NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 3.9974 8.0544 120.2979 61.7914 32.8989 173.8997 10 T 4.3664 7.6886 114.7472 59.5025 70.8814 173.7750 11 F 4.3173 8.8540 123.9666 59.3231 39.9941 177.1701 12 A 4.1424 7.7800 123.6286 54.1885 18.2350 177.5786 13 E 4.6395 7.8829 116.5021 53.3415 29.3925 174.6395 14 P 4.2896 0.0000 0.0000 65.4800 32.2365 179.0395 15 I 3.3717 7.6633 119.5746 64.0152 37.3821 178.7343 16 E 4.3557 7.7363 119.1548 56.4336 28.7820 179.0867 *18 L 4.1246 8.1271 120.2315 55.0551 43.7226 179.0839 19 Y 4.2130 7.8119 115.8889 60.9798 37.6808 178.5016 20 A 4.0184 8.2615 121.8685 55.3324 18.3832 179.4760 21 C 4.1131 7.9829 114.7640 63.3319 28.1737 175.8468 22 H 4.3174 8.3974 117.9594 58.7972 28.2580 178.0687 23 G 3.5482 8.1736 107.6748 47.5930 0.0000 176.0017 24 K 3.5080 7.6331 120.3269 58.9552 31.9636 179.4980 25 V 3.3845 7.6220 118.6115 66.1137 31.3547 178.2998 26 R 3.9068 8.1182 117.9444 59.0718 29.9335 179.0297 27 R 3.7181 7.7556 118.4005 59.5357 29.9959 178.6954 28 F 4.5348 7.8894 117.6446 60.8203 38.8288 177.4828 29 C 4.4888 8.9054 117.1138 62.8675 27.6765 176.3806 30 G 3.6447 8.1561 106.6142 47.8513 0.0000 175.5470 31 Q 4.1557 7.8434 119.4040 58.7868 28.8609 178.4327 32 V 3.6674 8.0453 118.2033 65.6838 31.6140 178.9146 33 A 4.2201 7.9885 119.1417 51.9952 18.4590 178.3110 *35 L 4.3503 7.9132 123.9492 56.9161 44.1532 179.0390 36 S 4.3549 8.2262 114.0705 61.8897 62.8084 176.3435 37 D 4.4307 8.1600 121.1539 57.3698 40.6534 177.9672 38 Y 3.9215 8.0664 119.6783 60.7615 38.7980 178.0949 39 I 4.0851 8.6935 122.3117 63.7520 36.9775 178.2998 40 A 3.9903 7.9066 120.7689 55.2694 18.3076 179.2898 41 E 4.0202 8.0990 116.0280 58.6580 29.6473 177.7063 42 N 4.5959 8.0652 112.9296 51.9228 40.2518 175.4548 43 G 3.9766 8.3484 104.8342 45.3108 0.0000 172.9934 44 C 4.6363 8.1162 119.9255 58.2173 30.0481 172.9324 45 N 4.8388 7.9087 123.0601 51.4418 40.7128 175.5049 46 Q 4.0651 8.5295 117.8329 59.0494 28.6309 178.7873 47 I 3.6618 7.8436 120.8263 64.1520 37.1244 178.3599 48 V 3.4392 8.3052 119.1392 66.0182 31.4324 178.0652 49 L 3.9365 7.9625 118.6648 57.9017 41.4815 179.6089 50 Q 3.9759 8.3013 118.1382 59.1744 28.6130 178.9937 51 T 3.9961 7.9625 117.0036 66.6603 68.5073 176.9019 52 I 3.2091 7.8904 115.4022 63.4974 37.3452 178.1944 53 R 3.8686 7.8716 120.5757 59.5322 30.0333 178.5909 54 Q 3.9658 7.9680 117.6474 58.8657 28.6278 178.7409 55 I 2.9334 7.8315 120.6805 64.2160 37.1289 178.4229 56 A 4.4343 8.4307 121.6485 55.0679 18.2988 179.4297 57 Q 3.8701 8.2141 118.3110 59.4341 29.1224 177.9283 58 Y 3.5121 7.3955 120.0509 60.7276 38.6141 178.0617 59 F 3.9491 7.4003 116.5298 59.5729 38.8786 177.2254 60 N 4.7110 8.1987 116.2345 54.9181 38.4540 175.8997 61 V 4.0936 7.4149 116.5483 64.3932 33.2760 177.5301 62 A 3.7738 7.2004 119.4293 54.7092 18.3105 179.2285 63 A 3.6138 7.2921 119.6108 54.7794 18.4467 178.0934 64 P 4.1666 0.0000 0.0000 65.6209 31.2601 178.8312 65 L 3.9785 7.3557 117.9607 57.8898 41.4882 178.9567 66 H 4.3314 8.1707 118.2575 59.7002 29.7692 177.0700 67 H 4.2540 8.3978 118.2225 58.7859 28.4951 177.4686 68 E 3.9611 8.3290 121.2162 59.2004 29.4007 178.2743 69 D 4.3520 8.2872 119.2835 57.6071 40.9179 178.9245 70 E 3.5817 7.9455 118.4864 59.4142 29.2132 179.4313 71 E 4.1809 8.2224 117.4091 59.5018 29.6595 178.8717 72 E 4.2656 8.6430 117.6391 58.1415 29.8895 177.2679 73 N 4.8589 7.8410 113.3294 54.5928 40.8233 176.5598 74 F 4.2541 8.3018 121.8421 61.3581 39.5912 177.2450 75 F 4.3629 8.3658 117.7927 60.3390 38.5292 175.9544 76 P 4.2875 0.0000 0.0000 65.3860 31.4708 178.1725 77 L 4.1405 7.7115 119.3817 57.8910 42.0460 178.3813 78 L 3.9007 7.9473 120.8146 58.5459 41.6995 179.2128 79 L 4.1789 7.8358 116.7203 57.5598 41.5186 179.2020 80 Q 3.9393 7.7372 117.1887 58.0734 28.6541 177.0851 81 Y 4.3368 7.7116 114.2803 57.3227 40.8174 176.0206 82 A 4.6543 8.2058 122.4352 48.9684 19.9307 175.1570 83 P 4.2477 0.0000 0.0000 64.5249 31.6124 178.4313 84 Q 4.0969 7.9811 116.8961 58.3040 28.4890 177.0252 85 A 4.3322 8.0870 122.3120 52.4301 18.4700 178.5395 