NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4587 8.2348 114.8088 57.9087 64.5709 172.5453 3 N 4.9032 7.9928 117.7738 52.2874 42.1939 171.7539 4 T 4.6450 9.0170 116.5986 62.6117 71.5728 174.3621 5 L 4.8607 7.9722 118.7892 53.7594 44.1359 176.4079 6 F 4.7009 7.6115 117.8776 57.6449 42.5343 171.9318 7 D 5.0165 7.5168 124.3329 52.5209 44.3361 173.5189 8 D 4.3025 7.6696 122.8695 54.1915 46.1247 174.5742 9 I 5.2379 7.8081 122.2495 59.5585 40.7320 174.9787 10 F 6.0523 9.8836 123.7741 54.8470 43.7908 173.5800 11 Q 5.7190 8.4518 119.8894 53.1371 32.1589 174.0706 12 V 3.9512 8.5886 126.7044 63.3488 31.8897 176.4382 13 S 4.2396 9.3464 125.2218 61.3600 63.3238 174.4767 14 E 4.7432 7.7974 117.0646 55.1502 32.6953 174.4404 15 V 4.5710 8.5522 125.9072 61.2109 33.8046 174.1296 16 D 4.8669 8.8495 126.8924 52.0237 43.9113 172.6661 17 P 5.0383 0.0000 0.0000 60.8823 30.7282 174.9143 18 G 3.6997 7.9886 119.0186 45.2085 0.0000 171.0037 19 R 3.9170 7.9135 120.5026 58.4066 27.8607 177.0011 20 Y 5.2136 7.3776 111.6280 56.8227 38.2625 176.6178 21 N 4.2906 7.7684 118.8061 54.5206 39.2952 176.0003 22 K 4.6732 8.0564 114.4657 55.8397 34.2288 175.8641 23 V 4.8812 8.4694 119.7242 61.8760 34.8847 173.3985 24 C 5.1771 8.9677 123.4469 58.0518 32.9852 172.8116 25 R 4.7156 8.6642 122.6048 55.4374 31.3576 175.1955 26 I 5.0444 9.1382 126.9579 59.6372 41.0882 174.4596 27 E 5.1003 8.6544 122.4621 54.8737 33.3747 174.7473 28 A 5.2653 8.9848 125.0736 50.3185 23.7414 173.7069 29 A 5.1581 8.7896 119.4348 50.3425 22.9929 175.0988 30 S 4.4365 8.2040 113.8175 56.6732 63.4394 175.1657 31 T 4.4926 7.4434 125.2145 62.0455 69.1253 173.6536 32 T 4.3633 7.4616 125.3455 63.7533 76.4400 177.6407 33 Q 4.1588 9.1262 128.4596 56.9715 29.7870 175.8378 34 D 4.8338 8.6547 120.8583 54.9927 40.9734 176.8082 35 Q 4.3907 7.6854 120.0507 57.7556 30.4100 175.6166 36 C 5.1688 8.1476 121.3200 59.7054 31.8165 172.4811 37 K 4.7809 8.5636 125.3136 54.5935 35.2771 175.0790 38 L 4.9727 8.7408 122.9061 53.8712 46.2448 175.5980 39 T 4.8136 8.7173 120.9619 61.9977 72.2927 172.6415 40 L 5.1543 9.3214 129.1372 53.2812 45.6912 175.4866 41 D 5.1087 8.8572 126.0182 54.9467 42.1018 175.9652 42 I 4.4635 8.5594 119.7259 60.2826 42.3795 173.6342 43 N 4.5602 9.7009 126.3734 53.5071 38.7187 175.1730 44 V 4.0471 7.8798 129.2822 63.2706 31.7430 176.7886 45 E 4.5069 8.4417 118.9260 56.1658 31.7820 175.9564 46 L 4.4494 8.5405 117.0306 55.4243 42.6224 177.1075 47 F 4.8932 7.4980 119.6955 55.6528 40.1592 171.7292 48 P 4.3027 0.0000 0.0000 62.4731 32.1203 176.3630 49 V 4.0677 7.8632 118.6124 61.8654 34.2189 173.3116 50 A 4.7185 7.8236 129.5517 49.5147 21.5015 175.6951 51 A 3.8378 8.4861 121.8650 54.0153 18.6198 176.7136 52 Q 3.4241 8.8674 122.6917 56.4658 26.1971 172.5945 53 D 4.8364 8.0207 120.6214 52.9202 46.2677 174.8373 54 S 4.8303 8.4869 115.7041 57.2220 61.7358 173.1130 55 L 4.6949 8.7626 127.7303 55.4238 43.8508 175.9449 56 T 5.0618 8.4639 119.0223 62.1182 70.4286 173.3444 57 V 4.7905 8.8961 127.5218 62.1421 33.1857 174.9755 58 T 5.5565 8.2803 122.4775 61.9565 73.7835 174.7209 59 I 5.1337 8.5652 123.8456 60.1695 39.5841 176.7559 60 A 3.9857 9.4704 134.6330 52.5285 18.5581 178.1830 61 S 4.9956 9.5051 115.0357 53.8625 62.0570 172.6979 62 S 5.2625 7.0189 132.1000 59.2277 62.7239 177.9659 63 L 3.8927 6.5991 135.0000 55.5600 41.1365 177.9601 64 N 4.4730 7.7099 115.9034 54.4680 39.9446 176.7859 65 L 3.5928 7.6620 114.4467 56.1062 39.5670 175.3846 *76 T 4.1292 7.5389 113.5030 63.8408 69.5179 171.3240 77 R 3.7529 8.0194 124.8380 55.1552 30.5451 177.0011 78 S 4.2485 8.6328 115.0914 58.4730 63.3206 173.6044 79 W 4.6565 8.7768 131.6217 56.4610 31.3203 175.9144 80 R 4.1678 7.8469 124.6938 54.1477 31.8964 176.3775 81 P 4.3393 0.0000 0.0000 61.2664 32.3734 175.3573 82 P 4.1538 0.0000 0.0000 64.2683 29.5719 