NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.2978 8.2649 123.5745 51.5462 19.3495 175.8666 17 P 4.7807 0.0000 0.0000 60.8453 34.0332 175.3588 18 L 3.8220 9.1962 124.0538 57.4508 42.8051 176.7307 19 P 4.3413 0.0000 0.0000 64.8287 31.5325 176.3062 20 M 4.2380 7.9707 119.0742 54.7469 32.3073 174.9885 21 E 4.6279 8.5038 124.8983 53.8116 32.0616 175.4599 22 G 3.6858 8.7183 113.6542 46.8303 0.0000 172.7455 23 V 4.1812 8.9503 127.2884 61.6424 33.3274 174.5726 24 D 5.0110 8.7458 128.0029 54.3978 41.1460 175.4687 25 I 4.4260 8.4551 119.9155 60.2831 38.7968 176.3679 26 S 4.0525 8.4279 119.8088 58.1895 62.9822 173.8883 27 P 4.2193 0.0000 0.0000 65.5110 31.1027 177.3101 28 K 4.1318 8.1553 115.9725 56.3972 32.8526 176.1636 29 Q 3.5986 7.9305 117.9663 57.6099 26.3624 173.5359 30 D 4.8196 8.1260 110.9504 52.7926 39.9927 176.5027 31 E 3.7804 9.1998 118.2855 57.5777 28.8984 175.8964 32 G 3.2140 8.4916 105.7382 48.1530 0.0000 174.0086 33 V 4.7211 7.2681 120.9657 62.0015 34.2285 172.6898 34 L 4.9917 8.9373 129.3247 52.9697 43.6441 175.6455 35 K 5.0394 9.2198 125.7318 54.5804 35.2866 174.9926 36 V 4.5819 8.5528 125.8611 60.9851 34.6572 174.3973 37 I 4.1198 8.4650 129.5315 61.4925 36.8067 175.8883 38 K 4.0985 8.7697 129.4998 58.4846 33.1877 177.0067 39 R 4.5710 8.3932 121.0450 54.2410 33.0304 174.6398 40 E 4.3369 8.9704 126.4665 56.0553 30.2572 177.1651 41 G 3.7749 8.4163 111.8219 45.8118 0.0000 173.7094 42 T 4.1987 8.3997 110.7770 61.5355 69.5830 174.9014 43 G 4.0084 7.6443 111.4990 44.8997 0.0000 172.8104 44 T 4.4318 8.1156 111.3588 62.4441 69.5569 174.5588 45 E 4.3344 8.0043 120.5058 56.7628 30.1812 175.5896 46 M 4.9704 8.2539 120.1153 52.8395 36.2085 173.4592 47 P 2.9700 0.0000 0.0000 62.5357 32.2950 175.7695 48 M 4.7370 8.3660 120.4946 52.8408 35.2550 175.4798 49 I 3.9626 8.1282 121.4323 63.5480 37.6443 176.4271 50 G 4.0992 9.1024 112.6978 46.4759 0.0000 173.7129 51 D 4.7526 7.8369 119.4519 53.9346 42.6517 175.7475 52 R 4.4020 8.6731 122.5839 56.1092 31.1106 175.6720 53 V 4.8810 8.2267 120.2573 59.6192 34.9944 174.8074 54 F 5.2589 9.6899 122.1838 56.0091 41.8186 175.0636 55 V 5.4790 9.3276 115.9811 60.4689 37.0474 173.6504 56 H 5.7215 9.2850 118.3718 54.6162 32.6699 172.7442 57 Y 6.0573 9.2492 119.3222 56.1132 42.5103 173.6140 58 T 4.6011 8.6493 114.6755 61.7263 73.1825 173.2418 59 G 3.2555 7.9930 112.2995 43.6433 0.0000 172.0288 60 W 5.5517 8.7323 123.8107 54.7226 33.0934 175.2893 61 L 4.8099 9.2364 123.2129 53.6335 42.3892 178.0681 62 L 4.0304 8.6554 121.1923 58.1629 41.6320 178.1302 63 D 4.6104 8.1177 115.5982 53.4647 39.1128 177.3192 64 G 3.9392 8.3074 107.9254 45.9967 0.0000 174.4401 65 T 4.0012 8.4029 118.3518 63.2317 68.7697 173.5445 66 K 4.3585 8.7446 128.6489 55.5483 31.9618 175.8970 67 F 4.6847 8.1159 122.4863 57.7514 39.0984 174.6722 68 D 4.3371 6.3132 117.8244 53.7498 44.7691 173.9194 69 S 4.4307 8.0571 111.7431 57.2191 64.2808 176.7124 70 S 4.0220 6.9945 122.8186 61.2322 63.2780 175.8468 71 L 4.0247 7.1948 120.4608 54.2079 38.7713 176.1977 *76 K 3.9631 7.7335 120.6478 55.8303 33.7394 174.9083 77 F 4.9959 9.1786 123.3975 57.5249 40.7909 174.5797 78 S 4.8601 7.4343 119.2043 56.7187 65.9843 172.0876 79 F 4.5106 7.6480 117.9259 56.5411 41.6683 171.8713 80 D 5.0675 8.3877 118.3774 52.8179 41.7217 176.8496 81 L 4.0543 8.6534 127.1688 55.3135 43.3797 177.2315 82 G 4.0868 9.4479 114.4941 46.9718 0.0000 174.1897 83 K 4.3605 8.3253 116.2463 55.3136 33.1423 177.1436 84 G 3.9292 8.3111 106.7722 46.0895 0.0000 174.8382 85 E 4.1108 8.1617 119.8478 57.5953 29.8534 176.3134 86 V 4.1959 7.2026 109.9343 58.4170 35.4083 174.8534 87 I 3.5279 7.2343 120.3312 61.7651 37.6424 177.4740 88 K 3.9200 8.8086 122.9477 59.9218 31.9611 179.3985 89 A 4.1669 8.8447 121.1531 54.9585 18.1313 179.8804 90 W 3.9906 8.3436 117.5497 60.0258 28.9643 178.3645 91 D 4.5771 8.3221 118.3382 57.6555 40.0288 179.0541 92 I 3.8469 7.8398 118.9359 64.2619 37.3885 178.1096 93 A 4.0940 8.1184 121.6201 55.3302 18.2902 179.8686 94 I 3.6343 7.8647 118.0037 64.0048 36.9397 177.8453 95 A 4.2789 7.4061 119.9435 53.3407 18.1645 177.6290 96 T 4.4478 7.7332 106.3057 61.2121 69.6168 173.8179 97 M 4.8362 7.5831 121.4409 54.0449 33.8121 176.1238 98 K 4.4574 8.5049 121.7462 55.2771 33.3796 176.8431 99 V 3.8843 7.8443 121.4013 64.4666 31.7726 