NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.6600 8.2785 119.2133 53.6461 40.1804 174.5136 12 A 4.3841 8.3160 126.5854 51.7673 20.9957 177.1683 13 L 3.9262 8.7720 119.8764 58.2609 43.1711 177.0897 14 L 3.9898 8.0543 118.3775 57.7428 41.4482 180.2662 15 S 4.1221 8.1447 113.3418 61.2839 62.9095 176.7356 16 S 4.0849 8.1367 115.6340 61.7944 62.0730 176.0550 17 M 3.8292 7.7659 121.1201 58.5833 31.7805 178.9403 18 F 4.5332 7.9817 118.1473 60.0040 38.9321 177.2026 19 A 4.0824 8.1352 119.5932 55.5704 18.2921 179.3610 20 S 4.4095 8.3930 109.5854 58.7090 63.5972 175.1129 21 G 3.9588 7.6777 110.4049 45.7405 0.0000 174.6526 22 L 4.0406 7.7152 121.9261 56.6267 41.8442 177.6147 23 V 5.1404 7.6292 109.5248 58.3232 35.7059 174.4667 24 D 5.6317 8.2280 121.6139 52.1295 41.5978 176.3256 25 E 4.0156 8.9705 115.0066 59.9979 29.6011 178.2229 26 Q 3.9916 8.2358 120.6173 59.3665 29.0250 178.8862 27 F 4.2268 8.4718 120.7342 61.3170 39.3349 177.0047 28 Q 4.0667 8.3692 117.3099 59.1037 28.3219 178.2186 29 Q 3.9192 7.5525 119.3802 59.4078 29.3688 178.5906 30 L 4.0975 7.4912 119.3436 57.7936 41.8063 179.2439 31 Q 3.8843 7.6373 119.5081 58.9562 28.6983 177.4619 32 M 3.9049 7.9709 119.0456 59.0308 32.2387 177.6633 33 L 4.2481 7.1905 116.1193 57.2580 42.8721 178.2657 34 Q 4.1539 7.4982 118.3334 55.0935 27.2939 175.8789 *39 T 4.1220 7.7152 116.7854 60.1279 69.9647 173.2983 40 P 4.3153 0.0000 0.0000 65.1311 32.1862 177.5373 41 G 3.9613 8.7939 110.8999 45.7233 0.0000 174.9171 42 F 4.1580 7.8716 120.8677 61.1593 39.3167 176.8200 43 V 3.3492 7.9789 116.9356 66.0468 31.3539 177.3744 44 A 3.9210 8.0423 119.8204 55.5672 18.0639 179.1439 45 E 3.8519 8.1581 117.3254 59.3560 29.7497 179.1381 46 V 3.4042 7.8870 118.8008 65.7788 31.4686 178.1255 47 V 3.5570 7.7889 118.1685 65.7800 31.2587 178.2874 48 T 3.9414 7.9600 115.7064 66.3095 68.2525 176.3456 49 L 3.9186 8.0707 122.4714 58.1953 41.9284 178.7588 50 F 4.3096 8.0991 121.5282 61.0495 39.5237 176.8502 51 C 4.2179 8.1934 116.1441 63.0506 27.9455 176.0055 52 D 4.3620 8.4239 120.7194 57.3234 40.3548 178.6677 53 D 4.2037 8.2783 119.3642 57.2634 40.8244 178.6498 54 A 3.5614 7.7538 121.5744 54.8820 18.2240 179.0663 55 D 4.1356 7.3820 116.1188 57.4558 41.2135 178.6052 56 R 3.7746 7.7885 119.0592 59.4958 30.0751 178.5420 57 I 3.5421 7.8942 120.0386 64.2797 37.0475 178.5678 58 I 3.5617 7.8355 121.0395 64.3776 36.9496 178.5851 59 S 4.0938 7.8565 115.8921 61.7635 62.6291 176.7298 60 E 3.8312 8.2309 121.3807 59.1129 28.9712 179.3988 61 L 3.8905 7.8209 119.1145 57.5843 41.4133 179.4291 62 A 3.9326 7.8223 119.5631 55.0508 18.5299 179.1850 63 A 4.0549 7.8530 119.2398 55.2262 18.5590 179.8909 64 L 3.9005 8.0004 117.4624 57.9166 41.6016 179.3477 65 L 4.1849 7.9079 115.8958 55.9409 41.6108 177.5705 66 D 4.7817 7.4012 116.8868 53.1132 41.8899 175.9149 67 Q 4.2152 7.1492 116.6999 55.5440 29.5366 174.4267 68 P 4.3542 0.0000 0.0000 65.3325 31.4472 176.7944 69 I 4.3830 7.4829 117.2236 59.2113 38.9839 175.2526 70 V 3.6532 8.1920 125.7117 62.0596 32.2127 176.1091 71 D 4.6247 8.2385 126.8529 53.3997 40.3169 176.3279 72 F 4.4559 8.6202 125.3637 59.7938 39.1678 176.8057 73 D 4.3786 8.2189 118.7211 57.3045 40.7146 178.4647 74 K 3.9647 8.2258 119.7451 59.2201 32.0944 179.1068 75 V 3.6612 7.7568 118.4573 65.9963 31.4630 177.6025 76 D 4.2578 8.2236 117.6342 57.2550 41.1019 177.9718 77 A 3.9426 8.4325 121.7154 55.3900 18.2757 179.2583 78 Y 4.1135 7.8708 115.2224 61.1681 37.8176 178.8965 79 V 3.3391 7.9561 119.3988 65.9755 31.5662 177.3516 80 H 4.0151 8.2907 118.0731 59.5623 29.6658 177.1117 81 Q 3.9981 8.2295 119.6348 58.9611 28.4969 178.7015 82 L 3.9530 8.0387 121.4308 57.6990 42.0676 178.7920 83 K 3.9880 8.3898 120.1959 59.5319 32.1907 178.8951 84 G 3.6150 7.9971 105.8064 47.9544 0.0000 175.5523 85 S 4.2336 8.2221 116.1100 61.0250 62.3827 176.4120 86 S 4.3594 8.5332 117.0034 61.3969 62.9093 176.0885 87 A 4.0096 8.5691 125.1645 55.0536 17.7974 179.7115 88 S 4.2209 8.0290 111.7632 60.7623 62.9393 175.7162 89 V 4.3060 6.8788 113.7991 60.2474 31.7870 175.5726 90 G 4.0099 8.0599 107.6080 46.8834 0.0000 174.6374 91 A 4.9507 7.7115 123.2757 49.3853 15.4077 177.5750 92 Q 3.9936 8.1064 125.4203 58.9207 29.4588 178.2083 93 K 4.1498 7.9868 118.7211 59.1086 32.2484 179.3801 94 V 3.8019 7.7991 118.1594 65.9918 31.5626 177.7083 95 K 3.9476 8.2000 119.3912 59.5767 31.7470 178.5183 96 F 4.0565 