NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3783 8.1233 123.5836 52.0906 19.0301 176.7629 *2 L 4.2383 8.0999 121.3659 55.1919 43.7569 179.6622 3 K 4.0631 7.9326 118.1503 59.4075 32.5053 178.3308 4 T 4.0824 8.0319 115.3334 66.5062 68.5345 175.8837 5 L 4.1934 7.8675 119.4115 56.9133 42.1441 177.5753 6 L 4.3486 7.9607 120.4858 53.3045 40.1973 175.6847 7 T 4.5320 7.4382 114.0487 59.1746 71.5818 176.4408 8 S 4.1578 8.6639 115.6093 61.5402 62.6613 175.5065 9 D 4.5080 8.0500 118.6069 55.1777 39.6629 176.8546 10 V 4.6367 8.1203 112.8594 60.6149 33.6769 174.7543 11 I 5.1958 7.8606 113.3415 59.4216 40.2242 174.8091 12 Q 4.6540 8.8862 122.2249 54.5006 33.6141 173.6813 13 V 4.8923 8.4676 122.3685 61.2966 33.8474 174.8967 14 V 4.6718 8.6205 120.1565 59.5614 35.6915 176.8195 15 S 4.5057 8.9938 116.9340 60.4297 64.2054 174.0838 16 Q 4.7693 7.8840 114.8634 54.4112 31.2399 172.7942 17 A 4.8856 8.0746 120.5721 49.7567 22.4215 176.3431 18 K 3.9750 9.2663 121.3949 59.1917 32.3731 176.7045 19 D 4.3379 7.3642 116.4652 51.3567 42.5147 176.3025 20 W 3.5809 7.9503 116.3818 59.8048 27.5777 178.2843 21 R 3.2148 6.4562 118.1310 58.7406 29.2745 178.4175 22 D 4.3134 8.2803 117.5836 57.0058 41.1890 178.0476 23 A 4.0958 8.2952 121.7413 55.2534 18.4805 179.5803 24 I 3.8542 8.3877 118.3282 64.4939 37.3398 178.4798 25 A 3.9982 8.2751 121.4316 55.2965 18.0675 179.6080 26 I 3.6870 7.8337 117.0765 64.9302 37.3261 178.7017 27 S 4.5913 8.0102 115.6446 60.8597 62.9212 175.8101 28 C 4.4518 8.1189 118.3229 60.9830 28.2684 175.5170 29 Q 3.9829 7.9145 121.4639 58.9289 28.5653 176.6989 30 P 4.3762 0.0000 0.0000 65.4749 31.3771 178.3871 31 L 4.3015 8.0261 117.6873 57.1467 41.6401 179.5410 32 I 4.0741 7.5491 121.0326 63.9426 36.9806 177.7137 33 D 4.3482 8.2503 118.9784 57.3662 40.6791 177.4252 34 N 4.5324 8.1205 113.0373 52.6911 37.6316 176.0034 35 G 3.8832 7.9660 107.1487 45.4529 0.0000 174.5262 36 A 4.1571 8.4606 122.6386 54.2432 19.4051 178.1823 37 V 4.7560 7.9092 106.9629 59.3200 36.2277 175.6876 38 E 4.2286 9.1473 122.1037 55.9252 30.4045 177.9961 39 A 3.9748 8.8825 124.1563 55.5383 18.3261 180.1984 40 R 4.0219 7.9663 113.1949 58.6068 29.2291 178.0071 41 Y 4.4874 8.0934 122.7641 60.2163 38.6795 178.1815 42 V 3.3234 7.6427 118.6646 65.9835 31.6457 177.8963 43 E 3.6928 7.9100 117.5286 59.1305 29.2592 179.0677 44 A 3.9924 8.0533 120.9515 55.1208 18.4315 179.6932 45 I 3.5568 7.3956 118.2435 64.7147 37.0869 178.1332 46 Y 4.7680 8.0393 117.5108 61.6242 37.7514 179.2067 47 R 4.3696 8.2718 120.1470 58.7730 30.1557 179.2971 48 S 4.2073 8.4283 115.1588 61.9065 62.8417 176.1960 49 H 4.7217 8.4878 122.2355 59.0047 29.2755 177.1191 50 E 4.1635 8.9605 120.5587 59.3090 29.0054 179.3378 51 A 4.2033 7.9238 120.4555 54.3123 18.7515 178.1806 52 I 4.3723 7.8876 105.4914 59.8888 39.2930 175.5294 53 G 3.6654 8.5657 109.3515 44.1459 0.0000 171.7896 54 P 4.0180 0.0000 0.0000 61.4487 29.7054 176.8577 55 Y 4.0538 7.4770 118.1588 60.3176 38.6055 177.3920 56 Y 3.9677 5.7845 115.9576 56.7548 38.5891 175.2968 57 V 3.5391 6.5866 122.1216 62.6586 31.7774 175.7938 58 V 3.6198 8.3967 128.5229 64.8839 31.9539 175.5336 59 G 3.7969 7.0716 105.4975 44.4064 0.0000 169.6371 60 P 4.4779 0.0000 0.0000 64.3858 31.3557 177.2179 61 G 4.2684 9.2730 112.1634 45.9755 0.0000 172.2969 62 I 4.8497 7.7337 120.4158 59.5757 40.7568 174.3460 63 A 4.6445 8.5359 129.8654 49.9409 22.7002 172.3732 *65 P 4.0743 0.0000 0.0000 63.0754 33.1143 175.9321 66 H 4.8361 8.1185 116.7139 55.4922 30.8313 171.9171 67 A 4.4672 8.0064 120.8714 51.2098 21.6564 175.9608 68 R 4.3319 8.7197 115.8204 55.4371 31.1085 176.2479 69 P 4.3720 0.0000 0.0000 66.0245 31.2641 178.4964 70 E 4.1878 8.1319 112.5434 58.1169 29.7767 176.6990 71 D 4.7096 8.4028 120.3687 54.5398 41.0548 176.4069 72 G 4.0963 8.1125 109.3847 45.6291 0.0000 173.6072 73 V 4.0370 7.8063 120.2337 61.5789 32.3434 175.3810 74 N 4.7217 8.8656 124.9493 54.5579 39.7160 175.7529 75 R 4.5676 7.4962 111.4300 53.9345 32.2044 174.0668 76 L 4.2163 8.3568 122.0517 56.3251 42.3965 176.2289 77 S 4.7420 8.9888 118.8397 57.5290 66.5510 173.4615 78 L 