NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4609 8.2893 120.3508 55.3636 33.3893 174.6669 1 V 4.3172 8.1612 124.6438 59.5479 34.2863 172.8871 2 L 4.6739 8.1710 124.0995 52.6440 44.7729 178.2389 3 S 4.4887 8.7829 117.7413 57.6702 65.2110 175.1032 4 E 4.2330 8.8881 122.8398 59.5418 29.3164 178.8758 5 G 3.8522 8.2669 105.1765 48.2624 0.0000 175.2321 6 E 3.9452 8.1372 121.1373 58.7062 29.4291 179.4284 7 W 4.4014 8.3997 119.3659 60.1020 29.0811 178.6156 8 Q 4.1758 8.7271 118.2519 58.8042 28.0617 178.8501 9 L 4.0607 7.9407 120.2781 57.7527 41.6890 179.6126 10 V 3.7810 7.9716 118.1754 66.2346 31.5457 178.1402 11 L 4.2628 8.3767 118.7117 57.7360 41.6275 178.9417 12 H 4.1898 8.8057 119.1031 59.3486 29.9673 177.8362 13 V 3.7551 8.0541 120.9311 64.3758 31.2517 178.1297 14 W 3.7499 8.4490 129.0941 60.0746 30.2918 177.6271 15 A 4.0169 8.0141 120.0865 55.2293 18.1100 179.4850 16 K 3.9120 7.4171 115.7914 59.3682 32.0641 179.5764 17 V 2.6997 6.9992 118.3708 65.7670 31.0217 177.5168 18 E 4.0241 7.5081 115.2140 57.7319 29.4597 178.2303 19 A 4.2674 7.4397 120.3091 53.4617 20.1779 177.6994 20 D 4.6605 7.6923 116.1702 52.4049 43.0833 175.6165 21 V 3.4897 7.9403 123.4763 65.6486 32.1475 176.6928 22 A 4.0604 8.0468 120.1707 55.1147 18.2218 179.7327 23 G 3.4447 8.3693 104.0919 48.2264 0.0000 175.5319 24 H 4.0820 8.1798 119.2543 58.5597 28.6628 178.1103 25 G 3.5543 8.3018 107.5361 47.7689 0.0000 175.8413 26 Q 3.9044 8.1824 120.4220 58.8230 28.7835 178.2795 27 D 4.3077 7.9964 119.8242 57.5778 40.8047 179.2742 28 I 3.6381 7.9251 120.2131 64.3150 37.0965 178.5233 29 L 3.3009 7.8097 119.8610 57.5035 41.2789 179.5239 30 I 3.6499 7.6894 119.8718 64.3737 36.9815 178.2550 31 R 3.7870 7.9032 119.3458 59.3205 29.7952 177.9801 32 L 3.8691 7.9228 120.2517 58.5379 42.0621 179.1748 33 F 4.5795 8.1040 117.7750 60.3860 38.5418 177.9594 34 K 4.0616 8.2926 118.1121 59.3745 31.9768 179.2841 35 S 4.1859 8.1425 114.9995 60.6583 64.3088 174.6460 36 H 5.2748 8.6172 117.2877 51.5836 29.2512 172.4077 37 P 5.1691 0.0000 0.0000 64.8919 31.7302 178.3492 38 E 4.0687 8.2132 117.5858 59.4405 29.1670 178.9928 39 T 3.9339 8.2169 112.7403 63.9265 68.8180 176.5898 40 L 4.1435 7.9733 122.1669 57.6512 41.3675 179.2380 41 E 4.0020 8.0562 115.6539 59.1508 29.7508 177.8259 42 K 4.0747 7.5657 115.9495 56.8289 32.0323 177.0066 43 F 5.0641 7.8640 119.6929 55.2747 39.3794 175.2874 44 D 4.3583 8.7903 126.1189 57.2172 40.7391 178.5137 45 R 4.1894 7.5625 115.3327 56.4334 30.5473 176.0490 46 F 5.0381 8.0045 114.7543 57.8330 40.8940 177.1773 47 K 4.0383 8.2191 119.2455 59.1545 32.3657 177.4491 48 H 4.4396 8.1297 114.0483 56.8846 29.1248 175.0518 49 L 4.3098 7.8066 121.7197 54.0252 42.0350 175.5160 50 K 4.3414 9.6996 123.0266 58.1073 33.8759 177.7126 51 T 4.4429 7.6317 108.6062 60.4411 71.7267 175.0081 52 E 3.9251 8.6285 121.7054 59.1692 29.7537 178.5344 53 A 3.9726 8.0814 120.4849 55.5319 18.1768 179.2610 54 E 3.9629 7.8799 115.1811 59.9296 29.6920 179.3501 55 M 4.2582 8.0461 118.7048 58.3499 31.8066 179.0216 56 K 4.0225 8.4582 117.9478 58.8758 32.2811 178.5551 57 A 4.3792 7.5995 118.9335 52.0809 19.3628 177.3860 58 S 4.2477 7.3478 114.0785 57.9102 63.0523 174.6316 59 E 4.0544 8.9520 128.5165 59.2635 29.4385 178.3032 60 D 4.4603 8.1985 118.6891 57.3404 40.9028 178.4279 61 L 4.0809 8.3235 120.7856 57.9855 42.2486 178.7639 62 K 3.9028 8.0164 119.3789 59.6172 32.2615 178.8883 63 K 4.0364 8.4435 119.0130 59.8102 31.8905 178.9220 64 H 4.4173 8.8045 118.8413 59.0323 29.8727 177.4486 65 G 3.6050 8.4411 108.0256 47.7658 0.0000 175.7993 66 V 3.6228 7.7689 120.2109 65.9858 31.5612 178.2721 67 T 3.8374 7.7189 115.1871 66.6013 68.3028 176.5303 68 V 3.6015 7.8690 120.3316 66.3736 31.4614 