176.7296 100 G 3.8659 9.1960 116.4071 44.8318 0.0000 173.2277 101 E 4.3532 7.9653 121.7456 56.0415 31.1246 175.4427 102 V 4.9349 8.9022 126.6004 61.2675 34.4005 174.0981 103 C 5.4152 9.2419 121.5709 56.9923 34.1823 172.2032 104 H 5.7373 9.5284 116.5632 53.9912 31.3812 173.0935 105 I 5.1195 8.8766 117.0826 59.3939 40.5253 174.5111 106 T 5.0449 9.2254 122.8410 62.2910 70.5117 173.1089 107 C 5.2616 9.2925 125.1082 57.8677 30.9444 174.2518 108 K 4.5642 8.9942 123.2697 55.4107 33.1412 176.3423 109 P 4.3972 0.0000 0.0000 66.0736 31.2227 178.6756 110 E 3.9467 8.2578 113.1290 58.4038 29.5573 176.7662 111 Y 4.5059 8.2516 116.6830 57.8699 39.8513 174.7578 112 A 4.6961 7.7530 124.6399 52.4761 18.8435 178.1353 113 Y 4.1945 9.1180 121.9122 59.9779 38.9919 176.5068 114 G 3.9848 7.7965 109.3976 46.3110 0.0000 174.9425 115 S 4.4011 8.9223 112.8922 59.2221 63.7690 175.3120 116 A 4.0628 8.0886 123.2593 52.4291 19.0036 178.6736 117 G 3.8412 7.4920 103.5548 44.8797 0.0000 173.8708 118 S 4.2534 8.5640 114.7802 55.6055 64.3793 171.2747 119 P 4.4622 0.0000 0.0000 62.2553 31.5157 175.1024 120 P 4.7212 0.0000 0.0000 62.5190 32.1443 176.2107 121 K 4.0797 7.8288 118.8255 58.7614 32.4305 177.0318 122 I 4.3523 8.0728 119.9463 58.6118 40.7044 174.2357 123 P 4.7582 0.0000 0.0000 61.4047 33.0784 173.6409 124 P 4.4789 0.0000 0.0000 62.6728 31.8268 176.3922 125 N 4.0712 9.1345 118.5231 54.3847 36.2254 174.1021 126 A 4.9267 7.8237 118.7766 50.8412 20.7663 178.2312 127 T 4.4602 8.5822 120.1804 63.2698 69.5579 174.3144 128 L 5.1762 9.2424 125.7537 52.8929 46.2670 175.4501 129 V 5.0885 8.8497 119.9973 61.3354 34.7170 174.2491 130 F 5.4922 9.4180 125.8785 55.6993 42.8483 173.5308 131 E 5.1929 9.1092 123.8577 54.6550 31.5329 174.6110 132 V 5.0297 8.7625 126.8885 60.9955 34.8881 173.5806 133 E 4.9926 9.1474 127.8924 54.2614 32.6418 174.0815 134 L 4.5277 8.6748 129.3698 54.5135 42.9148 176.4623 135 F 4.4558 9.1281 125.7712 59.1660 40.4179 175.5036 136 E 5.0229 8.2489 114.2297 56.3530 32.2741 174.2213 137 F 5.6205 8.1798 113.1333 55.9516 40.8667 173.4505 138 K 4.5070 9.5158 121.9388 54.1870 35.2400 175.4080 139 G 4.8146 9.2423 113.6618 46.1122 0.0000 173.0470 140 E 4.2353 8.9777 120.9076 56.3349 29.3655 177.3423 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 16 A 8.26 4.30 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 17 P 0.00 4.78 0.00 2.20 1.90 0.00 3.60 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 1.96 2.13 0.00 18 L 9.20 3.82 0.00 1.62 1.72 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.34 0.00 2.02 2.10 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 20 M 7.97 4.24 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 21 E 8.50 4.63 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 22 G 8.72 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 0.00 0.00 0.00 23 V 8.95 4.18 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 0.75 0.00 0.00 0.92 0.00 0.00 24 D 8.75 5.01 0.00 2.71 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 25 I 8.46 4.43 1.84 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 1.38 0.73 0.89 0.00 0.00 26 S 8.43 4.05 0.00 3.92 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 27 P 0.00 4.22 0.00 2.24 2.26 0.00 3.84 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 2.09 2.05 0.00 28 K 8.16 4.13 0.00 1.90 1.96 0.00 1.93 0.00 0.00 1.80 0.00 0.00 3.28 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.52 7.81 29 Q 7.93 3.60 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.33 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 30 D 8.13 4.82 0.00 2.84 2.78 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 31 E 9.20 3.78 0.00 2.14 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 2.20 2.23 0.00 32 G 8.49 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 0.00 0.00 0.00 33 V 7.27 4.72 1.79 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 0.90 0.00 0.00 0.54 0.00 0.00 34 L 8.94 4.99 0.00 1.63 1.56 0.92 0.92 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 35 K 9.22 5.04 0.00 1.73 1.60 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 36 V 8.55 4.58 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 0.77 0.00 0.00 0.92 0.00 0.00 37 I 8.46 4.12 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.93 0.00 0.00 38 K 8.77 4.10 