NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.9584 0.0000 0.0000 61.9176 33.1710 174.7753 2 L 5.1522 8.0261 121.0468 50.9018 45.2504 173.0821 3 R 4.6903 9.3573 119.4602 56.5524 33.0789 178.1058 *5 G 3.7806 9.0293 109.7981 45.7551 0.0000 172.4153 6 G 3.8200 8.9187 107.7592 48.1265 0.0000 173.8067 7 N 4.7881 8.1800 116.5593 52.5577 37.8684 175.2996 8 G 4.1207 7.8695 104.3590 47.5665 0.0000 173.7705 9 Q 4.7604 7.3981 117.8349 53.4025 31.7946 175.0932 10 L 4.4490 8.7679 125.6605 55.0464 42.5850 176.1167 11 Q 4.8528 9.5619 124.2711 54.4437 32.4550 173.2376 12 Y 5.4168 8.7826 125.6039 55.6607 41.3426 174.6548 13 W 5.1329 7.2911 121.9873 53.9729 31.3056 173.1490 14 P 3.9812 0.0000 0.0000 61.9340 31.6566 176.0905 15 F 4.1724 8.1567 118.3120 58.2075 39.6650 175.8102 16 S 4.3973 8.7133 118.8229 57.8547 64.0105 175.4348 17 S 3.8993 8.6859 123.8063 61.5958 62.5927 176.8943 18 S 4.1448 7.7633 118.8279 61.4367 62.4526 176.3645 19 D 3.6520 7.6160 120.8967 57.0130 40.5816 178.5777 20 L 3.4875 6.7892 118.7031 57.9890 41.5421 179.3907 21 Y 4.3299 7.8036 116.8504 60.8522 37.8574 178.0893 22 N 4.3547 8.2979 117.9937 56.1034 38.4143 177.3841 23 W 4.4652 7.8794 119.5260 59.6455 28.9467 178.1949 24 K 4.1771 8.2723 119.4970 59.7840 31.5531 178.5800 25 N 4.6209 8.6101 115.0299 55.1286 38.5260 176.1183 26 N 4.9180 7.7837 115.9379 52.0941 39.3007 174.1181 27 N 5.0974 7.2398 116.1518 50.5857 42.7266 172.5195 28 P 4.5568 0.0000 0.0000 61.9429 32.5668 176.6345 29 S 4.4147 8.6203 114.3962 58.1530 64.6778 175.1780 30 F 4.1607 8.7288 124.1019 61.5769 38.9779 177.4709 31 S 4.1373 8.2026 113.8221 61.5273 62.7089 176.0615 32 E 4.3162 7.8964 120.1062 58.3452 29.7245 177.5916 33 D 4.4091 7.7882 118.7386 51.7686 42.9374 173.6319 34 P 4.0046 0.0000 0.0000 64.1213 31.3624 178.1919 35 G 3.6440 8.0551 104.3747 47.5708 0.0000 175.7906 36 K 3.9796 7.7127 119.7822 59.5438 32.1561 179.5983 37 L 4.0752 7.9177 118.6202 57.8964 41.4956 179.6156 38 T 3.9041 8.2402 115.7617 66.6475 68.4471 176.5096 39 A 3.9617 8.1217 122.6660 54.8270 18.2753 179.4611 40 L 3.7002 7.9013 118.8166 58.4420 42.1838 179.3553 41 I 3.4771 7.9301 120.1184 64.0572 37.1134 177.8966 42 E 3.8741 8.4287 120.6583 59.3303 29.3520 178.9373 43 S 4.0900 7.9730 112.8452 61.5112 62.4669 176.1868 44 V 3.5077 7.7737 121.2024 66.0346 30.8898 177.7769 45 L 3.9941 8.0940 118.2254 57.8633 41.7537 179.3768 46 T 4.2159 7.4302 114.5505 66.5409 68.6069 177.3819 47 T 4.0200 8.0054 110.3605 64.5773 69.2390 175.3813 48 H 4.5413 8.7324 116.9954 54.7589 30.2798 174.6308 49 Q 3.7026 7.4831 118.7279 56.2499 26.4363 172.5193 50 P 4.3723 0.0000 0.0000 62.5421 32.7672 177.7437 51 T 4.3926 8.6889 111.9212 60.6536 71.2064 175.5357 52 W 3.8237 8.7412 129.4292 60.7588 30.5328 177.2819 53 D 4.3782 8.3585 118.2121 57.5672 40.3244 178.2876 54 D 4.5149 8.1791 119.3280 57.7129 40.7257 178.7407 55 C 4.2193 8.2766 117.3555 62.9447 28.0860 176.1901 56 Q 3.7277 7.6379 119.6373 58.7330 28.0888 178.6686 57 Q 3.8967 8.1452 120.5889 58.9566 29.2625 177.8484 58 L 3.7413 8.5181 121.5994 58.2446 42.1164 178.9648 59 L 4.0066 8.1296 119.0629 57.8135 41.3897 179.8910 60 G 3.5952 8.2732 104.4596 47.4797 0.0000 175.2157 61 T 4.2379 7.4613 116.7627 65.4586 69.0027 176.3404 62 L 4.4324 7.6839 118.6332 54.2750 42.5741 176.5988 63 L 4.9657 7.2345 117.9387 52.3819 44.7723 176.8571 64 T 4.3602 8.9588 112.9388 60.9637 70.9631 176.1007 65 G 3.6328 8.5286 107.4850 47.9917 0.0000 175.4261 66 E 3.9842 8.1893 120.6650 59.2508 29.5624 179.1504 67 E 4.0010 8.0902 118.2144 59.3795 29.5431 179.3790 68 K 3.7814 8.2167 119.7906 59.4968 32.2560 178.4432 69 Q 3.9533 8.2164 119.8530 59.2103 28.9547 178.1988 