NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3499 8.1227 122.4669 51.9683 22.8070 178.4696 7 V 4.0655 8.6405 120.8920 62.9621 31.8544 173.3922 8 T 4.5002 8.7743 117.3623 62.1333 72.1032 173.9077 9 G 4.4829 7.7067 107.8386 45.0061 0.0000 172.5705 10 V 4.7025 8.2058 114.5539 60.0622 34.0054 175.1772 11 A 4.7546 8.4378 122.3220 50.6448 22.9086 175.0838 12 L 5.2412 8.4299 121.5424 53.3456 45.6358 175.2120 13 D 4.7580 9.1195 124.5356 52.3226 44.6038 175.1826 14 L 4.9122 8.6049 125.0795 54.2401 43.7406 176.1179 15 D 4.8658 8.7501 117.2236 54.2899 42.1706 174.9615 16 H 5.6047 8.2410 112.0179 53.4827 32.4983 172.8096 17 A 4.7787 9.3103 121.5130 50.2734 22.6802 174.7673 18 Q 4.7510 9.1864 122.9055 54.8598 31.1427 174.3389 19 I 4.6455 8.3118 127.0012 59.2759 40.1543 174.6204 20 G 4.1412 8.9530 114.4130 44.1910 0.0000 171.7463 21 L 5.3481 9.4201 125.9903 53.0282 43.7854 175.3518 22 I 4.4505 8.5439 118.4981 59.6354 40.1651 176.6336 23 G 3.9451 8.3944 111.9934 46.0095 0.0000 173.7588 24 I 4.0157 7.3616 112.6696 59.3678 38.4612 173.7659 25 P 4.6155 0.0000 0.0000 62.8889 31.7072 175.7392 26 D 4.7603 8.4212 118.7689 54.3274 41.4340 176.5070 27 Q 4.2121 7.7545 117.0822 54.6920 29.4107 174.0232 28 P 4.3794 0.0000 0.0000 64.2070 32.0912 176.8905 29 G 4.0630 8.9049 109.4763 45.7377 0.0000 175.8270 30 I 3.6651 7.5748 119.5793 64.2914 37.1440 177.6650 31 A 4.0948 8.1698 120.7865 55.4739 18.0768 179.1958 32 A 3.9093 7.9984 118.2423 55.4069 18.5866 179.5814 33 K 3.8434 8.5634 117.0485 59.7351 32.0480 179.6363 34 V 3.5568 8.1276 118.4309 66.2602 31.4995 178.1735 35 F 3.8339 8.4648 117.2938 59.8873 38.6446 177.5788 36 Q 3.9414 8.3652 119.4562 59.2237 28.4160 178.1649 37 A 3.9658 7.8652 121.5552 55.3201 18.4230 179.6359 38 L 3.6493 7.6246 117.2366 57.7569 41.5111 179.6515 39 A 4.0313 8.1501 120.9079 54.9695 18.1020 179.0843 40 E 3.8325 8.1638 117.0989 58.7647 29.6367 178.3103 41 R 4.4947 7.1338 114.7367 54.7876 30.8602 176.2542 42 G 3.7424 7.8999 106.8726 46.3798 0.0000 173.5406 43 I 3.9979 7.9508 120.9450 59.3441 37.9885 175.7495 44 A 4.3544 8.3728 128.5264 51.4510 19.6478 176.0854 45 V 4.0355 8.0489 120.8790 62.5476 32.7962 173.3483 46 D 4.3769 9.4157 128.8806 55.2136 40.3552 176.3643 47 M 4.7552 6.9534 115.3029 54.2481 35.7903 175.5336 48 I 5.1878 8.0816 119.7943 60.1073 41.2689 173.4355 49 I 4.8134 9.1112 122.3604 59.5660 41.2637 173.7082 50 Q 4.7137 8.3555 119.0169 54.3307 32.7651 175.2015 51 G 3.7835 8.9157 109.4362 46.1129 0.0000 173.9872 52 V 3.8926 8.3434 123.1306 61.6903 32.1942 175.2667 53 P 4.2633 0.0000 0.0000 64.7405 31.8582 176.6975 54 G 3.9724 7.6887 110.7269 46.4051 0.0000 174.1466 *55 H 3.6328 7.6901 114.9555 54.7888 27.2627 176.4353 *58 S 4.2227 8.2260 105.8238 59.8563 61.8708 172.3839 59 R 4.4730 7.9768 123.4321 54.6072 32.5993 174.0365 60 Q 4.3834 8.3285 126.0731 56.9605 30.5717 176.2004 61 Q 4.9511 8.2975 117.1901 55.5136 31.8768 173.1255 62 M 5.3675 9.3142 119.5476 53.6232 35.5853 173.8567 63 A 5.0338 8.6163 121.0166 50.2840 22.8948 175.1649 64 F 5.5594 8.3214 116.6099 55.2178 42.1494 173.6966 65 T 5.2936 9.1318 109.8264 60.0826 71.5196 173.5624 66 V 4.9998 8.8438 122.3847 59.6052 35.9019 174.8287 67 K 4.7725 8.7326 119.9697 55.9780 32.6826 178.4199 68 K 3.9161 8.7195 122.4509 59.7706 32.1531 178.9178 69 D 4.2643 7.7025 116.8361 56.2159 40.9834 176.8247 70 F 5.1198 7.7151 116.2134 57.0044 40.1964 177.0528 71 A 4.0869 7.9611 125.2899 55.1201 18.0508 180.2160 72 Q 3.9014 8.0142 117.6888 59.3227 29.2503 177.7132 73 E 3.9542 8.2855 119.6886 59.3508 29.5047 178.4995 74 A 4.0064 7.8965 119.7541 54.8864 18.6943 179.3156 75 L 4.1007 7.8757 117.1848 58.2855 41.6390 179.4935 76 E 4.3357 8.5435 119.3706 58.8511 29.1221 179.5066 77 A 3.9404 8.0158 120.2362 54.7574 18.7103 178.8738 78 L 4.3141 7.9791 115.5280 55.5268 41.8846 178.9102 79 E 4.0402 7.6782 119.5567 59.1535 29.0062 177.3110 80 P 4.2447 0.0000 0.0000 65.5666 31.4471 178.7200 81 V 3.7403 7.6307 116.5419 65.4770 31.5679 177.9350 82 L 3.9964 8.6712 119.6569 57.6523 41.2425 179.1665 83 A 3.9897 7.9934 119.8047 55.1081 18.3638 179.1558 84 E 4.0233 7.7497 116.0126 59.0139 30.0264 178.2572 85 I 4.2908 7.6166 109.1951 61.1555 38.8700 