5.9603 8.6345 119.5679 52.2401 45.7124 175.6421 79 A 4.8661 8.3810 121.3983 50.3791 23.2575 174.6743 80 L 5.1452 8.8410 122.2103 53.5972 45.4787 175.4062 81 T 5.1893 9.1330 122.5657 61.7321 72.6155 172.8798 82 V 4.7611 8.7267 125.5961 61.2832 34.2932 174.3415 83 I 4.9108 8.7129 130.0162 59.7893 37.7814 176.6192 84 T 3.9267 9.0339 119.8923 64.4402 68.8405 176.4254 85 E 4.0902 8.3812 119.8673 56.3214 29.8315 177.5325 86 G 4.1734 8.3718 105.4571 45.3628 0.0000 173.1372 87 V 4.5206 8.2060 117.4006 61.2403 34.7597 174.2544 88 T 4.6654 8.5927 123.2828 63.4820 68.8545 174.6147 89 F 4.2804 9.8920 124.7216 56.3975 39.7164 175.3363 90 N 4.1545 8.1187 116.4446 54.7786 35.8862 174.0404 91 A 4.6653 8.3667 115.5786 52.1815 21.0716 178.7440 92 E 3.4346 7.9904 123.5628 59.0823 28.3994 178.6463 93 G 3.7452 8.6981 115.5253 48.4619 0.0000 173.5402 94 N 4.4588 8.2190 117.5012 55.1540 38.9771 175.0127 95 D 4.6521 7.4238 118.0497 53.3569 42.0363 174.7435 96 P 4.6581 0.0000 0.0000 62.5577 33.1728 175.4489 97 V 4.2612 8.8213 123.5151 62.3068 32.3164 176.4422 98 K 4.6004 9.1851 126.5928 56.3139 35.6110 175.5694 99 L 5.0884 7.8419 122.1732 53.1031 44.4857 175.1092 100 L 5.1899 9.1264 126.4397 53.0110 44.8796 175.4582 101 I 4.8151 8.5420 125.2637 59.4423 39.0692 175.5168 102 V 4.1797 8.7584 128.8031 62.3634 32.6728 174.4690 103 L 5.3191 8.6188 129.4928 53.2926 44.4876 175.4078 104 A 4.9080 9.1306 126.1887 49.4441 22.2949 174.8213 105 A 5.0458 8.6881 123.2804 50.6271 22.2706 175.9148 106 T 4.2983 8.6617 108.5305 62.0514 70.2179 173.7507 107 D 4.6853 7.3870 121.4305 51.4738 42.6728 176.1154 108 S 4.2834 8.5496 114.4442 60.9870 62.7926 176.3158 109 N 4.3009 8.1447 119.9025 56.7936 38.7046 176.9221 110 S 4.1493 8.7209 115.9457 61.4536 63.1083 175.6827 111 H 4.0463 8.1911 121.7904 59.2593 29.5308 177.2396 112 I 3.7274 8.1118 121.7356 64.2740 37.0565 178.0329 113 E 3.8736 8.1959 119.8778 59.2117 29.4194 178.6982 114 A 3.9427 8.1276 120.8379 55.3288 18.4813 179.6413 115 I 3.5772 8.0347 118.9640 64.4603 36.6262 178.7870 116 S 4.2036 8.3150 115.3561 61.5576 62.7895 176.7549 117 Q 3.9853 7.9640 121.1814 58.7383 28.5219 178.5451 118 L 3.5002 8.0585 120.0027 57.3854 41.4995 179.4009 119 A 4.1021 8.3744 121.2815 55.2220 18.0602 179.7350 120 Q 3.9782 7.5105 114.8963 58.8696 29.1215 178.2749 121 L 3.9862 7.4215 122.4214 57.6998 41.8456 179.2586 122 F 4.6051 8.0470 116.1851 60.0108 38.8034 176.1257 123 D 4.9997 7.9711 115.8751 53.7379 41.7450 176.3010 124 T 4.4521 7.8330 116.3385 61.5079 68.8463 174.3611 125 A 4.0561 8.4915 129.5120 55.0178 18.5741 179.1404 126 S 4.0971 8.0630 112.3818 61.7421 63.1044 176.3589 127 D 4.4526 8.1055 122.0032 56.7882 40.6920 178.6146 128 V 3.6111 8.0182 118.9492 66.1144 31.5386 177.8669 129 Q 3.9268 8.3510 119.0953 59.1870 28.6768 177.9993 130 A 4.0285 7.6899 120.2279 55.2036 18.6732 179.3591 131 L 4.1271 8.0228 117.4933 57.9202 41.5504 179.6146 132 L 4.0615 8.0254 118.1011 57.5775 41.6346 178.5697 133 N 4.5989 8.1729 113.8329 52.8935 39.1695 175.4878 134 A 4.1335 7.4075 124.5623 52.3586 18.8850 177.4590 135 K 4.5250 9.2295 121.2711 56.4390 34.2191 176.1189 136 T 4.7919 7.5367 107.5386 58.2095 72.1856 172.9450 137 P 4.2660 0.0000 0.0000 65.6471 31.1769 179.0126 138 Q 4.0135 8.0810 116.6768 59.0005 28.2411 178.2618 139 D 4.3907 8.0940 119.8406 57.4584 40.8795 179.0662 140 I 3.7825 7.5372 120.1905 64.4980 37.1649 178.5428 141 L 4.0666 8.1201 119.7783 57.8866 41.1316 179.8269 142 S 4.1550 7.8982 114.6298 61.3416 63.0188 176.6726 143 V 3.8045 7.5343 119.7149 66.2636 31.3839 178.2915 144 I 3.8774 7.9709 119.1197 64.1225 36.6615 177.9817 145 A 4.1551 8.1130 120.6474 54.1047 18.1263 178.0372 146 R 4.3259 7.7803 115.2891 55.9331 30.3256 176.2221 147 Y 4.1667 8.1223 123.0406 58.1919 38.7273 175.2470 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 0 A 8.12 4.38 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 *2 L 8.10 4.24 0.00 1.95 1.72 0.55 0.71 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 3 K 7.93 4.06 0.00 1.84 1.86 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.44 7.81 4 T 8.03 4.