NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3079 8.1727 120.1363 56.2379 32.3131 175.5518 3 T 4.0467 8.1223 118.7149 64.0329 67.1376 173.4746 4 G 3.8385 8.3889 108.2535 46.7078 0.0000 174.6111 5 A 4.3222 7.9001 121.9238 54.0138 19.1642 178.5132 6 D 4.5932 8.6917 116.9178 55.9696 41.2147 178.2852 7 R 4.1310 7.5914 119.3205 58.2178 30.0612 177.6862 8 F 4.2621 7.8913 119.9073 60.9876 39.2617 177.0346 9 L 4.1216 7.9745 118.9725 58.1138 42.0189 178.3418 10 E 4.1219 7.8717 117.5345 58.9970 29.4226 178.5263 11 E 4.3250 7.4216 116.4275 57.2691 31.1595 176.8217 12 L 4.6313 7.7071 119.1126 51.0880 42.5733 174.9653 13 P 4.3256 0.0000 0.0000 65.4459 31.4316 178.2877 14 E 3.9153 8.0857 118.6423 59.2452 29.6809 179.0302 15 V 3.7728 7.7495 111.6325 64.1943 31.8672 178.2222 16 A 4.2605 8.2647 120.5733 55.1294 18.2055 179.4200 17 E 3.9410 8.1974 117.9332 59.5849 29.8437 179.1875 18 S 4.2280 7.9300 114.3564 61.4281 62.8580 176.3070 19 F 4.3442 8.5417 124.4525 61.1549 39.1956 177.4208 20 K 4.1019 8.4412 118.2886 59.4047 31.6758 179.1229 21 N 4.3639 8.2916 117.0502 55.9897 38.4666 177.2735 22 F 4.1381 8.1024 122.2068 61.1946 39.5195 177.0887 23 R 3.3289 8.0225 118.6224 59.4185 29.7755 178.3871 24 E 3.8730 8.1671 118.0698 59.0108 29.5338 179.1718 25 A 3.8904 8.0537 121.0990 55.4277 18.3326 180.2575 26 V 3.5472 7.0921 109.0288 63.9885 31.5550 178.4151 27 R 4.0580 7.6685 118.1042 57.8506 29.9410 177.4632 28 S 4.6168 7.6113 111.7059 56.9639 63.7558 173.7911 29 E 3.9766 7.1408 122.1362 57.0071 29.7509 177.1537 30 G 3.8611 8.4109 112.0062 46.5373 0.0000 175.1041 31 K 4.0247 8.2531 119.1428 58.7449 32.2116 176.9499 32 L 4.9044 7.4633 115.9850 52.6105 44.6922 176.8489 33 T 4.1979 8.8466 112.3391 61.2913 70.9716 175.3950 34 E 3.9031 8.7059 122.4182 59.4695 29.5591 179.2055 35 R 3.8331 7.8836 118.1592 59.4757 30.1897 178.1932 36 E 3.9603 8.0272 118.0682 59.4980 29.4964 179.6078 37 K 3.9524 8.0996 118.3940 59.1738 32.0370 179.5909 38 L 3.9569 7.9103 119.4393 57.7469 41.5658 179.3563 39 L 3.9728 7.9036 118.8497 57.9551 41.5117 179.6591 40 I 3.6787 8.0498 119.9757 64.5644 37.1467 178.6730 41 S 4.0025 8.1650 115.9711 61.3489 62.5533 177.0504 42 V 3.5468 7.7656 120.6013 66.0393 31.4212 177.8251 43 A 4.0111 8.1239 120.6384 55.6456 18.1792 179.4576 44 C 4.1521 8.3689 115.1888 62.9244 28.1325 176.4407 45 S 4.1709 7.9193 116.5588 61.5128 62.3866 176.9839 46 V 3.5743 7.9054 120.7879 65.9214 31.1075 177.9842 47 A 4.0208 7.9306 119.4523 54.8482 18.3326 178.9211 48 V 3.8135 7.8052 113.7622 62.2358 32.6676 175.6420 49 R 3.6523 7.7411 115.6871 58.5220 28.0283 176.7541 50 C 4.7482 8.1495 118.1295 54.6184 43.2188 173.2575 51 D 4.2851 8.8345 127.1533 57.4795 40.7804 177.8877 52 A 3.9935 7.9191 120.5971 55.3833 18.4036 180.0903 53 C 4.2179 8.1599 114.5725 60.3276 39.7822 176.3896 54 T 3.8456 7.9538 117.2869 66.6473 68.1221 176.5762 55 R 3.8598 7.9174 120.5633 59.4274 30.0059 178.3928 56 R 3.8002 8.0661 118.2965 60.0170 30.1573 178.3614 57 H 4.4684 8.3734 115.6750 58.4499 28.5396 177.7726 58 A 4.0107 8.3577 123.3936 55.0304 18.1098 179.4858 59 E 3.8956 8.1945 117.0753 59.7931 29.7536 179.5503 60 E 3.7051 8.0572 117.8474 59.2355 29.3416 179.3600 61 A 4.1404 7.9725 121.1032 54.9141 18.3634 179.7390 62 L 4.2377 8.1154 119.3338 57.3787 41.6100 179.0154 63 E 4.1778 8.9217 116.2732 57.5445 29.4909 177.7668 64 A 4.6250 7.4498 118.7866 51.4580 19.7218 177.3782 65 G 3.8836 8.2055 106.2419 45.2418 0.0000 173.6059 66 I 4.1426 7.8883 121.4285 60.2840 38.4579 175.8365 67 T 4.1124 8.3385 118.6260 61.6305 69.3210 175.4877 68 E 4.1966 8.6953 123.7112 58.8176 29.1996 179.9171 69 G 3.5518 7.9424 106.0700 47.8660 0.0000 175.8179 70 E 4.0245 8.0882 120.7235 58.7364 29.5382 179.0316 71 L 3.9665 7.8914 120.0866 58.0413 42.1565 178.8764 72 A 4.0491 8.3003 120.9271 54.9501 18.3670 179.2236 73 E 3.8991 8.0275 117.7405 59.0772 29.5503 178.8062 74 A 3.9752 7.8373 120.3546 55.0265 18.3747 179.4962 75 A 3.9123 8.0851 119.0747 55.2945 18.5039 179.4471 76 A 3.9064 8.1330 119.3772 55.6709 18.2863 180.0968 77 V 3.5927 7.8391 115.9044 65.8136 31.5836 178.1808 78 A 3.9665 7.7583 120.7407 54.9903 18.2204 179.4563 79 A 3.9437 8.3054 119.6261 55.1183 18.4372 179.5953 80 L 3.8952 7.9470 118.8356 58.5445 42.1922 179.4048 81 I 3.8731 7.9925 119.7243 