86 Q 3.8099 7.9736 120.2682 59.6015 29.1686 178.5600 87 E 3.9292 8.0514 118.8392 59.3706 29.4320 179.4616 88 S 4.0354 7.8810 114.8142 61.4481 62.9109 176.5743 89 V 2.9363 7.9587 121.2994 65.9979 31.2097 177.7479 90 D 4.2579 8.2406 118.8753 57.3511 40.5188 178.5185 91 E 3.9260 8.1964 119.8078 59.1243 29.6324 178.7770 92 L 3.9801 8.1005 119.4815 57.7034 41.3901 179.5293 93 L 3.9572 7.8520 118.3394 57.7893 41.7574 179.2772 94 R 4.0674 7.9879 117.9870 59.5804 29.8396 179.1873 95 Q 4.0113 8.3441 117.8831 59.1466 28.6453 178.5011 96 H 4.0405 8.1006 117.4343 58.7252 28.6278 177.8805 97 I 3.8202 7.6690 121.7356 64.2402 36.8959 178.6413 98 G 3.6023 7.9049 106.0992 47.7829 0.0000 175.4721 99 L 3.8928 8.3070 121.7727 57.8374 41.4914 179.4229 100 H 4.5539 8.3016 116.0826 59.1712 28.8133 177.6777 101 D 4.4033 8.3950 120.7370 57.4006 40.6191 178.5930 102 N 4.4549 8.7484 117.5800 56.0203 38.5654 177.3072 103 W 4.2720 8.7638 129.6987 60.4400 30.8702 177.7159 104 A 3.5952 8.3003 120.7318 55.1021 17.8505 179.5081 105 A 3.7737 7.7388 118.7438 55.1765 18.3571 180.0854 106 V 3.2282 7.2990 116.7654 65.9388 31.4743 178.1137 107 S 3.1648 6.9449 112.9088 60.9880 61.9880 176.0967 108 A 3.8647 7.6010 123.4024 54.9759 18.0221 179.4822 109 E 4.0018 7.8928 116.7946 59.5339 29.5261 179.4580 110 F 4.5304 8.4679 117.9148 60.7828 39.0458 177.5256 111 A 4.0438 8.2607 120.3070 55.1439 18.2346 179.8745 112 K 3.7327 7.9867 116.9008 59.4764 31.7901 179.5324 113 L 4.3300 8.0390 118.2634 58.0799 41.6398 179.2163 114 E 4.1171 8.2612 117.3588 59.2067 29.4640 178.8548 115 A 4.4597 7.9728 119.8329 53.5412 19.2636 177.1663 116 D 4.4254 7.7959 116.7785 53.6035 42.1237 175.2351 117 N 4.6746 8.6805 122.4037 54.5628 38.7711 175.9009 118 A 4.4252 8.1059 120.5667 52.2127 19.3978 177.0313 119 Y 4.1914 7.9104 118.4466 57.2942 39.2954 175.3998 120 V 3.7744 7.7120 127.2041 60.7012 31.7494 173.8332 121 P 4.0176 0.0000 0.0000 61.9485 32.2453 176.0468 122 D 4.2694 8.8498 120.0411 53.6359 40.2537 176.4754 123 E 3.8633 8.5154 128.6353 59.1243 29.5194 177.9894 124 E 3.9127 8.2120 118.8076 58.9108 29.6211 178.6870 125 A 3.9615 7.9408 121.1008 55.0089 18.4297 179.5898 126 F 4.5408 7.7707 115.7823 60.9374 39.0510 177.9452 127 K 4.1452 8.5844 118.4356 59.4251 31.7856 179.3997 128 R 3.9119 8.4308 119.3482 59.3049 30.1352 178.3034 129 F 4.1375 8.3518 120.3682 61.3669 39.4642 177.1579 130 V 3.6053 8.2243 117.5795 66.1559 31.2770 177.8878 131 A 4.1400 8.4498 120.7700 54.9453 18.1960 179.7907 132 G 3.4375 8.2713 104.5252 48.2483 0.0000 175.6073 133 Y 3.9102 7.6645 118.7351 60.5434 37.9310 178.0426 134 D 4.3862 8.2321 120.0172 57.4310 40.8243 179.0082 135 V 3.5850 7.9934 118.7972 66.1971 31.4365 177.5557 136 H 4.4336 8.1708 119.1291 58.9538 29.7822 177.2978 137 L 3.9074 8.5101 120.9547 57.6957 41.1530 179.4364 138 A 4.0165 7.7096 119.6514 54.9818 18.3185 179.4566 139 I 3.8382 7.2366 117.8657 64.2450 37.5470 177.9093 140 E 3.9784 8.2836 120.3900 59.2103 29.5844 178.4606 141 E 3.1507 7.9935 118.6094 58.8239 29.6165 177.4349 142 P 4.3436 0.0000 0.0000 65.8384 31.1112 178.5085 143 L 4.3644 7.7380 116.8295 57.4908 41.7393 179.1249 144 F 4.7837 8.0669 118.1156 60.5855 38.7919 178.2659 145 D 4.9584 8.0035 115.9760 54.5971 40.5794 178.7076 *147 G 4.2033 8.1059 110.6258 45.8815 0.0000 175.7641 148 N 4.3980 8.5059 116.7944 56.3508 38.8506 176.7411 149 T 3.9503 7.8181 114.1881 65.8383 68.6260 175.6733 150 F 4.9288 7.8011 117.1097 57.9961 40.4043 175.9982 151 I 3.6982 7.7089 121.9527 59.3213 38.0562 174.6434 152 P 4.2091 0.0000 0.0000 62.3548 32.9896 177.1402 153 K 3.8192 8.6936 122.3310 60.1463 32.0551 178.9836 154 E 4.0184 8.0753 117.8329 59.0466 29.4169 179.2842 155 K 4.0636 7.9171 118.4735 59.2203 32.1010 179.2212 156 L 4.0405 7.8534 119.0402 58.0557 41.6866 179.4450 157 T 3.8808 8.0764 115.8022 66.6069 67.9053 176.1381 158 E 4.1097 8.2347 121.2693 59.4219 29.5424 179.0485 159 I 3.8988 7.7070 111.7139 63.6091 37.6452 177.8395 160 G 4.4112 8.1710 108.8823 47.3251 0.0000 175.1037 161 E 4.1730 8.0860 120.5111 58.9667 