NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3878 8.2033 121.9731 55.7184 30.9182 174.1813 3 D 5.4968 7.9311 115.9780 51.3319 45.4655 173.4119 4 L 5.1482 8.4372 122.0744 53.0556 46.2372 174.7760 5 T 4.9367 8.4214 111.5860 60.1522 70.7803 173.7628 6 V 4.4930 8.6440 126.2258 60.7239 34.1574 174.2997 7 K 4.7481 8.6764 127.5755 56.6059 34.5091 175.4053 8 M 4.9927 8.9169 123.6656 53.9291 34.8015 175.0201 9 T 5.0135 8.8031 119.0632 61.4375 72.7482 172.8768 9A D 4.7522 8.7459 125.6956 54.4445 41.6205 177.0963 9B L 4.0300 9.6032 127.5997 57.7689 41.8696 178.9149 10 Q 4.1261 8.4346 117.3993 58.7566 29.0376 177.2082 11 T 4.0525 9.0589 107.0679 61.9289 69.3797 176.0821 12 G 3.9113 8.3143 109.1132 45.1728 0.0000 173.1047 13 K 4.6108 7.4305 119.1042 53.9091 34.5504 174.4542 14 P 4.8278 0.0000 0.0000 63.2167 32.1141 176.7177 15 V 4.1387 9.2531 114.9770 60.5362 33.4509 174.3313 16 G 4.0820 7.6797 106.6975 44.2524 0.0000 172.4119 17 T 5.2646 8.5044 111.1304 60.6010 73.3088 173.1903 18 I 5.0792 8.7067 121.7889 59.5587 41.0633 174.4236 19 E 4.8540 9.3025 128.3835 55.1504 31.5122 174.5401 20 L 5.2088 9.3275 127.5377 52.9311 44.5430 175.6506 21 S 5.5738 8.5587 117.1197 55.5932 66.7929 172.4878 22 Q 4.8797 8.1221 120.3864 54.7925 30.5239 174.2402 23 N 5.0746 9.2189 122.4888 50.6435 40.8225 175.0444 24 K 3.7309 8.5575 118.5822 58.9643 32.2921 176.5478 25 Y 4.6030 11.3700 114.8681 57.4546 39.1047 175.8922 26 G 3.9423 6.8264 107.9370 44.8156 0.0000 171.5869 27 V 4.5853 8.0503 121.5972 61.5348 33.4915 176.3670 28 V 4.8165 8.4372 128.0116 61.5266 33.6341 174.2591 29 F 5.1531 9.6821 127.0577 56.0265 41.3649 174.6891 30 I 4.8013 8.6361 126.2674 58.8840 38.8481 173.5190 31 P 4.9136 0.0000 0.0000 62.4002 33.2881 175.3649 32 E 4.9557 9.2210 120.2623 54.6457 30.2997 173.8706 33 L 5.6035 8.6266 121.6597 52.1146 46.5717 175.2548 34 A 4.6836 8.4783 119.9315 52.2017 22.1788 175.4431 35 D 4.4385 8.8112 115.6057 55.5530 37.9428 174.1183 36 L 4.7126 7.6172 118.3927 52.8325 44.8562 175.3727 37 T 4.6293 8.0393 109.7668 59.5864 69.7958 173.0615 38 P 4.0893 0.0000 0.0000 63.7156 32.1014 174.8830 39 G 3.7305 7.5950 106.8065 44.4389 0.0000 171.7336 40 M 5.0528 8.4125 119.0640 54.1568 34.0233 175.6051 41 H 5.1138 8.8866 119.5295 53.4855 33.1153 173.3611 42 G 4.0479 8.9282 110.0341 46.5365 0.0000 172.2181 43 F 5.5263 8.4874 125.2028 56.7988 42.6899 172.9977 44 H 5.0093 8.6922 121.1339 54.6048 34.0723 172.3161 45 I 4.5042 8.4366 121.6670 60.9682 38.1792 175.4393 46 H 5.1218 9.0936 124.3591 54.3026 31.1712 176.0555 47 Q 4.1148 8.9633 121.6799 59.5312 29.0443 176.3322 48 N 4.7784 8.5719 115.4578 51.2222 40.0140 176.0217 49 G 4.1281 8.1542 110.9242 45.0368 0.0000 173.4670 50 S 4.6252 7.4755 110.6612 57.2149 65.7017 173.7713 51 C 4.8266 8.6607 121.0145 56.5235 37.5068 173.6981 52 A 4.3043 7.7685 123.1021 51.5912 19.5641 177.5721 53 S 4.9743 8.4581 115.5257 58.4610 65.1555 173.2683 53A S 4.8101 8.2182 114.1114 57.1024 66.7523 171.9012 53B E 5.1337 8.6536 118.9910 54.5946 32.7927 175.6425 53C K 4.2638 8.7537 126.8077 55.7415 34.1790 175.7425 53D D 4.5383 9.7199 128.7360 55.5224 38.0522 175.2797 53E G 3.9678 10.4035 106.6399 45.2517 0.0000 173.8322 53F K 4.6110 7.6732 118.8106 54.2669 34.8272 175.1684 53G V 4.1963 8.0836 120.8080 62.5954 32.6689 176.0461 53H V 4.2569 8.4684 128.0666 60.4784 32.2211 173.7833 54 L 4.0881 7.8744 125.9418 55.1136 42.1585 177.8025 55 G 3.8944 9.2443 110.2427 45.5579 0.0000 175.3238 56 G 4.2763 8.8299 109.5187 47.5656 0.0000 175.9644 57 A 4.0168 8.3876 122.1350 54.6721 18.6286 178.2735 58 A 4.1415 8.0505 118.1559 52.6957 18.9847 178.9218 59 G 3.7486 7.7343 104.0450 45.0023 0.0000 172.3599 60 G 3.9749 8.1571 108.5625 44.5591 0.0000 172.6041 61 H 4.3969 8.1756 115.8777 55.3553 29.3301 174.9548 62 Y 4.2322 8.9933 124.7838 58.2899 39.6956 176.3991 63 D 4.5038 8.0446 126.3956 52.1704 41.4643 173.9553 64 P 4.1188 0.0000 0.0000 64.8655 31.7141 177.3831 65 E 4.3187 7.7533 116.6691 55.4727 30.4665 175.4407 66 H 4.1237 7.7175 115.8720 57.1501 26.4215 174.7215 67 T 3.9868 9.1236 111.6129 62.4259 69.8099 176.7181 68 N 4.4349 9.0225 117.9906 53.7628 38.0878 173.3539 68A K 4.6125 7.3441 114.7961 