NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3096 8.2431 119.0743 56.3374 32.2815 176.4007 3 G 3.7894 7.7670 108.0394 44.3577 0.0000 172.2709 4 C 4.5982 8.3443 118.4932 57.6746 40.9246 172.7690 5 H 4.7934 8.2057 116.8234 53.1240 29.5359 174.7126 6 I 3.8030 7.8659 115.5170 64.3054 37.6524 177.2431 7 A 4.1268 7.9361 121.0420 53.8288 18.0236 178.9340 8 Q 3.9555 8.2026 117.2360 58.7159 28.5681 177.9714 9 F 4.6312 7.6921 118.0664 59.0734 39.2015 177.4531 10 K 4.1097 7.6102 116.7433 58.8191 31.8026 178.3011 11 S 4.4286 7.6744 114.1508 59.3223 64.3895 175.5536 12 L 3.4125 8.2077 123.0423 56.0046 41.2537 173.8541 13 S 4.6844 8.1945 107.6194 56.0939 66.1140 175.5818 14 P 4.3080 0.0000 0.0000 66.1493 31.0316 179.0544 15 Q 3.9625 8.0135 116.0274 58.9994 28.7355 178.2416 16 E 3.9921 7.9254 119.0888 59.5446 29.5377 179.1202 17 L 4.1838 8.3839 119.3751 58.2406 41.7434 179.6198 18 Q 3.9746 8.1826 118.6584 59.3149 28.6897 178.1262 19 A 3.9635 8.0616 121.6880 55.0961 18.2016 179.6885 20 F 4.1170 8.5979 116.8697 60.3503 38.9464 177.7489 21 K 3.9802 8.4467 119.5886 59.7501 31.9943 178.8524 22 R 3.8335 8.2562 118.0737 59.2280 29.8930 178.8422 23 A 3.9784 7.6451 119.9036 55.0660 18.3707 179.6164 24 K 3.9115 8.4438 118.4121 59.8687 32.2721 178.6430 25 D 4.3873 8.9722 119.6593 57.4242 40.4824 178.8151 26 A 4.0417 8.0112 120.3714 54.8688 18.6390 179.4094 27 L 4.0534 8.2686 117.8684 58.1549 41.8954 179.3670 28 E 3.9693 8.5004 118.7557 59.7664 29.2510 179.2916 29 E 4.0415 7.9447 117.4401 58.5037 29.7822 177.8214 30 S 4.4579 8.0666 111.5163 59.1530 62.7696 174.9407 31 L 4.3252 7.6503 120.6675 57.1287 41.4983 178.7072 32 L 4.1091 7.9807 118.3741 56.4793 42.9597 177.8033 33 L 4.2669 7.0409 118.1237 54.2327 39.1113 175.7126 34 K 4.0357 7.6992 122.3258 56.6720 32.1331 175.4958 35 D 5.1917 7.9862 119.4496 52.8947 43.4143 176.1861 36 C 4.3205 8.5673 116.9818 60.8172 28.6984 173.1456 37 K 4.4952 8.1726 120.2921 55.9252 34.4867 178.1889 38 C 4.2284 8.6137 119.6109 56.9064 39.3486 172.8095 39 R 4.3166 8.1090 114.7752 57.4515 32.6861 173.4868 40 S 4.5821 7.7273 111.5718 58.3417 67.2862 173.1801 41 R 4.5783 8.1591 120.0018 54.5380 31.6662 176.5267 42 L 3.7301 8.3602 123.5902 56.8298 42.0062 177.4575 43 F 5.2010 7.3598 115.5822 54.7567 39.7123 171.7266 44 P 4.5270 0.0000 0.0000 62.4326 32.1136 177.6833 45 R 4.3768 8.7642 120.1209 57.4767 29.9559 177.2453 46 T 4.2928 7.8897 108.5428 61.9195 69.8607 174.5356 47 W 4.7390 7.7006 130.6478 55.9426 32.9038 174.1770 48 D 4.1918 6.0500 118.3400 52.6315 43.3111 176.2744 49 L 3.3218 7.8695 124.7145 57.7015 41.7039 179.2526 50 R 4.0184 7.6827 115.4518 57.5274 30.1350 177.7649 51 Q 3.8676 7.3835 117.9712 58.5350 28.7704 176.7236 52 L 4.3308 6.9187 116.4216 53.8742 42.7085 176.4550 53 Q 4.2903 8.2193 118.1273 55.4739 29.5973 177.7359 54 V 3.6057 8.5724 114.4191 64.9355 31.3399 179.0893 55 R 4.1102 7.9874 113.3652 58.4339 29.1480 177.5209 56 E 4.4440 8.3359 119.0597 57.5638 30.2896 178.0958 57 R 3.9384 7.5482 117.1714 58.7274 29.9841 176.9734 58 P 4.2392 0.0000 0.0000 65.8015 31.4478 178.7804 59 V 3.6609 7.8725 116.1047 65.7318 31.4049 177.8298 60 A 4.4099 7.8589 120.0349 55.0944 18.2280 179.1397 61 L 3.9631 8.1400 118.9791 58.4891 42.0804 178.8178 62 E 3.9969 8.5675 118.4751 59.4857 29.4196 179.0806 63 A 4.0696 8.1069 120.4299 55.3125 18.4428 178.8799 64 E 4.0275 8.7891 117.9640 59.7370 29.6292 179.0620 65 L 3.9189 8.6647 119.0378 57.8706 41.6650 179.2633 66 A 3.9810 8.7269 121.2231 55.1491 18.1902 179.4536 67 L 3.8438 8.0993 118.6292 58.7301 42.1602 179.2225 68 T 3.8720 8.1149 112.7505 64.6325 67.0319 175.8512 