.2897 178.0919 112 K 3.9751 7.4244 119.0726 59.1535 31.7368 178.2342 113 R 4.1184 7.2033 115.7139 55.7555 30.2489 175.8785 114 L 4.0383 6.3892 120.9125 52.5927 42.4874 174.5958 115 P 4.2080 0.0000 0.0000 62.6660 32.3588 175.9152 116 V 3.5881 8.0360 121.3783 64.6140 31.6789 176.5311 117 G 3.9139 8.9064 115.2011 45.1842 0.0000 174.0883 118 G 3.6473 7.5967 107.9712 46.3339 0.0000 173.5777 119 R 5.1200 8.2589 121.5561 54.5140 33.8405 174.9092 120 L 4.8727 8.3283 121.6580 54.0525 46.0500 174.1530 121 V 4.8069 8.7819 126.3932 61.0874 33.7042 173.9406 122 A 5.2393 10.3446 129.4524 50.2110 21.8798 174.2457 123 N 5.4056 9.1136 120.0882 51.4652 40.8957 174.4155 124 A 4.8023 9.1615 125.1905 49.7180 22.2563 176.6509 125 V 4.4316 8.4778 121.7104 60.7091 32.5568 175.6004 126 T 4.7671 7.9004 109.8868 59.6453 73.1838 174.3691 127 V 3.5529 8.2040 120.2194 66.3607 31.4051 177.4302 128 E 3.9517 8.2272 116.4620 59.8567 29.4236 179.1385 129 S 4.2269 7.9433 113.1558 61.5567 63.0120 175.8400 130 E 4.0425 8.1613 122.1384 58.9004 29.5111 179.2903 131 Q 4.3163 7.9711 116.1144 56.3915 28.4861 177.8408 *133 L 3.8534 7.9687 124.0221 54.5522 44.0919 178.5785 134 W 3.9525 7.4808 118.3028 58.9229 28.7710 178.4548 135 A 3.8856 7.7175 120.5882 54.9608 17.8010 179.5468 136 L 3.6861 7.1732 117.0297 57.5765 41.6169 179.2881 137 R 3.9559 6.3115 119.7739 58.5145 29.6409 178.4176 138 K 3.8425 7.4533 117.9460 59.4401 32.2599 178.3688 139 Q 3.7213 7.1760 118.2543 58.8753 29.0881 177.3172 140 F 4.8627 7.9308 116.0751 58.8921 40.4736 176.7733 141 G 3.9729 8.6463 105.2473 46.4199 0.0000 172.7200 142 G 4.5059 9.0104 110.4491 45.0062 0.0000 171.7576 143 T 4.8529 9.1897 114.3117 61.7743 72.2319 173.4729 144 I 4.9187 8.4948 125.9818 59.7696 39.2553 175.0872 145 S 4.9012 8.5697 122.1924 56.7481 67.2556 173.0764 146 S 5.0772 7.7687 114.2118 56.1395 66.3537 173.1563 147 F 4.8242 8.5171 119.6912 55.9398 41.8173 174.1810 148 A 4.8071 8.8370 126.6189 50.5688 18.8878 174.3880 149 I 4.2521 8.0181 121.1801 60.7051 39.3428 175.1103 150 S 5.4636 8.3575 121.3321 56.1477 67.3207 172.2810 151 H 5.2668 8.4534 116.3507 53.9236 32.8169 173.5357 152 E 4.2914 8.8536 119.8000 56.9418 30.3311 175.7232 153 H 4.7347 9.7148 123.8219 54.8978 32.9857 173.1360 154 T 5.6351 7.9067 122.0861 61.9851 71.8056 177.0320 *156 G 3.9954 8.3577 112.3535 45.8405 0.0000 174.6281 157 S 4.4085 9.0938 116.8267 58.2933 63.7326 173.8213 158 F 5.5133 7.7367 119.0536 56.1461 42.2616 173.8930 159 I 5.1061 8.2657 123.4637 60.4374 40.3951 174.1205 160 T 4.5863 8.2436 115.6436 61.4303 72.9711 176.4088 *162 K 4.3153 9.0040 126.1918 55.3429 33.3193 171.2250 163 P 5.0696 0.0000 0.0000 61.8198 31.7745 176.6599 164 A 4.4265 8.8983 127.5838 51.0063 19.6161 176.9721 165 L 4.1334 8.3443 119.0952 54.3769 42.2682 175.7015 166 P 4.7433 0.0000 0.0000 62.4534 32.4507 175.6599 167 V 4.5372 8.2426 122.9258 61.7486 33.7512 174.0469 168 H 5.0239 9.0422 125.5487 54.6527 30.3243 173.7405 169 Q 5.0850 8.9265 125.8835 54.2046 30.9351 173.8243 170 W 5.2889 10.0409 135.0000 56.5714 32.6108 174.8828 171 T 5.5034 9.2661 123.5543 60.6890 71.6097 173.4041 172 V 4.7386 7.6936 123.9280 60.1241 35.1995 173.6993 173 V 4.6335 8.2499 122.0445 60.9411 33.6659 175.0606 174 K 4.2093 8.7888 129.3152 56.2367 33.1737 176.8143 175 A 4.3645 8.7958 129.1810 52.3430 19.2313 176.2715 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 3 G 8.21 3.96 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 0.00 0.00 0.00 4 Q 7.76 3.66 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 5 L 7.67 3.85 0.00 1.63 1.54 0.90 0.66 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 6 T 7.88 3.72 4.19 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 1.26 0.00 0.00 7 K 7.76 4.07 0.00 2.04 1.86 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.62 7.81 8 Q 8.88 3.94 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 9 H 7.91 4.24 0.00 3.36 3.31 0.00 5.68 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 10 V 7.81 3.56 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 1.11 0.00 0.00 1.05 