NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4441 8.3049 118.1968 54.8187 32.8384 174.6012 2 H 4.4092 8.3514 115.6415 55.0004 30.1822 173.0762 3 K 5.0631 9.5920 122.6057 54.6752 35.5793 174.5666 4 V 4.7829 9.1784 127.3892 61.0113 34.6224 174.1718 5 V 4.9365 8.6160 126.9459 61.2132 34.7566 174.0434 6 I 4.8171 9.2439 129.1155 60.4078 38.8653 174.9974 7 V 4.8252 9.1239 126.2056 59.0498 34.9924 174.7186 8 G 4.6746 8.5804 116.3810 45.9231 0.0000 172.0440 9 R 2.5100 7.5727 117.0129 54.0111 30.3230 174.3831 10 P 4.0889 0.0000 0.0000 63.8858 31.6572 176.3432 11 N 4.2304 8.5498 116.7538 54.3529 35.8127 175.5637 12 V 3.7940 7.0298 110.5070 61.7236 32.1774 176.9564 13 G 4.1133 8.0938 109.2795 45.5927 0.0000 176.0207 14 K 4.0023 8.2852 121.5337 59.2393 32.0605 179.2533 15 S 4.3367 7.9718 114.0764 61.4502 63.0848 176.5673 16 S 4.1499 8.0091 118.3736 61.2405 62.6357 176.1584 17 L 4.2038 7.9981 124.3950 57.5226 41.8424 178.5666 18 F 4.0850 8.6953 121.0576 61.6793 39.4253 176.9218 19 N 4.3813 8.5839 115.9019 56.3215 38.0652 177.7408 20 R 3.9399 7.7782 118.7043 59.2393 30.5897 178.7773 21 L 4.1058 8.0533 118.9352 57.6036 41.3540 179.3174 22 L 3.7404 7.5461 119.5468 57.7017 42.1008 178.4175 23 K 4.1696 7.5807 115.1165 55.9202 32.6625 177.2992 24 K 4.1035 7.0813 120.8171 56.5367 32.8799 176.2039 25 R 4.8582 8.0616 123.0056 55.3490 33.2902 174.8748 26 S 4.5151 8.3166 108.0185 59.8437 66.2786 174.4193 *38 D 4.6138 8.0407 120.6110 54.0871 42.6030 175.3774 39 L 4.4446 7.7369 117.6181 54.3228 42.9371 176.4176 40 K 4.5161 8.3665 120.3365 54.6226 34.6596 175.1492 41 E 5.3544 8.8395 123.7045 54.7584 32.9069 175.4310 42 G 4.2306 9.3155 109.4586 45.0963 0.0000 171.9846 43 V 4.4261 8.2360 122.9063 61.4793 32.6252 175.2142 44 V 3.9231 8.0828 129.1884 61.6640 32.9625 174.3162 45 E 5.2470 8.4650 127.9205 55.0021 32.6822 174.2711 46 T 4.6528 8.6314 116.1227 60.2758 71.9508 173.8659 47 D 4.3809 9.5813 120.9884 56.0531 39.2610 177.7957 48 R 3.5180 7.3124 118.1214 57.0469 30.6092 175.7145 49 G 3.5447 6.3703 103.8824 43.6241 0.0000 172.3916 50 R 5.5351 8.5635 115.6466 54.8120 32.8047 174.4249 51 F 5.0275 8.4988 113.8373 55.7544 42.1158 172.5750 52 L 4.7976 9.4236 122.8743 54.0668 43.3799 174.8160 53 L 5.3052 9.3979 129.6770 53.7223 44.2647 175.1156 54 V 5.0199 9.0597 125.7121 61.2323 35.0406 173.2737 55 D 5.1983 9.0301 128.1860 52.8044 42.6578 176.4798 56 T 4.5187 8.5481 114.7318 61.3086 69.8318 176.5576 57 G 3.7315 8.7536 113.8950 49.0335 0.0000 176.2509 58 G 3.8619 7.8880 106.4831 46.9846 0.0000 174.4166 59 L 4.1886 8.0024 119.3689 56.5009 41.9523 177.4014 60 W 4.5218 8.0801 118.4784 56.1325 29.9990 176.1732 61 S 4.4170 8.9185 117.7249 60.2790 62.6491 173.6180 62 G 4.5237 7.7884 108.2501 44.3284 0.0000 172.5761 63 D 4.9060 8.8705 123.2069 52.9925 39.7646 175.5226 64 K 4.7225 7.9478 120.5069 54.5081 33.8737 175.4138 65 W 4.1142 8.9079 135.0000 57.0946 31.2247 175.2905 66 E 4.4490 7.2789 124.4942 53.0224 33.8857 175.4630 67 K 3.4327 8.2897 123.2967 59.6256 31.9117 178.9763 68 K 3.7630 7.6184 117.8626 59.4715 31.9896 179.2667 69 I 3.3207 6.9609 119.3747 64.1404 36.9371 177.9197 70 Q 3.0187 6.8819 120.6039 58.9489 28.3564 178.2648 71 E 3.8659 7.8942 120.1024 58.9318 29.6150 179.0387 72 K 3.9373 7.4614 118.9179 59.3574 32.1425 179.5228 73 V 3.6664 8.0413 118.9786 65.9699 31.1971 177.6104 74 D 4.6522 8.1488 119.5671 56.9873 41.0213 178.8868 75 R 4.0743 7.7958 117.9043 59.2232 29.8630 179.0171 76 A 4.0958 7.8565 119.4759 54.7242 18.7109 178.7847 77 L 4.3104 8.1944 115.7053 55.5471 41.7400 178.4298 78 E 3.8589 7.4583 119.5412 