70 R 3.8824 7.8523 119.2828 59.4941 30.0959 178.6583 71 V 3.4953 7.7378 117.8688 66.0807 31.5494 178.0931 72 L 4.0825 8.3312 119.0843 57.5371 41.3821 179.5893 73 L 3.9703 7.9661 119.2057 57.8976 41.3835 179.3706 74 E 3.9420 7.9658 117.1083 59.0722 29.6839 178.9809 75 A 3.8616 7.6194 121.0195 55.1199 18.1207 179.9697 76 R 3.8327 7.5862 116.4371 58.8728 29.9072 178.9201 77 K 4.0174 7.7699 118.1260 58.1995 32.2931 177.6118 78 A 4.3601 7.2691 118.7832 51.2757 19.3253 177.4299 79 V 3.7251 7.0882 118.9262 62.7937 32.2907 175.1627 80 R 4.8015 8.2902 124.3377 54.2212 33.4481 176.0206 81 G 3.9819 8.9387 110.6873 44.4930 0.0000 173.9983 82 N 4.5634 8.6583 115.4227 54.2322 37.2778 175.0868 83 D 4.6307 8.0166 117.7125 52.8611 39.8488 177.0536 84 G 3.8954 8.1279 107.0791 46.1820 0.0000 173.8108 85 R 4.6806 7.7552 118.3081 53.0132 32.6948 174.0007 86 P 4.7368 0.0000 0.0000 63.3894 31.9002 176.0299 87 T 4.6765 8.0233 113.7073 60.7102 70.2567 173.6516 88 Q 4.5339 8.5477 124.3739 55.0664 30.2488 175.8732 89 L 3.9645 7.6945 119.9353 54.6156 42.3898 175.6183 90 P 4.2763 0.0000 0.0000 65.8719 31.3960 178.0986 91 N 4.3709 8.2211 114.9437 56.2610 36.9364 176.9165 92 E 4.0343 8.1317 120.3758 58.9148 29.6462 179.2537 93 V 3.6848 8.0815 118.4668 66.2845 31.4443 177.9430 94 D 4.4568 8.4671 117.5432 57.2200 40.6726 178.3084 95 A 4.2759 8.0267 120.5617 54.6575 18.4671 179.0150 96 A 4.5925 7.8960 118.5682 53.6532 20.4615 177.8104 97 F 5.1406 8.4488 117.8976 55.8809 39.5144 172.0104 98 P 4.5105 0.0000 0.0000 62.3490 32.1110 176.9317 99 L 4.5952 8.5140 120.7867 55.6431 42.3763 176.5689 100 E 4.7316 7.6072 116.7548 53.5089 32.6008 175.3812 101 R 2.0000 7.8606 120.9885 55.5075 29.9474 174.7975 102 P 3.9709 0.0000 0.0000 61.8143 32.2624 174.8046 103 D 4.6053 7.6983 115.2770 52.9128 39.8238 176.6228 104 W 4.2663 7.7128 120.5474 57.9863 29.3103 175.3066 105 D 4.5602 8.6560 124.2941 52.4841 40.7239 176.2936 106 Y 4.3536 8.0342 125.6455 59.0316 38.2057 176.7795 107 T 4.2904 8.2707 110.8238 62.6813 69.6330 175.0790 108 T 4.6469 7.6816 114.1396 59.9123 72.3203 174.9415 109 Q 3.9325 8.5310 123.2082 59.4607 29.1181 179.0690 110 R 3.9688 7.9550 118.8495 59.0892 30.2147 179.1069 111 G 3.5126 7.9466 105.0687 47.7126 0.0000 175.8082 112 R 3.9770 8.1765 120.9728 59.2695 30.2866 178.9006 113 N 4.2791 8.3962 116.3582 56.6903 38.4339 177.2692 114 H 3.7271 7.9598 117.4964 58.4155 28.4337 177.9337 115 L 4.0373 7.6104 121.0158 57.5940 41.4857 179.5656 116 V 3.6027 7.7582 118.3008 65.9187 31.4519 177.8981 117 L 4.2397 7.7179 121.0256 57.7264 41.9117 178.1639 118 Y 4.3000 8.4389 119.9459 61.0140 38.7979 178.4739 119 R 4.0160 8.4705 118.9886 59.3055 30.0706 179.0185 120 Q 4.0197 8.2422 117.8592 59.0738 28.7359 178.9985 121 L 4.0258 8.1581 119.9964 57.5269 41.3966 179.2604 122 L 3.8723 7.8723 119.5919 58.0007 42.0869 178.5581 123 L 4.0420 7.7521 118.9684 58.0983 42.3173 178.3820 124 A 4.5325 7.7757 122.5525 54.3814 18.2206 180.2405 125 G 3.5500 8.1028 101.0949 45.7229 0.0000 175.3412 *127 Q 4.3186 7.9944 121.1518 55.8147 31.0219 177.5617 128 N 4.3539 8.6087 115.2751 56.2543 38.7362 177.4184 129 A 4.1095 8.5144 120.5351 55.0510 18.6668 179.0557 130 G 3.5773 7.8441 103.2307 48.3305 0.0000 173.8467 131 R 4.1026 7.6037 122.4249 56.2672 30.1118 176.1518 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 3.96 0.00 0.49 0.97 0.00 2.30 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.76 0.00 2 L 8.03 5.15 0.00 1.46 1.39 0.81 -0.27 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 3 R 9.36 4.69 0.00 1.94 1.58 0.00 2.60 0.00 0.00 2.44 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 *5 G 9.03 