NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.5446 8.1132 109.1369 45.8093 0.0000 176.0192 4 L 4.1925 7.7897 119.8824 55.4502 41.6004 177.0567 5 D 4.4049 8.3635 118.4757 57.1317 41.2160 177.4665 6 K 3.6426 7.1443 119.4606 59.5340 32.1052 177.6111 7 Y 4.6093 7.4211 114.4809 58.4919 39.9603 175.7898 8 L 4.7758 8.2585 119.6947 51.8689 41.9613 172.9878 9 P 4.6728 0.0000 0.0000 63.2079 31.9051 177.4859 10 G 3.7998 8.8056 111.0445 46.0106 0.0000 172.7709 11 I 4.2787 7.4237 120.7529 59.8119 37.5938 175.4211 12 E 4.4957 8.6811 125.3030 57.1257 31.0185 176.3463 13 K 5.2344 8.0285 117.0567 54.4844 36.1674 175.6638 14 L 4.9913 9.0047 122.6718 52.7221 45.8907 176.2304 15 R 4.7308 8.9142 121.1323 56.5172 31.6344 175.9859 16 R 4.9955 9.0349 123.3029 54.6425 33.4604 174.8298 17 G 3.6259 8.9932 116.2233 47.4514 0.0000 173.2856 18 D 4.9699 8.9898 123.5802 53.6240 41.4987 176.1112 19 G 4.4602 8.2762 108.9841 45.4948 0.0000 171.9598 20 E 5.4688 8.9034 120.3260 54.9014 34.0521 175.3941 21 V 4.6714 8.9229 114.3630 59.4206 36.1902 175.2032 22 E 4.6511 8.6404 121.8739 55.9619 30.4027 178.4987 23 V 3.6809 8.7500 122.8119 66.1384 31.5182 178.6120 24 K 4.0559 8.2337 117.9950 59.1994 31.6525 178.5350 25 S 4.4154 7.9933 112.9155 60.0106 63.2885 175.2669 26 L 4.4032 7.9788 122.2683 53.6116 41.6204 176.0190 27 A 4.2315 7.1536 122.3053 54.1759 18.5302 178.5349 28 G 4.0162 9.3731 111.4414 45.1668 0.0000 173.7815 29 K 4.7416 7.8293 119.3440 55.3728 34.2689 175.7829 30 L 4.4884 8.5277 124.7943 54.8125 43.6076 175.6047 31 V 4.6374 8.7025 126.1491 61.1184 34.2543 173.9387 32 F 5.0684 9.1204 127.6045 56.0075 40.9155 175.0459 33 F 4.9047 8.9879 124.2387 57.1801 40.2829 174.1559 34 Y 5.1969 8.9972 126.7768 56.1262 40.2771 174.3247 35 F 5.0040 8.9994 127.4158 56.0005 40.4748 175.4009 36 S 4.4087 8.2230 116.9950 57.9758 66.1377 172.2109 37 A 5.1894 7.8969 120.8567 50.5462 21.4647 177.8287 38 S 3.0339 9.4432 115.5663 60.4024 63.0416 175.6300 39 W 4.4325 7.4302 115.4947 56.8604 28.4824 175.4853 40 C 4.4234 7.4827 121.6584 58.1413 31.1133 171.8997 41 P 4.3728 0.0000 0.0000 65.3110 30.9668 176.9516 42 P 4.3882 0.0000 0.0000 65.4260 31.1183 178.0212 43 A 4.2550 7.7576 119.4782 54.7936 17.9584 179.6655 44 R 4.0287 7.8823 116.6791 59.5557 30.2358 179.0494 45 G 3.7891 8.0976 104.7875 47.2263 0.0000 175.5823 46 F 4.2839 8.0547 123.1349 61.3499 39.4021 177.3518 47 T 3.7561 8.3830 115.8082 66.4626 68.3373 174.7141 48 P 4.1783 0.0000 0.0000 65.5581 31.3136 178.7229 49 Q 3.9496 7.3062 116.8719 58.6999 28.5203 178.4311 50 L 3.7824 7.2679 121.4572 57.9466 41.9300 179.0664 51 I 3.9581 8.1045 120.2605 64.3151 37.0069 177.9860 52 E 3.9173 8.3452 120.1792 59.2522 29.4941 178.6275 53 F 4.1248 8.3937 120.7184 61.4273 39.4152 176.3740 54 Y 4.4163 8.9041 119.6044 61.1125 38.4812 177.8644 55 D 4.3271 8.4390 118.7845 57.3294 40.9672 178.6906 56 K 3.6943 7.5977 118.0675 58.3967 32.1508 177.8647 57 F 4.9494 7.8586 114.0379 55.6736 41.1621 176.6386 58 H 2.5800 7.8768 117.4314 57.8518 28.6690 177.8261 59 E 3.6677 7.4315 119.4471 59.0800 29.6287 179.1933 60 S 4.0821 7.8354 112.9515 60.5825 63.3277 175.3786 61 K 4.2989 8.2261 118.2104 55.0618 32.8085 175.7002 62 N 4.1284 7.7617 117.4168 54.4977 37.2847 171.8481 63 F 5.6600 8.0363 112.7155 55.3861 42.3382 175.1638 64 E 5.1605 9.6137 119.1950 54.5969 33.7787 173.9943 65 V 4.8664 8.7877 122.9586 61.0148 34.5285 174.2332 66 V 4.8809 8.8513 127.8999 60.8313 33.9947 174.2869 67 F 5.0109 9.7574 132.4903 58.7183 40.7852 173.6718 68 C 4.7305 9.0804 124.8184 57.9228 29.6793 173.0682 69 T 4.1701 7.8630 118.8118 61.5309 67.7262 174.0173 70 W 5.1219 9.0368 126.9483 56.6450 30.1194 176.1187 71 D 4.9979 8.6494 121.4225 54.8360 40.6729 176.2631 72 E 4.6758 9.2053 121.8690 56.6879 30.7917 176.1341 73 E 4.7821 8.1068 119.5733 54.1975 32.4092 176.0507 74 E 2.5400 8.3403 124.0514 59.1025 29.6754 178.7690 75 D 4.5065 8.0422 118.5012 57.2147 40.9858 178.8966 76 G 3.6821 8.0686 105.7882 47.6801 0.0000 175.2274 77 F 4.4507 8.4722 123.2657 61.1849 39.4691 177.0911 78 A 4.0066 8.7126 120.8357 55.1301 17.9867 