NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1583 8.0327 117.2986 63.3154 70.7177 172.1557 2 V 3.8654 7.9572 126.0170 61.6177 32.7305 172.7641 3 A 4.8330 9.4150 132.0041 50.5408 21.9126 174.4480 4 Y 5.0505 8.9858 119.6681 56.3038 40.5756 174.8766 5 I 5.0755 9.0952 125.3062 59.3969 40.5742 174.5276 6 A 4.9206 9.2658 129.1458 51.1506 20.6828 175.9292 7 I 4.7939 8.9060 123.5771 59.4812 39.7295 175.1001 8 G 4.5180 9.1613 114.1198 44.4295 0.0000 171.4150 9 S 5.0634 9.0482 117.5992 55.9706 66.1550 173.7282 10 N 4.1502 8.3678 122.3919 52.3040 37.4059 175.0238 11 L 4.1299 7.3611 118.2795 54.7673 42.3455 177.3149 12 A 4.2028 8.5983 124.6900 54.8035 18.9730 178.4445 13 S 4.9091 7.7206 109.9338 56.3199 63.0972 172.5059 14 P 4.5424 0.0000 0.0000 62.7727 31.8579 177.6299 15 L 3.6099 7.6211 120.3795 58.3853 41.5799 179.0840 16 E 3.9345 8.0211 117.8209 58.9545 29.4353 178.7448 17 Q 3.8611 7.9836 119.4299 59.4572 29.0243 178.8240 18 V 3.4459 7.5077 118.9537 65.7755 31.4467 177.7512 19 N 4.3331 8.3984 116.4694 56.1346 38.3766 176.9497 20 A 3.9734 8.4457 122.3906 55.3778 18.3370 179.6091 21 A 3.9454 8.0963 119.0227 55.2771 18.4517 179.9239 22 L 3.9521 8.1457 117.6746 57.5488 41.4470 179.5273 23 K 3.8851 7.9956 118.5660 59.6183 32.5074 178.4133 24 A 4.1412 8.0000 120.9561 54.9966 18.3619 179.4053 25 L 4.0506 8.3471 118.0768 58.1358 41.5660 180.1033 26 G 3.7396 8.0546 103.6801 46.9466 0.0000 174.3697 27 D 4.7768 7.6233 119.0506 53.1452 41.2437 176.5896 28 I 3.7978 7.1742 122.9547 60.2153 37.6023 174.2236 29 P 4.2904 0.0000 0.0000 63.8318 31.8350 175.3656 30 E 3.8745 8.9410 116.4574 57.2056 27.1692 174.2456 31 S 5.1390 7.5886 111.6110 57.6672 67.3444 172.8400 32 H 4.8979 8.6861 116.3216 54.6159 31.9146 172.7925 33 I 4.3356 8.3381 121.1222 61.6820 37.3169 175.7146 34 L 4.4405 9.1076 127.2091 57.0685 42.6371 177.3136 35 T 4.7491 7.5694 113.2253 62.1688 73.1648 172.8302 36 V 5.0212 8.2386 124.3228 60.9331 34.2371 175.3796 37 S 4.6329 9.2076 122.9600 57.8327 64.1390 173.8890 38 S 4.1401 9.3247 116.9306 58.7204 63.2979 174.6246 39 F 5.0822 8.1708 120.1959 57.6193 40.6464 174.3662 40 Y 5.2806 8.9266 119.0575 56.4140 41.8127 174.5437 41 R 5.2791 9.1018 125.8666 56.0922 30.7108 175.4632 42 T 4.8758 9.1862 117.7184 58.8741 71.8733 172.1092 43 P 5.1068 0.0000 0.0000 61.6483 33.3641 173.9454 44 P 4.7478 0.0000 0.0000 62.4904 30.7380 177.8800 *51 P 4.2953 0.0000 0.0000 62.5099 32.1299 174.7304 52 D 5.0552 8.3269 117.9611 54.1590 43.0220 174.7997 53 Y 4.6751 8.4157 118.6327 56.7141 40.6618 174.3327 54 L 5.1007 8.4645 124.3969 53.7319 44.0108 174.9437 55 N 5.7336 9.3198 123.2299 51.7464 42.4356 173.3277 56 A 5.2574 9.0605 122.3772 50.9171 23.6909 174.7138 57 A 5.3099 9.5404 120.7051 50.1802 22.7433 175.5480 58 V 4.8849 8.9123 120.3563 61.0117 35.0845 174.2205 59 A 4.4877 9.1245 130.5004 50.7962 20.2177 175.6678 60 L 4.8262 8.6997 125.6298 53.1730 44.8301 175.1912 61 E 4.4022 8.5759 128.8176 56.3633 30.5572 175.3760 62 T 5.0453 8.5113 120.7549 61.0891 70.6921 173.4745 63 S 4.6398 8.6439 122.6305 58.3220 63.4167 174.6786 64 L 4.3886 7.7233 121.0985 54.0597 42.2937 177.4752 65 A 4.3122 9.1771 124.2486 51.3152 20.2979 177.2566 66 P 3.4035 0.0000 0.0000 65.3778 31.2665 179.1125 67 E 3.9139 7.8736 115.9212 59.1379 29.6353 178.8817 68 E 3.9483 8.0600 119.1106 59.2221 29.6108 178.7163 69 L 4.0101 8.0257 120.2994 58.2167 42.0392 178.7721 70 L 4.0781 8.0602 121.6134 57.6402 41.9158 178.5354 71 N 4.2938 8.2992 116.4455 56.7738 38.4229 177.1070 72 H 4.1309 8.3310 117.6828 59.0788 28.3389 178.0485 73 T 3.9251 8.4369 112.0842 64.8824 68.6177 176.6840 74 Q 4.0396 8.4686 121.2862 58.5977 28.6252 178.4835 75 R 3.8759 8.2840 120.0788 59.5970 30.0684 178.6891 76 I 3.7140 7.9403 119.6683 64.2977 37.1801 178.1491 77 E 3.9737 8.4720 119.7427 59.5463 29.0944 179.5393 78 L 4.0156 7.6300 117.5386 57.9046 41.7661 179.2604 79 Q 4.1585 8.2562 117.1985 58.1319 28.9055 177.0440 80 Q 4.3962 8.2947 116.7466 55.7126 29.9309 176.0833 81 G 3.8515 7.7166 107.6833 44.2861 0.0000 173.8099 82 R 4.0202 9.2680 126.5455 58.9591 30.4824 176.8113 83 G 4.1417 8.3687 107.2394 45.0501 0.0000 171.9679 *90 G 4.0229 7.7575 108.1240 44.4860 0.0000 172.9789 91 P 4.4123 0.0000 0.0000 65.5234 31.6934 178.7950 92 R 3.7797 8.0503 116.7246 58.7154 30.1098 177.2586 93 T 4.3399 7.7627 104.8537 61.1860 69.3426 173.9085 94 L 4.7315 7.4884 124.3186 53.9110 45.1782 174.5725 95 D 5.0298 9.3000 126.1604 52.5105 44.1306 174.2303 96 L 5.0828 9.6541 127.0514 53.4115 43.4798 175.4942 97 D 5.0431 8.9810 124.9146 52.3433 43.5933 175.9994 98 I 4.3995 8.4933 124.6266 61.5010 37.3660 175.8004 99 M 4.4193 9.4897 128.4637 57.8559 32.9318 176.7007 100 L 5.1725 7.9722 116.8584 53.1027 46.9618 175.4750 101 F 4.6500 8.7609 123.6234 56.7106 40.7812 175.7869 102 G 3.7411 8.2176 121.4719 46.9288 0.0000 171.4641 103 N 4.8265 8.5634 122.2095 53.2127 38.9104 174.2056 104 E 4.4057 8.6427 116.9010 55.9870 30.0836 176.2391 105 V 4.6094 8.2946 122.6458 61.4354 33.3416 174.8590 106 I 4.5709 8.9282 128.4630 59.7784 40.7579 174.6251 107 N 5.3843 8.8246 123.7576 51.2626 38.9793 173.1729 108 T 4.6333 9.1928 113.6970 58.8649 72.1603 176.0130 109 E 3.9340 8.8020 120.4369 59.4646 29.3702 178.9349 110 R 4.2622 7.7946 115.1438 57.1629 31.1113 176.1982 111 L 4.5933 7.7443 120.1123 53.8672 45.7965 174.6547 112 T 5.0473 8.7221 122.7444 61.9193 70.8683 173.4122 113 V 4.5493 8.9447 127.0789 60.0343 34.6083 173.2500 114 P 5.5178 0.0000 0.0000 62.2770 32.1610 175.4761 115 H 4.3058 9.2340 121.8346 57.1444 29.9808 175.6093 116 Y 4.1245 9.0415 123.2800 59.1913 38.2254 176.0763 117 D 4.4698 6.9383 117.5458 53.4142 42.4057 176.9340 118 M 3.9021 7.8078 116.7409 58.7062 31.2194 178.3471 119 K 4.0865 7.8331 116.8642 57.9903 32.3218 176.9225 120 N 4.8512 7.9557 115.3712 52.8205 39.0675 174.8091 121 R 3.7735 7.4118 118.7802 53.5631 32.1572 176.5761 122 G 3.1198 7.5261 113.3400 48.1218 0.0000 174.5826 123 F 4.3609 7.2538 113.0114 58.6442 38.6356 176.4574 124 M 4.3490 7.1832 120.9706 57.4255 32.5694 178.0753 125 L 3.9399 7.7928 119.3656 57.4070 41.8036 179.6172 126 W 4.0743 8.3246 119.2339 59.3790 28.5837 176.8885 127 P 4.5492 0.0000 0.0000 65.4240 30.7327 178.3826 128 L 3.9578 7.8538 118.9957 58.2341 41.8148 178.9239 129 F 4.0975 8.3474 119.5417 60.9549 39.2737 176.3865 130 E 4.1033 8.2245 118.9415 58.8312 29.6345 178.0955 131 I 4.2307 7.3875 109.6208 61.2839 39.8521 175.9472 132 A 4.6401 7.8939 124.2412 50.2501 19.2569 175.2872 133 P 3.7815 0.0000 0.0000 64.4617 31.8570 177.8487 134 E 4.4663 7.8192 116.2555 55.5084 30.0685 175.5462 135 L 3.8176 7.6840 122.4563 55.4998 42.4629 176.0916 136 V 4.7578 7.9268 124.2021 60.9238 34.4079 175.1073 137 F 4.3941 9.3292 125.4500 56.1702 39.7852 174.7481 138 P 5.0765 0.0000 0.0000 65.2846 31.1173 177.8108 139 D 4.4270 8.0949 115.2981 54.3699 39.5856 176.8996 140 G 4.1121 8.4251 107.7558 45.1876 0.0000 174.0926 141 E 4.0962 8.9900 120.8216 56.6595 30.2745 175.6557 142 M 4.9552 8.3411 121.9099 53.3872 35.0975 176.9510 143 L 4.1670 8.4976 125.4749 58.5709 42.2415 179.4998 144 R 3.5916 8.0177 117.9445 59.3188 29.9771 178.0821 145 Q 3.9107 7.9984 118.8297 59.2876 29.1601 178.1197 146 I 3.4939 7.7917 120.7742 64.4182 37.0328 178.4977 147 L 3.9744 7.6881 119.7268 57.6144 41.0061 179.3872 148 H 3.9092 7.7818 115.7148 59.0287 28.7582 177.7124 149 T 3.9333 8.3633 117.1975 66.7980 68.4466 176.8685 150 R 3.6523 8.0896 117.9906 56.0089 30.7011 176.2904 151 A 3.7588 7.6604 120.7086 52.7060 16.5615 177.7010 152 F 4.5443 7.7987 118.6398 57.9764 39.9362 175.9272 153 D 4.5245 9.0053 124.8187 54.5004 41.2273 176.9131 154 K 2.4800 8.0939 121.9280 56.0215 32.5734 176.7833 155 L 4.3888 7.1227 121.5349 54.2706 43.6449 175.5549 156 N 5.0167 8.4997 117.5249 51.4564 40.4303 175.2395 157 K 4.3509 8.8372 123.2308 55.7898 33.2494 176.9335 158 W 4.2915 8.7784 131.9120 57.9037 30.5827 175.8234 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 T 8.03 4.16 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 0.62 0.00 0.00 2 V 7.96 3.87 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 0.31 0.00 0.00 0.78 0.00 0.00 3 A 9.42 4.83 1.11 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 4 Y 8.99 5.05 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 9.10 5.08 