NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6153 8.3044 120.3277 55.2360 35.0233 171.6761 2 K 4.4093 8.8363 121.4615 56.1987 31.6485 176.4885 3 K 4.6855 9.0299 117.4238 54.2763 36.3664 173.1335 4 V 4.4032 7.6279 118.1648 60.9371 34.1060 175.9434 5 V 3.4234 8.4203 117.4838 61.1221 29.9713 171.6010 6 A 5.4797 6.6376 135.0000 53.1728 19.8171 175.3535 7 V 4.8150 6.8814 114.2862 59.7672 37.0487 177.2404 8 V 4.5650 8.3533 113.7432 60.0911 36.5073 173.5332 9 K 4.8693 8.7605 124.7168 55.0701 34.2314 174.9547 10 L 4.9094 8.5428 124.3901 53.5176 44.0519 176.6839 11 Q 4.6522 8.1253 115.5116 53.4440 27.4737 174.6659 12 L 4.1363 8.0516 126.7092 52.9249 44.0186 177.7284 13 P 5.0976 0.0000 0.0000 61.5291 32.9880 178.7794 14 A 3.8746 8.7904 116.6476 53.3189 20.8367 174.6458 15 G 4.3151 9.8061 119.1535 45.0432 0.0000 173.2034 16 K 4.4944 7.1216 118.7243 53.9944 35.6936 175.8844 17 A 4.3879 8.2218 117.7769 52.8285 20.6585 175.9155 18 T 4.6457 8.5576 116.3214 65.3994 76.4400 174.7440 19 P 4.7090 0.0000 0.0000 62.0148 30.4757 177.3442 20 A 4.4535 8.3898 122.3606 52.4846 20.3466 174.7178 21 P 3.8875 0.0000 0.0000 66.0385 31.3255 175.7152 22 P 4.1199 0.0000 0.0000 65.7916 32.3552 177.7723 23 V 4.3626 7.6358 112.0061 63.4626 34.6772 176.6860 24 G 4.4981 8.1798 108.2225 48.5438 0.0000 173.0481 25 P 4.4908 0.0000 0.0000 63.5948 32.3100 177.2593 26 A 4.0231 7.8468 121.4228 54.9597 17.8728 178.9126 27 L 3.8173 7.7265 115.6911 57.3858 41.3267 178.5862 28 G 3.7501 8.4198 107.1858 46.9076 0.0000 176.0042 29 Q 4.0205 7.4217 119.4429 58.9049 28.8404 176.7764 30 H 4.5967 8.0434 112.3043 55.3249 28.8596 175.1593 31 G 3.7799 9.1364 108.4303 46.9472 0.0000 172.9658 32 A 4.3804 7.7032 127.0016 52.0487 21.8161 173.6210 33 N 5.0964 8.4073 113.7223 52.7152 42.8235 174.2693 34 I 4.2489 8.2819 118.4960 62.6022 38.4781 176.9037 35 M 4.4036 8.0230 114.7468 55.5221 31.7697 176.2361 36 E 4.5678 8.1564 118.3524 57.2545 31.4546 175.8756 37 F 5.0045 7.8987 118.6742 56.1908 38.9041 172.9250 38 V 5.0401 7.3246 115.4316 61.6620 37.6365 176.4780 39 K 4.2514 8.0858 117.1695 58.0366 33.4984 177.6159 40 A 4.9445 7.7204 120.6137 51.7006 18.9270 177.0055 41 F 4.7321 7.6716 122.3090 59.7650 45.3399 175.5998 42 N 3.5589 7.0922 114.9542 53.7680 38.0213 176.3961 43 A 3.9105 7.5726 123.3509 54.2672 18.7426 180.0001 44 A 4.1505 7.5579 118.7293 55.3757 17.4701 179.8167 45 T 3.9617 7.3972 113.2815 66.2680 68.2769 176.3687 46 A 4.0046 7.4973 121.2638 53.9027 18.3295 178.4814 47 N 4.6049 7.2491 113.9066 55.6237 39.4038 177.1836 48 M 4.1854 8.2877 118.4922 55.0226 32.1912 176.9306 49 G 4.2083 9.3564 108.8672 43.8978 0.0000 174.4050 50 D 4.2162 8.7697 122.8192 50.7375 43.3831 176.0302 51 A 3.4411 8.1234 122.8616 53.1072 18.6145 179.8111 52 I 4.3493 7.6279 115.1981 61.0022 40.1073 175.1333 53 V 4.3277 8.0027 118.3252 58.6509 32.8677 176.2668 54 P 4.7414 0.0000 0.0000 61.7249 30.2181 177.4819 55 V 3.9906 8.8601 119.4949 63.6156 32.5521 174.8123 56 E 5.0273 8.4613 124.0280 54.7997 32.3598 174.4628 57 I 4.6980 8.2126 117.5466 60.8192 42.4989 175.1080 58 T 4.5700 8.0462 119.6006 62.7499 72.2240 173.4083 59 I 4.4807 8.6114 128.4899 60.9761 37.9421 175.8397 60 Y 4.5990 8.4185 119.3343 56.7403 39.9538 175.5938 61 A 3.8604 9.8738 121.2072 52.5935 15.1068 178.3880 62 D 4.5033 8.2518 115.8004 54.3115 39.3207 176.5036 63 R 4.3583 8.4927 115.5977 57.9741 27.7156 175.9971 64 S 4.3557 7.2092 112.0663 56.7986 64.0640 173.0148 65 F 5.7540 7.3939 116.5953 57.9877 39.8093 174.5450 66 T 4.4690 8.4801 120.0184 61.9214 67.6198 175.7690 67 F 4.6185 8.4470 124.7473 56.6106 36.4396 178.7044 68 V 3.6686 7.3390 119.3730 63.4150 30.8002 175.3886 69 T 4.1739 8.2695 123.4685 63.6607 68.9369 173.6006 70 K 4.7436 8.1020 121.6134 55.0204 36.3962 175.7849 71 T 4.3868 8.3399 116.3558 62.0199 69.3631 173.2128 72 P 4.1232 0.0000 0.0000 61.6966 32.1238 174.3060 73 P 4.2914 0.0000 0.0000 62.8704 31.6960 177.1794 74 A 4.1349 8.6505 123.5357 54.4100 18.3023 179.6126 75 S 4.2747 7.9010 