NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6944 8.3049 120.2763 55.0016 33.6078 174.6325 2 K 4.1310 9.3280 124.9646 55.6627 33.4799 174.6077 3 K 4.6844 10.7074 127.4819 55.0078 34.2321 175.1546 4 L 4.9882 8.8460 126.2842 53.0181 44.1270 175.4393 5 L 4.8249 8.8814 125.6980 53.0890 44.7284 174.5990 6 F 5.5200 9.3023 129.1963 56.4176 41.7518 174.2552 7 A 4.7101 8.8689 130.1187 51.0877 17.9994 176.9508 8 I 2.9889 7.2902 115.0315 61.4999 38.6426 175.0220 9 D 4.4538 7.5268 120.4213 53.6329 44.2885 175.1771 10 D 4.8329 8.4287 124.6138 53.3373 40.0392 175.7235 11 T 4.8216 7.2716 112.0888 59.2327 73.9737 174.7366 12 E 4.2025 8.6988 120.8685 59.3670 29.4376 179.4717 13 A 4.0479 7.9777 120.7064 55.3717 18.4347 179.3098 14 C 4.4078 8.3661 115.2574 62.8575 28.2992 176.1515 15 E 3.9032 8.1835 120.1086 59.4327 28.9901 179.5625 16 R 3.9954 8.1175 118.0200 58.9254 30.0279 178.8650 17 A 4.0072 8.4633 120.7569 55.0373 18.4338 179.3858 18 A 4.2239 8.4910 119.5369 55.6488 18.4303 179.6044 19 Q 4.2337 7.9451 117.6202 59.6210 29.0098 177.9823 20 Y 4.0671 8.2910 120.6059 60.6148 38.7969 177.7159 21 I 3.9317 8.2658 121.1124 64.4397 37.2867 178.0092 22 L 4.1463 8.2170 120.8419 58.5658 41.7778 178.7770 23 D 4.3255 8.2762 117.6453 57.3755 40.7645 178.1087 24 M 3.8651 7.7669 117.9413 56.1868 32.6544 176.9771 25 F 4.8987 8.6473 115.1319 56.8122 40.6793 177.1575 26 G 3.7431 8.2788 110.3124 47.7141 0.0000 174.7556 27 K 4.3139 7.8798 116.8221 56.0201 32.7184 175.5324 28 D 4.5559 7.8593 120.1310 53.2765 41.1470 175.9723 29 A 4.1871 8.6746 130.6189 55.0602 19.1243 176.8097 30 D 4.9339 8.0930 116.0034 54.1199 40.9034 176.6379 31 C 5.2501 7.9605 117.6464 58.2860 34.9268 173.1209 32 T 4.8895 9.0886 115.9488 59.7577 72.2387 172.4054 33 L 5.1222 8.5236 123.9373 53.6364 45.4851 174.8676 34 T 5.2081 9.1123 122.9067 61.8407 71.6913 172.9170 35 L 4.8768 9.1953 127.3897 53.6260 43.4296 175.4373 36 I 4.9499 8.3966 124.2342 59.3712 40.9346 173.6069 37 H 4.7332 8.9154 127.9993 54.2318 33.4123 171.7901 38 V 4.6357 7.6134 124.6687 60.7593 33.5411 174.9756 39 K 4.1670 9.0041 128.8026 54.3837 32.7659 175.5070 40 P 4.7584 0.0000 0.0000 62.0290 30.6009 180.0119 *44 L 4.1060 8.4431 131.5000 55.1709 41.0377 174.4991 45 Y 4.5493 8.5455 125.1120 56.1806 41.6954 175.3779 46 G 3.9314 8.4859 113.8682 45.1781 0.0000 173.6328 47 E 3.8404 8.9230 121.4879 59.0620 29.3440 179.2187 48 A 3.9816 7.9328 120.1349 55.2843 18.3126 179.6149 49 V 3.5772 7.6912 114.8419 66.1617 31.6294 177.7184 50 L 4.1124 8.0464 118.5641 57.7630 41.2152 179.3804 51 A 4.0235 8.0027 119.6381 54.6105 18.5760 178.8136 52 A 4.2656 8.0785 120.2141 54.0260 18.6744 179.6118 *53 Y 4.0663 7.4488 120.0004 62.3404 36.9354 184.2809 54 D 4.6000 8.2055 122.6899 57.7479 40.9727 179.2714 55 E 4.0240 8.1376 118.2949 61.2099 29.7321 180.9133 56 I 3.9739 8.2084 123.7377 64.8913 37.1716 179.0876 57 E 4.0048 8.4261 119.3545 61.2039 29.5281 180.7153 58 M 4.2168 8.1645 119.0649 58.4725 32.2848 178.4746 59 K 3.9767 8.2661 118.8302 59.6057 32.1588 179.2307 60 E 4.0520 8.5300 121.3131 59.9604 29.3916 179.8311 61 E 4.0599 8.3468 120.8723 61.7684 29.7919 181.6150 62 E 4.2595 8.4229 121.9891 61.4883 29.7368 181.7893 63 K 4.1684 8.4339 125.2757 59.5020 31.7763 180.7869 64 A 3.8894 8.2845 122.5198 54.8156 18.2624 179.9437 65 K 3.9001 8.0597 116.8891 59.6131 32.1416 179.6528 66 L 3.9792 7.9222 119.1872 57.7200 41.5638 179.4075 67 L 4.0537 8.1593 120.7676 58.3479 41.9827 179.1267 68 T 3.9870 7.8933 109.8448 64.7973 68.7136 176.4351 69 Q 4.0018 8.3677 122.5816 58.6704 29.1825 178.1153 70 K 3.9151 8.3007 120.7371 59.7205 32.3900 178.9168 71 F 4.1097 8.4847 118.0834 60.3345 38.7297 177.7292 72 S 4.3724 8.7896 113.4188 61.8778 62.3431 176.3434 73 T 3.9816 8.3952 120.2087 65.8765 67.9210 176.1910 74 F 3.9640 7.8843 121.3535 61.4690 