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 L 7.87 4.19 0.00 1.60 1.70 0.91 0.92 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 6 L 7.96 4.35 0.00 1.76 1.62 0.86 0.69 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 7 T 7.44 4.53 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 1.28 0.00 0.00 8 S 8.66 4.16 0.00 4.00 4.06 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 9 D 8.05 4.51 0.00 2.81 2.84 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 10 V 8.12 4.64 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 0.78 0.00 0.00 1.00 0.00 0.00 11 I 7.86 5.20 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.68 0.97 0.00 0.00 12 Q 8.89 4.65 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 13 V 8.47 4.89 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 0.92 0.00 0.00 0.93 0.00 0.00 14 V 8.62 4.67 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 0.76 0.00 0.00 0.97 0.00 0.00 15 S 8.99 4.51 0.00 4.06 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.88 4.77 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 17 A 8.07 4.89 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 18 K 9.27 3.98 0.00 1.66 1.76 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.32 7.81 19 D 7.36 4.34 0.00 2.67 2.58 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 20 W 7.95 3.58 0.00 1.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 6.46 3.21 0.00 1.15 1.07 0.00 2.23 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 22 D 8.28 4.31 0.00 2.76 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 23 A 8.30 4.10 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.39 3.85 2.48 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.79 1.01 0.00 0.00 25 A 8.28 4.00 1.44 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 26 I 7.83 3.69 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 0.95 0.00 0.00 27 S 8.01 4.59 0.00 4.13 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 28 C 8.12 4.45 0.00 3.03 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 29 Q 7.91 3.98 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 30 P 0.00 4.38 0.00 2.20 2.25 0.00 3.74 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 2.13 2.19 0.00 31 L 8.03 4.30 0.00 1.82 1.65 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.55 4.07 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.15 0.91 0.00 0.00 33 D 8.25 4.35 0.00 2.80 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 34 N 8.12 4.53 0.00 2.81 2.91 0.00 0.00 7.18 6.80 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 35 G 7.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.46 4.16 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 37 V 7.91 4.76 1.73 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 0.24 0.00 0.00 0.88 0.00 0.00 38 E 9.15 4.23 0.00 1.86 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 2.45 2.41 0.00 39 A 8.88 3.97 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 40 R 7.97 4.02 0.00 2.06 2.21 0.00 3.00 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 41 Y 8.09 4.49 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 3.32 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 0.28 0.00 0.00 0.89 0.00 0.00 43 E 7.91 3.69 0.00 2.10 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 2.30 0.00 44 A 8.05 3.99 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 45 I 7.40 3.56 1.82 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.20 0.67 0.00 0.00 46 Y 8.04 4.77 0.00 3.19 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 47 R 8.27 4.37 0.00 1.94 2.05 0.00 3.19 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 48 S 8.43 4.21 0.00 4.26 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 0.00 49 H 8.49 4.72 0.00 3.43 3.63 0.00 5.66 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 50 E 8.96 4.16 0.00 2.32 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 0.00 2.50 2.72 0.00 51 A 7.92 4.20 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 52 I 7.89 4.37 1.85 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.88 