69 L 3.9644 8.2471 123.1897 57.7130 42.1833 178.6186 70 K 3.9175 8.1735 119.8747 59.5640 32.1606 179.0401 71 V 3.5865 7.9814 118.6105 66.0171 31.5496 177.9572 72 L 4.0930 7.7277 118.1459 57.1185 41.4948 179.2672 73 E 4.0231 8.0229 119.1887 59.0925 29.6127 178.7664 74 A 4.0249 7.9402 120.7528 55.4029 18.3927 179.9530 75 T 3.7817 8.1509 114.0031 66.7793 68.3944 176.6725 76 A 4.0016 7.8116 121.2646 55.4810 18.3356 179.3118 77 D 4.4020 7.7789 115.7769 57.9324 41.1405 178.7615 78 T 4.2306 7.6664 111.6364 63.4242 67.6500 173.0651 79 D 4.6610 7.9599 118.8079 50.7682 42.4437 173.3507 80 P 4.3834 0.0000 0.0000 65.4785 30.9325 178.2199 81 A 3.9936 8.0264 118.9858 55.0547 18.4308 179.0820 82 L 4.1869 8.2524 117.9464 57.3931 42.1624 179.1601 83 G 3.7339 7.9410 105.7456 47.7250 0.0000 175.5029 84 D 4.6511 7.6150 120.5070 56.0385 40.8818 177.9255 85 V 3.9989 7.2590 115.4371 63.5222 32.1822 176.6544 86 L 4.4511 7.4905 116.7696 55.6754 42.5609 177.5045 87 D 4.3543 7.9306 119.6488 57.9160 40.7268 178.8513 88 Q 3.9989 7.8321 118.7325 58.7200 29.2109 176.0632 89 P 3.6569 0.0000 0.0000 65.4774 31.2126 178.4784 90 L 4.0097 8.3279 118.0363 57.9334 41.5193 178.9249 91 H 4.1181 8.0458 117.8080 59.8541 29.8498 177.3690 92 T 3.9780 8.2907 117.7129 66.6394 68.2305 176.3503 93 L 4.0564 8.3158 122.5302 58.3610 42.0910 178.8420 94 H 4.1295 8.4278 116.4490 59.0422 28.6039 177.0605 95 H 4.1356 8.3644 120.0563 59.3810 29.6390 177.1996 96 I 3.1239 7.8062 121.3561 64.2353 36.9583 178.2458 97 L 3.8726 7.5976 120.6265 57.9280 41.9134 178.7588 98 S 4.0682 8.4802 113.5122 61.7247 62.1631 176.1811 99 Q 4.0618 7.9659 119.2753 58.7852 28.5425 178.5301 100 L 4.1177 7.7857 121.3164 58.3418 42.0433 179.1259 101 R 4.0877 7.9265 115.1739 57.8503 30.2187 177.7414 102 A 4.4704 7.5420 118.7143 52.7628 19.1205 176.7829 103 C 4.9845 7.7586 112.4481 56.3377 42.2338 174.5387 104 I 3.9790 8.0456 123.5686 62.0230 38.0189 177.9070 105 Q 3.5133 7.9750 114.0016 55.9619 26.4341 175.9791 *117 R 4.4973 7.8877 115.3585 56.4541 31.5959 175.6513 118 L 4.7931 7.9330 115.0218 55.8158 41.2123 176.7594 119 H 4.7990 8.0600 116.2257 56.8211 29.8311 175.6899 120 H 4.2977 8.3876 119.1740 58.1066 30.1834 176.0246 121 W 4.1749 7.9923 129.5453 59.2345 30.9957 177.6163 122 L 3.7573 7.6946 120.0208 58.5091 41.7455 178.2001 123 H 3.9792 8.1144 117.9976 59.4574 29.4709 177.0670 124 R 3.6872 7.3726 119.0360 59.1945 29.7328 178.2162 125 L 3.7839 6.9996 116.5261 56.4916 41.5015 178.8469 126 Q 4.0671 7.3015 117.9766 58.0488 29.6178 177.0048 127 E 4.2779 7.5166 118.9846 56.5539 29.3616 176.3273 128 A 4.4190 7.3850 121.4744 53.5786 21.3476 177.2050 129 P 4.5192 0.0000 0.0000 63.5396 31.3038 177.0057 130 K 4.5508 7.7451 115.3284 56.0724 33.5161 176.1758 131 K 4.5149 8.0017 118.0025 55.7856 33.5863 175.2404 132 E 4.7769 7.6678 116.6988 54.2953 33.5480 175.0999 133 S 4.3451 8.2507 115.7391 57.3775 65.4106 173.3194 134 P 4.3160 0.0000 0.0000 66.0448 31.1307 179.1195 135 G 3.6120 8.0620 103.7161 47.8224 0.0000 175.9029 136 C 4.2530 7.7040 120.4834 59.5365 44.5380 175.5473 137 L 3.8993 7.9409 120.4193 57.8664 41.3638 179.1602 138 E 3.8545 8.5135 119.1964 59.3471 29.5612 178.8282 139 A 3.5285 8.0689 120.7009 54.8957 18.4432 179.6584 140 S 4.2777 8.3153 114.0703 62.1996 63.1745 177.5171 141 V 3.7587 8.2245 114.9219 64.3864 30.9821 179.0757 142 T 3.8155 7.3838 114.7086 66.7713 68.4271 176.6151 143 F 4.6660 7.5181 118.1442 60.3872 39.2521 176.7392 144 N 4.5483 8.3222 115.7055 54.9508 38.7387 176.2447 145 L 3.7875 7.5541 121.8702 58.8997 42.0900 178.6467 146 F 4.0365 8.2562 119.5484 61.3583 39.2687 176.9812 147 R 