179.8570 79 G 3.5732 7.9879 103.2336 47.9590 0.0000 175.1285 80 Y 4.3970 8.0448 121.7498 60.5797 38.8467 177.5394 81 F 3.8954 8.3687 121.7373 61.0376 39.1552 176.8171 82 A 3.6339 7.6468 119.4608 54.0814 18.1050 178.0698 83 K 4.1072 7.2483 114.9909 56.3645 32.3646 176.2449 84 M 3.7814 7.1153 119.3835 52.5508 34.0108 174.2147 85 P 4.2603 0.0000 0.0000 62.7437 32.8782 176.2808 86 W 5.0039 6.2509 117.7185 56.3214 30.9105 174.8140 87 L 5.3813 9.1476 118.9543 53.7995 44.5281 175.3594 88 A 5.2078 8.6283 120.4479 50.2086 22.8085 175.9638 89 V 3.9316 8.3606 121.7965 62.0922 32.2113 174.5546 90 P 4.3541 0.0000 0.0000 62.3769 32.0320 176.9626 91 F 3.3403 8.5314 123.4904 61.1121 39.2744 177.2348 92 A 3.9623 7.9866 121.8396 54.4467 18.4503 177.4732 93 Q 4.5753 7.8310 115.2645 56.0102 29.4694 178.2742 94 S 3.9580 7.4209 117.7691 61.6201 62.6723 175.9686 95 E 4.0224 8.0655 120.6839 59.4419 29.1880 179.0730 96 A 3.9900 7.7811 120.3771 55.0940 18.3233 179.9011 97 V 3.6089 7.5330 116.3438 66.2233 31.6944 178.1948 98 Q 4.0050 8.3193 118.0314 58.8867 28.4446 178.8543 99 K 4.0144 8.1913 119.6185 59.2416 32.0736 179.2195 100 L 4.0202 8.1922 120.7726 58.2177 41.9638 179.1196 101 S 4.0317 8.6839 115.6008 61.4641 62.7784 176.6859 102 K 3.9239 8.1427 122.2582 59.7368 31.7639 178.1768 103 H 4.0026 8.2563 117.6123 59.0708 29.7721 176.2168 104 F 4.6359 7.9902 116.0847 56.0137 39.6423 175.0670 105 N 4.0358 8.0452 116.3650 54.3811 37.6417 175.0577 106 V 3.8137 8.1468 117.4568 62.6298 31.8287 174.8083 107 E 4.7822 8.8531 126.6668 56.5472 31.4917 176.0956 108 S 4.9485 7.8309 111.0835 56.3062 66.2701 172.8600 109 I 4.3150 7.8126 113.7380 57.9064 40.1309 173.3927 110 P 4.6202 0.0000 0.0000 63.2869 32.3344 175.5847 111 T 4.6528 8.5922 116.9888 61.8923 73.6206 172.7446 112 L 5.3229 8.4491 125.7255 53.5959 45.5754 174.8037 113 I 4.5508 9.1207 127.3565 59.4505 40.3836 174.6460 114 G 3.8980 9.1525 115.0339 44.4382 0.0000 172.8711 115 V 4.9959 8.3091 117.9428 59.1653 36.0736 174.3891 116 D 4.6937 9.0491 123.9044 54.0025 41.7846 176.6706 117 A 4.0230 9.0311 128.7594 55.5977 18.5661 179.5453 118 D 4.3399 8.3901 115.1375 57.0064 41.2371 178.4418 119 S 4.3420 8.5302 112.1708 58.0962 63.8271 175.5336 120 G 4.1472 8.5292 108.2941 45.2220 0.0000 173.3465 121 D 4.6627 8.0390 120.5937 54.1202 42.0711 176.0202 122 V 4.0048 8.5884 122.9249 63.5420 31.9623 175.0690 123 V 4.1619 9.0606 127.9674 64.5055 33.2726 175.2646 124 T 5.2297 7.5615 113.8770 60.8019 70.7192 173.6624 125 T 4.4288 9.3704 116.7948 61.6374 69.7386 174.7575 126 R 4.4895 7.7800 120.1781 55.8024 31.1684 177.3787 127 A 4.0577 7.6509 123.4481 54.4548 17.9058 180.5319 128 R 3.3059 7.6774 116.1382 59.1198 30.1259 178.0209 129 A 4.0075 7.4654 119.6107 54.8928 19.1527 179.1091 130 T 3.7055 7.4565 108.1880 64.1976 68.9398 176.8704 131 L 2.9735 7.0965 123.4003 57.7582 41.7876 179.4044 132 V 3.7333 7.5413 110.3211 63.3726 31.6302 177.4281 133 K 4.4222 7.4805 115.6950 56.0003 34.0184 176.0012 134 D 4.9615 7.7971 118.8173 51.9717 41.0408 174.1591 135 P 4.5841 0.0000 0.0000 65.4004 32.0017 177.7634 136 E 4.7275 8.5423 116.4154 55.5303 30.0197 175.7784 137 G 4.2014 8.8232 107.6972 46.6667 0.0000 176.3710 138 E 4.0122 8.9425 120.9338 58.3594 29.8521 178.1422 139 Q 4.5355 9.0368 116.2782 55.0826 29.4888 175.0700 140 F 2.4912 7.2810 120.5280 57.7212 39.5468 172.7942 141 P 2.9700 0.0000 0.0000 61.7731 31.7355 175.4737 142 W 3.5821 7.3958 115.0571 58.1517 26.6816 175.2961 143 K 4.2162 7.9297 116.1749 56.9120 32.2549 178.2897 144 D 4.6523 8.7488 124.1743 54.0769 41.5952 176.3421 145 A 4.0168 8.5682 125.2316 52.2701 19.3382 176.6860 *146 P 4.1535 0.0000 0.0000 62.3347 31.5907 175.9488 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 3 G 8.11 4.54 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 4 L 7.79 4.19 0.00 1.91 1.94 1.03 0.94 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 5 D 8.36 4.40 0.00 2.78 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 6 K 7.14 3.64 0.00 1.43 0.97 0.00 1.58 0.00 0.00 0.96 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.96 