NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.3957 0.0000 0.0000 62.7935 33.6190 178.2464 7 Q 4.0620 7.8624 122.9536 58.5884 28.5513 178.2946 8 L 4.1298 8.6418 120.7169 58.1779 42.6470 178.2193 9 K 3.9319 7.9196 118.7466 59.2168 31.9432 178.9291 10 F 4.0909 8.2532 120.2042 61.2846 39.3776 176.8761 11 A 3.7245 7.5976 120.0236 55.3727 18.1563 179.5359 12 M 3.8469 8.1912 117.5082 58.4636 31.8439 178.8400 13 Q 3.7993 8.0233 121.3155 58.2036 28.9438 178.1220 14 R 3.5563 7.6662 119.2901 59.1855 30.1707 177.5692 15 D 4.5268 8.2939 116.9572 55.0655 41.4784 177.2142 16 L 4.4601 7.7340 116.5687 53.4641 43.2028 176.7633 17 G 3.6030 7.5376 106.5292 46.4168 0.0000 173.7303 18 I 4.4471 7.2528 121.2335 59.3140 37.7336 175.5477 19 F 4.3408 9.4227 125.1790 55.9257 40.2263 175.3325 20 P 4.2938 0.0000 0.0000 66.3604 30.9690 178.9558 21 T 4.1018 8.0464 105.4594 63.9503 69.1862 175.2280 22 Q 4.4772 8.4921 120.6231 56.4627 29.1620 177.4674 23 L 4.0817 7.7914 121.2756 57.4296 41.7038 177.2991 24 P 4.2566 0.0000 0.0000 65.9108 31.4700 178.4658 25 Q 3.9810 8.1334 117.6226 59.1198 28.9224 177.4657 26 Y 3.7945 7.9937 120.2432 60.6082 38.8244 177.7785 27 L 3.5795 8.1878 120.2941 57.8542 41.7251 179.3702 28 Q 3.8734 8.1336 119.3814 59.4902 28.9364 178.5670 29 T 3.8483 7.4921 116.4072 66.2563 68.3755 176.4730 30 E 3.6809 7.7849 121.6903 58.9878 29.5350 178.8435 31 K 3.8444 7.9700 119.7078 59.3553 32.2930 178.4312 32 L 3.8725 7.9447 120.4045 58.1641 41.7382 178.7766 33 A 3.9778 7.8324 119.6076 55.1139 18.6369 179.7145 34 R 3.9928 7.7765 116.4568 59.7439 30.0820 179.4715 35 T 3.9899 8.0958 108.4488 64.1155 68.9627 175.4046 36 Q 4.3549 8.0199 118.4984 55.3092 29.3406 176.9928 37 A 3.8851 7.4754 121.9169 55.5024 18.3096 179.6830 38 A 3.7964 7.8640 118.0299 55.1412 18.5198 179.5310 39 A 3.8562 7.8118 118.8415 55.1787 18.4874 179.8569 40 I 3.4039 7.8757 118.6853 64.4127 36.9832 178.4535 41 E 2.5773 7.4699 119.3322 58.9487 28.9487 179.4270 42 R 3.8274 7.7379 117.7566 59.3729 30.1894 177.8980 43 E 4.1662 7.9841 118.2093 59.2352 29.9274 178.2651 44 F 4.5088 8.8522 116.7566 58.6320 39.6566 176.9638 45 G 3.8149 8.4979 108.6547 46.2368 0.0000 176.0045 46 A 4.1223 8.7970 123.2470 54.8976 18.6533 178.2048 47 Q 4.4684 7.9578 113.2117 55.1644 29.3850 175.6498 48 F 4.8374 8.4195 121.9068 59.0009 39.7556 174.9795 49 A 4.5879 8.6099 129.7000 51.5758 19.7729 176.9462 50 G 3.8950 6.1147 103.9909 46.7172 0.0000 173.0550 51 S 4.9695 8.1578 112.4266 56.6866 66.3046 172.8373 52 W 5.0834 8.1599 116.9976 55.9321 31.8424 172.9242 53 I 4.7594 8.5630 121.5577 60.3731 37.8677 175.0820 54 E 5.0113 9.6055 127.4548 54.4549 33.3137 174.0381 55 R 4.5201 8.5432 125.3935 54.6980 31.5479 175.8506 56 N 4.6688 9.1969 124.1234 52.5859 39.4618 176.0771 57 E 3.9112 8.7077 120.0491 59.5666 29.5944 178.0210 58 D 4.5184 7.9459 115.3588 53.5477 39.7773 176.9072 59 G 3.9235 8.1413 109.7426 45.2316 0.0000 174.1968 60 S 4.6407 8.4961 115.0153 58.1435 64.7790 173.1350 61 F 5.4743 9.2871 119.0560 55.9071 41.9726 174.9753 62 K 4.6943 9.2863 118.8930 55.8399 36.5645 174.2459 63 L 4.9114 8.4359 123.0623 53.5701 44.0114 175.0175 64 V 4.6662 8.2700 125.9940 60.8256 34.6676 173.9763 65 A 4.8739 8.8092 127.9352 50.0478 22.1019 174.7798 66 A 5.3556 9.0197 124.5744 50.8308 22.0043 175.7093 67 T 5.3210 8.7806 114.1659 60.7082 70.8601 174.3283 68 S 5.2779 8.9044 121.6097 58.3331 64.4853 174.5583 69 G 4.0844 7.9514 110.2412 44.7416 0.0000 173.1519 70 A 4.2132 8.4338 122.7278 53.2540 19.3222 178.8932 71 R 3.8136 7.8677 116.1043 57.5298 29.5001 182.5745 72 K 4.6303 8.4755 121.0128 53.4014 33.7022 173.6964 73 S 4.7342 7.5221 110.9552 58.0985 65.9338 172.9264 74 S 4.8577 8.1614 114.1014 56.5887 65.1923 174.0592 75 T 4.0803 9.6521 122.4038 65.9743 68.5034 175.4843 76 L 4.3046 7.7891 121.9075 53.6360 42.3834 177.1964 77 G 3.6742 8.4660 112.3486 46.5988 0.0000 173.7273 78 G 3.8067 8.7881 107.7186 45.3126 0.0000 173.1986 79 V 4.4033 7.5326 119.2537 60.7946 33.3199 174.4523 80 E 4.3608 9.0327 130.3817 55.4116 30.9091 175.0017 81 V 4.6934 8.3965 127.2013 61.9074 33.0901 174.6814 82 R 4.6746 9.1366 128.5248 54.5881 32.6833 173.9351 83 N 5.2694 8.8491 124.0266 52.7153 39.7343 