NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.8404 0.0000 0.0000 61.8834 33.0444 174.8167 2 L 5.2250 7.8356 121.9057 51.4334 44.1476 174.4161 3 R 4.8322 9.2170 117.8649 54.2458 34.0925 173.6043 4 L 4.2416 8.6192 122.8124 55.4261 42.5556 177.1022 5 G 3.9396 8.9494 115.3301 44.6642 0.0000 172.6791 6 G 4.1336 8.2388 107.0491 45.5708 0.0000 173.6226 7 N 4.3736 8.4117 112.2510 52.2625 38.4162 175.2774 8 G 3.8960 8.5449 104.9451 46.6062 0.0000 173.5636 9 Q 4.5873 7.8911 119.3241 54.0536 30.5455 175.2300 10 L 4.6211 8.7456 124.6568 55.0100 42.4478 176.1305 11 Q 4.8652 9.3274 125.3801 54.4555 31.8761 173.3567 12 Y 5.2857 8.7943 126.6964 55.8739 41.0612 174.5359 13 W 5.1635 7.7928 122.0111 54.3892 31.3163 172.8105 14 P 3.9886 0.0000 0.0000 61.7244 31.8294 176.0631 15 F 4.0124 8.1614 118.3642 58.0765 39.3097 176.0447 16 S 4.1939 8.8797 119.6306 58.3839 63.4860 174.9247 17 S 3.8876 8.7882 124.5991 61.5943 62.4964 176.7346 18 S 4.0820 7.9729 117.2471 61.2551 62.5515 175.8202 19 D 3.8187 7.3998 122.5632 56.6695 40.3277 178.8624 20 L 3.7050 6.6901 118.8766 58.1186 41.6494 179.3817 21 Y 4.3160 7.5245 116.3953 61.2053 37.3329 178.2485 22 N 4.3443 8.9525 118.6309 56.2914 38.3530 177.4641 23 W 4.5361 7.8569 119.6674 59.4730 29.2796 178.2673 24 K 4.1760 7.9568 120.1858 59.4975 31.6422 178.4960 25 N 4.4244 8.3302 115.9093 55.2979 38.6284 175.4940 26 N 4.9668 7.8077 112.8621 52.8508 39.6567 174.0945 27 N 5.1625 8.2131 115.6896 50.3179 42.4009 172.5854 28 P 4.4776 0.0000 0.0000 62.1053 32.3693 176.3997 29 S 4.3184 8.5383 114.6275 58.4145 63.4333 175.0432 30 F 4.2126 9.0639 123.3062 61.8460 38.7793 176.4955 31 S 4.0670 7.6956 114.9531 61.6045 63.0798 175.4791 32 E 3.9604 7.8846 119.7302 59.5391 29.4367 178.4732 33 D 4.2944 8.1208 118.6225 51.8685 43.8572 173.6549 34 P 4.3059 0.0000 0.0000 65.1081 31.5314 178.4814 35 G 3.6200 8.0063 105.9813 48.3586 0.0000 174.9960 36 K 4.0963 8.1506 120.7681 58.2168 31.8265 178.4943 37 L 4.0239 7.9129 119.9711 57.5666 42.0223 179.3449 38 T 4.1268 7.6494 115.1592 65.6070 69.0722 176.5243 39 A 3.9518 7.8034 122.7045 55.1976 18.3133 179.4548 40 L 3.6767 7.7764 118.4798 58.2757 42.1606 179.3138 41 I 3.4251 7.2539 119.4268 64.3702 37.1563 177.7848 42 E 3.9628 8.3871 120.5454 59.4922 29.1622 179.1067 43 S 4.0632 7.7059 112.3782 61.3315 62.5891 175.9837 44 V 3.8276 7.6522 122.6399 65.5071 30.8848 177.9638 45 L 4.2905 8.2418 117.4409 57.1433 41.7885 178.8321 46 T 4.3489 7.4248 114.9967 65.4533 69.2066 176.8002 47 T 3.9623 8.1368 111.3932 65.2131 68.9828 175.4024 48 H 4.4674 9.0149 118.5543 54.9145 29.7328 175.0514 49 Q 3.4910 7.4514 117.5789 56.2080 26.4534 172.5278 50 P 4.3222 0.0000 0.0000 62.3879 32.8043 178.1814 51 T 4.2865 8.4781 111.8611 60.9092 71.7071 174.7338 52 W 3.8082 8.6422 128.9105 61.0833 30.8026 177.9221 53 D 4.2509 8.4071 118.3122 57.4911 40.2736 178.3034 54 D 4.4287 8.0404 119.0156 57.7819 40.6946 178.8118 55 C 4.1772 8.0406 117.1961 62.7869 28.0926 176.0627 56 Q 3.7999 7.4442 118.9331 58.2099 28.3079 178.1423 57 Q 3.9283 7.9283 121.0699 58.8110 29.2934 177.0802 58 L 3.7151 8.0661 121.3250 58.6304 41.9581 179.1102 59 L 4.0125 8.4168 118.9185 57.4455 41.3831 179.6437 60 G 3.6805 7.7291 104.8124 48.4962 0.0000 175.6881 61 T 4.1053 7.6957 117.0004 65.2092 68.4760 176.0799 62 L 4.5266 7.6457 118.9710 54.1115 42.9888 176.3739 63 L 4.7797 7.5029 117.7924 53.0246 44.2671 175.5340 64 T 4.5370 8.7085 110.2064 60.4430 70.8619 176.5139 65 G 4.0111 8.5987 110.6904 48.1985 0.0000 176.0559 66 E 4.0253 7.8183 121.3666 59.0195 29.5986 179.2508 67 E 4.0369 8.3371 118.7536 59.1918 29.5222 179.0842 68 K 3.9928 7.8608 118.6407 58.5591 32.5932 178.1658 69 Q 4.0705 7.9036 119.6716 59.1146 28.7971 178.5481 70 R 3.9085 7.8084 119.8538 59.1332 30.2241 178.4829 71 V 3.5158 7.5563 117.5538 65.9484 31.4824 177.7934 72 L 3.9860 8.4047 118.8269 57.9504 41.3390 179.5940 73 L 3.9593 7.7998 118.4160 58.0112 41.4045 179.3783 74 E 3.8860 8.5728 117.1853 59.4640 29.5299 179.0699 75 A 3.8365 8.1442 121.0800 55.0923 18.1681 179.7172 76 R 3.8638 7.5904 115.1719 58.3466 30.4048 179.1132 77 K 4.1554 7.6878 118.8946 58.9308 31.9320 178.2880 78 A 4.3617 7.8551 120.7664 52.3965 18.1722 177.9526 79 V 3.8302 7.8448 124.4700 63.9421 30.5895 176.3230 80 R 4.2295 8.3650 129.0944 55.4379 29.3269 174.2567 *87 T 4.2972 8.2371 117.8994 60.9663 69.9273 172.2744 88 Q 4.6562 8.2172 124.2296 53.7037 29.4607 175.2001 89 L 4.3656 