1.22 7.81 7 Y 7.42 4.61 0.00 3.32 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.26 4.78 0.00 1.72 1.62 1.18 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.67 0.00 2.15 2.10 0.00 3.46 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 1.97 1.89 0.00 10 G 8.81 3.80 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 0.00 0.00 0.00 11 I 7.42 4.28 1.91 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 1.30 0.65 0.96 0.00 0.00 12 E 8.68 4.50 0.00 1.94 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 2.37 2.35 0.00 13 K 8.03 5.23 0.00 1.62 1.70 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.47 7.81 14 L 9.00 4.99 0.00 1.61 1.74 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.91 4.73 0.00 1.64 2.10 0.00 3.34 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 16 R 9.03 5.00 0.00 1.98 1.84 0.00 3.32 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 17 G 8.99 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.99 4.97 0.00 2.68 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 19 G 8.28 4.46 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 0.00 20 E 8.90 5.47 0.00 1.86 1.86 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 2.28 2.39 0.00 21 V 8.92 4.67 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 0.80 0.00 0.00 1.03 0.00 0.00 22 E 8.64 4.65 0.00 2.07 1.90 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 2.43 2.33 0.00 23 V 8.75 3.68 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 1.12 0.00 0.00 1.08 0.00 0.00 24 K 8.23 4.06 0.00 1.87 1.89 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.54 7.81 25 S 7.99 4.42 0.00 4.07 4.04 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 26 L 7.98 4.40 0.00 1.89 1.78 1.00 0.69 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 27 A 7.15 4.23 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 28 G 9.37 4.02 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 0.00 0.00 0.00 29 K 7.83 4.74 0.00 1.91 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.51 7.81 30 L 8.53 4.49 0.00 1.75 1.62 0.57 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.70 4.64 1.77 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 0.48 0.00 0.00 0.90 0.00 0.00 32 F 9.12 5.07 0.00 2.99 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 33 F 8.99 4.90 0.00 3.03 2.42 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 34 Y 9.00 5.20 0.00 2.74 2.81 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 0.00 0.00 0.00 35 F 9.00 5.00 0.00 2.73 2.34 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 36 S 8.22 4.41 0.00 2.89 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 37 A 7.90 5.19 0.15 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 0.00 0.00 38 S 9.44 3.03 0.00 3.75 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 39 W 7.43 4.43 0.00 3.49 3.24 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 40 C 7.48 4.42 0.00 2.30 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 41 P 0.00 4.37 0.00 2.25 2.14 0.00 3.80 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 42 P 0.00 4.39 0.00 2.26 2.33 0.00 3.66 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 2.19 2.05 0.00 43 A 7.76 4.26 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 44 R 7.88 4.03 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 45 G 8.10 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 46 F 8.05 4.28 0.00 3.12 3.18 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 47 T 8.38 3.76 4.36 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 1.31 0.00 0.00 48 P 0.00 4.18 0.00 2.11 2.06 0.00 3.60 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 2.10 2.15 0.00 49 Q 7.31 3.95 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 50 L 7.27 3.78 0.00 0.74 1.34 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.10 3.96 1.95 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.60 0.82 0.00 0.00 52 E 8.35 3.92 0.00 2.13 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 0.00 2.32 2.30 0.00 53 F 8.39 4.12 0.00 3.45 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 