39.6532 177.0257 75 F 4.3719 8.1933 116.9229 60.8079 38.2994 177.9825 76 T 4.6180 8.4047 111.0182 64.0212 68.3872 175.6481 77 E 4.3353 7.8048 118.6423 56.9626 29.6339 177.0023 78 K 4.4252 7.8748 117.8399 55.9538 33.3069 177.0525 79 G 3.9530 8.7912 105.8360 45.1945 0.0000 173.5508 80 I 4.3766 7.6087 120.4990 59.3864 39.2728 174.4443 81 N 4.6229 8.5340 123.8567 51.0450 37.8036 172.8589 82 P 4.6706 0.0000 0.0000 62.2344 33.0983 175.8003 83 F 4.7033 9.3687 119.4894 56.6577 41.0943 175.0874 84 V 4.9114 8.4423 119.8535 61.1939 34.4948 174.8114 85 V 4.3943 9.1202 127.2503 61.2976 34.2882 173.9904 86 I 4.8395 8.5128 129.1174 59.8484 38.7403 175.3736 87 K 4.7891 8.7956 126.6057 54.4412 35.6783 174.8108 88 E 5.0051 9.3210 117.9092 54.4397 32.1555 176.9035 89 G 3.6593 7.7645 108.2512 45.1487 0.0000 170.6677 90 E 4.3802 8.3539 122.3705 55.1913 30.5391 176.0557 91 P 4.2156 0.0000 0.0000 65.9815 31.5403 178.6667 92 V 3.9029 8.1623 116.0598 66.2331 31.5648 177.6626 93 E 4.0638 8.8286 118.4919 59.8297 29.2216 179.3742 94 M 4.0871 8.2231 118.7382 58.1045 31.9709 178.9541 95 V 3.5769 7.9889 118.4340 66.1004 31.5717 178.0214 96 L 3.8523 7.6929 117.1823 57.6615 41.6642 178.8975 97 E 4.0460 8.3194 119.1815 59.3626 29.7112 178.3699 98 E 3.9897 8.4561 119.3018 59.3752 29.6653 178.5203 99 A 4.1626 8.2363 120.4391 54.8083 18.0851 179.4847 100 K 3.9800 7.7681 116.1348 59.0044 32.0513 177.3833 101 D 4.6708 7.8442 116.5260 53.9427 40.8207 174.9400 102 Y 4.6895 7.8116 116.8695 56.4162 41.3047 174.6650 103 N 4.9305 9.1096 116.9220 54.0053 40.6705 175.7730 104 L 4.7916 7.7541 119.8542 53.4270 46.1743 173.9709 105 L 5.1208 8.8882 128.0842 53.5136 44.3596 174.7617 106 I 5.2117 9.1112 127.6800 59.5304 39.9274 174.7189 107 I 5.0432 8.9312 119.7939 59.0590 41.2108 174.3385 108 G 4.3433 8.8556 111.3295 45.2059 0.0000 172.6386 109 S 4.8972 9.0398 121.3058 56.6277 64.5317 173.2783 110 S 4.5757 8.3806 121.9753 57.7545 65.4070 175.8172 111 E 3.9195 8.8426 117.5392 58.9258 29.3347 178.0013 112 N 4.7294 7.9283 113.3026 52.5557 38.0650 175.1567 113 S 4.4289 7.8056 115.3015 58.2975 62.6213 174.9643 114 F 4.2043 9.8206 122.4157 59.8580 37.6199 177.6437 115 L 3.5364 6.8165 120.4678 56.7351 41.3120 177.5143 116 N 4.7847 7.7072 113.6854 52.5013 39.2205 175.1159 117 K 4.0562 7.4358 118.2881 56.2283 32.7170 178.0299 118 I 3.4818 8.0427 122.3663 64.1017 36.9636 177.1080 119 F 4.9953 7.4422 114.9420 56.9433 39.3245 175.6657 120 A 4.3352 7.8022 125.0852 52.0822 18.4290 178.1813 121 S 4.4697 8.6739 116.6777 58.1145 64.6965 173.7438 122 H 5.1143 8.5260 112.6866 56.0649 25.9466 177.4228 123 Q 4.1198 7.6813 120.3628 58.2727 28.6190 177.2737 124 D 4.7185 8.0596 115.9397 54.1928 40.4934 176.9123 125 D 4.8118 7.7960 117.0421 53.0173 41.1522 176.4443 126 F 3.9856 8.4896 123.9202 62.0957 39.3762 177.7397 127 I 3.8736 8.0136 119.1183 64.3382 37.2021 177.2567 128 Q 4.0862 8.1142 120.1568 58.7819 29.0132 177.0835 129 K 4.0606 8.0819 115.8086 57.4832 32.5439 177.2597 130 A 3.8349 7.3676 123.3528 51.4860 18.5271 176.4037 131 P 4.3301 0.0000 0.0000 63.9522 32.0176 175.4933 132 I 4.7845 6.9413 111.7120 58.4210 41.2876 173.1273 133 P 4.4950 0.0000 0.0000 63.0059 32.5021 175.6212 134 V 4.9698 8.2990 121.3368 61.1142 34.3550 174.1557 135 L 4.6940 9.2595 130.3434 53.5748 43.9461 174.7681 136 I 4.7863 8.4277 127.2155 59.6542 39.1912 174.9807 137 V 4.2169 8.5866 127.5354 60.8001 33.9831 175.9418 138 K 4.6004 8.3756 125.0371 55.7995 32.3101 175.9973 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.69 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 2 K 9.33 4.13 0.00 1.68 1.70 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.58 7.81 3 K 10.71 4.68 0.00 1.71 1.79 0.00 1.43 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.27 1.47 7.81 4 L 8.85 4.99 0.00 1.48 1.41 0.22 0.02 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 5 L 8.88 4.82 0.00 0.74 1.23 0.34 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.30 5.52 0.00 2.94 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 7 A 8.87 4.71 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 8 I 7.29 2.99 0.