54.2831 35.9564 174.5334 69 H 5.0755 8.7920 121.2495 54.5180 32.0314 174.4289 70 G 3.4938 8.6647 117.6335 46.0590 0.0000 172.4394 71 F 3.9060 8.0001 122.0693 55.3706 40.2382 175.0238 72 P 4.3877 0.0000 0.0000 63.8436 31.3308 177.3407 73 W 4.9004 6.8324 114.1241 55.8026 28.5726 174.8085 74 T 4.7444 7.2599 107.7632 60.4664 70.2972 174.0380 75 D 4.5124 8.6592 123.4712 56.6391 41.6721 176.2819 76 D 4.6824 7.8133 118.4375 53.4192 41.2169 174.1481 77 N 5.0083 7.4816 113.6061 51.3064 40.6439 173.2795 78 H 4.0401 8.4092 115.2096 56.3251 29.0994 176.9865 79 K 3.8693 8.5633 124.5912 59.0769 32.3707 177.1575 80 G 4.1943 8.3818 105.9354 46.2949 0.0000 173.0465 81 D 4.9146 7.7939 121.5592 53.6800 41.0346 176.1317 82 L 4.7200 7.7555 122.2845 51.8453 44.5851 174.9939 83 P 4.4819 0.0000 0.0000 62.3213 31.9450 176.6183 84 A 4.3846 8.4955 122.8029 52.1289 19.5393 176.7631 85 L 4.2762 8.4964 123.4157 53.8046 43.3123 175.4076 86 F 5.0254 8.8619 129.4866 57.7343 40.5419 174.5096 87 V 4.1727 9.2679 125.4763 60.6979 33.8987 175.6098 88 S 4.2649 8.8341 123.9825 57.7922 63.5112 174.8912 89 A 3.8344 8.6514 124.8679 55.6658 17.0223 178.4382 90 N 4.5383 8.1472 110.5798 52.9829 37.8684 176.4398 91 G 3.9679 8.9074 108.0207 45.4568 0.0000 173.0649 92 L 4.7938 7.1620 119.9734 52.7762 43.5622 175.5517 93 A 5.0049 8.4606 125.3204 50.8767 20.2493 176.6258 94 T 4.9600 8.3507 109.1596 60.3592 70.4555 173.1592 95 N 4.6742 8.2146 121.7422 52.1338 39.2650 172.7285 96 P 4.9498 0.0000 0.0000 63.0678 32.6224 175.9873 97 V 4.7590 9.0539 113.7493 59.7271 36.2325 174.0350 98 L 5.3340 8.8075 124.2043 53.5212 44.4469 175.8238 99 A 4.8596 9.2246 127.8115 49.3841 20.1895 174.9113 100 P 5.0700 0.0000 0.0000 65.9333 31.7091 178.0972 101 R 4.2933 8.0588 115.4734 56.5261 30.4405 175.7697 102 L 4.9899 7.7097 117.8183 53.1122 44.3331 175.4393 103 T 4.5238 8.1982 109.0415 59.9840 71.4487 174.4993 98 L 5.3340 8.8075 124.2043 53.5212 44.4469 175.8238 99 K 4.8596 9.2746 124.4115 53.0841 34.1895 173.7113 100 E 5.0000 8.7771 119.6707 59.2333 29.5091 177.3972 101 L 4.2933 7.9888 116.7734 55.6261 41.9405 177.0697 102 K 4.9699 7.8397 116.4183 54.2122 35.0331 174.4393 103 G 4.1338 8.3782 104.2414 43.2840 0.0000 174.6993 113 H 4.8538 7.5202 116.7101 54.3931 31.8601 173.2564 114 A 5.1443 8.2539 119.4269 50.5466 22.2297 175.3459 115 I 4.6684 9.0921 122.7757 60.0821 39.4908 174.4966 116 M 5.0913 8.9717 126.5519 53.7662 35.2929 174.1767 117 I 5.0014 8.7993 126.2039 60.0398 40.0544 175.0701 118 H 5.0609 9.0094 124.1366 54.3955 30.4377 175.4650 119 A 4.1503 8.9176 122.0678 55.3676 18.9012 178.6777 120 G 3.8697 8.1750 102.6907 45.2628 0.0000 172.6034 121 G 4.3496 8.1875 108.7036 44.7620 0.0000 172.5850 122 D 4.5451 8.3078 121.8611 53.1231 42.6820 175.4924 123 N 4.5875 8.8653 124.1264 52.3709 37.7633 174.9208 124 H 4.0404 8.5707 116.1112 56.2169 26.7083 173.7889 125 S 4.2016 7.2840 110.4335 57.8632 65.1811 174.1890 *130 D 4.7391 8.4505 122.2026 53.8399 42.3663 175.5303 131 M 4.8589 7.9648 118.9568 52.8708 34.8774 173.9440 132 P 4.5408 0.0000 0.0000 63.0785 32.2490 175.7592 133 K 4.4858 7.5410 119.6102 54.0536 34.9810 175.3349 134 A 4.1913 8.4617 127.8052 52.8693 18.7841 176.6404 135 L 3.4139 9.5066 116.1462 55.7365 40.1313 176.8850 136 G 4.3063 8.5300 104.0148 45.5659 0.0000 175.6425 137 G 3.8633 8.4709 107.2365 45.9270 0.0000 176.5431 138 G 3.5085 7.7066 111.6880 46.0664 0.0000 175.5649 139 G 3.8062 7.8751 107.5514 45.8603 0.0000 174.5197 140 A 4.2301 8.4739 125.8894 52.3184 19.6489 176.0407 141 R 4.4698 8.3768 118.1220 55.1785 30.9604 176.9021 142 V 4.5332 9.2402 115.6878 61.4492 35.0937 175.5290 143 A 5.0327 7.7398 120.7420 50.3558 22.6884 175.5671 144 C 5.3744 9.3685 120.7129 55.3831 46.2949 172.9598 145 G 4.5881 8.4939 107.7692 46.0724 0.0000 172.2733 146 V 4.4907 8.3671 123.8641 61.7629 32.7241 175.3534 147 I 4.1212 8.8067 130.0699 60.7328 37.4813 176.2127 148 Q 4.1897 8.5498 125.4710 55.9252 28.8555 175.8290 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 Q 8.20 4.39 0.00 2.14 2.10 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 2.30 2.39 0.00 3 D 7.93 5.50 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.44 5.15 0.00 1.53 1.50 0.89 0.63 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 5 T 8.42 4.94 4.25 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 1.22 0.00 0.00 6 V 8.64 4.