174.7093 84 V 4.4860 8.6733 116.3861 59.4415 35.8450 177.1700 85 R 3.6233 8.7274 121.1439 59.0023 30.1007 175.9446 86 Y 5.0294 8.0024 114.2349 56.3245 40.0671 176.2691 87 S 4.6293 9.0951 118.6830 57.4015 65.8660 175.3188 88 L 4.0270 8.8796 126.8259 58.8934 41.8708 179.8658 89 K 4.0716 8.1515 123.1543 59.9343 31.5472 180.9174 90 Q 4.1956 8.0746 119.1710 58.9463 28.6928 178.8637 91 L 3.9293 7.9648 120.0208 57.7874 41.6079 179.3869 92 Q 4.0178 8.7331 119.9075 59.2131 29.0216 178.5433 93 S 4.1222 8.0851 115.9419 61.4319 62.8433 176.4803 94 A 4.1967 7.7522 124.5891 54.6539 18.0727 179.3143 95 M 4.0047 8.1867 116.8007 59.0107 32.2707 178.3875 96 E 4.0737 8.4001 118.6597 59.4555 29.1666 179.4105 97 Q 3.9517 7.9296 118.0975 58.7792 28.7473 178.7362 98 L 3.4975 7.7820 120.0367 57.6004 41.5667 179.1624 99 D 4.8008 8.4018 118.6121 57.6004 40.8279 178.7474 100 A 4.1493 8.4289 121.5459 55.2121 18.1477 179.8821 101 G 3.5945 8.3151 103.3430 47.9466 0.0000 175.4706 102 A 4.2745 8.3195 124.1228 54.8173 18.5981 179.4513 103 N 4.5011 8.1672 116.5868 53.6378 38.0232 182.6276 104 A 3.7577 8.0170 119.7772 53.9736 18.7710 178.1617 *113 L 4.0394 8.3392 117.3816 52.8180 43.8458 177.2640 114 D 4.5319 7.9105 117.7587 56.1922 41.7021 176.9078 115 G 4.0372 9.1314 111.5506 44.3153 0.0000 173.1939 116 V 4.2010 7.2311 119.4932 62.3810 32.1634 175.2997 117 Q 4.4240 9.2505 127.8054 57.8543 29.2604 175.9448 118 S 4.5160 7.9280 110.8231 57.7601 66.2884 172.7666 119 W 6.3000 8.0861 115.7256 56.0623 30.7349 173.5130 120 Y 4.8458 7.8098 117.0593 56.1288 40.3882 173.2468 121 V 3.9064 8.7269 121.7030 63.2897 32.6387 175.5114 122 D 4.8259 9.2037 127.9203 51.2078 41.2959 173.7638 123 P 4.2233 0.0000 0.0000 65.1232 31.8735 178.7002 124 R 2.5100 7.2616 116.7692 57.9645 29.7600 176.8466 125 S 4.4808 7.7456 109.5341 56.7690 63.6184 173.3229 126 N 4.0656 7.9868 118.1145 53.9787 37.6188 172.2416 127 A 4.5955 7.1695 116.9631 51.3705 23.5508 176.3271 128 V 4.3825 8.8159 119.9217 61.7936 33.1890 174.9198 129 V 4.4164 8.6492 128.3681 61.4521 33.6126 174.7616 130 V 4.8282 8.4299 126.9945 61.1458 33.9740 174.2107 131 K 4.9587 9.2739 129.0125 55.9330 33.5426 176.8168 132 V 5.0423 8.5637 116.6099 59.2318 36.1931 174.9558 133 D 5.0072 9.2672 122.5992 53.6877 42.0802 176.0496 134 D 4.2339 8.6938 121.2588 56.6222 41.0870 177.5376 135 G 3.9695 9.3540 111.7886 45.6109 0.0000 172.8829 136 A 4.7672 8.0360 120.7308 51.2911 19.7348 179.1152 137 T 3.9221 8.1700 112.9454 66.6643 68.3424 175.6390 138 D 4.3170 8.1175 120.8442 57.0952 40.9012 178.3712 139 A 4.0928 8.0513 121.5237 55.1344 18.3998 179.9675 140 G 3.6542 7.9791 103.8298 47.7300 0.0000 176.0606 141 V 3.5638 8.0390 120.8190 66.0409 31.5469 177.8738 142 D 4.3538 8.3074 118.8281 57.2062 40.6115 178.5678 143 F 4.3056 8.3033 121.0944 61.4652 39.2012 177.3483 144 V 3.0282 7.4425 116.0686 65.6047 31.6599 177.5414 145 A 4.0570 8.0304 120.7372 55.1187 18.0916 179.6894 146 L 3.9882 7.9153 117.3386 58.7759 40.5491 179.2477 147 S 4.1801 7.7271 114.2446 59.0547 62.9648 175.3172 148 G 3.7445 7.5059 109.2460 45.6646 0.0000 173.2847 149 A 4.1790 7.3051 121.7287 50.9195 19.1257 177.7603 150 D 4.2900 8.4479 121.5288 54.1555 41.3256 177.2329 151 S 3.9639 8.7322 122.3117 61.0704 63.0227 176.2190 152 A 4.0871 8.4561 123.2660 54.0922 18.4496 177.8884 153 Q 4.0535 8.0093 114.0750 55.6657 29.5390 175.1219 154 V 4.9783 7.0491 118.2542 60.7973 34.4590 174.9446 155 R 4.6352 8.7667 122.5563 54.5308 32.5630 173.9934 156 I 4.7238 8.4142 124.2497 60.4036 38.6735 174.7347 157 E 4.6973 8.9593 127.1304 54.2366 32.6185 175.1177 158 S 4.8559 8.7958 122.8744 58.7440 63.8094 173.5737 159 S 4.6495 9.1297 117.9277 55.9916 65.4785 171.9363 160 P 4.4986 0.0000 0.0000 62.5546 32.3683 177.5367 161 G 3.9680 8.6648 109.6022 45.3366 0.0000 172.9151 162 K 4.6420 8.0885 116.0367 54.8257 36.2030 176.2636 163 L 4.1830 8.4623 120.8577 55.1648 41.6446 176.9593 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 P 0.00 4.40 0.00 2.20 2.01 0.00 3.57 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 2.01 2.09 0.00 7 Q 7.86 4.06 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.04 0.00 8 L 8.64 4.13 0.00 1.72 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.92 