178.1439 69 L 4.3066 7.9392 118.1310 57.8553 41.4768 179.6593 70 T 4.0953 8.3401 116.3722 66.5120 68.2590 177.0575 71 G 3.5882 8.2445 107.7542 47.5959 0.0000 175.6247 72 L 3.6840 8.1722 123.1033 57.6785 42.0811 179.2279 73 G 2.9853 8.3226 105.7570 47.4775 0.0000 175.3868 74 A 3.9446 7.5008 121.6818 54.9900 18.7871 179.6031 75 I 3.7543 7.3067 118.3117 64.4721 37.1835 178.6048 76 L 3.9389 7.7546 120.1307 57.7524 41.1626 179.7765 77 K 3.8842 7.7533 117.1702 58.8835 32.2436 178.8548 78 K 3.9243 7.7441 117.5363 56.1663 32.5321 176.6435 79 K 2.0000 8.3230 118.3127 56.3622 29.7152 175.6252 80 G 3.9383 7.7288 106.0630 45.7022 0.0000 173.8873 81 H 4.5474 7.2393 119.0987 55.0740 27.4318 174.7088 82 H 5.2519 7.3394 111.1605 53.8759 29.9585 175.8784 83 E 3.9644 8.5546 122.7549 60.0923 29.0126 178.6276 84 A 4.0305 7.9493 119.0145 55.0269 18.7316 178.6658 85 E 4.2133 8.1930 115.2518 57.5914 29.9451 177.8502 86 L 4.3695 7.7320 120.1358 56.3552 42.9708 177.9658 87 K 3.8654 8.0918 119.6128 59.1138 32.1807 176.5601 88 P 4.2353 0.0000 0.0000 65.8372 31.3634 178.0248 89 L 4.0385 8.1093 117.9594 58.3828 41.8598 178.5320 90 A 4.1083 8.6349 120.8819 55.4587 18.4475 179.4410 91 Q 3.8600 8.4537 117.8680 58.9339 28.9490 178.9159 92 S 4.1366 8.0799 115.6357 61.8505 63.2871 176.2603 93 H 4.2643 8.3388 119.2394 57.9812 28.2248 177.7335 94 A 3.7024 7.9966 122.7900 55.3340 18.3110 179.6252 95 T 4.1725 7.6836 106.8461 63.8156 69.1879 174.3698 96 K 4.0712 7.5020 119.8616 55.9005 33.8769 175.4361 *98 K 4.1114 8.2254 129.8579 55.9749 33.1462 177.4684 99 I 3.9723 7.5068 118.9750 59.4478 37.9331 175.2424 100 P 4.3057 0.0000 0.0000 62.2696 32.0726 177.2159 101 I 3.3788 7.8025 121.9908 64.4196 37.5797 178.4933 102 K 3.7123 7.8979 118.7573 59.9466 32.3486 178.4199 103 Y 3.9440 7.9321 117.4025 60.8081 37.5794 178.5213 104 L 4.1750 7.9149 120.0875 57.8363 41.6657 179.3738 105 E 4.0057 7.8188 118.2166 59.3432 29.3707 179.4340 106 F 4.5398 7.6810 117.3494 60.7262 38.9967 177.5691 107 I 3.7872 8.2430 119.7306 64.5852 36.9344 178.6639 108 S 4.2074 8.3651 115.9582 61.5362 62.6004 176.2483 109 E 3.9939 8.4632 121.7499 59.3156 29.3487 178.7311 110 A 3.9964 8.0995 120.6098 55.2175 18.3887 179.5423 111 I 3.6499 8.0165 118.3906 64.6774 37.2758 178.5255 112 I 3.8731 7.9259 120.4592 64.7901 36.9164 177.7521 113 H 4.1212 8.4817 118.9545 59.4744 29.6630 177.3963 114 V 3.4991 7.9603 119.8527 65.9608 31.3617 177.8481 115 L 3.7457 7.9429 118.9050 57.9086 41.0422 179.1150 116 H 4.3994 8.0350 117.1345 59.3225 29.9636 176.8491 117 S 4.1245 7.9821 113.9788 61.5579 62.2962 176.0222 118 R 4.0382 8.0227 119.2089 57.7164 31.2047 176.4734 119 H 5.0215 8.0562 115.6403 54.0577 29.5140 172.9415 120 P 4.3146 0.0000 0.0000 65.5532 31.9919 178.7378 121 G 3.7596 8.1663 107.1984 47.2407 0.0000 173.5899 122 D 4.7941 8.0787 117.6428 54.1417 41.7366 176.8745 123 F 4.5961 8.5013 123.9516 56.9249 38.1363 175.3212 124 G 4.0157 7.3675 111.8051 43.8397 0.0000 170.7831 125 A 3.8941 8.4749 120.6334 55.3679 18.3313 179.9315 126 D 4.1471 7.8580 116.5139 57.5083 41.0996 178.7293 127 A 3.9422 7.6866 120.7572 55.0453 18.3457 179.5418 128 Q 3.4250 7.7223 117.0580 58.6895 28.7066 179.0697 129 G 3.5684 8.1146 106.7300 47.7191 0.0000 175.3978 130 A 3.8007 8.1473 123.8406 55.1003 18.3935 179.4141 131 M 4.0180 8.4783 117.0153 58.8605 32.2296 178.1086 132 N 4.3745 8.5536 117.0734 56.2358 38.6255 177.5556 133 K 3.8894 8.0348 119.6318 59.3570 32.1600 179.2498 134 A 3.8672 8.0077 121.2042 55.2270 18.2492 179.6753 135 L 4.2242 8.2545 117.4283 57.4555 41.6654 179.3041 136 E 3.9294 8.5210 119.9140 59.0305 29.6221 178.3915 137 L 3.9623 8.2776 120.8182 58.1859 42.0585 178.4796 138 F 4.2666 8.3507 120.4065 61.6914 39.2821 