29.4333 180.3649 162 I 3.8289 7.2808 116.6739 61.6792 36.6324 177.8585 *164 A 2.9632 8.2100 124.9500 51.7768 20.3954 179.8663 165 A 3.8839 7.4622 117.5141 55.1345 17.1958 179.5308 166 R 3.7894 7.6396 116.8390 59.8730 29.7574 178.5657 167 R 4.1312 7.4041 116.1222 58.1109 30.1927 177.7672 168 R 4.1318 8.2178 117.2894 56.5258 30.8201 176.4010 169 K 3.9605 6.9215 119.9124 56.1256 34.3521 174.0423 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 9 V 8.05 4.00 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 0.80 0.00 0.00 0.80 0.00 0.00 10 T 7.69 4.37 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 1.21 0.00 0.00 11 F 8.85 4.32 0.00 3.15 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 12 A 7.78 4.14 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 13 E 7.88 4.64 0.00 1.97 1.83 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 2.19 2.19 0.00 14 P 0.00 4.29 0.00 2.16 2.25 0.00 3.77 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 2.00 2.19 0.00 15 I 7.66 3.37 1.82 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.64 0.67 0.00 0.00 16 E 7.74 4.36 0.00 2.12 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 2.34 2.41 0.00 *18 L 8.13 4.12 0.00 0.75 0.79 -0.44 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.81 4.21 0.00 3.22 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 20 A 8.26 4.02 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 21 C 7.98 4.11 0.00 3.05 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 22 H 8.40 4.32 0.00 3.54 3.48 0.00 5.64 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 23 G 8.17 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.63 3.51 0.00 1.62 1.13 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.45 7.81 25 V 7.62 3.38 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 0.58 0.00 0.00 0.92 0.00 0.00 26 R 8.12 3.91 0.00 1.96 1.93 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 27 R 7.76 3.72 0.00 1.59 1.46 0.00 2.73 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.45 0.00 28 F 7.89 4.53 0.00 3.26 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 29 C 8.91 4.49 0.00 3.19 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 30 G 8.16 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 31 Q 7.84 4.16 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 32 V 8.05 3.67 2.42 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 0.84 0.00 0.00 1.16 0.00 0.00 33 A 7.99 4.22 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 *35 L 7.91 4.35 0.00 1.67 1.47 0.81 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.23 4.35 0.00 4.10 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 37 D 8.16 4.43 0.00 2.77 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 38 Y 8.07 3.92 0.00 3.13 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 39 I 8.69 4.09 2.05 0.00 0.00 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 1.54 1.29 0.97 0.00 0.00 40 A 7.91 3.99 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 41 E 8.10 4.02 0.00 1.74 1.87 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 2.29 2.46 0.00 42 N 8.07 4.60 0.00 2.12 2.55 0.00 0.00 7.19 7.22 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 43 G 8.35 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 0.00 0.00 0.00 44 C 8.12 4.64 0.00 3.02 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 45 N 7.91 4.84 0.00 3.09 3.03 0.00 0.00 6.13 7.42 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 46 Q 8.53 4.07 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 47 I 7.84 3.66 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.70 0.00 0.00 48 V 8.31 3.44 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 1.07 0.00 0.00 1.18 0.00 0.00 49 L 7.96 3.94 0.00 1.73 1.68 0.98 0.72 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 50 Q 8.30 3.98 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 51 T 7.96 4.00 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 52 I 7.89 3.21 0.