176.2876 86 G 3.6179 8.0401 108.8977 44.8325 0.0000 172.6412 87 G 3.8321 8.8032 105.9970 44.3352 0.0000 171.6119 88 E 4.6928 8.6626 118.0759 54.2136 32.6786 174.7611 89 A 4.9835 8.6828 128.7105 50.7939 20.4161 175.9012 90 I 4.3724 8.8001 123.7415 59.0683 40.7583 173.8151 91 L 4.9402 8.5340 131.5535 53.8675 43.7452 175.7991 92 R 4.4481 9.1976 124.8225 54.0956 32.6047 174.5208 93 P 4.3343 0.0000 0.0000 65.4810 31.9908 177.7041 94 D 4.9010 7.8806 119.4394 53.6918 38.3634 175.5049 95 I 4.8435 7.5140 111.9377 58.8901 41.4179 176.3256 96 A 4.8954 8.9490 124.8742 50.0958 22.3961 175.3775 97 K 5.0417 9.1993 123.5097 54.1535 33.9003 174.9307 98 V 4.6695 8.2309 128.4973 61.9996 33.3026 174.9216 99 S 5.1825 8.7192 122.9576 56.0574 67.3870 172.5171 100 I 4.7945 7.8721 118.7209 60.1939 41.3248 173.6827 101 V 5.1125 9.7624 121.3356 57.6253 35.3593 175.4251 102 G 4.4972 7.4241 107.5599 45.0488 0.0000 172.4531 103 V 4.4675 7.6547 124.1314 60.6429 34.0387 176.3478 104 G 4.3846 8.6794 114.8006 46.2380 0.0000 173.4797 105 L 4.1840 8.2047 119.6213 56.7758 42.8609 180.2048 106 A 4.0001 7.5856 118.1797 55.0576 18.3219 178.1214 107 S 4.6913 8.1193 108.1409 58.8527 63.4628 174.8991 108 T 4.5432 7.3918 118.5900 60.3055 68.5774 172.4789 109 P 4.1546 0.0000 0.0000 65.7039 31.7705 177.0127 110 E 3.7429 8.1310 116.6057 58.2499 29.5948 178.7610 111 V 3.7594 7.9672 118.9124 65.8999 31.7150 176.0422 112 P 3.6538 0.0000 0.0000 65.0746 31.1918 178.0961 113 A 3.8718 7.1822 119.3240 55.4901 18.1704 179.7658 114 K 3.8707 7.8273 117.1185 59.5195 32.2127 178.6657 115 M 4.2809 8.1937 118.7278 58.8652 32.2523 178.2734 116 F 4.6675 8.4347 118.2840 60.5384 39.2128 177.9117 117 Q 4.0513 8.4308 117.7345 58.6568 28.2528 178.3790 118 A 3.9973 8.1443 121.3040 55.3269 18.9060 179.4661 119 V 3.7105 7.9690 116.3199 66.2068 31.5361 177.9491 120 A 3.9683 8.0125 120.1862 55.3662 17.9605 179.4569 121 S 3.9543 7.8077 112.7365 62.1255 62.9779 176.6745 122 T 4.3220 7.7727 110.2862 62.3453 68.9495 175.9038 123 G 3.7924 8.5292 109.8155 45.2535 0.0000 172.8439 124 A 2.8142 6.8806 121.6055 50.6363 18.9355 177.4212 125 N 4.3363 8.1277 122.2682 52.5259 39.4515 174.6193 126 I 3.9713 8.0903 127.0133 61.4292 36.6976 175.4425 127 E 4.2740 8.8856 126.9798 58.8615 30.2549 177.2812 128 M 4.8884 7.6573 116.7296 54.0468 36.8703 174.0359 129 I 5.1727 8.2309 120.7370 59.6193 41.1164 174.5854 130 A 4.9077 9.0526 127.1503 50.4741 22.5686 175.0013 131 T 4.9192 8.5061 116.4225 61.9455 71.6893 173.3348 132 S 4.7455 9.0012 119.5586 56.6335 67.0221 174.7886 133 E 4.1199 8.9648 117.9740 58.6588 29.5791 179.0012 134 V 4.4409 7.4226 109.6915 60.2472 33.3558 175.0442 135 R 5.0003 7.4436 119.5096 55.2697 33.4478 173.4828 136 I 4.9208 8.6948 126.7630 59.9203 39.9340 174.4019 137 S 4.9969 8.6045 123.5672 57.0716 65.2943 174.0963 138 V 5.0026 9.1583 115.6952 59.6959 35.8456 174.4204 139 I 5.0310 8.4123 123.4000 59.7140 39.7385 175.0059 140 I 5.0208 8.6137 118.9664 58.3400 41.9817 172.8536 141 P 4.6555 0.0000 0.0000 62.2773 31.9656 177.9473 142 A 4.1384 8.3098 122.2097 54.8379 17.9812 179.8734 143 E 3.8161 8.2389 117.1038 59.1188 29.8622 177.4446 144 Y 4.4568 7.9432 114.2708 57.7422 38.2821 177.0479 145 A 4.0447 7.8651 123.6247 55.3167 18.5033 179.3861 146 E 3.8387 8.1633 116.6546 59.3705 29.8808 178.4072 147 A 4.0035 8.1187 120.0383 55.2309 18.4389 179.1455 148 A 3.9622 8.4278 119.3898 55.2728 18.5235 179.3162 149 L 3.8737 8.0754 118.7919 58.4904 42.1739 178.9330 150 R 3.9241 8.0468 118.1603 59.7812 29.7581 178.3297 151 A 4.0942 7.9231 118.8327 54.9017 18.3852 179.4680 152 V 3.9019 7.7401 116.5141 66.1444 31.8550 177.5067 153 H 4.4785 8.3772 118.1233 59.1675 29.6755 176.9297 154 Q 4.6937 8.0615 119.1454 56.1928 30.0646 175.9749 155 A 4.5255 7.9825 117.9505 51.1801 22.0112 176.0741 156 F 4.8754 8.1861 115.2954 56.1344 42.7636 175.7514 157 E 4.3837 8.8483 116.2869 56.2464 30.2472 174.3445 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 6 A 8.12 4.35 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.64 4.07 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 0.46 0.00 0.00 0.54 0.00 0.00 8 T 8.77 4.50 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 9 G 7.71 4.48 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 0.00 10 V 8.21 4.70 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 0.70 0.00 0.00 0.84 0.00 0.00 11 A 8.44 4.