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.23 -0.31 0.00 0.00 9 D 7.53 4.45 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.83 0.00 2.71 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 11 T 7.27 4.82 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 1.37 0.00 0.00 12 E 8.70 4.20 0.00 2.04 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 2.39 2.38 0.00 13 A 7.98 4.05 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 14 C 8.37 4.41 0.00 3.41 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 15 E 8.18 3.90 0.00 2.18 1.85 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 2.06 2.50 0.00 16 R 8.12 4.00 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 17 A 8.46 4.01 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 18 A 8.49 4.22 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 19 Q 7.95 4.23 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 20 Y 8.29 4.07 0.00 3.25 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 21 I 8.27 3.93 2.30 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 1.02 0.00 0.00 22 L 8.22 4.15 0.00 2.23 2.05 1.10 1.16 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 23 D 8.28 4.33 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.77 3.87 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.52 0.00 25 F 8.65 4.90 0.00 3.13 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 26 G 8.28 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 K 7.88 4.31 0.00 1.74 1.85 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.33 7.81 28 D 7.86 4.56 0.00 2.78 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 29 A 8.67 4.19 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 30 D 8.09 4.93 0.00 2.65 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 31 C 7.96 5.25 0.00 3.12 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 32 T 9.09 4.89 4.59 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 L 8.52 5.12 0.00 1.63 1.39 0.84 -0.34 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 34 T 9.11 5.21 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 1.30 0.00 0.00 35 L 9.20 4.88 0.00 1.56 1.50 1.17 0.75 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 36 I 8.40 4.95 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.59 0.85 0.00 0.00 37 H 8.92 4.73 0.00 3.10 2.98 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.61 4.64 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 0.91 0.00 0.00 0.81 0.00 0.00 39 K 9.00 4.17 0.00 1.70 1.73 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 40 P 0.00 4.76 0.00 2.05 1.44 0.00 3.75 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 *44 L 8.44 4.11 0.00 1.69 1.55 0.92 0.62 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 45 Y 8.55 4.55 0.00 2.82 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 46 G 8.49 3.93 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 0.00 0.00 0.00 47 E 8.92 3.84 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 48 A 7.93 3.98 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 49 V 7.69 3.58 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 50 L 8.05 4.11 0.00 1.88 1.69 0.86 0.76 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 51 A 8.00 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.08 4.27 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 *53 Y 7.45 4.07 0.00 2.33 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 54 D 8.21 4.60 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.14 4.02 0.00 