177.1046 83 Q 3.8667 9.7335 121.3042 56.9504 28.1214 175.6840 84 A 4.2520 7.7063 115.4415 52.9733 17.9289 179.0814 85 G 3.7020 8.4109 110.2051 49.2142 0.0000 174.5329 86 D 4.7728 7.9639 115.4267 53.6659 42.1945 175.0298 87 R 4.5277 7.7354 117.9866 54.1394 32.2902 175.9182 88 S 4.2947 8.2467 112.7320 59.9105 63.3354 175.0726 89 L 4.5288 7.8132 118.3107 54.5503 43.7251 175.8555 90 A 4.4508 8.1257 120.9814 52.6272 17.9988 177.4402 91 D 5.0225 8.5302 118.0955 55.2709 39.8433 178.5671 92 D 4.7705 8.4808 116.6919 55.7250 40.1693 175.6366 93 Y 4.8749 9.0850 119.6184 56.9093 40.9679 174.6944 94 D 5.0290 8.9868 119.1313 54.8798 43.2155 175.9672 95 Y 4.5111 7.5481 120.8747 56.5263 41.9341 173.3954 96 V 5.1677 8.5673 126.4111 60.7239 34.3732 174.3467 97 M 4.6916 8.1347 127.7780 54.3563 35.5325 174.2083 98 Y 5.1443 8.4217 119.3408 57.6228 41.2679 173.6815 99 G 3.6529 8.7820 115.8278 45.7491 0.0000 171.1305 100 T 5.0798 9.0339 116.5590 60.5139 73.1875 172.7996 101 A 4.4913 8.3823 124.0322 49.7032 20.5044 175.6722 102 Y 4.4219 8.6222 120.5209 58.2036 39.5752 175.6849 103 K 4.7058 7.1114 121.4231 53.9593 35.8756 174.3988 104 F 5.1934 8.8229 124.0584 55.5767 38.7068 174.4034 105 E 4.2115 9.0352 123.4239 56.0344 31.4287 175.2469 106 E 4.8967 8.6221 124.9380 54.0273 29.7397 176.8432 107 V 3.8010 8.2328 129.6103 62.8088 30.0929 175.3783 108 S 3.5254 8.2994 119.2024 58.2522 64.8693 174.1485 109 K 3.5529 8.1313 118.8690 58.1872 31.1103 177.5195 110 D 4.8868 8.5513 118.8075 53.6683 38.9232 177.4989 111 L 5.1126 8.0073 118.9119 52.8978 45.2164 177.3138 112 I 4.9333 8.3154 124.8721 59.3300 40.0161 174.7414 113 A 5.1463 8.7278 127.8152 49.1650 22.2647 175.1283 114 V 4.4735 7.9072 113.9347 59.6287 34.8937 174.3896 115 Y 4.9696 8.2748 121.3911 56.9646 40.3965 174.3646 116 Y 4.7312 9.0614 119.0126 56.4926 42.9926 174.6203 117 S 4.8111 9.1901 116.1037 57.3410 66.1984 173.2345 118 F 4.5405 9.5527 128.0595 56.0982 38.2676 176.0680 119 G 3.8837 8.8745 116.4995 46.5383 0.0000 171.0494 120 G 3.8621 7.1651 104.6465 44.8405 0.0000 173.8578 121 L 4.6980 8.1198 120.8704 53.1319 43.6224 176.7524 122 L 5.0294 9.8179 125.8882 54.7788 43.9838 175.3878 123 M 5.2277 8.8069 117.2232 55.1415 36.3588 173.2782 124 R 4.7118 9.1749 123.9892 54.5002 34.1416 173.4409 125 L 5.1523 8.3178 127.3258 53.1961 45.7554 174.5860 126 E 4.7880 8.7605 124.8835 53.0359 33.5382 173.8209 127 G 4.2099 7.7873 117.7802 45.8958 0.0000 173.6749 128 N 4.9565 8.0474 132.3124 53.6740 40.2373 173.2683 129 Y 4.7729 6.9322 113.4367 57.5122 38.7015 176.0203 130 R 4.7342 7.3726 119.5574 56.3381 30.6563 178.2795 131 N 4.4220 8.4300 117.0758 55.8727 38.9392 176.5524 132 L 4.8013 7.9714 114.4646 54.4985 42.6108 175.7595 133 N 4.7642 8.0811 114.3414 54.9914 40.4451 175.4635 134 N 4.5903 7.8431 121.7303 52.7494 37.6173 174.6571 135 L 4.3720 8.3150 125.8407 54.7790 42.2166 177.0273 136 K 4.7334 8.3328 115.7433 56.5532 33.4967 176.4249 137 Q 4.3128 7.8873 118.0693 55.1581 29.5697 175.9109 138 E 4.0098 8.8038 118.8788 59.5052 29.9199 175.8838 139 N 4.3564 7.7385 113.3324 52.7636 39.0653 174.9444 140 A 5.4581 8.1280 128.1544 52.6181 20.4199 174.3604 141 Y 4.5790 8.5446 119.9096 57.3946 39.8151 174.7124 142 L 5.1066 8.7313 124.5956 53.4413 45.1961 175.0541 143 L 5.4550 7.8957 121.4225 52.3026 46.5720 175.4480 144 I 5.6205 8.1567 120.1829 59.8384 41.5333 174.1502 145 R 4.8906 8.3367 120.8433 55.5929 33.3516 175.3867 146 R 4.3193 8.5414 118.4289 56.9404 30.5503 176.2486 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 S 8.23 4.46 0.00 3.99 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 3 N 7.99 4.90 0.00 2.78 2.78 0.00 0.00 7.00 6.65 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 4 T 9.02 4.65 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 1.26 0.00 0.00 5 L 7.97 4.86 0.00 1.75 1.74 