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.97 0.00 0.00 7 K 8.68 4.75 0.00 1.88 1.93 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.47 7.81 8 M 8.92 4.99 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.83 0.00 9 T 8.80 5.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 9A D 8.75 4.75 0.00 2.72 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 9B L 9.60 4.03 0.00 1.40 1.69 0.94 0.91 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 10 Q 8.43 4.13 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 11 T 9.06 4.05 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 12 G 8.31 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 13 K 7.43 4.61 0.00 1.66 1.71 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.39 7.81 14 P 0.00 4.83 0.00 1.93 1.98 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 15 V 9.25 4.14 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 0.92 0.00 0.00 0.93 0.00 0.00 16 G 7.68 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.50 5.26 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 1.22 0.00 0.00 18 I 8.71 5.08 2.04 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 1.24 0.77 1.21 0.00 0.00 19 E 9.30 4.85 0.00 2.05 1.83 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 2.25 2.28 0.00 20 L 9.33 5.21 0.00 1.65 1.35 0.99 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.56 5.57 0.00 3.82 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 22 Q 8.12 4.88 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 23 N 9.22 5.07 0.00 2.89 2.89 0.00 0.00 6.41 6.70 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 24 K 8.56 3.73 0.00 1.47 1.49 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 1.01 7.81 25 Y 11.37 4.60 0.00 3.25 2.97 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 0.00 0.00 0.00 26 G 6.83 3.94 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 0.00 0.00 0.00 27 V 8.05 4.59 2.02 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 0.41 0.00 0.00 0.93 0.00 0.00 28 V 8.44 4.82 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 1.04 0.00 0.00 1.01 0.00 0.00 29 F 9.68 5.15 0.00 3.21 3.21 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 30 I 8.64 4.80 2.07 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 1.34 0.81 0.96 0.00 0.00 31 P 0.00 4.91 0.00 2.27 2.14 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 32 E 9.22 4.96 0.00 1.95 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 0.00 2.24 2.43 0.00 33 L 8.63 5.60 0.00 1.52 1.48 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.48 4.68 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 35 D 8.81 4.44 0.00 2.84 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 36 L 7.62 4.71 0.00 1.55 1.38 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.04 4.63 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 38 P 0.00 4.09 0.00 1.99 2.02 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 39 G 7.60 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 0.00 0.00 0.00 40 M 8.41 5.05 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 41 H 8.89 5.11 0.00 2.97 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.93 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.49 5.53 0.00 2.96 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 44 H 8.69 5.01 0.00 3.04 3.03 0.00 5.85 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 45 I 8.44 4.50 1.92 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 1.13 1.20 0.78 0.00 0.00 46 H 9.09 5.12 0.00 3.08 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.96 4.11 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 48 N 8.57 4.78 0.00 2.76 2.74 0.00 0.00 7.11 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 49 G 8.15 4.13 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 0.00 50 S 7.48 4.63 0.00 3.79 3.69 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 51 C 8.66 4.83 0.00 2.98 3.01 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 