NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2932 8.4449 121.4719 56.0201 30.9203 177.1504 3 Q 3.9833 8.0772 116.5599 57.1385 29.1256 174.7635 4 R 4.7383 7.2366 115.5708 53.1571 35.6036 175.6698 5 S 4.3176 8.4489 114.8777 58.2416 64.9333 175.2648 6 A 3.9713 8.5379 125.3629 55.4168 18.1711 179.6339 7 E 3.4878 8.1678 117.2465 59.8240 29.5893 179.0507 8 T 3.8066 8.0048 115.6042 66.7611 68.4902 176.8970 9 R 3.9489 7.9843 119.8747 58.9394 30.0367 179.2318 10 I 3.6699 7.9048 119.9515 64.2963 37.1872 178.3732 11 V 3.5058 7.8538 119.3847 66.1410 31.2951 177.6225 12 E 3.8908 8.3722 118.7170 59.2840 29.4153 178.6902 13 A 4.0219 8.1644 120.8290 54.8578 18.3192 179.3791 14 L 3.9083 8.2986 118.0821 58.0701 41.6997 179.8368 15 L 4.1204 7.7860 118.4523 57.9532 41.4020 179.3024 16 E 3.9502 7.9686 117.7667 59.1167 29.6951 178.2547 17 R 4.1545 8.0759 115.3834 55.7983 30.4292 176.4768 18 R 3.9025 7.7751 116.8763 57.4803 28.0661 177.0135 19 R 4.3819 8.2055 115.2379 56.2800 30.6318 176.6397 20 L 4.5375 7.3295 119.3054 52.5708 45.3507 175.2829 21 K 4.4472 8.4688 125.3010 55.4415 34.7194 177.9012 22 D 4.4277 8.5717 122.9860 56.5054 39.5890 179.0559 23 T 3.8624 7.8130 111.0662 64.9143 68.8812 176.1228 24 D 4.3530 8.0383 121.5167 56.8152 40.6288 178.4423 25 L 3.9497 7.7934 120.3035 58.0208 42.1978 179.0314 26 V 3.7537 7.6536 118.1412 64.8051 31.3110 178.3405 27 R 4.0446 7.7191 117.2950 57.7718 30.2370 177.5170 28 A 3.9239 7.6406 121.1451 52.2171 18.6262 177.2914 29 R 4.4743 8.9413 120.6695 56.7207 32.3680 174.5917 30 Q 2.6927 8.0243 121.0191 56.0322 31.2719 175.9854 *34 E 4.1337 8.3098 117.9523 56.7403 31.4458 179.0343 35 S 4.5943 8.2651 118.3639 60.1382 64.4999 176.9934 36 G 3.9141 8.0519 104.6750 45.1681 0.0000 174.2832 *38 G 3.7695 8.7363 105.4989 43.7581 0.0000 172.7938 39 L 3.9248 8.0884 121.0105 58.1848 42.1889 179.0960 40 L 3.8426 7.7759 118.2237 57.4349 41.6102 178.8002 41 A 4.0002 8.1395 120.4380 55.4140 18.2067 179.3802 42 L 3.8891 7.9527 118.4220 58.2227 42.1149 178.9173 43 L 4.0837 8.1589 119.2930 57.9166 41.6772 179.8657 44 G 3.5497 8.2103 105.5317 47.8120 0.0000 175.7697 45 R 4.0186 7.7903 120.1014 58.6786 30.2176 177.6860 46 L 4.3263 8.2967 116.6285 54.4635 41.6596 177.3633 47 G 3.9008 7.5567 106.4678 46.4116 0.0000 174.7661 48 L 4.3860 8.0640 119.9324 54.5898 42.4878 177.0531 49 V 4.3726 7.4282 117.8745 59.8590 34.1988 175.6987 50 S 4.3542 8.5032 122.0697 58.1817 64.9665 174.8970 51 E 3.9566 8.7324 122.9438 59.7065 29.2233 179.6641 52 R 3.8699 7.9360 118.0476 59.7419 30.2253 178.2375 53 D 4.5105 8.2482 118.5612 57.2442 40.7085 178.0122 54 H 4.1143 8.6830 119.2149 59.2654 29.8434 176.8344 55 A 3.9118 8.1518 122.3713 55.2748 18.2295 178.8629 56 E 3.8890 8.5504 117.9778 60.0932 29.5818 179.4220 57 T 4.0647 7.9674 115.3567 66.7636 68.5477 176.3967 58 C 4.0826 8.3799 118.6279 63.1128 28.2203 176.2923 59 A 4.0567 8.2532 122.0440 55.1041 17.7373 179.5218 60 E 3.9084 8.1399 116.1927 59.7351 29.6728 179.5644 61 V 3.7779 7.9070 116.9663 65.1637 31.7224 177.0851 62 L 4.5522 7.9283 116.1291 53.5498 42.0698 176.8590 63 G 3.9180 7.9093 106.8601 46.4310 0.0000 173.6444 64 L 4.7031 7.7305 118.1684 51.8119 43.8759 174.7723 65 P 4.6017 0.0000 0.0000 62.9845 32.8869 174.7175 66 L 5.2966 8.4281 120.6995 53.2181 43.6861 176.0681 67 V 4.7958 9.1034 123.2685 61.1095 34.5944 174.1129 68 D 5.4046 9.3093 125.4724 50.9593 42.4222 176.6818 69 A 4.0219 8.5180 121.0766 55.0509 18.4851 180.3293 70 R 3.9380 7.8819 114.1979 59.3195 30.1186 177.8393 71 Q 4.1524 7.9732 114.8314 56.4035 29.0746 175.5121 72 L 4.5850 7.1965 119.1596 52.4235 43.4492 177.0432 73 G 4.0200 8.5845 112.6533 45.0918 0.0000 172.7781 74 D 4.7044 8.6433 118.2435 56.3740 41.1055 176.8063 75 T 4.2288 7.3848 106.7958 58.2971 71.9265 171.7309 76 P 2.9700 0.0000 0.0000 61.1902 31.8777 174.9209 77 P 4.2167 0.0000 0.0000 64.0326 31.2139 176.3747 78 E 4.9898 7.5465 118.2540 55.6605 33.0634 177.8669 *82 E 4.3015 7.9963 117.3754 55.2382 30.1484 178.1018 