113.1642 61.0136 63.4132 175.4264 76 Y 4.2516 8.2451 122.3265 60.5339 38.6135 177.3434 77 L 3.5807 8.1162 119.1851 57.6218 41.6556 179.2137 78 I 3.8481 7.5077 119.0554 63.2833 37.3149 177.8679 79 R 3.9944 8.2939 117.1445 58.3995 29.0285 179.1500 80 K 3.8271 6.9773 118.9304 59.2202 32.2101 178.6913 81 A 4.0940 7.7631 118.9982 54.9318 18.4518 179.0249 82 A 4.9313 7.3693 119.2404 55.5383 19.1140 177.1403 83 G 3.4288 7.8403 108.8864 45.4856 0.0000 174.5523 84 L 4.0766 7.6127 119.7692 56.1212 40.7416 176.6839 85 E 4.2761 8.6974 118.5191 58.1460 29.8100 177.2539 86 K 4.1996 8.7034 116.4067 56.2309 33.1376 176.4108 87 G 3.8465 7.8493 112.4411 43.4295 0.0000 172.1691 88 A 4.9846 7.0379 130.4529 51.2514 20.9369 176.1180 89 H 4.2984 8.8321 122.6669 58.5196 30.2126 175.8815 90 K 4.4890 7.6648 118.1502 54.5048 34.7566 174.6809 91 P 4.6009 0.0000 0.0000 62.2584 34.1390 172.7515 92 G 4.0469 8.0624 111.6175 45.1189 0.0000 175.7005 93 R 4.3723 8.9217 126.3466 55.6826 31.9782 174.2493 94 E 4.6818 7.7714 117.9579 54.1884 31.7227 174.7315 95 K 4.4886 7.8941 121.5461 56.3416 34.8771 175.8330 96 V 4.1118 7.7776 115.7778 61.7950 30.8297 175.7001 97 G 4.3723 7.9239 106.8955 45.0061 0.0000 172.0389 98 R 4.8214 8.2155 116.3820 54.9095 35.0888 175.3996 99 I 4.3440 8.2436 122.5591 60.2738 40.8501 175.1865 100 T 4.4038 8.4393 118.5204 60.9368 69.3962 174.6042 101 W 4.1092 8.6997 120.5818 60.1006 28.9173 177.5823 102 E 4.4050 8.1438 114.9465 57.6512 28.9869 178.2514 103 Q 4.8754 7.7852 123.4484 58.8197 28.9247 177.3378 104 V 3.8860 7.5349 116.7562 63.7561 31.8045 176.1007 105 L 4.5900 7.6054 117.3868 55.1870 42.2384 177.9884 106 E 4.0254 7.8216 120.0880 58.6277 29.7897 178.1574 107 I 4.0349 7.6157 116.7315 61.4794 38.5329 176.9540 108 A 4.0171 7.5457 122.4724 54.9748 18.2360 178.3110 109 K 4.2860 7.9614 112.7137 57.4420 32.8254 177.0110 110 Q 4.1987 7.4994 118.4566 57.2250 30.0044 175.8096 111 K 4.3538 7.6826 125.6990 56.2592 32.1008 176.4209 112 M 4.8531 8.3885 120.9595 55.8075 38.1262 176.0754 113 P 4.5627 0.0000 0.0000 63.4656 30.5780 177.8088 114 D 4.4766 9.2513 122.2165 56.0712 40.3722 176.8758 115 L 4.1104 7.8216 121.9668 58.3150 41.7286 176.6517 116 N 4.2092 7.6389 119.3475 52.7629 35.8672 174.8277 117 T 4.6466 7.2699 108.4637 59.7712 70.9216 174.4312 118 T 3.9605 8.6209 122.3973 66.4562 68.7167 174.4379 119 D 4.6293 7.8526 119.1773 53.3468 40.3074 175.7012 120 L 4.3521 8.3759 117.8189 56.3092 42.3222 178.9045 121 E 4.2107 8.0889 115.5802 57.8688 30.3123 177.2522 122 A 4.3523 7.6150 119.8925 52.2118 18.6620 177.1768 123 A 4.6341 7.6786 116.5387 51.0766 20.9377 177.8192 124 A 4.3088 7.7891 116.9658 54.1497 18.7268 179.2491 125 R 4.0401 7.2797 112.2109 58.1692 29.6117 178.1369 126 M 4.2209 7.7484 120.1644 58.3070 32.6325 178.0139 127 I 3.9198 7.7615 118.8848 63.2533 37.1997 177.7028 128 A 4.2203 7.9791 121.1841 53.8209 18.3780 178.9644 129 G 3.5555 7.9273 104.2281 46.5098 0.0000 175.3438 130 S 4.4242 7.8626 113.1282 59.1989 62.3302 174.4971 131 A 4.6530 7.0917 121.1831 52.7713 18.9497 177.3390 132 R 4.5294 7.5882 114.5218 55.9056 32.0043 175.5064 133 S 4.5461 7.9414 111.4416 60.2377 63.7453 175.1201 134 M 4.1774 7.6828 118.1640 56.9282 32.3618 176.6050 135 G 3.8482 9.4090 109.5103 47.3440 0.0000 175.1992 136 V 3.1160 6.7756 113.3085 59.1679 29.1752 175.3056 137 E 4.1207 8.2770 125.1730 56.5447 30.2093 176.4302 138 V 5.1915 7.4786 119.1212 58.4744 30.8654 173.5342 139 V 3.4834 6.9647 124.4365 64.3886 30.8225 176.1772 140 G 4.8427 8.4965 123.2277 46.4716 0.0000 170.2847 *141 A 4.0908 7.4763 127.6957 51.6905 18.8908 176.2349 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 4.62 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 K 8.84 4.41 0.00 1.70 1.10 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.59 7.81 3 K 9.03 4.69 0.00 1.72 1.71 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.39 7.81 4 V 7.63 4.40 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 0.77 0.00 0.00 0.90 0.00 0.00 5 