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.43 5.24 0.00 1.62 1.50 0.94 1.13 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 13 D 9.12 4.76 0.00 2.76 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 14 L 8.60 4.91 0.00 1.51 1.59 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.75 4.87 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.24 5.60 0.00 3.03 3.19 0.00 5.89 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 17 A 9.31 4.78 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 18 Q 9.19 4.75 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 19 I 8.31 4.65 1.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.52 0.59 0.00 0.00 20 G 8.95 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 21 L 9.42 5.35 0.00 1.58 1.63 1.16 -0.39 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 22 I 8.54 4.45 1.86 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 1.15 0.96 0.89 0.00 0.00 23 G 8.39 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 24 I 7.36 4.02 1.90 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 1.44 1.11 0.94 0.00 0.00 25 P 0.00 4.62 0.00 2.08 2.03 0.00 3.69 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 2.04 2.15 0.00 26 D 8.42 4.76 0.00 2.64 2.65 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 27 Q 7.75 4.21 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 28 P 0.00 4.38 0.00 2.04 1.99 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 G 8.90 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.57 3.67 1.91 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 1.68 0.58 0.96 0.00 0.00 31 A 8.17 4.09 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 32 A 8.00 3.91 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 33 K 8.56 3.84 0.00 1.93 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.71 7.81 34 V 8.13 3.56 2.32 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 0.82 0.00 0.00 1.08 0.00 0.00 35 F 8.46 3.83 0.00 3.21 3.07 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 0.00 36 Q 8.37 3.94 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 37 A 7.87 3.97 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 38 L 7.62 3.65 0.00 1.50 1.68 -0.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.15 4.03 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 40 E 8.16 3.83 0.00 2.18 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 2.31 2.39 0.00 41 R 7.13 4.49 0.00 1.57 1.88 0.00 3.33 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 42 G 7.90 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 43 I 7.95 4.00 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.94 0.00 0.00 44 A 8.37 4.35 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 45 V 8.05 4.04 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 0.91 0.00 0.00 0.16 0.00 0.00 46 D 9.42 4.38 0.00 2.73 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 6.95 4.76 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 48 I 8.08 5.19 2.09 0.00 0.00 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 1.64 0.63 1.01 0.00 0.00 49 I 9.11 4.81 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 1.23 0.85 0.92 0.00 0.00 50 Q 8.36 4.71 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 51 G 8.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 3.89 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 0.99 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.26 0.00 2.08 2.13 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 54 G 7.69 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 *55 H 7.69 3.63 0.00 3.06 2.95 0.00 7.24 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 S 8.23 4.22 0.00 3.85 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 59 R 7.98 4.47 0.00 1.82 1.76 0.00 3.32 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 60 Q 8.33 4.38 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 61 Q 8.30 4.95 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 62 M 9.31 5.37 0.00 2.14 2.41 