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 6 G 8.92 3.82 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 0.00 0.00 0.00 7 N 8.18 4.79 0.00 2.89 3.04 0.00 0.00 6.16 7.97 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 8 G 7.87 4.12 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 0.00 0.00 0.00 9 Q 7.40 4.76 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.05 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 10 L 8.77 4.45 0.00 1.73 1.60 0.96 0.96 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 11 Q 9.56 4.85 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 12 Y 8.78 5.42 0.00 2.84 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 13 W 7.29 5.13 0.00 3.12 2.87 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 14 P 0.00 3.98 0.00 2.19 2.14 0.00 3.57 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 15 F 8.16 4.17 0.00 3.16 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 16 S 8.71 4.40 0.00 3.95 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 17 S 8.69 3.90 0.00 4.09 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 18 S 7.76 4.14 0.00 3.80 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 0.00 19 D 7.62 3.65 0.00 2.28 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 6.79 3.49 0.00 1.19 1.21 0.62 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.80 4.33 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.30 4.35 0.00 2.66 2.84 0.00 0.00 6.93 8.21 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 23 W 7.88 4.47 0.00 3.41 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 24 K 8.27 4.18 0.00 2.03 2.12 0.00 1.91 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.56 7.81 25 N 8.61 4.62 0.00 2.80 2.89 0.00 0.00 7.04 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 26 N 7.78 4.92 0.00 2.94 2.89 0.00 0.00 6.73 7.32 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 27 N 7.24 5.10 0.00 2.85 2.69 0.00 0.00 6.92 7.90 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 28 P 0.00 4.56 0.00 2.18 2.07 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 29 S 8.62 4.41 0.00 4.15 4.08 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 30 F 8.73 4.16 0.00 3.12 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 0.00 31 S 8.20 4.14 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.32 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 33 D 7.79 4.41 0.00 2.60 2.46 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 34 P 0.00 4.00 0.00 1.82 0.67 0.00 3.75 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.51 0.00 35 G 8.06 3.64 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 0.00 36 K 7.71 3.98 0.00 1.82 2.05 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.62 7.81 37 L 7.92 4.08 0.00 1.89 1.80 1.12 0.76 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 38 T 8.24 3.90 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 1.25 0.00 0.00 39 A 8.12 3.96 1.33 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 0.00 0.00 40 L 7.90 3.70 0.00 1.62 1.65 0.73 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.93 3.48 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.30 0.84 0.00 0.00 42 E 8.43 3.87 0.00 2.06 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 2.29 2.31 0.00 43 S 7.97 4.09 0.00 3.88 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 44 V 7.77 3.51 1.71 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 0.90 0.00 0.00 -0.19 0.00 0.00 45 L 8.09 3.99 0.00 1.78 1.76 0.94 0.83 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 46 T 7.43 4.22 4.38 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 1.23 0.00 0.00 47 T 8.01 4.02 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 1.29 0.00 0.00 48 H 8.73 4.54 0.00 3.49 3.26 0.00 5.93 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 49 Q 7.48 3.70 0.00 2.