58.8764 29.7150 178.2905 79 D 4.9133 7.6984 116.5161 53.7255 41.8112 176.3622 80 A 4.3219 7.8867 122.6061 52.3917 18.9368 178.3743 81 E 4.3833 8.8792 122.2066 57.8380 30.9647 177.1647 82 V 4.5538 7.4332 117.6717 61.1011 35.6560 173.8625 83 V 4.7698 8.7226 126.9045 61.1164 34.1960 174.2747 84 L 4.9170 9.1462 128.3014 53.2010 43.4360 175.7308 85 F 5.1789 8.9462 128.7166 57.0401 40.0365 174.2672 86 A 4.7816 8.9555 129.9265 51.1719 19.3994 176.8170 87 V 4.2131 8.1968 115.7887 58.9343 35.8178 174.9412 88 D 4.7793 8.0724 124.0754 54.2558 41.1072 176.3536 89 G 3.7433 9.0373 113.2543 47.7355 0.0000 174.2109 90 R 4.4195 8.1690 117.4965 57.5976 31.9152 176.7565 91 A 4.1917 8.1729 119.0973 51.6356 18.9563 177.0787 92 E 4.2456 8.3278 119.1428 55.6699 30.3207 177.3789 93 L 4.1056 8.3491 121.5791 55.2264 42.4362 177.4725 94 T 4.7000 9.1491 113.2306 59.7520 72.5690 175.4221 95 Q 4.1775 8.7086 121.3268 59.5213 28.8916 178.2364 96 A 4.2049 8.1640 121.1739 55.2576 18.4037 179.1025 97 D 4.3923 8.0356 117.2053 57.9994 40.9774 178.7386 98 Y 4.1815 8.0499 117.0018 61.1333 37.8087 178.6794 99 E 4.0410 8.5135 119.7041 59.3174 29.5864 179.4791 100 V 2.6496 7.8075 118.2416 65.2347 31.4657 178.0098 101 A 3.8233 8.1686 120.9373 55.1576 18.3472 179.2488 102 E 3.9421 8.2056 117.8527 59.4743 29.4345 178.3470 103 Y 4.1630 8.0323 119.6839 60.7710 38.9643 178.1309 104 L 3.7904 8.0388 119.9584 57.5849 41.4068 179.7197 105 R 4.0195 7.9707 117.3561 59.3451 30.0843 178.9877 106 R 4.0350 7.7699 116.7554 59.1864 30.1222 178.9322 107 K 3.9533 7.8093 117.6594 57.2697 31.9218 178.0541 108 G 3.8833 7.5628 104.7907 46.1328 0.0000 173.3485 109 K 4.4075 7.6855 117.6675 53.8474 33.6397 174.8416 110 P 4.3256 0.0000 0.0000 63.4737 32.3295 175.2341 111 V 4.6984 8.4150 123.1393 61.0713 34.3243 174.3407 112 I 4.3880 8.7724 128.8755 59.3941 39.4856 174.4549 113 L 4.4672 8.4728 130.0271 54.4879 43.4326 175.2046 114 V 4.7213 8.7810 127.0384 61.0477 34.0251 173.9215 115 A 4.9326 8.6801 130.6064 50.9882 20.4295 176.4075 116 T 4.4684 8.5560 113.1980 60.1273 71.9148 174.9412 117 K 4.0099 8.4388 118.1991 57.6287 29.7226 177.4455 118 V 4.0308 7.8622 120.5835 61.8490 29.5942 175.4157 119 D 4.4619 8.1035 122.9086 55.9679 41.7122 176.3570 120 D 4.9205 7.8100 116.8974 50.7163 44.6880 173.9914 121 P 4.4842 0.0000 0.0000 65.7228 31.2627 178.9699 122 K 3.9693 8.3508 117.6265 60.3701 32.3053 178.8707 123 H 4.6398 8.2490 116.9399 58.4003 28.0258 177.4416 124 E 4.1023 8.2614 120.6768 59.0401 28.9953 178.9595 125 L 3.9897 7.5152 117.5765 56.5481 41.4756 177.2620 126 Y 4.8026 7.2519 115.6811 57.9310 38.2587 176.1156 127 L 4.5401 7.7740 117.9917 54.4956 42.5709 178.6766 128 G 4.1029 8.4413 109.9255 48.4820 0.0000 174.2631 129 P 4.4203 0.0000 0.0000 64.9813 31.8439 178.7535 130 L 4.0414 8.3889 118.5995 57.8225 41.6209 178.9490 131 Y 4.0758 8.0822 115.2052 60.4767 37.7557 177.3399 132 G 3.9675 7.9350 106.4846 45.9365 0.0000 175.1996 133 L 4.1913 7.7649 119.8508 56.0301 41.6599 177.8559 134 G 3.5952 7.8531 105.5138 45.9250 0.0000 173.9805 135 F 4.7735 8.1305 114.2594 56.4010 40.2168 175.7821 136 G 3.9415 8.1541 108.0498 44.2804 0.0000 172.8797 137 D 4.0601 8.3097 118.3526 53.6645 41.2026 174.9265 138 P 4.5233 0.0000 0.0000 62.6870 32.8467 175.6197 139 I 4.3655 8.5823 123.8496 59.2625 38.2178 173.3689 140 P 4.9786 0.0000 0.0000 62.9441 32.7460 175.5002 141 T 4.8832 9.2265 112.7765 60.4404 73.3280 172.7690 142 S 4.7104 8.6278 116.2303 57.6014 65.4439 174.9915 143 S 4.2400 8.9433 123.8379 60.9159 63.4165 176.2553 144 E 3.9666 8.3105 120.3851 59.0460 29.4287 176.9212 