0.00 1.58 1.85 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.47 7.81 39 R 8.39 4.57 0.00 1.81 1.68 0.00 3.13 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 40 E 8.97 4.34 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 2.30 2.24 0.00 41 G 8.42 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.40 4.20 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 1.20 0.00 0.00 43 G 7.64 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 0.00 0.00 0.00 44 T 8.12 4.43 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 1.23 0.00 0.00 45 E 8.00 4.33 0.00 2.14 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 2.46 2.30 0.00 46 M 8.25 4.97 0.00 1.85 1.85 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 2.67 2.67 0.00 47 P 0.00 2.97 0.00 1.73 1.52 0.00 3.43 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.53 0.00 48 M 8.37 4.74 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 49 I 8.13 3.96 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 1.34 0.44 0.91 0.00 0.00 50 G 9.10 4.10 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 0.00 51 D 7.84 4.75 0.00 2.62 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 52 R 8.67 4.40 0.00 1.92 1.82 0.00 2.95 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.14 0.00 53 V 8.23 4.88 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 0.49 0.00 0.00 0.01 0.00 0.00 54 F 9.69 5.26 0.00 3.13 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 55 V 9.33 5.48 2.45 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 0.95 0.00 0.00 1.59 0.00 0.00 56 H 9.29 5.72 0.00 3.58 3.35 0.00 5.59 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 9.25 6.06 0.00 3.34 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 58 T 8.65 4.60 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 -0.15 0.00 0.00 59 G 7.99 3.26 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 0.00 60 W 8.73 5.55 0.00 3.28 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.24 4.81 0.00 1.81 1.65 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.66 4.03 0.00 1.67 1.78 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.12 4.61 0.00 2.79 2.78 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 64 G 8.31 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 65 T 8.40 4.00 4.37 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 1.29 0.00 0.00 66 K 8.74 4.36 0.00 1.73 1.69 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.03 0.65 7.81 67 F 8.12 4.68 0.00 2.98 3.10 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 68 D 6.31 4.34 0.00 2.97 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.06 4.43 0.00 3.50 3.43 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 70 S 6.99 4.02 0.00 4.15 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.19 4.02 0.00 1.54 1.58 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *76 K 7.73 3.96 0.00 1.89 1.96 0.00 1.36 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.02 7.81 77 F 9.18 5.00 0.00 3.40 3.48 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 78 S 7.43 4.86 0.00 2.89 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 79 F 7.65 4.51 0.00 3.10 2.73 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 80 D 8.39 5.07 0.00 2.84 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 81 L 8.65 4.05 0.00 1.56 1.42 1.07 1.01 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 82 G 9.45 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 0.00 0.00 0.00 83 K 8.33 4.36 0.00 1.76 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.34 7.81 84 G 8.31 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 85 E 8.16 4.11 0.00 2.07 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 0.00 2.32 2.35 0.00 86 V 7.20 4.20 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 -0.10 0.00 0.00 0.85 0.00 0.00 87 I 7.23 3.53 1.36 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.09 0.82 0.00 0.00 88 K 8.81 3.92 0.00 1.91 1.98 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.45 7.81 89 A 8.84 4.17 1.51 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 90 W 8.34 3.99 0.00 3.35 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 91 D 8.32 4.58 0.00 2.76 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 92 I 7.84 3.85 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.93 