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.61 4.70 0.00 3.11 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 7 D 7.52 5.02 0.00 2.56 2.30 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 8 D 7.67 4.30 0.00 2.40 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 0.00 0.00 0.00 9 I 7.81 5.24 1.81 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 1.26 1.08 1.02 0.00 0.00 10 F 9.88 6.05 0.00 2.91 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 11 Q 8.45 5.72 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 12 V 8.59 3.95 2.21 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 1.08 0.00 0.00 0.98 0.00 0.00 13 S 9.35 4.24 0.00 3.89 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 14 E 7.80 4.74 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 15 V 8.55 4.57 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 0.85 0.00 0.00 1.02 0.00 0.00 16 D 8.85 4.87 0.00 2.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 5.04 0.00 2.11 2.06 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 18 G 7.99 3.70 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 0.00 0.00 0.00 19 R 7.91 3.92 0.00 1.82 2.08 0.00 3.07 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 20 Y 7.38 5.21 0.00 2.99 2.85 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 21 N 7.77 4.29 0.00 2.75 2.91 0.00 0.00 7.03 7.61 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 22 K 8.06 4.67 0.00 1.63 1.74 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.38 7.81 23 V 8.47 4.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.90 0.00 0.00 24 C 8.97 5.18 0.00 2.96 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 25 R 8.66 4.72 0.00 2.14 1.84 0.00 3.08 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 26 I 9.14 5.04 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.92 0.00 0.00 27 E 8.65 5.10 0.00 1.91 1.81 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 2.22 2.25 0.00 28 A 8.98 5.27 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 29 A 8.79 5.16 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 30 S 8.20 4.44 0.00 3.63 3.87 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 31 T 7.44 4.49 4.16 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 0.00 0.00 1.18 0.00 0.00 32 T 7.46 4.36 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 1.11 0.00 0.00 33 Q 9.13 4.16 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.12 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 34 D 8.65 4.83 0.00 2.68 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 35 Q 7.69 4.39 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 36 C 8.15 5.17 0.00 3.18 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 37 K 8.56 4.78 0.00 1.74 1.70 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.66 7.81 38 L 8.74 4.97 0.00 1.44 1.21 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.72 4.81 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 40 L 9.32 5.15 0.00 1.57 1.33 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.86 5.11 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.56 4.46 1.98 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 0.87 0.62 1.33 0.00 0.00 43 N 9.70 4.56 0.00 2.79 2.65 0.00 0.00 6.56 7.81 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 44 V 7.88 4.05 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 0.77 0.00 0.00 1.08 0.00 0.00 45 E 8.44 4.51 0.00 1.90 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 2.15 2.27 0.00 46 L 8.54 4.45 0.00 1.44 1.61 0.79 0.62 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 47 F 7.50 4.89 0.00 2.70 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 48 P 0.00 4.30 0.00 1.93 1.90 0.00 3.60 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 49 V 7.86 4.07 2.06 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 