145 H 4.7342 8.2615 112.0463 54.5214 29.5385 174.2419 146 A 3.8101 7.1550 120.6419 53.3408 16.5919 177.6075 147 R 4.5139 8.1399 119.8069 56.0610 32.6102 178.5916 148 G 4.0638 8.6734 107.5871 46.5480 0.0000 175.5295 149 L 4.0208 7.7158 120.6581 57.5600 41.5801 179.0543 150 E 3.9911 8.1111 118.1766 59.4822 29.5574 178.7802 151 E 3.9708 8.1678 118.8460 59.1677 29.6907 178.4420 152 L 3.9765 8.1763 120.5389 58.1391 42.1941 178.9890 153 L 4.1501 8.1628 119.0413 57.6451 41.6509 179.1154 154 E 4.0507 8.3970 119.2605 59.2380 29.3951 178.7435 155 A 4.0174 7.8440 119.7065 55.0896 18.7170 179.2947 156 I 3.5528 7.8091 118.2979 64.4675 37.3472 178.8499 157 W 4.0575 8.1748 119.1721 59.2101 28.5916 177.9892 158 E 4.2187 7.9880 117.9112 58.0627 29.1762 177.7071 159 R 4.6119 7.4934 115.7126 55.1402 31.1873 175.9684 160 L 4.0107 6.9569 118.6503 52.7388 41.4108 175.1292 161 P 4.4311 0.0000 0.0000 63.2075 30.9082 176.1489 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 M 8.30 4.44 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 2 H 8.35 4.41 0.00 3.14 3.08 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.59 5.06 0.00 1.81 1.87 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 4 V 9.18 4.78 2.13 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 0.86 0.00 0.00 0.23 0.00 0.00 5 V 8.62 4.94 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 1.05 0.00 0.00 0.98 0.00 0.00 6 I 9.24 4.82 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 1.01 0.00 0.00 7 V 9.12 4.83 2.13 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 1.29 0.00 0.00 1.04 0.00 0.00 8 G 8.58 4.67 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 9 R 7.57 2.51 0.00 1.52 1.85 0.00 2.93 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 10 P 0.00 4.09 0.00 1.91 1.89 0.00 3.30 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 2.13 1.65 0.00 11 N 8.55 4.23 0.00 2.80 2.88 0.00 0.00 6.97 7.68 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 12 V 7.03 3.79 1.96 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 0.53 0.00 0.00 0.94 0.00 0.00 13 G 8.09 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 0.00 0.00 0.00 14 K 8.29 4.00 0.00 1.77 1.99 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.42 7.81 15 S 7.97 4.34 0.00 4.03 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 16 S 8.01 4.15 0.00 4.03 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 17 L 8.00 4.20 0.00 1.86 1.92 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.70 4.09 0.00 3.24 3.27 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 19 N 8.58 4.38 0.00 3.00 2.90 0.00 0.00 7.10 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 20 R 7.78 3.94 0.00 1.98 1.99 0.00 3.33 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 21 L 8.05 4.11 0.00 1.71 1.67 1.00 0.41 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 22 L 7.55 3.74 0.00 1.17 1.61 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.58 4.17 0.00 1.77 1.81 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.57 7.81 24 K 7.08 4.10 0.00 1.93 1.73 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.47 7.81 25 R 8.06 4.86 0.00 1.77 1.81 0.00 3.25 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 26 S 8.32 4.52 0.00 4.26 3.89 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 *38 D 8.04 4.61 0.00 2.76 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 39 L 7.74 4.44 0.00 1.53 1.58 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.37 4.52 0.00 0.94 0.74 0.00 1.40 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.09 1.15 7.81 41 E 8.84 5.35 