0.00 0.00 93 A 8.12 4.09 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 94 I 7.86 3.63 2.10 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 1.39 0.81 0.92 0.00 0.00 95 A 7.41 4.28 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 96 T 7.73 4.45 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 1.25 0.00 0.00 97 M 7.58 4.84 0.00 2.00 1.99 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 2.72 2.64 0.00 98 K 8.50 4.46 0.00 1.88 1.72 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.56 1.42 7.81 99 V 7.84 3.88 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 1.18 0.00 0.00 100 G 9.20 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 0.00 101 E 7.97 4.35 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 102 V 8.90 4.93 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 1.05 0.00 0.00 0.89 0.00 0.00 103 C 9.24 5.42 0.00 3.10 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 0.00 104 H 9.53 5.74 0.00 3.04 3.24 0.00 5.57 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 0.00 105 I 8.88 5.12 1.92 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.11 0.89 0.00 0.00 106 T 9.23 5.04 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 1.26 0.00 0.00 107 C 9.29 5.26 0.00 3.05 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 0.00 108 K 8.99 4.56 0.00 1.96 1.99 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.67 7.81 109 P 0.00 4.40 0.00 2.21 2.10 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 110 E 8.26 3.95 0.00 1.82 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 2.30 2.21 0.00 111 Y 8.25 4.51 0.00 3.32 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 0.00 112 A 7.75 4.70 0.98 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 0.00 0.00 113 Y 9.12 4.19 0.00 3.14 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 0.00 114 G 7.80 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.92 4.40 0.00 3.99 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 0.00 116 A 8.09 4.06 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 0.00 117 G 7.49 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.56 4.25 0.00 2.93 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 0.00 119 P 0.00 4.46 0.00 2.12 2.00 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 120 P 0.00 4.72 0.00 2.14 2.13 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 121 K 7.83 4.08 0.00 1.66 1.86 0.00 1.71 0.00 0.00 2.03 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.44 7.81 122 I 8.07 4.35 1.34 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.49 0.61 0.00 0.00 123 P 0.00 4.76 0.00 2.04 1.96 0.00 3.49 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 124 P 0.00 4.48 0.00 1.93 2.23 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 125 N 9.13 4.07 0.00 2.88 2.90 0.00 0.00 6.80 8.15 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 0.00 126 A 7.82 4.93 1.21 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 0.00 127 T 8.58 4.46 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 1.34 0.00 0.00 128 L 9.24 5.18 0.00 1.73 1.74 1.28 0.45 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 0.00 129 V 8.85 5.09 2.24 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 1.13 0.00 0.00 1.00 0.00 0.00 130 F 9.42 5.49 0.00 3.13 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 9.11 5.19 0.00 2.31 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 2.39 2.47 0.00 132 V 8.76 5.03 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 0.74 0.00 0.00 0.41 0.00 0.00 133 E 9.15 4.99 0.00 2.08 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 1.62 1.99 0.00 134 L 8.67 4.53 0.00 1.82 1.66 1.12 0.99 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 0.00 135 F 9.13 4.46 0.00 3.22 3.13 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 0.00 136 E 8.25 5.02 0.00 1.94 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 2.14 2.22 0.00 137 F 8.18 5.62 0.00 3.10 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 0.00 138 K 9.52 4.51 0.00 1.88 1.73 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81 139 G 9.24 4.81 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 E 8.98 4.24 0.00 2.06 1.88 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 2.49 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.