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.85 0.96 0.00 0.00 6 A 9.27 4.92 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 7 I 8.91 4.79 1.83 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 1.17 0.73 0.82 0.00 0.00 8 G 9.16 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 9 S 9.05 5.06 0.00 3.72 3.44 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 10 N 8.37 4.15 0.00 2.22 1.70 0.00 0.00 6.16 7.79 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 11 L 7.36 4.13 0.00 1.59 1.59 0.91 0.73 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 12 A 8.60 4.20 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 13 S 7.72 4.91 0.00 3.85 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 14 P 0.00 4.54 0.00 1.93 2.25 0.00 3.90 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.85 0.00 15 L 7.62 3.61 0.00 1.71 1.76 1.18 0.98 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 16 E 8.02 3.93 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 17 Q 7.98 3.86 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 18 V 7.51 3.45 1.64 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 0.30 0.00 0.00 0.63 0.00 0.00 19 N 8.40 4.33 0.00 2.96 2.86 0.00 0.00 6.85 7.85 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 20 A 8.45 3.97 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 21 A 8.10 3.95 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 22 L 8.15 3.95 0.00 1.91 1.77 1.13 0.59 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 23 K 8.00 3.89 0.00 1.74 2.01 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 24 A 8.00 4.14 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 25 L 8.35 4.05 0.00 1.88 1.75 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.05 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 27 D 7.62 4.78 0.00 2.82 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 28 I 7.17 3.80 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.71 0.00 0.00 29 P 0.00 4.29 0.00 2.17 2.07 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 30 E 8.94 3.87 0.00 2.16 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 2.30 2.26 0.00 31 S 7.59 5.14 0.00 3.92 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 32 H 8.69 4.90 0.00 3.11 3.32 0.00 5.26 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.34 4.34 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.95 0.00 0.00 34 L 9.11 4.44 0.00 1.54 1.68 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.57 4.75 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 1.24 0.00 0.00 36 V 8.24 5.02 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 1.01 0.00 0.00 0.99 0.00 0.00 37 S 9.21 4.63 0.00 4.40 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 38 S 9.32 4.14 0.00 3.43 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 39 F 8.17 5.08 0.00 2.89 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 40 Y 8.93 5.28 0.00 3.03 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 41 R 9.10 5.28 0.00 2.00 1.94 0.00 2.86 0.00 0.00 3.10 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 42 T 9.19 4.88 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 1.50 0.00 0.00 43 P 0.00 5.11 0.00 2.14 2.11 0.00 3.83 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 44 P 0.00 4.75 0.00 2.29 1.73 0.00 3.61 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.46 0.00 *51 P 0.00 4.30 0.00 2.03 2.10 0.00 3.61 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 1.84 2.08 0.00 52 D 8.33 5.06 0.00 2.83 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 53 Y 8.42 4.68 0.00 2.88 2.83 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 54 L 8.46 5.10 0.00 0.92 1.07 -0.58 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 55 N 9.32 5.73 0.00 2.91 2.96 0.00 0.00 6.23 8.27 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 56 A 9.06 5.26 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 57 A 9.54 5.31 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 58 V 8.91 4.88 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 0.98 0.00 0.00 1.00 0.00 0.00 59 A 9.12 4.49 1.17 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 