83 V 4.0312 7.9425 113.7201 62.4208 33.9877 170.9623 84 Q 4.4554 8.2241 126.4495 55.4144 30.5906 176.7389 85 G 3.8183 8.8768 108.3525 45.0904 0.0000 173.2000 86 L 4.2109 7.2744 119.5110 52.5519 43.1651 177.0149 87 S 4.4667 8.2705 119.2358 57.3784 65.5610 174.5836 88 L 3.9348 8.3982 124.0238 58.3853 41.6926 179.1287 89 R 3.8710 8.0372 118.0233 59.3989 30.0049 177.7996 90 F 4.1425 8.3272 120.3355 61.5273 39.4191 176.7228 91 L 4.2684 8.2291 118.4283 58.2066 41.2915 179.9524 92 K 3.9090 7.8343 116.5816 59.4304 32.0761 178.9426 93 Q 3.7813 8.0749 119.0527 58.7272 29.0466 177.5648 94 F 4.1420 7.8860 115.9358 56.5730 40.9770 175.0931 95 H 3.9959 8.0293 116.1295 56.0347 26.0767 172.9424 96 L 5.1373 7.2601 117.3994 55.0434 44.5782 176.9227 97 C 4.7791 9.0055 119.3538 57.8756 35.2647 171.3333 98 P 5.0856 0.0000 0.0000 63.1145 31.2669 176.5939 99 V 4.7906 9.5385 116.2004 60.3288 33.6579 175.5089 100 G 4.1447 7.3622 108.8374 46.2425 0.0000 171.4224 101 E 5.2793 8.5559 120.1636 54.4907 32.3612 174.9489 102 R 4.6077 9.1293 125.4886 56.1444 34.4799 174.9448 103 D 4.3877 9.8612 120.9478 55.5372 38.5312 174.7537 104 G 3.9486 8.4250 103.1941 45.7099 0.0000 173.6930 105 R 4.8861 7.8333 118.4291 53.8844 33.9450 174.6782 106 L 4.6683 8.9089 125.5860 54.4153 43.5238 175.4326 107 D 5.1038 9.3589 127.9766 54.1757 42.0730 175.1231 108 L 5.2404 9.0921 126.5274 52.8654 45.0557 174.9550 109 W 5.2772 9.1807 135.0000 57.1739 32.1555 174.7599 110 I 4.8530 9.1713 127.0249 59.4266 40.5486 175.6378 111 A 4.0753 8.4888 130.7065 53.2469 19.1227 177.6884 112 D 4.6501 7.5207 114.6149 51.9241 40.8181 174.6442 113 P 4.4181 0.0000 0.0000 64.1455 32.0789 177.7358 114 Y 4.3247 7.4414 116.3185 58.2082 38.6737 176.1203 115 D 4.6840 7.4288 122.0693 52.9462 40.0914 175.7259 116 D 4.4296 8.3911 126.2920 55.8147 39.5569 177.8288 117 Y 3.8135 8.1736 120.6277 60.5028 38.9227 177.6797 118 A 3.5143 8.2160 121.2860 55.0410 18.4374 179.6826 119 I 3.5964 7.6116 118.2817 64.7370 37.1971 178.4803 120 D 4.2458 8.3152 119.7306 57.0920 40.4517 178.6372 121 A 3.7585 7.8252 121.5721 55.1513 18.2474 179.9269 122 V 3.3209 7.6146 116.6323 65.9614 31.5901 178.4620 123 R 3.8386 8.0391 117.9858 59.1962 29.7006 178.8792 124 L 3.8730 7.7477 118.6466 58.0575 42.1841 178.5289 125 A 4.0248 7.9788 120.3127 54.9017 18.3581 179.0887 126 T 4.3988 7.4811 108.6866 61.0498 69.3532 175.9582 127 G 3.9120 7.7480 107.9235 45.9244 0.0000 172.8832 128 L 4.7680 7.4010 118.1213 51.5088 44.2279 174.6685 129 P 4.4720 0.0000 0.0000 62.9702 32.4934 175.1417 130 L 5.0974 8.4386 122.3822 53.1974 44.1732 175.5210 131 L 4.6445 8.9466 124.0115 53.2980 44.5212 175.2108 132 L 4.9010 8.4959 126.6411 54.4275 43.1114 176.0292 133 H 5.1319 9.2988 120.2551 53.9986 32.5426 172.9242 134 V 4.4812 9.1676 124.4934 62.6698 32.3997 175.0876 135 G 4.3593 8.6400 113.4131 43.9839 0.0000 171.9040 136 L 4.2142 8.3248 121.4021 54.1487 42.6414 177.9121 137 R 3.6693 8.7856 123.7359 60.1149 29.8462 178.9107 138 S 4.1020 8.5577 114.5178 61.1600 62.7649 176.5795 139 E 3.9309 7.8830 121.1968 59.2372 29.1752 179.1024 140 I 2.9355 7.0873 119.7284 64.2571 37.1265 178.0981 141 D 4.3320 8.0015 119.6604 57.5240 40.5459 178.7698 142 D 4.3104 8.1441 119.2470 57.2649 40.8664 178.6145 143 L 3.7033 7.8503 120.8053 57.9941 42.0263 178.8447 144 I 3.8212 7.9537 120.1004 64.6138 36.8917 178.0505 145 E 4.0945 7.9263 118.4864 59.2065 29.5650 178.4103 146 R 4.0821 8.0046 117.9303 59.4310 30.2845 178.3030 147 W 4.3768 8.4725 117.6314 58.1754 29.2180 175.3849 148 Y 5.0074 7.4211 114.5533 56.1397 41.7614 175.4428 149 G 4.4411 8.9844 108.5095 46.4327 0.0000 173.3160 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 2 E 8.44 4.29 0.00 1.95 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 2.20 2.35 0.00 3 Q 8.08 3.98 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 4 R 7.24 4.74 0.00 1.73 1.76 0.00 3.21 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 5 S 8.45 4.32 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 