0.00 0.00 11 R 7.91 3.87 0.00 1.94 2.37 0.00 3.20 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 12 A 8.07 3.97 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 13 L 7.62 3.82 0.00 1.58 1.18 0.39 0.48 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 14 A 7.72 3.99 1.07 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 0.00 0.00 15 I 7.70 3.59 1.96 0.00 0.00 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 1.35 1.21 0.87 0.00 0.00 16 S 7.45 4.07 0.00 4.00 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 17 A 7.80 4.18 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 18 L 8.54 4.04 0.00 1.85 2.05 0.76 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 A 9.44 3.62 1.42 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 0.00 0.00 0.00 20 P 0.00 4.48 0.00 1.53 0.49 0.00 3.50 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 21 K 8.07 4.63 0.00 2.17 1.67 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.36 7.81 22 P 0.00 4.27 0.00 2.32 2.06 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 23 H 8.51 4.81 0.00 3.36 3.50 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.07 4.65 0.00 2.45 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 0.00 2.37 2.36 0.00 25 T 8.50 4.98 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 1.33 0.00 0.00 26 L 8.49 5.10 0.00 0.27 0.33 0.42 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 27 W 8.66 5.29 0.00 3.23 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.18 5.23 0.00 2.89 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 29 I 8.39 4.14 2.11 0.00 0.00 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 1.31 0.82 0.93 0.00 0.00 *33 S 8.42 4.32 0.00 4.02 4.08 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 34 G 8.60 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 0.00 0.00 0.00 35 S 7.92 4.12 0.00 4.09 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 36 I 7.83 3.87 2.04 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.76 0.53 0.00 0.00 37 A 8.07 4.09 1.42 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 0.00 0.00 0.00 38 I 7.90 3.79 2.19 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 0.71 0.98 0.00 0.00 39 E 8.72 3.90 0.00 2.24 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 2.29 2.31 0.00 40 W 8.96 4.37 0.00 3.30 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 41 L 8.47 4.28 0.00 1.99 1.74 1.02 1.25 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 42 R 7.54 4.24 0.00 1.80 1.89 0.00 3.23 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 43 S 7.60 4.28 0.00 3.92 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 *46 Q 7.95 4.21 0.00 1.68 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 47 T 7.70 4.98 4.62 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 1.10 0.00 0.00 48 T 8.88 5.06 4.37 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 1.32 0.00 0.00 49 A 8.68 5.21 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 50 V 9.36 4.60 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 0.40 0.00 0.00 1.10 0.00 0.00 51 C 8.74 5.14 0.00 2.80 2.76 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 52 F 8.80 5.05 0.00 2.65 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 53 E 8.73 4.38 0.00 2.03 1.71 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 2.18 2.55 0.00 54 I 8.81 3.50 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.89 0.00 0.00 55 S 8.09 4.32 0.00 3.98 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 56 E 8.78 3.92 0.00 2.03 1.99 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 2.38 2.37 0.00 57 E 8.07 4.25 0.00 1.93 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 2.29 2.45 0.00 58 R 7.60 4.23 0.00 1.93 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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 0.00 109 A 7.75 3.94 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.18 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 7.46 3.71 0.00 2.38 2.52 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 0.00 112 K 7.42 3.98 