3.8782 8.0188 117.8057 58.8038 29.8516 178.2021 148 L 3.8179 7.7235 120.4887 58.0255 41.9062 178.9539 149 L 3.7365 7.4225 117.8656 57.4668 41.6228 178.7422 150 T 4.0641 7.1508 107.6537 63.2098 69.6643 175.2813 151 R 4.1863 7.4742 119.6382 57.5747 31.1588 177.2894 152 D 4.2867 8.5342 118.2736 57.4485 41.1479 178.8480 153 L 3.8549 7.9036 120.4367 58.3517 41.8786 178.2938 154 N 4.2000 8.1008 114.8446 56.9408 38.8628 176.5723 155 C 4.3133 8.2638 119.8295 59.8003 38.7979 175.8935 156 V 3.5077 7.6576 119.0320 65.8730 30.9980 177.6188 157 A 4.2290 8.1674 118.7294 54.0834 18.2469 178.4866 158 S 4.5486 7.9004 112.8550 56.7887 64.3543 175.5022 159 G 3.8811 8.3971 110.8560 46.6745 0.0000 177.0175 160 D 4.5480 8.9486 124.6649 55.6767 40.6681 176.2270 161 L 4.5850 7.3444 119.5282 55.6073 40.8486 176.0950 162 C 4.7523 7.8999 120.4890 55.9434 44.0386 173.8657 163 V 3.9745 8.0731 118.8691 61.2735 31.7395 176.0142 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 R 8.24 4.31 0.00 1.85 1.92 0.00 3.23 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 3 G 7.77 3.79 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 0.00 0.00 0.00 4 C 8.34 4.60 0.00 2.95 3.02 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 5 H 8.21 4.79 0.00 3.01 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.87 3.80 2.01 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 1.58 0.59 1.00 0.00 0.00 7 A 7.94 4.13 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 8 Q 8.20 3.96 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.78 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 9 F 7.69 4.63 0.00 3.15 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 10 K 7.61 4.11 0.00 1.95 1.88 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 11 S 7.67 4.43 0.00 3.79 3.90 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 12 L 8.21 3.41 0.00 1.76 1.53 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.19 4.68 0.00 4.18 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 14 P 0.00 4.31 0.00 2.21 2.20 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 15 Q 8.01 3.96 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 16 E 7.93 3.99 0.00 2.31 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 0.00 2.46 2.45 0.00 17 L 8.38 4.18 0.00 1.92 1.90 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.18 3.97 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 19 A 8.06 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.60 4.12 0.00 3.40 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 21 K 8.45 3.98 0.00 1.89 2.06 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.51 7.81 22 R 8.26 3.83 0.00 1.89 1.98 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 23 A 7.65 3.98 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 24 K 8.44 3.91 0.00 1.91 2.04 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.26 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.55 7.81 25 D 8.97 4.39 0.00 2.90 2.73 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 0.00 0.00 0.00 0.00 26 A 8.01 4.04 1.35 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 0.00 0.00 0.00 27 L 8.27 4.05 0.00 1.83 1.68 0.92 0.84 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 28 E 8.50 3.97 0.00 2.03 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 2.49 2.56 0.00 29 E 7.94 4.04 0.00 2.14 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 2.33 2.37 0.00 30 S 8.07 4.46 0.00 3.94 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 31 L 7.65 4.33 0.00 1.95 1.71 0.76 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.98 4.11 0.00 1.63 1.75 