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.45 0.24 0.00 0.00 53 R 7.87 3.87 0.00 1.89 2.13 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 54 Q 7.97 3.97 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 55 I 7.83 2.93 2.21 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 1.62 0.73 1.28 0.00 0.00 56 A 8.43 4.43 1.83 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 57 Q 8.21 3.87 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 58 Y 7.40 3.51 0.00 2.61 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 0.00 0.00 0.00 59 F 7.40 3.95 0.00 1.51 1.45 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 60 N 8.20 4.71 0.00 2.89 2.97 0.00 0.00 6.71 7.34 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 61 V 7.41 4.09 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 0.99 0.00 0.00 0.93 0.00 0.00 62 A 7.20 3.77 0.58 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 0.00 0.00 63 A 7.29 3.61 1.16 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 0.00 0.00 64 P 0.00 4.17 0.00 2.12 2.09 0.00 3.45 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 2.26 2.15 0.00 65 L 7.36 3.98 0.00 1.71 1.69 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.17 4.33 0.00 3.27 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.40 4.25 0.00 3.39 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.33 3.96 0.00 2.19 2.13 0.00 0.00 0.00 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 2.37 0.00 69 D 8.29 4.35 0.00 2.84 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 70 E 7.95 3.58 0.00 2.00 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 0.00 0.00 0.00 2.06 2.25 0.00 71 E 8.22 4.18 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.80 0.00 72 E 8.64 4.27 0.00 2.01 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 2.46 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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 0.00 0.00 82 A 8.21 4.65 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 83 P 0.00 4.25 0.00 2.20 2.24 0.00 3.53 0.00 0.00 3.61 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 84 Q 7.98 4.10 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 85 A 8.09 4.33 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 86 Q 7.97 3.81 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 87 E 8.05 3.93 0.00 2.05 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 0.00 2.37 2.43 0.00 88 S 7.88 4.04 0.00 3.91 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 89 V 7.96 2.94 1.99 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 0.00 98 G 7.90 3.60 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 0.00 0.00 0.00 99 L 8.31 3.89 0.00 1.66 1.57 0.44 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 100 H 8.30 4.55 0.00 3.42 3.46 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.40 4.40 0.00 2.87 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 0.00 102 N 8.75 4.45 0.00 3.05 3.16 0.00 0.00 6.64 7.24 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 0.00 103 W 8.76 4.27 0.00 3.73 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.30 3.60 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 0.00 105 A 7.74 3.77 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 0.00 106 V 7.30 3.23 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 0.16 0.00 0.00 0.80 0.00 0.00 107 S 6.94 3.16 0.00 2.72 3.24 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 0.00 108 A 7.60 3.86 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 0.00 109 E 7.89 4.00 0.00 2.27 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 0.00 2.40 2.17 0.00 110 F 8.47 4.53 0.00 3.19 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 0.00 111 A 8.26 4.04 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 0.00 112 K 7.99 3.73 0.00 1.51 0.74 0.00 0.66 0.00 0.00 1.32 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.11 1.43 7.81 113 L 8.04 4.33 0.00 1.94 1.85 1.21 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.26 4.12 0.00 2.11 2.03 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 2.35 2.50 0.00 115 A 7.97 4.46 