52 A 7.77 4.30 1.26 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 0.00 0.00 0.00 53 S 8.46 4.97 0.00 3.79 3.80 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 53A S 8.22 4.81 0.00 3.83 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 53B E 8.65 5.13 0.00 1.94 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 2.34 2.21 0.00 53C K 8.75 4.26 0.00 1.82 1.61 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.44 7.81 53D D 9.72 4.54 0.00 2.83 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 53E G 10.40 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 53F K 7.67 4.61 0.00 1.81 1.69 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.49 7.81 53G V 8.08 4.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 53H V 8.47 4.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 54 L 7.87 4.09 0.00 1.54 1.60 0.91 1.00 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 55 G 9.24 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 0.00 0.00 0.00 56 G 8.83 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 0.00 0.00 0.00 0.00 57 A 8.39 4.02 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 58 A 8.05 4.14 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 59 G 7.73 3.75 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 0.00 60 G 8.16 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.18 4.40 0.00 2.62 3.03 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.99 4.23 0.00 2.85 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 63 D 8.04 4.50 0.00 2.76 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 0.00 0.00 0.00 0.00 64 P 0.00 4.12 0.00 2.03 1.91 0.00 3.22 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 65 E 7.75 4.32 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 66 H 7.72 4.12 0.00 3.21 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 9.12 3.99 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 1.28 0.00 0.00 68 N 9.02 4.43 0.00 2.83 2.94 0.00 0.00 7.00 6.23 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 68A K 7.34 4.61 0.00 1.94 1.53 0.00 1.82 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.47 7.81 69 H 8.79 5.08 0.00 3.01 3.22 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.66 3.49 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 0.00 71 F 8.00 3.91 0.00 2.45 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.00 2.12 0.00 2.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 73 W 6.83 4.90 0.00 3.32 3.32 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 74 T 7.26 4.74 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 1.33 0.00 0.00 75 D 8.66 4.51 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.81 4.68 0.00 2.61 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 77 N 7.48 5.01 0.00 2.78 2.62 0.00 0.00 6.39 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.41 4.04 0.00 3.53 3.51 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.56 3.87 0.00 1.42 1.39 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 80 G 8.38 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 0.00 0.00 0.00 0.00 81 D 7.79 4.91 0.00 2.51 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.76 4.72 0.00 1.45 1.26 -0.51 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.48 0.00 2.21 2.18 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 84 A 8.50 4.38 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 85 L 8.50 4.28 0.00 1.10 1.26 0.47 0.19 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 86 F 8.86 5.03 0.00 3.02 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 87 V 9.27 4.17 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 0.86 0.00 0.00 0.77 0.00 0.00 88 S 8.83 4.26 0.00 3.81 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 89 A 8.65 3.83 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 90 N 8.15 4.54 0.00 2.90 3.04 0.00 0.00 6.28 7.87 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 91 G 8.91 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.16 4.79 0.00 1.87 1.55 0.92 0.73 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 93 A 8.46 5.00 1.18 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 0.00 0.00 94 T 