8.2698 120.4384 54.2270 41.7216 178.4015 90 P 4.2938 0.0000 0.0000 64.8220 31.7953 178.2155 91 N 4.4201 8.2954 115.9058 56.0511 37.2235 176.6471 92 E 4.1593 8.0923 118.6072 57.8598 30.0321 178.6190 93 V 3.8136 7.7561 118.8608 66.1429 30.8584 177.5626 94 D 4.4826 7.8899 117.1955 56.8064 40.5929 178.5680 95 A 4.3099 8.5044 120.6995 54.0216 18.3494 178.4869 96 A 4.8322 7.5201 118.3656 52.8499 21.7193 177.2951 97 F 4.8260 8.2832 117.8689 55.7007 39.2155 172.4077 98 P 4.6138 0.0000 0.0000 62.3006 32.5904 177.4182 99 L 4.4758 8.4922 119.9246 57.3165 42.3014 177.7593 100 E 4.1511 7.7930 115.9687 55.2769 30.1810 176.3774 101 R 2.0000 7.8418 121.6163 54.9319 29.8350 174.8743 102 P 3.8167 0.0000 0.0000 62.0023 31.7500 176.5520 103 D 4.4473 7.9540 117.3091 53.4769 39.6766 176.5934 104 W 4.2742 6.9546 119.7613 57.7946 29.4962 175.2245 105 D 4.6703 8.6539 123.3131 52.3573 40.2000 176.0946 106 Y 4.2720 8.4336 125.9235 59.6960 38.0960 177.6444 107 T 4.0097 7.1053 109.4364 62.7654 69.2040 174.2762 108 T 4.6015 7.7283 113.6132 60.6315 72.6241 174.2775 109 T 4.0233 8.3052 117.5290 65.6034 68.4722 176.4666 110 E 3.9152 8.2271 119.0222 60.0757 29.1659 179.7209 111 G 3.5673 8.0918 106.1921 47.5281 0.0000 176.0122 112 R 3.9990 7.9246 120.4491 59.0286 30.0271 178.8390 113 N 4.2462 8.2520 116.4393 56.5817 38.4579 176.8779 114 H 3.6367 7.7906 117.3685 58.7196 28.6330 177.4178 115 L 3.9846 7.0296 120.1861 58.1830 41.3335 180.0661 116 V 3.6104 7.8568 116.8333 65.8114 31.7409 177.4597 117 L 4.3482 8.0546 121.7219 57.8650 41.8851 177.8108 118 Y 4.3412 8.4487 119.7747 61.3222 38.5733 178.4501 119 R 4.2101 8.0777 116.1545 58.2450 30.1777 178.2807 120 Q 4.3055 8.2158 118.5662 58.3828 29.4693 177.6022 121 L 3.9191 8.0188 119.3658 57.8762 41.5182 179.1209 122 L 3.9959 8.3094 119.8742 56.9805 42.2284 178.4233 123 L 3.8693 7.8766 119.7633 58.0723 42.1319 178.2502 124 A 4.2688 7.6314 122.5107 54.5009 18.1249 179.6983 125 G 3.4534 7.7860 103.5912 47.9996 0.0000 175.5473 126 L 4.0251 7.7087 120.8172 57.5504 42.1098 179.5807 127 Q 4.1749 8.6687 117.8529 59.1208 28.5807 178.7199 128 N 4.4175 8.3487 117.2382 56.2501 38.4842 177.2641 129 A 4.1988 8.1642 120.8585 54.5177 18.4591 178.9651 130 G 3.7520 7.9731 105.5180 46.9406 0.0000 174.7754 131 R 4.1390 7.5912 123.2554 56.2614 29.4693 178.8943 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 1 P 0.00 3.84 0.00 0.49 1.02 0.00 2.31 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.74 0.00 2 L 7.84 5.22 0.00 1.52 1.53 0.81 -0.12 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 3 R 9.22 4.83 0.00 1.88 2.19 0.00 2.49 0.00 0.00 2.57 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 4 L 8.62 4.24 0.00 1.69 1.66 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.95 3.94 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 0.00 6 G 8.24 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 0.00 0.00 0.00 7 N 8.41 4.37 0.00 2.77 2.84 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.54 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 0.00 0.00 0.00 9 Q 7.89 4.59 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 10 L 8.75 4.62 0.00 1.71 1.98 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.33 4.87 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 12 Y 8.79 5.29 0.00 2.82 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 13 W 7.79 5.16 0.00 3.13 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 14 P 0.00 3.99 0.00 2.20 2.16 0.00 3.91 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 2.03 2.07 0.00 15 F 8.16 4.01 0.00 3.10 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 16 S 8.88 4.19 0.00 3.94 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 17 S 8.79 3.89 0.00 4.03 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 18 S 7.97 4.08 0.00 4.00 4.15 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 19 D 7.40 3.82 0.00 2.19 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 6.69 3.71 0.00 1.23 1.30 0.69 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.52 4.32 0.00 2.96 2.86 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 22 N 8.95 4.34 0.00 2.49 2.79 0.00 0.00 7.04 7.55 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 23 W 7.86 4.54 0.00 3.53 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 24 K 7.96 4.18 0.00 1.89 2.04 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.55 7.81 25 N 8.33 4.42 0.00 2.80 2.89 