V 8.42 3.42 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 0.66 0.00 0.00 0.92 0.00 0.00 6 A 6.64 5.48 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 7 V 6.88 4.81 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 0.65 0.00 0.00 0.91 0.00 0.00 8 V 8.35 4.57 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 0.76 0.00 0.00 0.83 0.00 0.00 9 K 8.76 4.87 0.00 1.87 1.78 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.39 7.81 10 L 8.54 4.91 0.00 1.59 1.65 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.13 4.65 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 12 L 8.05 4.14 0.00 1.74 1.76 1.18 0.95 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 13 P 0.00 5.10 0.00 2.08 1.44 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 14 A 8.79 3.87 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 15 G 9.81 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 0.00 0.00 0.00 0.00 16 K 7.12 4.49 0.00 1.83 1.74 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.34 7.81 17 A 8.22 4.39 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 18 T 8.56 4.65 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 19 P 0.00 4.71 0.00 2.16 1.86 0.00 3.52 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 2.11 2.09 0.00 20 A 8.39 4.45 1.22 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 0.00 0.00 21 P 0.00 3.89 0.00 2.03 2.02 0.00 3.69 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 2.13 0.00 22 P 0.00 4.12 0.00 2.00 2.02 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 23 V 7.64 4.36 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 0.87 0.00 0.00 0.90 0.00 0.00 24 G 8.18 4.50 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 0.00 0.00 0.00 25 P 0.00 4.49 0.00 2.19 2.27 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 26 A 7.85 4.02 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.73 3.82 0.00 1.62 1.64 0.67 0.33 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 28 G 8.42 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 29 Q 7.42 4.02 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.11 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 30 H 8.04 4.60 0.00 3.06 3.25 0.00 5.68 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 31 G 9.14 3.78 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 0.00 0.00 0.00 32 A 7.70 4.38 1.19 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 0.00 0.00 0.00 33 N 8.41 5.10 0.00 2.74 2.75 0.00 0.00 6.70 7.45 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 34 I 8.28 4.25 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.92 0.00 0.00 35 M 8.02 4.40 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 36 E 8.16 4.57 0.00 2.20 2.53 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 0.00 2.36 2.39 0.00 37 F 7.90 5.00 0.00 2.52 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 38 V 7.32 5.04 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 1.22 0.00 0.00 1.06 0.00 0.00 39 K 8.09 4.25 0.00 1.86 1.82 0.00 1.55 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.48 7.81 40 A 7.72 4.94 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 41 F 7.67 4.73 0.00 1.97 2.62 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 42 N 7.09 3.56 0.00 2.53 2.43 0.00 0.00 7.17 8.15 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 43 A 7.57 3.91 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 44 A 7.56 4.15 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 45 T 7.40 3.96 3.99 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 1.14 0.00 0.00 46 A 7.50 4.00 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 47 N 7.25 4.60 0.00 3.01 2.85 0.00 0.00 6.83 7.54 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 48 M 8.29 4.19 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.89 0.00 49 G 9.36 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.77 4.22 0.00 2.70 2.45 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 51 A 8.12 3.44 0.64 