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.04 4.27 0.00 1.80 1.71 0.98 0.73 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 34 K 7.70 4.04 0.00 1.95 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.45 7.81 35 D 7.99 5.19 0.00 2.62 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 36 C 8.57 4.32 0.00 2.96 2.89 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 0.00 0.00 0.00 0.00 37 K 8.17 4.50 0.00 1.76 1.73 0.00 2.02 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 C 8.61 4.23 0.00 3.11 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 39 R 8.11 4.32 0.00 1.70 1.83 0.00 3.22 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 40 S 7.73 4.58 0.00 3.90 3.65 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 41 R 8.16 4.58 0.00 1.77 1.86 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 42 L 8.36 3.73 0.00 0.70 0.13 0.68 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.36 5.20 0.00 3.14 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 44 P 0.00 4.53 0.00 2.37 2.08 0.00 3.89 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 2.23 2.18 0.00 45 R 8.76 4.38 0.00 1.86 2.02 0.00 3.46 0.00 0.00 3.36 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 46 T 7.89 4.29 4.33 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 1.27 0.00 0.00 47 W 7.70 4.74 0.00 3.33 3.21 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 48 D 6.05 4.19 0.00 2.50 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 0.00 0.00 0.00 49 L 7.87 3.32 0.00 1.55 1.51 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.68 4.02 0.00 1.68 1.83 0.00 3.05 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 51 Q 7.38 3.87 0.00 1.53 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.94 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 52 L 6.92 4.33 0.00 1.57 1.64 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.22 4.29 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 54 V 8.57 3.61 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 1.09 0.00 0.00 0.97 0.00 0.00 55 R 7.99 4.11 0.00 1.97 2.07 0.00 3.18 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 56 E 8.34 4.44 0.00 2.10 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 0.00 2.27 2.50 0.00 57 R 7.55 3.94 0.00 1.87 1.95 0.00 3.08 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 58 P 0.00 4.24 0.00 2.17 2.12 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 59 V 7.87 3.66 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 1.11 0.00 0.00 0.97 0.00 0.00 60 A 7.86 4.41 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 61 L 8.14 3.96 0.00 1.93 1.84 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.57 4.00 0.00 2.21 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 0.00 2.34 2.56 0.00 63 A 8.11 4.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 4.03 0.00 2.59 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 0.00 2.29 2.69 0.00 65 L 8.66 3.92 0.00 1.94 1.67 0.84 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.73 3.98 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 67 L 8.10 3.84 0.00 1.89 1.85 0.87 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 68 T 8.11 3.87 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 1.27 0.00 0.00 69 L 8.25 3.96 0.00 1.97 1.75 0.81 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.17 3.92 0.00 2.00 1.95 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 V 7.98 3.59 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 0.96 0.00 0.00 0.98 0.00 0.00 72 L 7.73 4.09 0.00 1.78 1.72 0.99 0.91 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 