0.00 1.71 1.90 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.44 7.81 113 R 7.20 4.12 0.00 1.37 1.35 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 114 L 6.39 4.04 0.00 1.29 1.07 0.56 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.21 0.00 1.98 2.00 0.00 3.46 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 116 V 8.04 3.59 1.99 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 134 W 7.48 3.95 0.00 3.47 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 0.00 135 A 7.72 3.89 1.17 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 0.00 0.00 136 L 7.17 3.69 0.00 0.33 1.30 0.51 0.20 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 0.00 137 R 6.31 3.96 0.00 0.96 1.77 0.00 2.84 0.00 0.00 3.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.00 138 K 7.45 3.84 0.00 1.76 1.84 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.38 7.81 139 Q 7.18 3.72 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.56 0.00 0.00 0.00 0.00 0.00 1.16 1.92 0.00 140 F 7.93 4.86 0.00 3.21 3.18 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 0.00 141 G 8.65 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 0.00 0.00 0.00 142 G 9.01 4.51 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 0.00 0.00 0.00 143 T 9.19 4.85 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 1.29 0.00 0.00 144 I 8.49 4.92 1.31 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.20 0.52 0.00 0.00 145 S 8.57 4.90 0.00 3.49 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 0.00 146 S 7.77 5.08 0.00 3.48 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 0.00 147 F 8.52 4.82 0.00 2.98 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 0.00 148 A 8.84 4.81 1.25 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 0.00 0.00 149 I 8.02 4.25 1.92 0.00 0.00 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 1.37 0.55 0.79 0.00 0.00 150 S 8.36 5.46 0.00 3.70 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 H 8.45 5.27 0.00 3.02 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.85 4.29 0.00 2.00 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 2.31 2.34 0.00 153 H 9.71 4.73 0.00 3.22 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.91 5.64 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 1.32 0.00 0.00 *156 G 8.36 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.09 4.41 0.00 3.84 3.81 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 0.00 158 F 7.74 5.51 0.00 3.15 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 0.00 159 I 8.27 5.11 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 0.94 0.00 0.00 160 T 8.24 4.59 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 1.24 0.00 0.00 *162 K 9.00 4.32 0.00 1.88 1.84 0.00 1.51 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.47 7.81 163 P 0.00 5.07 0.00 2.00 2.00 0.00 3.79 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 164 A 8.90 4.43 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 0.00 165 L 8.34 4.13 0.00 1.70 1.67 0.96 1.05 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 0.00 166 P 0.00 4.74 0.00 1.99 2.00 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 167 V 8.24 4.54 2.38 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 1.15 0.00 0.00 1.06 0.00 0.00 168 H 9.04 5.02 0.00 3.31 3.14 0.00 5.83 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Q 8.93 5.09 0.00 2.55 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 170 W 10.04 5.29 0.00 3.08 3.09 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 0.00 171 T 9.27 5.50 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 1.24 0.00 0.00 172 V 7.69 4.74 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 1.25 0.00 0.00 173 V 8.25 4.63 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 0.75 0.00 0.00 0.91 0.00 0.00 174 K 8.79 4.21 0.00 1.30 1.32 0.00 0.61 0.00 0.00 1.08 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 0.70 7.81 175 A 8.80 4.36 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 * Residues marked with a * may have inaccurate shift predictions.