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 0.00 0.00 52 I 7.63 4.35 1.60 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 1.32 1.06 0.28 0.00 0.00 53 V 8.00 4.33 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 0.81 0.00 0.00 1.13 0.00 0.00 54 P 0.00 4.74 0.00 2.20 2.17 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 55 V 8.86 3.99 2.29 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 1.08 0.00 0.00 1.08 0.00 0.00 56 E 8.46 5.03 0.00 2.26 1.94 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 2.19 2.30 0.00 57 I 8.21 4.70 1.68 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 0.60 1.01 0.56 0.00 0.00 58 T 8.05 4.57 4.20 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 0.85 0.00 0.00 59 I 8.61 4.48 1.93 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 1.50 0.40 0.94 0.00 0.00 60 Y 8.42 4.60 0.00 3.04 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 61 A 9.87 3.86 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 62 D 8.25 4.50 0.00 2.80 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 63 R 8.49 4.36 0.00 2.02 2.17 0.00 3.30 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 64 S 7.21 4.36 0.00 3.70 3.78 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 65 F 7.39 5.75 0.00 3.13 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 66 T 8.48 4.47 4.31 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 1.19 0.00 0.00 67 F 8.45 4.62 0.00 3.49 3.38 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 68 V 7.34 3.67 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 0.82 0.00 0.00 0.92 0.00 0.00 69 T 8.27 4.17 4.31 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 1.27 0.00 0.00 70 K 8.10 4.74 0.00 1.86 1.70 0.00 1.76 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.64 7.81 71 T 8.34 4.39 4.27 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 1.26 0.00 0.00 72 P 0.00 4.12 0.00 2.27 2.15 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 73 P 0.00 4.29 0.00 2.25 2.03 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 74 A 8.65 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 75 S 7.90 4.27 0.00 3.92 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 76 Y 8.25 4.25 0.00 3.01 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 77 L 8.12 3.58 0.00 1.71 1.69 1.02 0.98 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 78 I 7.51 3.85 1.81 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 1.64 0.81 0.86 0.00 0.00 79 R 8.29 3.99 0.00 2.36 2.13 0.00 2.66 0.00 0.00 3.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 80 K 6.98 3.83 0.00 1.64 1.80 0.00 1.74 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 0.86 7.81 81 A 7.76 4.09 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 82 A 7.37 4.93 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 83 G 7.84 3.43 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 0.00 84 L 7.61 4.08 0.00 1.76 1.86 0.95 0.56 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 85 E 8.70 4.28 0.00 1.99 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 2.28 2.33 0.00 86 K 8.70 4.20 0.00 1.74 1.76 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 87 G 7.85 3.85 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 0.00 0.00 0.00 88 A 7.04 4.98 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 89 H 8.83 4.30 0.00 3.11 3.31 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.66 4.49 0.00 1.82 1.69 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.40 7.81 91 P 0.00 4.60 0.00 2.19 2.17 0.00 3.76 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 1.98 2.07 0.00 92 G 8.06 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 0.00 0.00 0.00 93 R 8.92 4.37 0.00 1.74 1.92 0.00 3.37 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 94 E 7.77 4.68 0.00 1.94 1.79 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 2.20 2.20 0.00 95 K 7.89 4.49 0.00 1.89 1.79 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.42 7.81 96 V 7.78 4.11 