0.00 0.00 60 L 8.70 4.83 0.00 1.62 1.39 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.58 4.40 0.00 1.94 1.52 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 2.17 2.15 0.00 62 T 8.51 5.05 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 1.21 0.00 0.00 63 S 8.64 4.64 0.00 3.92 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 64 L 7.72 4.39 0.00 1.77 1.67 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 65 A 9.18 4.31 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 66 P 0.00 3.40 0.00 1.73 0.97 0.00 3.36 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.29 0.00 67 E 7.87 3.91 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 2.32 2.30 0.00 68 E 8.06 3.95 0.00 2.24 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 2.42 2.37 0.00 69 L 8.03 4.01 0.00 1.92 1.93 0.98 0.67 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 70 L 8.06 4.08 0.00 1.78 1.82 0.95 0.48 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 71 N 8.30 4.29 0.00 2.93 2.82 0.00 0.00 7.04 7.67 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 72 H 8.33 4.13 0.00 3.36 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.44 3.93 4.28 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 1.32 0.00 0.00 74 Q 8.47 4.04 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 75 R 8.28 3.88 0.00 1.83 2.07 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 76 I 7.94 3.71 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.69 0.92 0.00 0.00 77 E 8.47 3.97 0.00 2.18 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 2.49 2.55 0.00 78 L 7.63 4.02 0.00 1.84 1.72 0.92 0.96 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 79 Q 8.26 4.16 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 80 Q 8.29 4.40 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 81 G 7.72 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 82 R 9.27 4.02 0.00 1.94 1.96 0.00 3.35 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 83 G 8.37 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *90 G 7.76 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 91 P 0.00 4.41 0.00 2.20 2.14 0.00 3.60 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 2.12 2.12 0.00 92 R 8.05 3.78 0.00 1.94 1.99 0.00 3.20 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 93 T 7.76 4.34 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 1.17 0.00 0.00 94 L 7.49 4.73 0.00 1.71 1.51 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 95 D 9.30 5.03 0.00 2.84 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 96 L 9.65 5.08 0.00 1.51 1.63 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.98 5.04 0.00 2.60 2.63 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 98 I 8.49 4.40 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 1.08 0.00 0.00 99 M 9.49 4.42 0.00 2.03 2.35 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 2.68 2.54 0.00 100 L 7.97 5.17 0.00 1.78 1.58 0.62 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.76 4.65 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.22 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 0.00 103 N 8.56 4.83 0.00 2.83 2.80 0.00 0.00 6.94 7.65 0.00 0.00 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 E 8.64 4.41 0.00 2.30 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 2.50 2.71 0.00 105 V 8.29 4.61 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 0.84 0.00 0.00 0.99 0.00 0.00 106 I 8.93 4.57 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.88 0.00 0.00 107 N 8.82 5.38 0.00 2.54 2.69 0.00 0.00 6.92 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 0.00 108 T 9.19 4.63 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 109 E 8.80 3.93 0.00 1.94 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 0.00 2.30 2.39 0.00 110 R 7.79 4.26 0.00 1.77 1.96 0.00 3.18 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 111 L 7.74 4.59 0.00 1.69 1.43 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.72 5.05 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 1.34 0.00 0.00 113 V 8.94 4.55 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 