63.9903 36.7076 178.4696 82 R 3.8492 7.7934 118.9494 59.4279 29.9079 178.1860 83 A 4.2540 8.1525 120.7301 54.9927 18.2057 179.8021 84 G 3.6704 8.3564 104.0624 47.9449 0.0000 175.7186 85 S 4.3375 8.3616 116.5555 60.9432 62.8873 177.1093 86 A 4.2382 7.4954 121.9186 52.3728 17.6435 178.5472 *88 N 4.6736 8.2953 119.8132 55.5547 40.9336 176.7511 89 T 3.9201 7.7159 114.0455 66.3715 68.3176 176.5551 90 A 4.0909 8.3184 123.0713 54.7896 18.1034 179.5049 91 S 4.5083 8.0550 112.5667 60.9636 62.8039 176.0256 92 A 4.1565 7.7602 123.4493 54.0612 18.0988 179.2295 93 I 3.7489 7.4408 118.6037 63.0257 37.2628 176.5795 94 F 4.4550 6.9954 119.2049 56.9195 39.0333 175.8780 95 R 4.2740 8.6073 121.5747 56.2010 29.3900 175.6338 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 2 K 8.17 4.31 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 3 T 8.12 4.05 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 4 G 8.39 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 5 A 7.90 4.32 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 6 D 8.69 4.59 0.00 2.79 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 7 R 7.59 4.13 0.00 2.22 2.13 0.00 3.11 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 8 F 7.89 4.26 0.00 3.15 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 9 L 7.97 4.12 0.00 1.79 1.96 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.87 4.12 0.00 2.19 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 2.67 2.51 0.00 11 E 7.42 4.32 0.00 1.75 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 12 L 7.71 4.63 0.00 1.32 1.42 0.67 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.33 0.00 2.27 2.31 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 14 E 8.09 3.92 0.00 2.06 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 2.39 2.42 0.00 15 V 7.75 3.77 2.17 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 0.76 0.00 0.00 1.05 0.00 0.00 16 A 8.26 4.26 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.20 3.94 0.00 2.15 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 2.50 0.00 18 S 7.93 4.23 0.00 4.12 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 0.00 19 F 8.54 4.34 0.00 3.30 3.40 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 20 K 8.44 4.10 0.00 2.04 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.93 7.81 21 N 8.29 4.36 0.00 3.01 2.89 0.00 0.00 6.55 7.64 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 22 F 8.10 4.14 0.00 3.00 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 23 R 8.02 3.33 0.00 1.40 1.80 0.00 3.04 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 24 E 8.17 3.87 0.00 2.15 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 2.36 2.43 0.00 25 A 8.05 3.89 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 26 V 7.09 3.55 1.81 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 0.06 0.00 0.00 0.56 0.00 0.00 27 R 7.67 4.06 0.00 1.90 1.96 0.00 3.15 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 28 S 7.61 4.62 0.00 4.00 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 29 E 7.14 3.98 0.00 1.98 1.85 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 2.30 2.40 0.00 30 G 8.41 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.25 4.02 0.00 1.74 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.41 7.81 32 L 7.46 4.90 0.00 1.57 1.64 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.85 4.20 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 1.23 0.00 0.00 34 E 8.71 3.90 0.00 2.03 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 2.36 2.36 0.00 35 R 7.88 3.83 0.00 1.91 1.89 0.00 3.23 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 36 E 8.03 3.96 0.00 2.19 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 2.32 2.34 0.00 37 K 8.10 3.95 0.00 1.78 1.81 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 38 L 7.91 3.96 0.00 1.87 1.70 0.93 0.64 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 39 L 7.90 3.97 0.00 1.84 1.71 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.05 3.68 2.01 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 1.51 0.71 0.89 0.00 0.00 41 S 8.17 4.00 0.00 3.94 3.56 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 42 V 7.77 3.55 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 1.02 0.00 0.00 0.95 0.00 0.00 43 A 8.12 