0.00 0.00 7.03 7.28 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 26 N 7.81 4.97 0.00 3.09 2.90 0.00 0.00 6.72 7.88 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 27 N 8.21 5.16 0.00 2.80 2.70 0.00 0.00 6.95 8.86 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 28 P 0.00 4.48 0.00 2.18 2.06 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 29 S 8.54 4.32 0.00 4.09 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 30 F 9.06 4.21 0.00 2.91 3.46 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 31 S 7.70 4.07 0.00 3.88 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 32 E 7.88 3.96 0.00 1.92 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 2.35 2.28 0.00 33 D 8.12 4.29 0.00 2.55 2.50 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 0.00 34 P 0.00 4.31 0.00 1.85 1.04 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 35 G 8.01 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 36 K 8.15 4.10 0.00 1.79 1.76 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.48 7.81 37 L 7.91 4.02 0.00 1.87 1.84 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.65 4.13 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 1.24 0.00 0.00 39 A 7.80 3.95 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 40 L 7.78 3.68 0.00 1.60 1.49 0.68 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.25 3.43 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.36 0.83 0.00 0.00 42 E 8.39 3.96 0.00 2.09 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 0.00 2.31 2.34 0.00 43 S 7.71 4.06 0.00 4.07 3.72 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 0.00 0.00 0.00 44 V 7.65 3.83 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 1.26 0.00 0.00 -0.14 0.00 0.00 45 L 8.24 4.29 0.00 1.77 1.76 0.98 0.91 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 46 T 7.42 4.35 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 47 T 8.14 3.96 4.32 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 1.27 0.00 0.00 48 H 9.01 4.47 0.00 3.45 3.21 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.45 3.49 0.00 2.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 50 P 0.00 4.32 0.00 2.16 1.96 0.00 3.89 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 2.03 2.03 0.00 51 T 8.48 4.29 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 1.21 0.00 0.00 52 W 8.64 3.81 0.00 3.14 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 53 D 8.41 4.25 0.00 2.82 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 54 D 8.04 4.43 0.00 2.86 2.60 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 55 C 8.04 4.18 0.00 2.86 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 56 Q 7.44 3.80 0.00 1.78 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 1.39 1.21 0.00 57 Q 7.93 3.93 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 58 L 8.07 3.72 0.00 2.01 1.58 0.83 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.42 4.01 0.00 1.67 1.61 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.73 3.68 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 0.00 61 T 7.70 4.11 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 1.09 0.00 0.00 62 L 7.65 4.53 0.00 1.67 1.67 0.87 0.81 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 63 L 7.50 4.78 0.00 1.61 1.45 0.55 0.68 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 64 T 8.71 4.54 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 1.40 0.00 0.00 65 G 8.60 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 66 E 7.82 4.03 0.00 2.09 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 2.34 2.36 0.00 67 E 8.34 4.04 0.00 2.23 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 2.53 2.40 0.00 68 K 7.86 3.99 0.00 1.71 1.72 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 69 Q 7.90 4.07 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.61 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 70 R 7.81 3.91 0.00 1.91 2.07 0.00 3.23 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 1.65 1.65 0.00 71 V 7.56 3.52 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 0.79 0.00 0.00 0.74 0.00 0.00 72 L 8.40 3.99 0.00 1.76 1.84 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.80 3.96 0.00 1.84 1.70 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.57 3.89 0.00 2.11 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 2.43 2.56 0.00 75 A 8.14 3.84 0.32 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 