0.00 0.00 53 G 8.57 3.67 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 54 P 0.00 4.02 0.00 1.69 1.71 0.00 3.47 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 55 Y 7.48 4.05 0.00 3.16 3.17 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 56 Y 5.78 3.97 0.00 2.85 2.23 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 57 V 6.59 3.54 1.82 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 0.52 0.00 0.00 0.34 0.00 0.00 58 V 8.40 3.62 1.64 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 0.48 0.00 0.00 0.76 0.00 0.00 59 G 7.07 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 0.00 0.00 0.00 60 P 0.00 4.48 0.00 2.00 2.00 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 61 G 9.27 4.27 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 0.00 62 I 7.73 4.85 1.53 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.87 0.37 0.00 0.00 63 A 8.54 4.64 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 P 0.00 4.07 0.00 2.02 1.63 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 66 H 8.12 4.84 0.00 3.43 3.36 0.00 5.52 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 67 A 8.01 4.47 0.93 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 0.00 0.00 68 R 8.72 4.33 0.00 2.07 1.91 0.00 3.18 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 69 P 0.00 4.37 0.00 2.20 2.27 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 70 E 8.13 4.19 0.00 2.10 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 0.00 2.31 2.36 0.00 71 D 8.40 4.71 0.00 3.04 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 72 G 8.11 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 73 V 7.81 4.04 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 0.67 0.00 0.00 0.77 0.00 0.00 74 N 8.87 4.72 0.00 2.83 2.80 0.00 0.00 6.83 7.20 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 75 R 7.50 4.57 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 76 L 8.36 4.22 0.00 1.64 1.65 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.99 4.74 0.00 3.85 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 78 L 8.63 5.96 0.00 1.47 1.53 0.87 0.84 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 79 A 8.38 4.87 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 80 L 8.84 5.15 0.00 1.70 1.48 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 T 9.13 5.19 4.30 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 1.26 0.00 0.00 82 V 8.73 4.76 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 1.09 0.00 0.00 1.03 0.00 0.00 83 I 8.71 4.91 1.95 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 0.71 0.97 0.00 0.00 84 T 9.03 3.93 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 1.23 0.00 0.00 85 E 8.38 4.09 0.00 2.09 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 2.35 2.37 0.00 86 G 8.37 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.21 4.52 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 1.11 0.00 0.00 1.05 0.00 0.00 88 T 8.59 4.67 4.30 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 1.37 0.00 0.00 89 F 9.89 4.28 0.00 2.96 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 90 N 8.12 4.15 0.00 2.78 2.85 0.00 0.00 6.82 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 91 A 8.37 4.67 1.15 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 92 E 7.99 3.43 0.00 2.13 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 2.28 2.24 0.00 93 G 8.70 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 0.00 0.00 0.00 94 N 8.22 4.46 0.00 2.84 2.88 0.00 0.00 6.88 7.62 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 95 D 7.42 4.65 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.66 0.00 2.10 2.00 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 97 V 8.82 4.