3.93 0.00 2.13 1.87 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.46 7.81 10 F 8.25 4.09 0.00 3.11 3.22 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 11 A 7.60 3.72 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 12 M 8.19 3.85 0.00 1.87 2.14 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 13 Q 8.02 3.80 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 14 R 7.67 3.56 0.00 0.92 1.52 0.00 3.20 0.00 0.00 2.76 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 15 D 8.29 4.53 0.00 2.62 2.61 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 0.00 0.00 0.00 0.00 16 L 7.73 4.46 0.00 1.68 1.62 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.54 3.60 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 0.00 0.00 0.00 18 I 7.25 4.45 1.73 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.07 0.91 0.00 0.00 19 F 9.42 4.34 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.29 0.00 2.23 2.20 0.00 3.82 0.00 0.00 3.88 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 21 T 8.05 4.10 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 1.25 0.00 0.00 22 Q 8.49 4.48 0.00 2.43 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 23 L 7.79 4.08 0.00 2.05 1.78 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.26 0.00 2.19 2.13 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 25 Q 8.13 3.98 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 26 Y 7.99 3.79 0.00 2.84 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.19 3.58 0.00 1.99 1.64 1.09 0.85 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 28 Q 8.13 3.87 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 29 T 7.49 3.85 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 30 E 7.78 3.68 0.00 1.21 1.70 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 2.20 2.24 0.00 31 K 7.97 3.84 0.00 1.78 1.84 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.40 7.81 32 L 7.94 3.87 0.00 1.89 1.74 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.83 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.78 3.99 0.00 2.05 1.95 0.00 3.11 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 35 T 8.10 3.99 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 1.19 0.00 0.00 36 Q 8.02 4.35 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 37 A 7.48 3.89 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 38 A 7.86 3.80 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 39 A 7.81 3.86 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 40 I 7.88 3.40 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.24 0.00 0.00 41 E 7.47 2.58 0.00 1.78 1.42 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 1.47 2.15 0.00 42 R 7.74 3.83 0.00 1.92 1.92 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 43 E 7.98 4.17 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 44 F 8.85 4.51 0.00 3.29 3.28 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 45 G 8.50 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 46 A 8.80 4.12 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 47 Q 7.96 4.47 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 48 F 8.42 4.84 0.00 3.25 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 4.59 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 50 G 6.11 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 51 S 8.16 4.97 0.00 3.82 3.85 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 52 W 8.16 5.08 0.00 3.46 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 53 I 8.56 4.76 2.06 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 1.25 0.64 1.17 0.00 0.00 54 E 9.61 5.01 0.00 2.38 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 2.31 2.42 0.00 55 R 8.54 4.52 0.00 1.52 1.63 0.00 2.85 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 0.00 56 N 9.20 4.67 0.00 2.91 2.68 0.00 0.00 6.67 8.16 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 57 E 8.71 3.91 0.00 1.94 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 2.31 2.31 0.00 58 D 7.95 4.52 0.00 2.75 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 59 G 8.14 3.92 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 0.00 0.00 0.00 60 S 