0.73 0.00 0.00 0.77 0.00 0.00 50 A 7.82 4.72 1.16 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 0.00 0.00 0.00 0.00 0.00 51 A 8.49 3.84 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 52 Q 8.87 3.42 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 53 D 8.02 4.84 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.83 0.00 3.90 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 55 L 8.76 4.69 0.00 1.82 1.74 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.46 5.06 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 1.33 0.00 0.00 57 V 8.90 4.79 2.49 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 0.95 0.00 0.00 0.68 0.00 0.00 58 T 8.28 5.56 4.07 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 0.00 0.00 1.32 0.00 0.00 59 I 8.57 5.13 1.96 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.53 0.94 0.00 0.00 60 A 9.47 3.99 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.51 5.00 0.00 4.07 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 62 S 7.02 5.26 0.00 4.04 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 63 L 6.60 3.89 0.00 1.35 1.57 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.71 4.47 0.00 2.64 2.78 0.00 0.00 7.26 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 65 L 7.66 3.59 0.00 1.79 1.81 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.54 4.13 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 1.31 0.00 0.00 77 R 8.02 3.75 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 78 S 8.63 4.25 0.00 4.07 3.99 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 79 W 8.78 4.66 0.00 3.33 3.23 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 80 R 7.85 4.17 0.00 1.58 1.57 0.00 3.19 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 81 P 0.00 4.34 0.00 1.85 1.26 0.00 3.38 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 82 P 0.00 4.15 0.00 2.15 1.68 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 83 Q 9.73 3.87 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.15 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 84 A 7.71 4.25 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.41 3.70 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 0.00 0.00 0.00 86 D 7.96 4.77 0.00 2.59 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 87 R 7.74 4.53 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 88 S 8.25 4.29 0.00 4.02 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 89 L 7.81 4.53 0.00 1.70 1.94 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.13 4.45 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 91 D 8.53 5.02 0.00 2.87 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 92 D 8.48 4.77 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 9.08 4.87 0.00 2.64 3.09 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 94 D 8.99 5.03 0.00 2.53 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 95 Y 7.55 4.51 0.00 2.02 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 0.00 0.00 0.00 96 V 8.57 5.17 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 0.90 0.00 0.00 0.95 0.00 0.00 97 M 8.13 4.69 0.00 1.44 0.95 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.65 0.00 98 Y 8.42 5.14 0.00 2.32 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 99 G 8.78 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 0.00 0.00 0.00 100 T 9.03 5.08 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 1.13 0.00 0.00 101 A 8.38 4.49 0.22 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 0.00 0.00 0.00 102 Y 8.62 4.42 0.00 3.05 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 0.00 103 K 7.11 4.71 0.00 1.74 1.47 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.47 7.81 104 F 8.82 5.19 0.00 2.82 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 0.00 105 