73 E 8.02 4.02 0.00 2.17 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 2.36 2.54 0.00 74 A 7.94 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 75 T 8.15 3.78 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 1.26 0.00 0.00 76 A 7.81 4.00 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 77 D 7.78 4.40 0.00 2.84 2.73 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 0.00 0.00 0.00 0.00 78 T 7.67 4.23 4.34 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 1.26 0.00 0.00 79 D 7.96 4.66 0.00 2.62 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 80 P 0.00 4.38 0.00 2.19 2.09 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 81 A 8.03 3.99 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 82 L 8.25 4.19 0.00 1.81 1.85 0.92 0.96 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 83 G 7.94 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.61 4.65 0.00 2.79 2.73 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 0.00 0.00 0.00 0.00 85 V 7.26 4.00 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 0.86 0.00 0.00 0.92 0.00 0.00 86 L 7.49 4.45 0.00 1.75 1.67 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.93 4.35 0.00 2.70 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 88 Q 7.83 4.00 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 89 P 0.00 3.66 0.00 1.98 1.20 0.00 3.59 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 2.14 1.79 0.00 90 L 8.33 4.01 0.00 1.85 1.77 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.05 4.12 0.00 3.29 3.49 0.00 5.59 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 92 T 8.29 3.98 4.44 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 1.52 0.00 0.00 93 L 8.32 4.06 0.00 2.12 1.85 0.91 1.41 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 94 H 8.43 4.13 0.00 3.43 3.30 0.00 5.88 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.36 4.14 0.00 3.26 3.57 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 96 I 7.81 3.12 1.86 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 0.78 0.54 0.47 0.00 0.00 97 L 7.60 3.87 0.00 1.69 1.74 0.90 1.17 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 98 S 8.48 4.07 0.00 3.95 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 99 Q 7.97 4.06 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 100 L 7.79 4.12 0.00 1.87 1.73 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.93 4.09 0.00 1.85 1.98 0.00 3.21 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 102 A 7.54 4.47 1.35 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 0.00 0.00 0.00 103 C 7.76 4.98 0.00 2.93 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 0.00 104 I 8.05 3.98 1.89 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 1.52 0.84 0.93 0.00 0.00 105 Q 7.97 3.51 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.17 1.90 0.00 *117 R 7.89 4.50 0.00 1.87 2.12 0.00 3.45 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 118 L 7.93 4.79 0.00 1.99 1.91 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.06 4.80 0.00 3.21 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.39 4.30 0.00 3.19 3.39 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.99 4.17 0.00 2.95 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 0.00 122 L 7.69 3.76 0.00 2.12 1.67 0.88 0.99 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 0.00 123 H 8.11 3.98 0.00 3.28 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.37 3.69 0.00 1.87 1.57 0.00 3.08 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 125 L 7.00 3.78 0.00 1.39 1.38 0.12 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 