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 63 A 8.62 5.03 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 64 F 8.32 5.56 0.00 3.08 3.16 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 65 T 9.13 5.29 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 1.22 0.00 0.00 66 V 8.84 5.00 2.26 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 0.92 0.00 0.00 1.11 0.00 0.00 67 K 8.73 4.77 0.00 2.00 1.60 0.00 1.98 0.00 0.00 1.92 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.49 7.81 68 K 8.72 3.92 0.00 1.72 1.80 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.46 7.81 69 D 7.70 4.26 0.00 1.58 2.22 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 70 F 7.72 5.12 0.00 3.13 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.96 4.09 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 72 Q 8.01 3.90 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 73 E 8.29 3.95 0.00 2.16 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 2.38 2.40 0.00 74 A 7.90 4.01 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 75 L 7.88 4.10 0.00 2.00 1.75 0.93 0.67 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 76 E 8.54 4.34 0.00 2.21 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 0.00 2.35 2.37 0.00 77 A 8.02 3.94 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 78 L 7.98 4.31 0.00 1.87 1.76 1.17 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.68 4.04 0.00 2.26 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 2.34 2.58 0.00 80 P 0.00 4.24 0.00 2.15 2.11 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 81 V 7.63 3.74 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 1.10 0.00 0.00 0.94 0.00 0.00 82 L 8.67 4.00 0.00 1.89 1.71 0.93 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.99 3.99 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 84 E 7.75 4.02 0.00 2.01 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 2.33 2.32 0.00 85 I 7.62 4.29 1.89 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 1.73 0.81 0.93 0.00 0.00 86 G 8.04 3.62 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 0.00 0.00 0.00 87 G 8.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.66 4.69 0.00 2.01 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 2.17 2.22 0.00 89 A 8.68 4.98 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 90 I 8.80 4.37 1.84 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 1.08 1.63 0.91 0.00 0.00 91 L 8.53 4.94 0.00 1.64 1.51 0.95 0.92 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 92 R 9.20 4.45 0.00 1.68 1.78 0.00 3.31 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 93 P 0.00 4.33 0.00 2.03 2.09 0.00 3.66 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 2.01 2.09 0.00 94 D 7.88 4.90 0.00 2.64 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 95 I 7.51 4.84 2.02 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 1.30 0.70 0.91 0.00 0.00 96 A 8.95 4.90 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 97 K 9.20 5.04 0.00 1.81 1.86 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.20 7.81 98 V 8.23 4.67 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 99 S 8.72 5.18 0.00 3.78 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 0.00 100 I 7.87 4.79 1.74 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.00 0.71 0.00 0.00 101 V 9.76 5.11 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 1.05 0.00 0.00 0.93 0.00 0.00 102 G 7.42 4.50 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 0.00 0.00 0.00 103 V 7.65 4.47 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 0.78 0.00 0.00 0.93 0.00 0.00 104 G 8.68 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 0.00 0.00 0.00 0.00 105 L 8.20 4.18 0.00 1.67 1.67 0.85 0.96 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 0.00 106 A 7.59 4.00 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 0.00 107 S 8.12 4.69 0.00 3.99 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 0.00 108 T 7.39 4.54 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 0.00 109 P 0.00 4.15 0.00 2.14 2.14 0.00 3.59 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 2.13 2.19 0.00 110 E 8.13 3.74 0.00 2.06 