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 0.00 116 D 7.80 4.43 0.00 2.76 2.65 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 0.00 117 N 8.68 4.67 0.00 2.79 2.90 0.00 0.00 7.09 7.35 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 0.00 118 A 8.11 4.43 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 0.00 119 Y 7.91 4.19 0.00 2.93 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 0.00 120 V 7.71 3.77 1.83 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 0.74 0.00 0.00 0.85 0.00 0.00 121 P 0.00 4.02 0.00 2.08 2.22 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 122 D 8.85 4.27 0.00 2.59 2.41 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 0.00 131 A 8.45 4.14 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 0.00 132 G 8.27 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.66 3.91 0.00 2.89 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 0.00 134 D 8.23 4.39 0.00 2.91 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 0.00 135 V 7.99 3.58 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 0.98 0.00 0.00 0.99 0.00 0.00 136 H 8.17 4.43 0.00 3.30 3.40 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.51 3.91 0.00 1.71 1.69 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.71 4.02 1.38 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 0.00 0.00 139 I 7.24 3.84 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.85 0.00 0.00 140 E 8.28 3.98 0.00 1.95 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 1.77 2.53 0.00 141 E 7.99 3.15 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.37 0.00 142 P 0.00 4.34 0.00 2.17 2.15 0.00 3.54 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 2.22 2.21 0.00 143 L 7.74 4.36 0.00 1.99 2.13 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.07 4.78 0.00 3.00 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 0.00 145 D 8.00 4.96 0.00 3.03 2.75 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 *147 G 8.11 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 0.00 0.00 0.00 0.00 148 N 8.51 4.40 0.00 2.94 2.92 0.00 0.00 7.11 7.84 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 0.00 149 T 7.82 3.95 3.43 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 0.61 0.00 0.00 150 F 7.80 4.93 0.00 3.16 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.70 2.00 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 1.38 0.61 0.78 0.00 0.00 152 P 0.00 4.21 0.00 1.98 1.87 0.00 2.67 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 153 K 8.69 3.82 0.00 1.76 1.81 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.49 7.81 154 E 8.08 4.02 0.00 2.09 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 2.40 2.45 0.00 155 K 7.92 4.06 0.00 1.84 1.86 0.00 1.82 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.37 7.81 156 L 7.85 4.04 0.00 1.92 1.74 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.08 3.88 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 1.22 0.00 0.00 158 E 8.23 4.11 0.00 2.15 2.16 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 2.32 2.33 0.00 159 I 7.71 3.90 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.86 0.95 0.00 0.00 160 G 8.17 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 0.00 0.00 0.00 0.00 161 E 8.09 4.17 0.00 2.17 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 2.33 2.52 0.00 162 I 7.28 3.83 1.96 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 1.21 1.06 0.91 0.00 0.00 *164 A 8.21 2.96 1.19 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 0.00 0.00 0.00 165 A 7.46 3.88 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 0.00 166 R 7.64 3.79 0.00 1.77 1.81 0.00 3.25 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 167 R 7.40 4.13 0.00 1.87 1.97 0.00 3.18 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 168 R 8.22 4.13 0.00 1.92 1.95 0.00 3.19 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 169 K 6.92 3.96 0.00 1.78 1.81 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 1.09 7.81 * Residues marked with a * may have inaccurate shift predictions.