E 9.04 4.21 0.00 2.30 2.06 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 2.36 2.36 0.00 106 E 8.62 4.90 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 107 V 8.23 3.80 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 0.77 0.00 0.00 0.94 0.00 0.00 108 S 8.30 3.53 0.00 4.17 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.13 3.55 0.00 1.88 1.53 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 110 D 8.55 4.89 0.00 2.78 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 0.00 111 L 8.01 5.11 0.00 2.01 1.58 0.98 0.82 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 0.00 112 I 8.32 4.93 1.86 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 1.31 0.97 0.93 0.00 0.00 113 A 8.73 5.15 1.01 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 0.00 0.00 114 V 7.91 4.47 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 -0.44 0.00 0.00 0.71 0.00 0.00 115 Y 8.27 4.97 0.00 1.87 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 9.06 4.73 0.00 2.75 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 0.00 117 S 9.19 4.81 0.00 3.81 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 9.55 4.54 0.00 3.09 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 0.00 119 G 8.87 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 0.00 0.00 0.00 120 G 7.17 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 0.00 0.00 0.00 121 L 8.12 4.70 0.00 1.88 1.76 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.82 5.03 0.00 1.80 1.81 1.03 -0.18 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 0.00 123 M 8.81 5.23 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 124 R 9.17 4.71 0.00 1.61 1.51 0.00 2.92 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.56 0.00 125 L 8.32 5.15 0.00 1.46 1.13 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.76 4.79 0.00 1.88 1.66 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 2.14 2.14 0.00 127 G 7.79 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.05 4.96 0.00 2.79 2.86 0.00 0.00 6.72 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 0.00 129 Y 6.93 4.77 0.00 3.15 3.09 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 0.00 130 R 7.37 4.73 0.00 1.95 2.10 0.00 2.93 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 131 N 8.43 4.42 0.00 2.77 2.93 0.00 0.00 6.99 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 0.00 132 L 7.97 4.80 0.00 1.65 1.68 0.95 0.98 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 0.00 133 N 8.08 4.76 0.00 2.81 3.12 0.00 0.00 7.03 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.84 4.59 0.00 2.72 2.92 0.00 0.00 7.37 9.06 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 0.00 135 L 8.31 4.37 0.00 1.80 1.73 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.33 4.73 0.00 1.54 1.43 0.00 1.50 0.00 0.00 1.18 0.00 0.00 2.54 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.39 1.20 7.81 137 Q 7.89 4.31 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 138 E 8.80 4.01 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 2.49 2.27 0.00 139 N 7.74 4.36 0.00 2.89 2.94 0.00 0.00 6.73 7.35 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 0.00 140 A 8.13 5.46 1.75 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 0.00 0.00 141 Y 8.54 4.58 0.00 2.79 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 0.00 142 L 8.73 5.11 0.00 1.65 1.02 0.84 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.90 5.46 0.00 0.90 0.43 0.84 -0.02 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 0.00 144 I 8.16 5.62 1.46 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.26 0.83 0.00 0.00 145 R 8.34 4.89 0.00 1.81 2.01 0.00 2.83 0.00 0.00 2.72 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 146 R 8.54 4.32 0.00 2.23 2.09 0.00 3.22 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.