1.97 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 2.31 1.97 0.00 56 I 8.21 3.97 2.01 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 1.40 0.41 0.99 0.00 0.00 57 E 8.43 4.00 0.00 1.97 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 2.24 2.19 0.00 58 M 8.16 4.22 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 59 K 8.27 3.98 0.00 2.14 1.85 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 60 E 8.53 4.05 0.00 2.25 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 2.34 2.39 0.00 61 E 8.35 4.06 0.00 1.99 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 2.24 2.20 0.00 62 E 8.42 4.26 0.00 1.98 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 2.24 2.20 0.00 63 K 8.43 4.17 0.00 1.73 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.33 7.81 64 A 8.28 3.89 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.06 3.90 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 66 L 7.92 3.98 0.00 1.87 1.72 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.16 4.05 0.00 1.80 1.54 1.14 0.91 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 68 T 7.89 3.99 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 1.20 0.00 0.00 69 Q 8.37 4.00 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 70 K 8.30 3.92 0.00 1.93 2.02 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.40 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.10 1.36 7.81 71 F 8.48 4.11 0.00 3.27 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 72 S 8.79 4.37 0.00 4.06 4.09 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 0.00 0.00 0.00 73 T 8.40 3.98 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 1.22 0.00 0.00 74 F 7.88 3.96 0.00 2.79 3.02 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 75 F 8.19 4.37 0.00 3.31 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 76 T 8.40 4.62 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 1.40 0.00 0.00 77 E 7.80 4.34 0.00 1.87 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 2.31 2.47 0.00 78 K 7.87 4.43 0.00 1.49 1.61 0.00 0.80 0.00 0.00 1.32 0.00 0.00 2.47 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 1.05 7.81 79 G 8.79 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 80 I 7.61 4.38 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.29 0.81 0.00 0.00 81 N 8.53 4.62 0.00 2.59 2.64 0.00 0.00 7.17 8.02 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 82 P 0.00 4.67 0.00 2.09 1.93 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 83 F 9.37 4.70 0.00 3.02 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 84 V 8.44 4.91 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 0.81 0.00 0.00 0.99 0.00 0.00 85 V 9.12 4.39 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 0.94 0.00 0.00 1.00 0.00 0.00 86 I 8.51 4.84 1.88 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 1.36 0.76 0.93 0.00 0.00 87 K 8.80 4.79 0.00 1.61 1.69 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.48 7.81 88 E 9.32 5.01 0.00 1.98 1.85 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 2.16 2.29 0.00 89 G 7.76 3.66 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 0.00 0.00 0.00 90 E 8.35 4.38 0.00 2.04 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 2.43 2.38 0.00 91 P 0.00 4.22 0.00 2.42 2.00 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 92 V 8.16 3.90 2.37 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 1.47 0.00 0.00 1.05 0.00 0.00 93 E 8.83 4.06 0.00 2.23 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 2.43 2.52 0.00 94 M 8.22 4.09 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.86 0.00 95 V 7.99 3.58 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.06 0.00 0.00 96 L 7.69 3.85 0.00 1.74 1.56 0.53 0.01 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 97 E 8.32 4.05 