0.00 1.87 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 0.00 2.26 2.30 0.00 42 G 9.32 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 0.00 0.00 0.00 0.00 43 V 8.24 4.43 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 0.73 0.00 0.00 0.92 0.00 0.00 44 V 8.08 3.92 0.67 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 0.71 0.00 0.00 0.50 0.00 0.00 45 E 8.46 5.25 0.00 1.90 1.70 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 2.16 2.29 0.00 46 T 8.63 4.65 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 1.30 0.00 0.00 47 D 9.58 4.38 0.00 2.71 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 48 R 7.31 3.52 0.00 1.03 0.66 0.00 3.23 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 49 G 6.37 3.54 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 0.00 0.00 0.00 50 R 8.56 5.54 0.00 1.93 2.06 0.00 3.07 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 51 F 8.50 5.03 0.00 3.16 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 52 L 9.42 4.80 0.00 1.80 1.67 1.01 0.67 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 53 L 9.40 5.31 0.00 1.82 1.56 1.18 0.17 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 54 V 9.06 5.02 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 0.94 0.00 0.00 1.02 0.00 0.00 55 D 9.03 5.20 0.00 2.65 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 0.00 0.00 0.00 56 T 8.55 4.52 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 1.30 0.00 0.00 57 G 8.75 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 58 G 7.89 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 59 L 8.00 4.19 0.00 1.92 1.75 0.94 0.77 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 60 W 8.08 4.52 0.00 3.32 3.42 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 61 S 8.92 4.42 0.00 3.84 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 62 G 7.79 4.52 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 0.00 0.00 0.00 63 D 8.87 4.91 0.00 2.85 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 64 K 7.95 4.72 0.00 1.83 1.81 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.52 7.81 65 W 8.91 4.11 0.00 3.32 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 66 E 7.28 4.45 0.00 1.83 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 2.12 2.17 0.00 67 K 8.29 3.43 0.00 1.68 1.63 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.41 7.81 68 K 7.62 3.76 0.00 1.62 1.69 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 69 I 6.96 3.32 0.88 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.18 -0.18 0.00 0.00 70 Q 6.88 3.02 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.18 1.85 0.00 71 E 7.89 3.87 0.00 2.11 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 0.00 2.24 2.28 0.00 72 K 7.46 3.94 0.00 1.85 1.77 0.00 1.73 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.46 7.81 73 V 8.04 3.67 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 1.29 0.00 0.00 1.08 0.00 0.00 74 D 8.15 4.65 0.00 2.94 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 75 R 7.80 4.07 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 76 A 7.86 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 77 L 8.19 4.31 0.00 1.92 1.74 1.09 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.46 3.86 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 2.35 2.42 0.00 79 D 7.70 4.91 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 80 A 7.89 4.32 1.26 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 0.00 0.00 0.00 81 E 8.88 4.38 0.00 1.86 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 0.00 2.29 2.27 0.00 82 V 7.43 