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 50 P 0.00 4.37 0.00 2.25 2.08 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 51 T 8.69 4.39 4.35 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 1.26 0.00 0.00 52 W 8.74 3.82 0.00 3.05 2.95 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 0.00 0.00 0.00 53 D 8.36 4.38 0.00 2.79 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 8.18 4.51 0.00 2.99 2.76 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 0.00 0.00 0.00 0.00 55 C 8.28 4.22 0.00 3.05 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 56 Q 7.64 3.73 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 57 Q 8.15 3.90 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 58 L 8.52 3.74 0.00 1.99 1.71 0.88 0.57 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 59 L 8.13 4.01 0.00 1.64 1.62 0.89 1.03 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 60 G 8.27 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 61 T 7.46 4.24 4.29 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 1.04 0.00 0.00 62 L 7.68 4.43 0.00 1.61 1.72 0.92 0.87 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 63 L 7.23 4.97 0.00 1.60 1.43 0.60 0.46 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 64 T 8.96 4.36 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 1.24 0.00 0.00 65 G 8.53 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 66 E 8.19 3.98 0.00 2.05 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 2.42 2.43 0.00 67 E 8.09 4.00 0.00 2.24 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 2.56 2.41 0.00 68 K 8.22 3.78 0.00 1.81 1.92 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 69 Q 8.22 3.95 0.00 2.39 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 70 R 7.85 3.88 0.00 2.12 2.14 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 71 V 7.74 3.50 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 0.85 0.00 0.00 0.58 0.00 0.00 72 L 8.33 4.08 0.00 1.77 1.92 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.97 3.97 0.00 1.87 1.70 0.93 0.80 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 74 E 7.97 3.94 0.00 1.98 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 2.52 2.55 0.00 75 A 7.62 3.86 0.23 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 76 R 7.59 3.83 0.00 1.99 2.01 0.00 3.42 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 77 K 7.77 4.02 0.00 1.81 1.96 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 78 A 7.27 4.36 1.27 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 0.00 0.00 79 V 7.09 3.73 2.20 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 1.01 0.00 0.00 1.08 0.00 0.00 80 R 8.29 4.80 0.00 1.80 1.78 0.00 3.25 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 81 G 8.94 3.98 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 0.00 0.00 0.00 82 N 8.66 4.56 0.00 2.83 2.96 0.00 0.00 5.85 8.06 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 83 D 8.02 4.63 0.00 2.77 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 84 G 8.13 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 85 R 7.76 4.68 0.00 2.03 1.82 0.00 3.15 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 86 P 0.00 4.74 0.00 2.04 1.99 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 87 T 8.02 4.68 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 1.29 0.00 0.00 88 Q 8.55 4.53 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 89 L 7.69 3.96 0.00 1.69 1.66 0.98 0.99 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 