1.22 0.00 0.00 0.99 0.00 0.00 114 P 0.00 5.52 0.00 2.14 2.28 0.00 3.92 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 115 H 9.23 4.31 0.00 3.51 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 9.04 4.12 0.00 3.14 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 6.94 4.47 0.00 1.58 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 0.00 0.00 0.00 118 M 7.81 3.90 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.78 0.00 119 K 7.83 4.09 0.00 1.62 1.76 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.00 1.17 7.81 120 N 7.96 4.85 0.00 2.87 2.78 0.00 0.00 6.73 7.19 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 0.00 121 R 7.41 3.77 0.00 1.02 0.66 0.00 2.84 0.00 0.00 2.82 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.26 0.00 122 G 7.53 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 0.00 0.00 0.00 123 F 7.25 4.36 0.00 3.20 3.15 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 0.00 124 M 7.18 4.35 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 125 L 7.79 3.94 0.00 1.36 1.46 0.95 1.09 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 0.00 126 W 8.32 4.07 0.00 3.32 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 0.00 127 P 0.00 4.55 0.00 2.34 2.48 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.22 0.00 128 L 7.85 3.96 0.00 1.85 1.82 0.41 1.10 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 0.00 129 F 8.35 4.10 0.00 2.87 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 0.00 130 E 8.22 4.10 0.00 2.30 2.38 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 2.42 2.44 0.00 131 I 7.39 4.23 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.86 1.00 0.00 0.00 132 A 7.89 4.64 1.06 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 0.00 133 P 0.00 3.78 0.00 1.93 1.28 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 134 E 7.82 4.47 0.00 1.94 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 2.19 2.19 0.00 135 L 7.68 3.82 0.00 1.55 1.34 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.93 4.76 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 1.02 0.00 0.00 0.94 0.00 0.00 137 F 9.33 4.39 0.00 3.23 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 0.00 138 P 0.00 5.08 0.00 2.13 2.21 0.00 3.98 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 139 D 8.09 4.43 0.00 2.80 2.83 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 0.00 140 G 8.43 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 0.00 141 E 8.99 4.10 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 142 M 8.34 4.96 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 143 L 8.50 4.17 0.00 1.79 1.83 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.02 3.59 0.00 2.11 1.97 0.00 3.29 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 145 Q 8.00 3.91 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 146 I 7.79 3.49 1.81 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.39 0.84 0.00 0.00 147 L 7.69 3.97 0.00 1.18 0.94 -0.49 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 148 H 7.78 3.91 0.00 3.33 3.27 0.00 5.66 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 0.00 149 T 8.36 3.93 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 1.10 0.00 0.00 150 R 8.09 3.65 0.00 0.72 0.66 0.00 3.20 0.00 0.00 3.04 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.00 151 A 7.66 3.76 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 0.00 152 F 7.80 4.54 0.00 3.17 3.20 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 0.00 153 D 9.01 4.52 0.00 2.72 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 0.00 154 K 8.09 2.48 0.00 1.37 1.18 0.00 1.45 0.00 0.00 1.29 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.97 7.81 155 L 7.12 4.39 0.00 1.12 1.65 0.64 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.50 5.02 0.00 2.69 2.75 0.00 0.00 6.81 6.90 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 0.00 157 K 8.84 4.35 0.00 1.64 1.72 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.21 7.81 158 W 8.78 4.29 0.00 3.42 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 * Residues marked with a * may have inaccurate shift predictions.