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 2.34 2.38 0.00 111 V 7.97 3.76 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 0.95 0.00 0.00 1.01 0.00 0.00 112 P 0.00 3.65 0.00 1.85 1.64 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 2.03 2.04 0.00 113 A 7.18 3.87 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 0.00 114 K 7.83 3.87 0.00 1.79 1.56 0.00 1.35 0.00 0.00 1.36 0.00 0.00 2.34 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.05 1.27 7.81 115 M 8.19 4.28 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.82 0.00 116 F 8.43 4.67 0.00 3.15 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 0.00 117 Q 8.43 4.05 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 118 A 8.14 4.00 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 0.00 119 V 7.97 3.71 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 0.99 0.00 0.00 1.07 0.00 0.00 120 A 8.01 3.97 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 0.00 121 S 7.81 3.95 0.00 3.92 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 0.00 122 T 7.77 4.32 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 123 G 8.53 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 0.00 0.00 0.00 124 A 6.88 2.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.13 4.34 0.00 2.57 2.65 0.00 0.00 7.21 7.94 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 0.00 126 I 8.09 3.97 1.70 0.00 0.00 0.68 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 0.54 0.71 0.00 0.00 127 E 8.89 4.27 0.00 1.80 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 128 M 7.66 4.89 0.00 1.91 1.87 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 2.57 2.57 0.00 129 I 8.23 5.17 1.82 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.39 0.99 0.00 0.00 130 A 9.05 4.91 1.22 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 0.00 131 T 8.51 4.92 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 1.25 0.00 0.00 132 S 9.00 4.75 0.00 3.83 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 0.00 133 E 8.96 4.12 0.00 2.02 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 2.40 2.27 0.00 134 V 7.42 4.44 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 1.02 0.00 0.00 0.93 0.00 0.00 135 R 7.44 5.00 0.00 1.84 1.71 0.00 3.12 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 136 I 8.69 4.92 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 1.04 0.00 0.00 137 S 8.60 5.00 0.00 3.75 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.16 5.00 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 0.93 0.00 0.00 1.02 0.00 0.00 139 I 8.41 5.03 1.85 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 1.28 1.10 0.91 0.00 0.00 140 I 8.61 5.02 1.87 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 1.35 1.16 0.87 0.00 0.00 141 P 0.00 4.66 0.00 2.55 2.13 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 142 A 8.31 4.14 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 0.00 143 E 8.24 3.82 0.00 1.85 1.53 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 2.04 2.27 0.00 144 Y 7.94 4.46 0.00 3.24 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 0.00 145 A 7.87 4.04 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 0.00 146 E 8.16 3.84 0.00 2.06 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 2.40 2.40 0.00 147 A 8.12 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.43 3.96 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 0.00 149 L 8.08 3.87 0.00 1.87 1.93 0.94 0.80 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 0.00 150 R 8.05 3.92 0.00 2.06 2.14 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 151 A 7.92 4.09 1.46 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 0.00 0.00 152 V 7.74 3.90 2.29 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 0.93 0.00 0.00 1.11 0.00 0.00 153 H 8.38 4.48 0.00 3.39 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.06 4.69 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 155 A 7.98 4.53 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.19 4.88 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.85 4.38 0.00 1.95 1.67 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 2.12 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.