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.67 0.00 0.00 98 K 9.19 4.60 0.00 1.70 1.80 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.36 7.81 99 L 7.84 5.09 0.00 1.75 1.62 1.01 0.68 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 0.00 100 L 9.13 5.19 0.00 1.67 1.57 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.54 4.82 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.95 0.00 0.00 102 V 8.76 4.18 2.14 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 1.09 0.00 0.00 1.02 0.00 0.00 103 L 8.62 5.32 0.00 1.68 1.56 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 104 A 9.13 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.69 5.05 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 0.00 106 T 8.66 4.30 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 1.19 0.00 0.00 107 D 7.39 4.69 0.00 3.07 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 0.00 108 S 8.55 4.28 0.00 3.90 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 0.00 109 N 8.14 4.30 0.00 2.76 2.82 0.00 0.00 7.00 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 0.00 110 S 8.72 4.15 0.00 4.08 4.11 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 0.00 111 H 8.19 4.05 0.00 3.43 3.52 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 0.00 112 I 8.11 3.73 2.07 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 1.45 0.66 0.93 0.00 0.00 113 E 8.20 3.87 0.00 2.05 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 2.30 2.33 0.00 114 A 8.13 3.94 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 0.00 115 I 8.03 3.58 1.82 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 1.48 0.60 0.92 0.00 0.00 116 S 8.32 4.20 0.00 4.03 4.25 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 0.00 117 Q 7.96 3.99 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 118 L 8.06 3.50 0.00 1.44 1.04 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.37 4.10 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 0.00 120 Q 7.51 3.98 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 121 L 7.42 3.99 0.00 0.86 1.23 0.49 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.05 4.61 0.00 2.99 2.84 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 0.00 123 D 7.97 5.00 0.00 2.88 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 0.00 124 T 7.83 4.45 4.50 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 1.36 0.00 0.00 125 A 8.49 4.06 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 0.00 126 S 8.06 4.10 0.00 4.09 4.16 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 0.00 127 D 8.11 4.45 0.00 2.96 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 0.00 128 V 8.02 3.61 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 1.08 0.00 0.00 1.12 0.00 0.00 129 Q 8.35 3.93 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 130 A 7.69 4.03 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 0.00 131 L 8.02 4.13 0.00 1.90 1.75 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.03 4.06 0.00 1.76 1.74 0.91 1.29 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 0.00 133 N 8.17 4.60 0.00 2.92 2.87 0.00 0.00 6.98 6.95 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 0.00 134 A 7.41 4.13 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 0.00 135 K 9.23 4.52 0.00 1.72 1.85 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.49 7.81 136 T 7.54 4.79 4.25 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 1.22 0.00 0.00 137 P 0.00 4.27 0.00 2.19 2.15 0.00 3.61 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 2.12 2.18 0.00 138 Q 8.08 4.01 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 139 D 8.09 4.39 0.00 2.92 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 0.00 140 I 7.54 3.78 2.03 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 1.54 0.94 0.92 0.00 0.00 141 L 8.12 4.07 0.00 1.70 1.73 0.93 0.79 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 0.00 142 S 7.90 4.15 0.00 4.06 3.95 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 0.00 143 V 7.53 3.80 2.25 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 1.13 0.00 0.00 1.00 0.00 0.00 144 I 7.97 3.88 1.90 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 1.65 0.67 0.96 0.00 0.00 145 A 8.11 4.16 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 0.00 146 R 7.78 4.33 0.00 1.73 1.65 0.00 3.16 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 147 Y 8.12 4.17 0.00 3.06 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.