3.97 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 7 E 8.17 3.49 0.00 1.82 1.87 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 2.20 2.03 0.00 8 T 8.00 3.81 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 1.19 0.00 0.00 9 R 7.98 3.95 0.00 2.02 1.97 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 10 I 7.90 3.67 1.84 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 1.41 0.67 0.84 0.00 0.00 11 V 7.85 3.51 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 0.95 0.00 0.00 0.89 0.00 0.00 12 E 8.37 3.89 0.00 2.05 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 0.00 2.29 2.32 0.00 13 A 8.16 4.02 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 14 L 8.30 3.91 0.00 1.82 1.72 0.86 0.50 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 15 L 7.79 4.12 0.00 1.87 1.70 0.90 0.88 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 16 E 7.97 3.95 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 17 R 8.08 4.15 0.00 1.89 1.96 0.00 3.54 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 18 R 7.78 3.90 0.00 1.95 2.00 0.00 3.15 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 19 R 8.21 4.38 0.00 1.86 2.06 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 20 L 7.33 4.54 0.00 1.51 1.46 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.47 4.45 0.00 1.82 1.69 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 22 D 8.57 4.43 0.00 2.85 2.92 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 23 T 7.81 3.86 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 1.20 0.00 0.00 24 D 8.04 4.35 0.00 2.87 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 25 L 7.79 3.95 0.00 1.61 1.83 0.89 0.80 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 26 V 7.65 3.75 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 0.92 0.00 0.00 0.92 0.00 0.00 27 R 7.72 4.04 0.00 1.98 2.02 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 28 A 7.64 3.92 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 29 R 8.94 4.47 0.00 1.76 1.87 0.00 3.39 0.00 0.00 3.45 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 30 Q 8.02 2.69 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.32 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 *34 E 8.31 4.13 0.00 2.04 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 2.13 1.88 0.00 35 S 8.27 4.59 0.00 3.62 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 36 G 8.05 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 0.00 0.00 0.00 *38 G 8.74 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.09 3.92 0.00 1.73 1.74 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.78 3.84 0.00 1.58 1.50 0.11 0.52 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 41 A 8.14 4.00 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 42 L 7.95 3.89 0.00 1.86 1.82 0.90 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 43 L 8.16 4.08 0.00 1.83 1.67 0.86 0.85 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 44 G 8.21 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 45 R 7.79 4.02 0.00 1.92 2.09 0.00 3.24 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 46 L 8.30 4.33 0.00 1.59 1.67 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.56 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 48 L 8.06 4.39 0.00 1.61 1.71 0.90 1.09 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 49 V 7.43 4.37 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 0.85 0.00 0.00 0.90 0.00 0.00 50 S 8.50 4.35 0.00 4.08 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 51 E 8.73 3.96 0.00 2.01 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 52 R 7.94 3.87 0.00 1.88 1.93 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 1.71 1.74 0.00 53 D 8.25 4.51 0.00 2.88 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 54 H 8.68 4.11 0.00 3.21 3.45 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.15 3.91 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 56 E 8.55 3.89 0.00 2.17 