54 Y 8.90 4.42 0.00 3.57 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 55 D 8.44 4.33 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 56 K 7.60 3.69 0.00 0.79 0.74 0.00 1.32 0.00 0.00 1.19 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.03 1.27 7.81 57 F 7.86 4.95 0.00 2.76 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 58 H 7.88 2.58 0.00 2.31 2.22 0.00 5.26 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.43 3.67 0.00 1.80 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.54 0.00 60 S 7.84 4.08 0.00 3.97 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 61 K 8.23 4.30 0.00 1.76 1.31 0.00 0.73 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.06 7.81 62 N 7.76 4.13 0.00 2.91 2.83 0.00 0.00 6.66 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 63 F 8.04 5.66 0.00 3.34 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 64 E 9.61 5.16 0.00 2.21 1.91 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 2.34 2.46 0.00 65 V 8.79 4.87 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 -0.34 0.00 0.00 0.89 0.00 0.00 66 V 8.85 4.88 2.22 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 1.15 0.00 0.00 1.01 0.00 0.00 67 F 9.76 5.01 0.00 3.46 3.19 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 68 C 9.08 4.73 0.00 1.92 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 69 T 7.86 4.17 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 1.21 0.00 0.00 70 W 9.04 5.12 0.00 3.12 3.50 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 71 D 8.65 5.00 0.00 3.18 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 72 E 9.21 4.68 0.00 2.08 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 2.34 2.51 0.00 73 E 8.11 4.78 0.00 2.10 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 2.38 2.43 0.00 74 E 8.34 2.54 0.00 1.28 1.67 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 2.23 1.89 0.00 75 D 8.04 4.51 0.00 2.74 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 76 G 8.07 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 77 F 8.47 4.45 0.00 3.46 3.18 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 78 A 8.71 4.01 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 79 G 7.99 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 80 Y 8.04 4.40 0.00 3.14 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 81 F 8.37 3.90 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 82 A 7.65 3.63 1.25 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 0.00 0.00 83 K 7.25 4.11 0.00 1.75 1.68 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 84 M 7.12 3.78 0.00 0.51 1.37 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 85 P 0.00 4.26 0.00 2.07 1.87 0.00 2.20 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.51 0.00 86 W 6.25 5.00 0.00 3.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.15 5.38 0.00 1.83 1.89 1.06 1.03 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 88 A 8.63 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.36 3.93 1.98 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 0.70 0.00 0.00 0.94 0.00 0.00 90 P 0.00 4.35 0.00 2.19 1.98 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 2.13 2.11 0.00 91 F 8.53 3.34 0.00 2.07 2.84 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 92 A 7.99 3.96 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 93 Q 7.83 4.58 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 94 S 7.42 3.96 0.00 3.40 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.02 0.00 1.93 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 0.00 2.34 2.30 0.00 96 A 7.78 3.99 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 97 V 7.53 3.61 2.22 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 1.43 0.00 0.00 0.84 0.00 0.00 98 Q 8.32 4.01 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 99 K 8.19 4.01 0.00 1.88 1.84 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 100 L 8.19 4.02 0.00 1.92 1.99 0.95 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.68 4.03 0.00 4.19 4.18 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 