8.2235 119.8974 61.5556 39.7032 176.7542 97 T 3.9534 8.2428 115.4460 67.1726 68.2888 176.2314 98 C 4.4628 8.4284 118.3568 63.0950 27.6736 175.9825 99 M 4.2074 7.8149 119.5912 57.7060 30.1884 177.8114 100 Q 4.1644 7.7978 117.1311 56.8364 29.1121 177.5410 101 F 4.2693 8.3782 119.6782 59.6283 38.8983 177.8428 102 R 3.9230 7.7336 117.9318 59.4229 29.9669 178.7072 103 Q 3.9545 8.0660 118.6941 58.9766 28.9975 178.2941 104 L 3.9437 7.3236 120.2599 58.0118 41.6673 179.1586 105 C 4.1900 8.7412 117.0302 62.7427 27.7888 175.9804 106 Q 3.8944 8.0211 120.5702 59.1208 28.7960 177.3904 107 D 4.3933 7.9799 116.8956 53.7947 41.4477 176.1321 108 K 2.0000 7.3068 118.4624 56.4163 30.3362 176.6649 109 N 4.6378 7.5096 117.7500 51.8249 38.1745 173.4636 110 R 4.0721 8.6577 126.6000 59.4336 30.2933 176.8946 111 D 4.5363 8.4095 118.0709 57.9195 40.7888 179.4674 112 G 3.5836 8.7537 105.8500 47.9995 0.0000 175.4956 113 C 4.0491 8.2629 119.0155 62.4408 28.1276 176.3346 114 I 3.7545 7.9732 121.5880 64.6305 36.7759 178.3370 115 M 4.0209 8.3795 119.7018 58.4570 31.8324 178.8027 116 A 3.8829 8.1925 121.1871 54.7626 18.2941 179.4907 117 L 4.1553 8.2577 119.4282 58.2896 42.1998 179.0476 118 A 3.9588 8.1301 120.8841 54.9955 18.3140 179.7475 119 V 3.5609 7.9150 117.1030 66.1403 31.5926 178.7177 120 V 3.7264 8.0050 118.9824 64.5929 31.1833 178.2390 121 R 3.6166 8.1182 119.4465 59.2565 29.8899 178.2238 122 N 4.2354 8.0840 116.0021 56.4488 38.6116 177.3011 123 E 3.9913 8.2472 119.9067 59.2171 29.4308 179.2154 124 F 4.3214 8.6767 121.0561 61.6042 39.4835 176.4501 125 Y 4.0151 7.8396 116.5379 61.2324 37.6067 178.3400 126 D 4.2531 8.0394 118.4845 57.4464 41.2341 178.2190 127 L 3.5850 7.6552 120.4870 57.8716 42.0125 178.7910 128 R 3.8709 8.3560 119.3146 59.6157 29.7414 178.2444 129 N 4.2626 8.1706 116.3116 56.0415 38.4304 177.6053 130 K 3.9330 7.6665 119.6927 59.6397 32.1621 179.2284 131 F 4.6295 8.1238 118.1392 60.8781 38.8599 178.0227 132 Q 4.0320 8.3884 117.8696 59.2194 28.5337 178.7327 133 T 3.8935 7.6382 110.7734 64.8043 68.8383 175.8388 134 M 4.0064 8.5533 121.5369 58.8405 32.0383 178.4170 135 L 4.0986 7.9874 117.2732 57.5762 41.7667 179.4492 136 Q 4.1428 7.8511 117.3085 59.6317 28.8449 177.5597 137 L 3.7742 8.0673 117.4760 58.2540 41.6596 177.3160 138 E 4.1485 8.3581 124.1539 57.2374 29.5419 177.3768 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 11 N 8.28 4.66 0.00 2.79 2.82 0.00 0.00 6.84 7.27 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 12 A 8.32 4.38 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 13 L 8.77 3.93 0.00 1.73 1.71 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.05 3.99 0.00 2.06 1.97 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.14 4.12 0.00 4.29 3.93 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 16 S 8.14 4.08 0.00 3.85 4.13 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 17 M 7.77 3.83 0.00 1.67 1.85 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.31 0.00 18 F 7.98 4.53 0.00 3.38 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 19 A 8.14 4.08 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 20 S 8.39 4.41 0.00 3.97 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 21 G 7.68 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 22 L 7.72 4.04 0.00 1.42 1.50 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.63 5.14 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 0.53 0.00 0.00 0.54 0.00 0.00 24 D 8.23 5.63 0.00 2.90 2.85 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 25 E 8.97 4.02 0.00 2.28 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 0.00 2.38 2.47 0.00 26 Q 8.24 3.99 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 27 F 8.47 4.23 0.00 3.45 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 28 Q 8.37 4.07 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 29 Q 7.55 3.92 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 30 L 7.49 4.10 0.00 1.60 1.34 0.93 1.21 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 31 Q 7.64 3.88 0.00 1.78 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 32 M 7.97 3.90 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 33 L 7.19 4.25 0.00 2.03 1.81 0.89 1.04 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 34 Q 7.50 4.15 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.13 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 *39 T 7.72 4.12 4.22 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 0.00 0.00 0.00 1.07 0.00 0.00 40 P 0.00 4.32 0.00 2.22 2.14 0.00 3.80 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 2.01 1.98 0.00 41 G 8.79 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 42 F 7.87 4.16 0.00 3.11 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 43 V 7.98 3.35 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 1.02 0.00 0.00 1.02 0.00 0.00 44 A 8.04 3.92 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 45 E 8.16 3.85 0.00 2.14 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 2.24 2.29 0.00 46 V 7.89 3.40 1.89 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 0.81 0.00 0.00 0.21 0.00 0.00 47 V 7.79 3.56 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 0.42 0.00 0.00 0.59 0.00 0.00 48 T 7.96 3.94 4.28 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 1.22 0.00 0.00 49 L 8.07 3.92 0.00 1.80 1.86 1.05 0.77 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 50 F 8.10 4.31 0.00 3.25 3.37 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 51 C 8.19 4.22 0.00 3.26 3.10 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 52 D 8.42 4.36 0.00 2.69 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 53 D 8.28 4.20 0.00 2.72 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 54 A 7.75 3.56 0.21 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 0.00 0.00 55 D 7.38 4.14 0.00 3.12 2.67 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 56 R 7.79 3.77 0.00 1.94 1.94 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 57 I 7.89 3.54 1.72 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 1.50 0.40 0.84 0.00 0.00 58 I 7.84 3.56 1.80 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.85 0.00 0.00 59 S 7.86 4.09 0.00 3.81 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 60 E 8.23 3.83 0.00 1.33 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 2.10 2.23 0.00 61 L 7.82 3.89 0.00 1.71 1.68 0.71 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.82 3.93 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 63 A 7.85 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 3.90 0.00 1.88 1.67 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.91 4.18 0.00 1.60 1.71 1.05 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 66 D 7.40 4.78 0.00 2.56 2.61 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 67 Q 7.15 4.22 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.65 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 68 P 0.00 4.35 0.00 2.03 2.13 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 69 I 7.48 4.38 1.87 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 1.30 0.88 0.94 0.00 0.00 70 V 8.19 3.65 1.24 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 -0.19 0.00 0.00 0.67 0.00 0.00 71 D 8.24 4.62 0.00 2.72 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 72 F 8.62 4.46 0.00 3.01 3.01 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 73 D 8.22 4.38 0.00 2.83 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 74 K 8.23 3.96 0.00 1.91 1.93 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.23 7.81 75 V 7.76 3.66 2.35 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 1.11 0.00 0.00 0.88 0.00 0.00 76 D 8.22 4.26 0.00 3.06 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 77 A 8.43 3.94 1.18 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 0.00 0.00 78 Y 7.87 4.11 0.00 3.06 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 79 V 7.96 3.34 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 0.80 0.00 0.00 -0.10 0.00 0.00 80 H 8.29 4.02 0.00 3.37 3.49 0.00 5.84 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 81 Q 8.23 4.00 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 82 L 8.04 3.95 0.00 1.66 1.73 0.77 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.39 3.99 0.00 1.92 1.95 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 84 G 8.00 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 0.00 0.00 0.00 85 S 8.22 4.23 0.00 4.05 4.14 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 86 S 8.53 4.36 0.00 4.19 4.39 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 87 A 8.57 4.01 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 88 S 8.03 4.22 0.00 4.08 4.05 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 89 V 6.88 4.31 2.05 