4.01 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 44 C 8.37 4.15 0.00 3.05 2.99 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 45 S 7.92 4.17 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 46 V 7.91 3.57 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 1.01 0.00 0.00 0.96 0.00 0.00 47 A 7.93 4.02 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 48 V 7.81 3.81 2.30 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 0.89 0.00 0.00 0.94 0.00 0.00 49 R 7.74 3.65 0.00 1.99 1.96 0.00 3.17 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 50 C 8.15 4.75 0.00 2.93 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 51 D 8.83 4.29 0.00 2.83 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 52 A 7.92 3.99 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 53 C 8.16 4.22 0.00 3.13 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 54 T 7.95 3.85 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 55 R 7.92 3.86 0.00 1.89 2.06 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 56 R 8.07 3.80 0.00 1.96 1.90 0.00 2.96 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 57 H 8.37 4.47 0.00 3.22 3.32 0.00 5.67 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 58 A 8.36 4.01 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 59 E 8.19 3.90 0.00 2.24 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 2.32 2.49 0.00 60 E 8.06 3.71 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 2.33 2.48 0.00 61 A 7.97 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 62 L 8.12 4.24 0.00 1.99 1.72 1.05 0.80 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 63 E 8.92 4.18 0.00 1.89 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 2.34 2.61 0.00 64 A 7.45 4.62 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 65 G 8.21 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 66 I 7.89 4.14 2.01 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 1.18 0.99 0.97 0.00 0.00 67 T 8.34 4.11 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 1.31 0.00 0.00 68 E 8.70 4.20 0.00 2.05 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 2.37 0.00 69 G 7.94 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 70 E 8.09 4.02 0.00 2.02 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 2.39 2.36 0.00 71 L 7.89 3.97 0.00 1.99 1.66 0.92 0.86 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 72 A 8.30 4.05 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 73 E 8.03 3.90 0.00 2.08 2.15 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 2.30 2.36 0.00 74 A 7.84 3.98 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 75 A 8.09 3.91 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 76 A 8.13 3.91 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 77 V 7.84 3.59 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 1.00 0.00 0.00 0.96 0.00 0.00 78 A 7.76 3.97 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 79 A 8.31 3.94 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 80 L 7.95 3.90 0.00 1.88 1.87 0.92 1.04 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 81 I 7.99 3.87 2.00 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 1.67 0.70 0.92 0.00 0.00 82 R 7.79 3.85 0.00 2.06 2.09 0.00 3.31 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 83 A 8.15 4.25 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 84 G 8.36 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 85 S 8.36 4.34 0.00 4.07 4.21 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 0.00 0.00 0.00 0.00 86 A 7.50 4.24 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 *88 N 8.30 4.67 0.00 2.85 3.08 0.00 0.00 7.10 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 89 T 7.72 3.92 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 1.21 0.00 0.00 90 A 8.32 4.09 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 91 S 8.05 4.51 0.00 4.15 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 0.00 92 A 7.76 4.16 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 93 I 7.44 3.75 1.04 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.29 0.00 0.00 94 F 7.00 4.46 0.00 3.04 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 95 R 8.61 4.27 0.00 1.90 1.88 0.00 3.06 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.