0.00 102 K 8.14 3.92 0.00 1.82 1.96 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 103 H 8.26 4.00 0.00 3.04 3.36 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 7.99 4.64 0.00 3.14 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 0.00 105 N 8.05 4.04 0.00 2.78 2.84 0.00 0.00 7.05 7.24 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 0.00 106 V 8.15 3.81 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 0.46 0.00 0.00 0.16 0.00 0.00 107 E 8.85 4.78 0.00 2.02 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 2.26 2.56 0.00 108 S 7.83 4.95 0.00 3.93 3.83 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 0.00 0.00 0.00 109 I 7.81 4.31 1.48 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.49 -0.48 0.00 0.00 110 P 0.00 4.62 0.00 2.12 2.21 0.00 3.61 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 1.69 2.02 0.00 111 T 8.59 4.65 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 1.12 0.00 0.00 112 L 8.45 5.32 0.00 1.76 1.49 0.86 0.58 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 0.00 113 I 9.12 4.55 1.83 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 -0.02 0.00 0.00 114 G 9.15 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 0.00 115 V 8.31 5.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.88 0.00 0.00 116 D 9.05 4.69 0.00 2.77 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 0.00 117 A 9.03 4.02 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 0.00 118 D 8.39 4.34 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.53 4.34 0.00 4.01 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 0.00 120 G 8.53 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 0.00 0.00 0.00 121 D 8.04 4.66 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 122 V 8.59 4.00 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 0.83 0.00 0.00 1.34 0.00 0.00 123 V 9.06 4.16 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 0.67 0.00 0.00 0.86 0.00 0.00 124 T 7.56 5.23 4.49 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 1.43 0.00 0.00 125 T 9.37 4.43 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 1.23 0.00 0.00 126 R 7.78 4.49 0.00 1.77 1.82 0.00 3.12 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 127 A 7.65 4.06 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 0.00 128 R 7.68 3.31 0.00 1.43 1.65 0.00 3.09 0.00 0.00 2.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 129 A 7.47 4.01 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 0.00 130 T 7.46 3.71 3.41 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 1.10 0.00 0.00 131 L 7.10 2.97 0.00 0.79 1.40 0.31 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.54 3.73 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 1.08 0.00 0.00 0.94 0.00 0.00 133 K 7.48 4.42 0.00 1.77 1.82 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.35 7.81 134 D 7.80 4.96 0.00 2.86 2.81 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 0.00 0.00 0.00 135 P 0.00 4.58 0.00 2.39 2.30 0.00 3.91 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 2.11 2.07 0.00 136 E 8.54 4.73 0.00 2.11 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 0.00 2.39 2.35 0.00 137 G 8.82 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 0.00 0.00 0.00 0.00 138 E 8.94 4.01 0.00 2.17 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 2.34 2.40 0.00 139 Q 9.04 4.54 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 140 F 7.28 2.49 0.00 2.34 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 0.00 141 P 0.00 2.97 0.00 1.54 0.59 0.00 3.65 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 142 W 7.40 3.58 0.00 3.60 3.12 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 0.00 0.00 0.00 0.00 143 K 7.93 4.22 0.00 1.61 1.74 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.37 7.81 144 D 8.75 4.65 0.00 2.58 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 0.00 145 A 8.57 4.02 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 *146 P 0.00 4.15 0.00 1.85 1.87 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.