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 0.66 0.00 0.00 0.93 0.00 0.00 97 G 7.92 4.37 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 0.00 98 R 8.22 4.82 0.00 1.71 1.76 0.00 3.12 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 99 I 8.24 4.34 2.07 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.86 0.00 0.00 100 T 8.44 4.40 4.45 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 1.26 0.00 0.00 101 W 8.70 4.11 0.00 3.38 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.14 4.41 0.00 2.22 2.27 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 2.41 2.34 0.00 103 Q 7.79 4.88 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 104 V 7.53 3.89 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 0.88 0.00 0.00 0.90 0.00 0.00 105 L 7.61 4.59 0.00 1.98 1.68 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.82 4.03 0.00 2.11 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 2.33 2.49 0.00 107 I 7.62 4.03 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.54 0.93 0.00 0.00 108 A 7.55 4.02 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 0.00 109 K 7.96 4.29 0.00 1.88 1.94 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.46 7.81 110 Q 7.50 4.20 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 111 K 7.68 4.35 0.00 1.76 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.48 7.81 112 M 8.39 4.85 0.00 1.95 2.04 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 2.57 2.60 0.00 113 P 0.00 4.56 0.00 2.19 1.33 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 114 D 9.25 4.48 0.00 2.66 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 0.00 115 L 7.82 4.11 0.00 1.67 1.74 0.98 1.03 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 0.00 116 N 7.64 4.21 0.00 2.81 3.07 0.00 0.00 6.73 7.54 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 0.00 117 T 7.27 4.65 4.42 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 1.22 0.00 0.00 118 T 8.62 3.96 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 119 D 7.85 4.63 0.00 2.86 2.72 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 0.00 120 L 8.38 4.35 0.00 1.78 1.76 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.09 4.21 0.00 2.22 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 0.00 2.35 2.38 0.00 122 A 7.62 4.35 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.68 4.63 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.79 4.31 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 0.00 125 R 7.28 4.04 0.00 1.97 2.05 0.00 3.06 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 126 M 7.75 4.22 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 127 I 7.76 3.92 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.04 0.88 0.00 0.00 128 A 7.98 4.22 1.22 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 0.00 0.00 129 G 7.93 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.86 4.42 0.00 3.93 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 0.00 131 A 7.09 4.65 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 0.00 132 R 7.59 4.53 0.00 1.87 1.87 0.00 3.16 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 133 S 7.94 4.55 0.00 3.91 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 0.00 134 M 7.68 4.18 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.48 0.00 135 G 9.41 3.85 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 0.00 0.00 0.00 136 V 6.78 3.12 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 0.66 0.00 0.00 0.90 0.00 0.00 137 E 8.28 4.12 0.00 2.09 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 2.30 2.28 0.00 138 V 7.48 5.19 1.95 0.00 0.00 0.00 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 0.64 0.00 0.00 139 V 6.96 3.48 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 0.85 0.00 0.00 0.94 0.00 0.00 140 G 8.50 4.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *141 A 7.48 4.09 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 * Residues marked with a * may have inaccurate shift predictions.