4.55 1.84 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 0.81 0.00 0.00 0.72 0.00 0.00 83 V 8.72 4.77 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 0.69 0.00 0.00 0.89 0.00 0.00 84 L 9.15 4.92 0.00 1.59 1.58 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.95 5.18 0.00 2.68 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 86 A 8.96 4.78 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 87 V 8.20 4.21 1.76 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 -0.28 0.00 0.00 0.66 0.00 0.00 88 D 8.07 4.78 0.00 2.59 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 89 G 9.04 3.74 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 0.00 0.00 0.00 90 R 8.17 4.42 0.00 1.84 1.87 0.00 3.04 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.55 0.00 91 A 8.17 4.19 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 92 E 8.33 4.25 0.00 1.99 1.93 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 2.31 2.28 0.00 93 L 8.35 4.11 0.00 1.62 1.15 0.73 0.63 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 94 T 9.15 4.70 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 1.27 0.00 0.00 95 Q 8.71 4.18 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 96 A 8.16 4.20 1.56 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 0.00 0.00 97 D 8.04 4.39 0.00 2.71 2.57 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 98 Y 8.05 4.18 0.00 3.24 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 99 E 8.51 4.04 0.00 2.24 1.96 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 2.45 2.53 0.00 100 V 7.81 2.65 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 0.52 0.00 0.00 0.40 0.00 0.00 101 A 8.17 3.82 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 0.00 0.00 0.00 0.00 0.00 102 E 8.21 3.94 0.00 2.19 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 0.00 2.37 2.43 0.00 103 Y 8.03 4.16 0.00 3.22 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 0.00 104 L 8.04 3.79 0.00 1.68 1.46 0.05 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.97 4.02 0.00 1.93 1.95 0.00 3.00 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.82 0.00 106 R 7.77 4.04 0.00 1.86 1.96 0.00 3.23 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.03 0.00 107 K 7.81 3.95 0.00 1.58 1.67 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.65 0.68 7.81 108 G 7.56 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 0.00 109 K 7.69 4.41 0.00 1.69 1.69 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.39 7.81 110 P 0.00 4.33 0.00 2.11 1.96 0.00 3.63 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 2.16 2.08 0.00 111 V 8.42 4.70 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 0.21 0.00 0.00 0.77 0.00 0.00 112 I 8.77 4.39 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 0.87 0.00 0.00 113 L 8.47 4.47 0.00 1.81 1.50 0.60 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.78 4.72 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 0.90 0.00 0.00 0.88 0.00 0.00 115 A 8.68 4.93 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 0.00 116 T 8.56 4.47 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 1.17 0.00 0.00 117 K 8.44 4.01 0.00 1.87 1.87 0.00 1.97 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.35 7.81 118 V 7.86 4.03 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 0.81 0.00 0.00 1.01 0.00 0.00 119 D 8.10 4.46 0.00 2.75 2.56 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 0.00 120 D 7.81 4.92 0.00 2.60 2.24 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 0.00 121 P 0.00 4.48 0.00 2.18 2.10 0.00 3.65 