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 2.33 2.44 0.00 57 T 7.97 4.06 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 58 C 8.38 4.08 0.00 3.22 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 59 A 8.25 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.91 0.00 2.12 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 2.36 2.50 0.00 61 V 7.91 3.78 2.11 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 0.85 0.00 0.00 0.98 0.00 0.00 62 L 7.93 4.55 0.00 1.83 1.73 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.91 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 0.00 0.00 0.00 64 L 7.73 4.70 0.00 1.68 1.63 0.96 1.14 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 P 0.00 4.60 0.00 2.20 2.22 0.00 3.78 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 2.24 2.04 0.00 66 L 8.43 5.30 0.00 1.58 1.68 0.96 0.87 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 67 V 9.10 4.80 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 0.11 0.00 0.00 0.78 0.00 0.00 68 D 9.31 5.40 0.00 2.96 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 69 A 8.52 4.02 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 70 R 7.88 3.94 0.00 1.94 2.00 0.00 3.16 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 71 Q 7.97 4.15 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 72 L 7.20 4.59 0.00 1.28 1.29 -0.45 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.58 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 74 D 8.64 4.70 0.00 2.72 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.38 4.23 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 1.14 0.00 0.00 76 P 0.00 2.97 0.00 1.65 1.44 0.00 3.16 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.13 0.00 77 P 0.00 4.22 0.00 2.13 2.16 0.00 3.39 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.31 0.00 78 E 7.55 4.99 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 *82 E 8.00 4.30 0.00 2.08 1.55 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 2.16 2.39 0.00 83 V 7.94 4.03 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 0.73 0.00 0.00 0.95 0.00 0.00 84 Q 8.22 4.46 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.31 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 85 G 8.88 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 86 L 7.27 4.21 0.00 1.53 1.53 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.27 4.47 0.00 4.09 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 88 L 8.40 3.93 0.00 1.74 1.73 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.04 3.87 0.00 1.96 2.00 0.00 3.27 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 90 F 8.33 4.14 0.00 3.36 3.31 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 91 L 8.23 4.27 0.00 2.04 1.99 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.83 3.91 0.00 1.84 1.81 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.65 7.81 93 Q 8.07 3.78 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 1.41 1.96 0.00 94 F 7.89 4.14 0.00 2.80 2.88 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 95 H 8.03 4.00 0.00 3.29 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.26 5.14 0.00 1.76 1.63 1.18 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 97 C 9.01 4.78 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 5.09 0.00 2.16 2.09 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 99 V 9.54 4.79 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 0.68 0.00 0.00 0.90 0.00 0.00 100 G 7.36 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 0.00 101 E 8.56 5.28 0.00 1.95 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 2.19 2.34 0.00 102 R 9.13 4.61 0.00 1.85 1.74 0.00 3.33 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 103 D 9.86 4.39 0.00 2.76 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 0.00 104 G 8.43 3.95 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 0.00 0.00 0.00 105 R 7.83 4.89 0.00 1.75 1.80 0.00 3.12 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 