8.35 4.96 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 1.23 0.00 0.00 95 N 8.21 4.67 0.00 2.83 2.91 0.00 0.00 7.13 7.69 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 96 P 0.00 4.95 0.00 2.21 2.12 0.00 3.81 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 2.04 2.05 0.00 97 V 9.05 4.76 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 0.80 0.00 0.00 1.22 0.00 0.00 98 L 8.81 5.33 0.00 1.74 1.67 1.16 1.04 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 99 A 9.22 4.86 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 0.00 100 P 0.00 5.07 0.00 2.32 2.41 0.00 3.54 0.00 0.00 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 101 R 8.06 4.29 0.00 1.88 2.05 0.00 3.20 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 102 L 7.71 4.99 0.00 1.75 1.69 1.11 1.13 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 0.00 103 T 8.20 4.52 4.25 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 1.24 0.00 0.00 98 L 8.81 5.33 0.00 1.74 1.67 1.16 1.04 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 99 K 9.27 4.86 0.00 1.86 1.69 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.34 7.81 100 E 8.78 5.00 0.00 2.09 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 0.00 2.47 2.46 0.00 101 L 7.99 4.29 0.00 1.64 1.91 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.84 4.97 0.00 1.97 1.82 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.39 7.81 103 G 8.38 4.13 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 0.00 113 H 7.52 4.85 0.00 3.14 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.25 5.14 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 0.00 115 I 9.09 4.67 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.34 0.96 0.00 0.00 116 M 8.97 5.09 0.00 2.15 1.77 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 117 I 8.80 5.00 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.78 0.00 0.00 118 H 9.01 5.06 0.00 3.07 3.51 0.00 5.65 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 0.00 119 A 8.92 4.15 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 0.00 120 G 8.17 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 0.00 0.00 0.00 121 G 8.19 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.31 4.55 0.00 2.55 2.40 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 0.00 123 N 8.87 4.59 0.00 2.92 3.01 0.00 0.00 6.69 7.36 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 0.00 124 H 8.57 4.04 0.00 2.28 1.90 0.00 5.85 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 7.28 4.20 0.00 3.74 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 *130 D 8.45 4.74 0.00 2.71 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 0.00 131 M 7.96 4.86 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 132 P 0.00 4.54 0.00 2.17 2.15 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 133 K 7.54 4.49 0.00 1.66 1.64 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.37 7.81 134 A 8.46 4.19 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 0.00 135 L 9.51 3.41 0.00 1.71 1.46 0.79 0.69 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 0.00 136 G 8.53 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 0.00 0.00 0.00 0.00 137 G 8.47 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 0.00 138 G 7.71 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.88 3.81 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 0.00 0.00 0.00 140 A 8.47 4.23 1.26 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 0.00 0.00 0.00 141 R 8.38 4.47 0.00 1.77 1.74 0.00 3.35 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 142 V 9.24 4.53 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 0.81 0.00 0.00 0.97 0.00 0.00 143 A 7.74 5.03 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 0.00 144 C 9.37 5.37 0.00 2.90 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 0.00 145 G 8.49 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 0.00 0.00 0.00 0.00 146 V 8.37 4.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 147 I 8.81 4.12 2.09 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 1.26 0.57 0.90 0.00 0.00 148 Q 8.55 4.19 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.