90 P 0.00 4.28 0.00 2.17 2.15 0.00 3.62 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 91 N 8.22 4.37 0.00 3.02 3.11 0.00 0.00 6.22 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 8.13 4.03 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 93 V 8.08 3.68 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.99 0.00 0.00 94 D 8.47 4.46 0.00 2.79 2.76 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 0.00 0.00 0.00 0.00 95 A 8.03 4.28 1.48 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 0.00 0.00 96 A 7.90 4.59 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 97 F 8.45 5.14 0.00 3.08 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 98 P 0.00 4.51 0.00 1.81 1.74 0.00 3.97 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 2.04 0.00 99 L 8.51 4.60 0.00 1.73 1.84 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.61 4.73 0.00 1.72 1.68 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 2.19 2.15 0.00 101 R 7.86 2.00 0.00 1.25 1.43 0.00 3.05 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.08 0.00 102 P 0.00 3.97 0.00 0.49 0.74 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 7.70 4.61 0.00 2.71 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 0.00 104 W 7.71 4.27 0.00 3.33 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 0.00 105 D 8.66 4.56 0.00 2.60 2.51 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 0.00 106 Y 8.03 4.35 0.00 3.09 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 8.27 4.29 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 1.05 0.00 0.00 108 T 7.68 4.65 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 1.18 0.00 0.00 109 Q 8.53 3.93 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 110 R 7.95 3.97 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 111 G 7.95 3.51 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 0.00 112 R 8.18 3.98 0.00 2.11 2.01 0.00 3.17 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 113 N 8.40 4.28 0.00 2.87 2.74 0.00 0.00 7.10 7.75 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 0.00 114 H 7.96 3.73 0.00 2.28 1.31 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.61 4.04 0.00 1.90 1.79 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.76 3.60 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 1.00 0.00 0.00 0.96 0.00 0.00 117 L 7.72 4.24 0.00 1.80 1.76 0.95 0.47 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 0.00 118 Y 8.44 4.30 0.00 3.54 3.37 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 0.00 119 R 8.47 4.02 0.00 2.11 2.03 0.00 3.26 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.08 0.00 120 Q 8.24 4.02 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 121 L 8.16 4.03 0.00 1.99 1.49 1.12 0.38 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 0.00 122 L 7.87 3.87 0.00 1.72 1.83 0.96 0.82 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 0.00 123 L 7.75 4.04 0.00 1.66 1.82 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.78 4.53 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 0.00 125 G 8.10 3.55 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 0.00 0.00 0.00 *127 Q 7.99 4.32 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 128 N 8.61 4.35 0.00 2.70 2.85 0.00 0.00 6.96 7.51 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 0.00 129 A 8.51 4.11 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 0.00 130 G 7.84 3.58 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 0.00 131 R 7.60 4.10 0.00 1.95 1.83 0.00 3.19 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 * Residues marked with a * may have inaccurate shift predictions.