8.50 4.64 0.00 3.96 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 61 F 9.29 5.47 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 62 K 9.29 4.69 0.00 1.77 1.88 0.00 1.42 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.42 7.81 63 L 8.44 4.91 0.00 1.74 1.71 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.27 4.67 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 0.00 0.00 0.44 0.00 0.00 0.81 0.00 0.00 65 A 8.81 4.87 1.05 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 66 A 9.02 5.36 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 67 T 8.78 5.32 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 1.14 0.00 0.00 68 S 8.90 5.28 0.00 4.04 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 0.00 69 G 7.95 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 70 A 8.43 4.21 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 71 R 7.87 3.81 0.00 1.84 1.78 0.00 3.21 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 72 K 8.48 4.63 0.00 1.72 1.67 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 0.95 7.81 73 S 7.52 4.73 0.00 3.91 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 74 S 8.16 4.86 0.00 4.08 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 75 T 9.65 4.08 4.32 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 1.22 0.00 0.00 76 L 7.79 4.30 0.00 1.64 1.59 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.47 3.67 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 0.00 0.00 0.00 78 G 8.79 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 79 V 7.53 4.40 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 0.80 0.00 0.00 0.94 0.00 0.00 80 E 9.03 4.36 0.00 2.06 1.74 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 2.26 2.25 0.00 81 V 8.40 4.69 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 0.82 0.00 0.00 1.02 0.00 0.00 82 R 9.14 4.67 0.00 1.91 1.83 0.00 3.37 0.00 0.00 3.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 83 N 8.85 5.27 0.00 2.63 2.73 0.00 0.00 6.90 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.67 4.49 2.31 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 0.82 0.00 0.00 1.04 0.00 0.00 85 R 8.73 3.62 0.00 1.50 1.52 0.00 2.91 0.00 0.00 2.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 86 Y 8.00 5.03 0.00 3.02 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 9.10 4.63 0.00 4.24 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 0.00 88 L 8.88 4.03 0.00 1.77 1.79 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.15 4.07 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.11 7.81 90 Q 8.07 4.20 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 91 L 7.96 3.93 0.00 1.86 1.71 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.73 4.02 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 93 S 8.09 4.12 0.00 4.11 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 94 A 7.75 4.20 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 95 M 8.19 4.00 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 96 E 8.40 4.07 0.00 2.30 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 2.37 2.40 0.00 97 Q 7.93 3.95 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 98 L 7.78 3.50 0.00 1.69 0.83 0.66 0.13 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 99 D 8.40 4.80 0.00 3.01 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 0.00 100 A 8.43 4.15 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 0.00 101 G 8.32 3.59 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 0.00 102 A 8.32 4.27 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 0.00 103 N 8.17 4.50 0.00 2.86 2.74 0.00 0.00 7.03 7.60 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 0.00 104 A 8.02 3.76 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 *113 L 8.34 4.04 0.00 1.64 1.49 0.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.91 4.53 0.00 2.65 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 0.00 115 G 9.13 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 0.00 0.00 0.00 116 V 7.23 4.