7.30 4.07 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.61 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 127 E 7.52 4.28 0.00 1.71 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 2.25 2.27 0.00 128 A 7.39 4.42 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 0.00 129 P 0.00 4.52 0.00 2.01 2.07 0.00 3.70 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 1.96 2.01 0.00 130 K 7.75 4.55 0.00 1.76 1.80 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.31 7.81 131 K 8.00 4.51 0.00 1.65 1.88 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.28 1.32 7.81 132 E 7.67 4.78 0.00 2.03 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 0.00 2.20 2.11 0.00 133 S 8.25 4.35 0.00 4.04 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 0.00 134 P 0.00 4.32 0.00 2.16 2.15 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 135 G 8.06 3.61 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 0.00 136 C 7.70 4.25 0.00 2.90 3.31 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 0.00 137 L 7.94 3.90 0.00 1.86 1.70 0.89 0.65 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 0.00 138 E 8.51 3.85 0.00 2.05 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 0.00 2.23 2.29 0.00 139 A 8.07 3.53 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 0.00 140 S 8.32 4.28 0.00 4.13 4.07 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 0.00 141 V 8.22 3.76 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 1.10 0.00 0.00 1.03 0.00 0.00 142 T 7.38 3.82 3.91 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 1.07 0.00 0.00 143 F 7.52 4.67 0.00 3.15 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 0.00 144 N 8.32 4.55 0.00 2.84 2.45 0.00 0.00 6.72 6.53 0.00 0.00 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 L 7.55 3.79 0.00 2.12 1.73 1.07 0.42 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 0.00 146 F 8.26 4.04 0.00 3.08 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 0.00 147 R 8.02 3.88 0.00 1.98 2.20 0.00 3.26 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 148 L 7.72 3.82 0.00 1.73 1.64 0.80 0.28 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 0.00 149 L 7.42 3.74 0.00 1.26 1.35 -0.31 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 150 T 7.15 4.06 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 0.25 0.00 0.00 151 R 7.47 4.19 0.00 1.83 2.00 0.00 3.20 0.00 0.00 3.31 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 152 D 8.53 4.29 0.00 2.79 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 0.00 153 L 7.90 3.85 0.00 1.75 1.79 0.80 0.45 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 0.00 154 N 8.10 4.20 0.00 2.75 3.04 0.00 0.00 6.89 7.65 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 0.00 155 C 8.26 4.31 0.00 3.06 3.22 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 0.00 156 V 7.66 3.51 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 0.97 0.00 0.00 0.91 0.00 0.00 157 A 8.17 4.23 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 0.00 158 S 7.90 4.55 0.00 3.95 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 0.00 159 G 8.40 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 0.00 160 D 8.95 4.55 0.00 2.67 2.73 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 0.00 0.00 0.00 0.00 161 L 7.34 4.59 0.00 1.70 1.71 0.91 0.80 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 0.00 162 C 7.90 4.75 0.00 2.94 3.14 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 0.00 163 V 8.07 3.97 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 0.73 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.