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 2.12 2.17 0.00 122 K 8.35 3.97 0.00 2.04 2.07 0.00 1.28 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.34 7.81 123 H 8.25 4.64 0.00 3.38 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.26 4.10 0.00 2.21 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 2.35 2.38 0.00 125 L 7.52 3.99 0.00 1.18 0.88 0.74 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.25 4.80 0.00 3.17 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 0.00 127 L 7.77 4.54 0.00 1.89 1.70 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.44 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 0.00 129 P 0.00 4.42 0.00 2.24 2.23 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 130 L 8.39 4.04 0.00 1.93 1.53 0.86 0.66 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 0.00 131 Y 8.08 4.08 0.00 3.09 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 0.00 132 G 7.94 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 0.00 0.00 0.00 133 L 7.76 4.19 0.00 1.98 2.09 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.85 3.60 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 0.00 0.00 0.00 135 F 8.13 4.77 0.00 3.09 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 0.00 136 G 8.15 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 0.00 137 D 8.31 4.06 0.00 2.67 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 0.00 138 P 0.00 4.52 0.00 1.88 1.78 0.00 2.56 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.46 0.00 139 I 8.58 4.37 1.83 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 1.39 0.72 0.95 0.00 0.00 140 P 0.00 4.98 0.00 2.11 2.17 0.00 3.62 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 141 T 9.23 4.88 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 1.20 0.00 0.00 142 S 8.63 4.71 0.00 3.99 3.71 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 0.00 143 S 8.94 4.24 0.00 3.93 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 0.00 144 E 8.31 3.97 0.00 1.87 1.88 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 2.26 2.42 0.00 145 H 8.26 4.73 0.00 3.16 3.27 0.00 5.88 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 0.00 146 A 7.15 3.81 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 0.00 147 R 8.14 4.51 0.00 1.89 1.85 0.00 3.43 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 148 G 8.67 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 0.00 0.00 0.00 149 L 7.72 4.02 0.00 1.72 1.76 0.93 0.97 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 0.00 150 E 8.11 3.99 0.00 1.99 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 2.42 2.32 0.00 151 E 8.17 3.97 0.00 2.04 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 2.38 2.38 0.00 152 L 8.18 3.98 0.00 1.89 1.84 0.89 0.51 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 0.00 153 L 8.16 4.15 0.00 2.01 1.95 1.04 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 0.00 154 E 8.40 4.05 0.00 2.11 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 0.00 2.35 2.38 0.00 155 A 7.84 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 0.00 156 I 7.81 3.55 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 -0.17 0.00 0.00 157 W 8.17 4.06 0.00 3.51 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 0.00 158 E 7.99 4.22 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 2.35 2.51 0.00 159 R 7.49 4.61 0.00 1.69 1.86 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 160 L 6.96 4.01 0.00 1.35 0.95 -0.70 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.43 0.00 2.20 2.07 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.