106 L 8.91 4.67 0.00 1.74 1.56 1.00 1.26 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 0.00 107 D 9.36 5.10 0.00 2.76 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 0.00 108 L 9.09 5.24 0.00 1.78 1.56 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 109 W 9.18 5.28 0.00 3.49 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 0.00 110 I 9.17 4.85 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.29 1.03 0.00 0.00 111 A 8.49 4.08 1.15 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 0.00 112 D 7.52 4.65 0.00 2.41 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.42 0.00 2.21 2.18 0.00 3.83 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 2.09 1.99 0.00 114 Y 7.44 4.32 0.00 3.14 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 0.00 115 D 7.43 4.68 0.00 2.39 2.55 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 0.00 116 D 8.39 4.43 0.00 2.94 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 0.00 117 Y 8.17 3.81 0.00 3.19 3.29 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 0.00 118 A 8.22 3.51 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 0.00 119 I 7.61 3.60 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 0.88 0.00 0.00 120 D 8.32 4.25 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.83 3.76 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.61 3.32 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 1.07 0.00 0.00 1.06 0.00 0.00 123 R 8.04 3.84 0.00 2.00 1.91 0.00 3.15 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 1.62 1.74 0.00 124 L 7.75 3.87 0.00 1.61 1.71 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.98 4.02 1.15 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 0.00 126 T 7.48 4.40 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 1.15 0.00 0.00 127 G 7.75 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 0.00 0.00 0.00 128 L 7.40 4.77 0.00 1.64 1.56 0.99 0.77 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 0.00 129 P 0.00 4.47 0.00 2.11 2.17 0.00 3.67 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 2.32 1.99 0.00 130 L 8.44 5.10 0.00 1.54 1.63 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.95 4.64 0.00 1.67 1.60 0.91 0.80 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 0.00 132 L 8.50 4.90 0.00 1.57 1.60 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 133 H 9.30 5.13 0.00 3.22 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 9.17 4.48 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 1.06 0.00 0.00 1.03 0.00 0.00 135 G 8.64 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 0.00 0.00 0.00 0.00 136 L 8.32 4.21 0.00 1.70 1.52 0.94 0.80 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 0.00 137 R 8.79 3.67 0.00 1.74 2.16 0.00 3.02 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 138 S 8.56 4.10 0.00 3.91 3.84 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 0.00 139 E 7.88 3.93 0.00 1.96 2.11 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 2.42 2.37 0.00 140 I 7.09 2.94 1.61 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.68 0.00 0.00 141 D 8.00 4.33 0.00 2.79 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 0.00 142 D 8.14 4.31 0.00 2.88 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 0.00 143 L 7.85 3.70 0.00 1.81 1.78 -0.15 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.95 3.82 2.08 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 1.57 0.60 1.10 0.00 0.00 145 E 7.93 4.09 0.00 2.00 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 0.00 2.35 2.40 0.00 146 R 8.00 4.08 0.00 1.89 2.14 0.00 3.37 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 147 W 8.47 4.38 0.00 2.87 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 0.00 0.00 0.00 148 Y 7.42 5.01 0.00 3.09 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 0.00 149 G 8.98 4.44 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 0.00 * Residues marked with a * may have inaccurate shift predictions.