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 0.59 0.00 0.00 0.32 0.00 0.00 90 G 8.06 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 0.00 0.00 0.00 91 A 7.71 4.95 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 92 Q 8.11 3.99 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 93 K 7.99 4.15 0.00 1.88 1.90 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.62 7.81 94 V 7.80 3.80 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 1.21 0.00 0.00 1.14 0.00 0.00 95 K 8.20 3.95 0.00 2.04 2.04 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.51 7.81 96 F 8.22 4.06 0.00 3.26 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 97 T 8.24 3.95 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 1.28 0.00 0.00 98 C 8.43 4.46 0.00 3.14 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 99 M 7.81 4.21 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 100 Q 7.80 4.16 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 101 F 8.38 4.27 0.00 3.24 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 0.00 102 R 7.73 3.92 0.00 1.93 1.99 0.00 3.40 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 1.67 1.70 0.00 103 Q 8.07 3.95 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 104 L 7.32 3.94 0.00 2.00 1.68 0.58 0.78 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 0.00 105 C 8.74 4.19 0.00 3.11 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 0.00 106 Q 8.02 3.89 0.00 2.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 107 D 7.98 4.39 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.31 2.00 0.00 1.52 1.32 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.65 1.14 7.81 109 N 7.51 4.64 0.00 2.77 2.80 0.00 0.00 6.88 7.06 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 0.00 110 R 8.66 4.07 0.00 2.13 2.03 0.00 3.31 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 111 D 8.41 4.54 0.00 2.97 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 0.00 112 G 8.75 3.58 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 0.00 113 C 8.26 4.05 0.00 3.30 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 0.00 114 I 7.97 3.75 2.01 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 1.54 1.04 0.92 0.00 0.00 115 M 8.38 4.02 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 116 A 8.19 3.88 0.55 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 0.00 117 L 8.26 4.16 0.00 2.06 1.92 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.13 3.96 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 V 7.91 3.56 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 1.08 0.00 0.00 nan 0.00 0.00 120 V 8.01 3.73 2.40 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 0.94 0.00 0.00 1.03 0.00 0.00 121 R 8.12 3.62 0.00 1.91 1.98 0.00 3.02 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 0.68 1.21 0.00 122 N 8.08 4.24 0.00 2.77 2.84 0.00 0.00 7.10 7.13 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 0.00 123 E 8.25 3.99 0.00 2.32 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 2.36 2.34 0.00 124 F 8.68 4.32 0.00 3.08 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 0.00 125 Y 7.84 4.02 0.00 2.88 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 0.00 126 D 8.04 4.25 0.00 2.78 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 0.00 127 L 7.66 3.59 0.00 1.79 1.69 0.74 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.36 3.87 0.00 0.98 1.58 0.00 2.85 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 129 N 8.17 4.26 0.00 2.80 2.78 0.00 0.00 7.08 7.69 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 0.00 130 K 7.67 3.93 0.00 1.53 1.70 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.40 7.81 131 F 8.12 4.63 0.00 3.16 3.01 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 0.00 132 Q 8.39 4.03 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 133 T 7.64 3.89 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 1.29 0.00 0.00 134 M 8.55 4.01 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.87 0.00 135 L 7.99 4.10 0.00 1.68 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.85 4.14 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 137 L 8.07 3.77 0.00 1.89 1.67 0.95 1.26 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 0.00 138 E 8.36 4.15 0.00 2.02 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 2.39 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.