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 98 E 8.46 3.99 0.00 2.21 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 2.25 2.43 0.00 99 A 8.24 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.77 3.98 0.00 1.87 1.90 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 101 D 7.84 4.67 0.00 2.52 2.36 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 0.00 102 Y 7.81 4.69 0.00 2.92 3.03 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 0.00 0.00 0.00 103 N 9.11 4.93 0.00 2.62 2.85 0.00 0.00 6.72 7.62 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 0.00 104 L 7.75 4.79 0.00 1.71 1.37 1.04 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.89 5.12 0.00 1.84 1.70 0.99 1.00 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 0.00 106 I 9.11 5.21 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.42 0.84 0.00 0.00 107 I 8.93 5.04 1.78 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.90 1.00 0.00 0.00 108 G 8.86 4.34 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 0.00 109 S 9.04 4.90 0.00 3.74 3.65 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 0.00 0.00 0.00 0.00 110 S 8.38 4.58 0.00 3.98 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 0.00 111 E 8.84 3.92 0.00 2.01 1.92 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 2.23 1.88 0.00 112 N 7.93 4.73 0.00 2.82 2.93 0.00 0.00 5.95 7.64 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 0.00 113 S 7.81 4.43 0.00 3.81 3.73 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 0.00 114 F 9.82 4.20 0.00 3.24 3.27 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 0.00 115 L 6.82 3.54 0.00 1.19 1.30 0.32 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 116 N 7.71 4.78 0.00 2.57 2.71 0.00 0.00 7.03 8.39 0.00 0.00 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 K 7.44 4.06 0.00 1.80 1.65 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.60 7.81 118 I 8.04 3.48 0.70 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.16 0.71 0.00 0.00 119 F 7.44 5.00 0.00 3.05 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.80 4.34 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.67 4.47 0.00 3.87 4.03 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 0.00 0.00 0.00 122 H 8.53 5.11 0.00 3.54 3.55 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.68 4.12 0.00 1.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 124 D 8.06 4.72 0.00 2.80 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 0.00 125 D 7.80 4.81 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 0.00 126 F 8.49 3.99 0.00 3.36 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 0.00 127 I 8.01 3.87 1.95 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 1.48 0.88 0.96 0.00 0.00 128 Q 8.11 4.09 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 129 K 8.08 4.06 0.00 1.53 1.63 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.62 7.81 130 A 7.37 3.83 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 0.00 131 P 0.00 4.33 0.00 2.18 2.14 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 132 I 6.94 4.78 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 1.02 0.00 0.00 133 P 0.00 4.49 0.00 2.14 2.06 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 134 V 8.30 4.97 2.19 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 0.98 0.00 0.00 1.08 0.00 0.00 135 L 9.26 4.69 0.00 1.87 1.60 1.02 1.21 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 I 8.43 4.79 1.85 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 1.20 0.64 0.85 0.00 0.00 137 V 8.59 4.22 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 0.72 0.00 0.00 0.73 0.00 0.00 138 K 8.38 4.60 0.00 1.71 1.63 0.00 1.84 0.00 0.00 2.36 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.30 7.81 * Residues marked with a * may have inaccurate shift predictions.