76 R 7.59 3.86 0.00 1.90 2.04 0.00 3.40 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 77 K 7.69 4.16 0.00 1.89 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 78 A 7.86 4.36 1.20 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 79 V 7.84 3.83 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 0.83 0.00 0.00 0.98 0.00 0.00 80 R 8.36 4.23 0.00 1.86 1.74 0.00 3.35 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.18 0.00 *87 T 8.24 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 1.21 0.00 0.00 88 Q 8.22 4.66 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.91 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 89 L 8.27 4.37 0.00 1.57 1.58 0.92 0.87 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 90 P 0.00 4.29 0.00 2.19 2.14 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 91 N 8.30 4.42 0.00 2.94 3.09 0.00 0.00 6.18 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 92 E 8.09 4.16 0.00 2.00 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 0.00 2.34 2.39 0.00 93 V 7.76 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 1.19 0.00 0.00 0.97 0.00 0.00 94 D 7.89 4.48 0.00 3.04 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 95 A 8.50 4.31 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 96 A 7.52 4.83 1.58 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 97 F 8.28 4.83 0.00 2.98 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 98 P 0.00 4.61 0.00 2.21 2.08 0.00 4.13 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 99 L 8.49 4.48 0.00 1.74 1.87 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.79 4.15 0.00 1.78 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 2.28 2.27 0.00 101 R 7.84 2.00 0.00 1.37 1.45 0.00 3.18 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.05 0.00 102 P 0.00 3.82 0.00 0.49 0.62 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.95 4.45 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.95 4.27 0.00 3.37 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 0.00 105 D 8.65 4.67 0.00 2.64 2.55 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 0.00 106 Y 8.43 4.27 0.00 3.12 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 0.00 107 T 7.11 4.01 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 0.75 0.00 0.00 108 T 7.73 4.60 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 0.00 109 T 8.31 4.02 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 1.28 0.00 0.00 110 E 8.23 3.92 0.00 2.15 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 0.00 2.36 2.41 0.00 111 G 8.09 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.92 4.00 0.00 2.12 1.99 0.00 3.17 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 113 N 8.25 4.25 0.00 2.79 2.73 0.00 0.00 7.04 8.29 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 0.00 114 H 7.79 3.64 0.00 1.78 1.31 0.00 5.65 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 0.00 115 L 7.03 3.98 0.00 1.98 1.79 1.24 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.86 3.61 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 0.80 0.00 0.00 0.94 0.00 0.00 117 L 8.05 4.35 0.00 1.75 1.80 1.01 0.60 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 0.00 118 Y 8.45 4.34 0.00 3.50 3.33 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 0.00 119 R 8.08 4.21 0.00 2.13 2.08 0.00 3.39 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 1.77 1.87 0.00 120 Q 8.22 4.31 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 121 L 8.02 3.92 0.00 2.01 1.48 1.16 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.31 4.00 0.00 1.97 1.76 1.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.88 3.87 0.00 1.80 1.79 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.63 4.27 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 0.00 125 G 7.79 3.45 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 0.00 0.00 0.00 126 L 7.71 4.03 0.00 1.81 1.82 0.87 0.62 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 0.00 127 Q 8.67 4.17 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 128 N 8.35 4.42 0.00 2.83 2.91 0.00 0.00 6.96 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 0.00 129 A 8.16 4.20 1.51 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 0.00 0.00 0.00 130 G 7.97 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 0.00 131 R 7.59 4.14 0.00 1.80 1.71 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.