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.83 0.00 0.00 117 Q 9.25 4.42 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.42 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 118 S 7.93 4.52 0.00 3.80 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 0.00 119 W 8.09 6.30 0.00 3.29 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 0.00 120 Y 7.81 4.85 0.00 3.05 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 0.00 121 V 8.73 3.91 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 0.80 0.00 0.00 1.08 0.00 0.00 122 D 9.20 4.83 0.00 2.86 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 0.00 123 P 0.00 4.22 0.00 2.30 2.48 0.00 3.65 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 2.20 2.13 0.00 124 R 7.26 2.51 0.00 0.67 1.45 0.00 2.55 0.00 0.00 2.92 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.00 125 S 7.75 4.48 0.00 3.96 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 0.00 126 N 7.99 4.07 0.00 2.85 2.91 0.00 0.00 6.85 8.69 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 0.00 127 A 7.17 4.60 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 0.00 128 V 8.82 4.38 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 1.00 0.00 0.00 0.89 0.00 0.00 129 V 8.65 4.42 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 0.00 0.00 0.71 0.00 0.00 0.72 0.00 0.00 130 V 8.43 4.83 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 1.12 0.00 0.00 0.89 0.00 0.00 131 K 9.27 4.96 0.00 1.84 1.78 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.51 7.81 132 V 8.56 5.04 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 0.83 0.00 0.00 1.01 0.00 0.00 133 D 9.27 5.01 0.00 2.57 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 0.00 134 D 8.69 4.23 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.35 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 0.00 136 A 8.04 4.77 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 0.00 137 T 8.17 3.92 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 0.00 138 D 8.12 4.32 0.00 2.71 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 0.00 139 A 8.05 4.09 1.42 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 0.00 0.00 0.00 140 G 7.98 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 0.00 141 V 8.04 3.56 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 1.00 0.00 0.00 0.97 0.00 0.00 142 D 8.31 4.35 0.00 2.88 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 0.00 143 F 8.30 4.31 0.00 2.99 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 0.00 144 V 7.44 3.03 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 0.68 0.00 0.00 0.78 0.00 0.00 145 A 8.03 4.06 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 0.00 146 L 7.92 3.99 0.00 1.78 1.82 1.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.73 4.18 0.00 3.91 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 0.00 148 G 7.51 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 0.00 149 A 7.31 4.18 1.03 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 0.00 0.00 150 D 8.45 4.29 0.00 2.67 2.42 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 0.00 151 S 8.73 3.96 0.00 3.99 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 0.00 152 A 8.46 4.09 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 0.00 153 Q 8.01 4.05 0.00 1.90 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 154 V 7.05 4.98 1.95 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 0.70 0.00 0.00 0.82 0.00 0.00 155 R 8.77 4.64 0.00 1.82 1.92 0.00 2.78 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 156 I 8.41 4.72 1.86 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 1.23 0.54 0.97 0.00 0.00 157 E 8.96 4.70 0.00 1.98 1.74 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 2.21 2.26 0.00 158 S 8.80 4.86 0.00 3.81 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 0.00 159 S 9.13 4.65 0.00 3.86 3.82 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 0.00 160 P 0.00 4.50 0.00 1.98 1.98 0.00 3.92 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 161 G 8.66 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 0.00 162 K 8.09 4.64 0.00 1.70 1.66 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.67 1.46 7.81 163 L 8.46 4.18 0.00 1.63 1.56 0.90 0.81 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 * Residues marked with a * may have inaccurate shift predictions.