177.2568 139 R 3.4704 8.1083 117.4095 59.0778 29.7921 179.0509 140 K 3.8951 8.2151 119.4688 59.5413 32.1955 178.6528 141 D 4.3642 8.2117 119.2346 57.1222 40.7931 178.6867 142 I 3.6395 7.8020 120.4853 64.4004 37.0494 178.3620 143 A 3.8784 8.0334 121.3167 54.8772 17.7015 179.4580 144 A 3.9622 8.2096 119.5292 55.1825 18.1942 180.0536 145 K 3.9587 7.8798 115.8511 59.9545 32.5216 178.5894 146 Y 4.1432 8.6147 117.3713 61.3088 37.9110 179.1287 147 K 4.0969 8.1846 119.0603 59.7048 31.9445 179.0931 148 E 4.0762 7.8789 119.5604 59.7558 29.4896 179.2590 149 L 4.3454 7.6132 119.5573 56.5966 41.3980 180.1152 150 G 4.1450 7.9687 108.7314 46.7666 0.0000 174.3907 *151 Y 4.0189 7.6128 121.0107 58.2916 37.6057 181.7253 152 Q 3.7017 8.9719 123.2692 55.0145 25.5069 170.8724 153 G 3.7312 7.7169 113.5444 46.3159 0.0000 172.6740 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 0 M 8.29 4.46 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 1 V 8.16 4.32 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 0.78 0.00 0.00 0.97 0.00 0.00 2 L 8.17 4.67 0.00 0.67 0.81 0.47 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.78 4.49 0.00 4.05 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 4 E 8.89 4.23 0.00 2.20 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 2.44 2.52 0.00 5 G 8.27 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 0.00 0.00 0.00 6 E 8.14 3.95 0.00 2.12 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 2.22 2.27 0.00 7 W 8.40 4.40 0.00 3.57 3.18 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 8 Q 8.73 4.18 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 9 L 7.94 4.06 0.00 1.93 1.76 0.89 0.80 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 10 V 7.97 3.78 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 1.24 0.00 0.00 0.95 0.00 0.00 11 L 8.38 4.26 0.00 1.87 1.80 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.81 4.19 0.00 3.40 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.05 3.76 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 1.04 0.00 0.00 0.78 0.00 0.00 14 W 8.45 3.75 0.00 3.69 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 15 A 8.01 4.02 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 16 K 7.42 3.91 0.00 1.70 1.51 0.00 1.52 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.32 1.43 7.81 17 V 7.00 2.70 0.78 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 0.02 0.00 0.00 -0.01 0.00 0.00 18 E 7.51 4.02 0.00 2.07 1.94 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 2.34 2.36 0.00 19 A 7.44 4.27 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 20 D 7.69 4.66 0.00 2.71 2.51 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 21 V 7.94 3.49 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 1.06 0.00 0.00 0.91 0.00 0.00 22 A 8.05 4.06 1.31 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 23 G 8.37 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.18 4.08 0.00 3.26 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.30 3.55 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 0.00 0.00 0.00 26 Q 8.18 3.90 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 27 D 8.00 4.31 0.00 2.79 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 28 I 7.93 3.64 1.79 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 1.49 0.72 0.86 0.00 0.00 29 L 7.81 3.30 0.00 1.45 0.99 0.75 0.34 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 30 I 7.69 3.65 1.88 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 1.42 0.74 0.90 0.00 0.00 31 R 7.90 3.79 0.00 1.95 2.09 0.00 3.05 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 L 7.92 3.87 0.00 1.60 1.41 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.10 4.58 0.00 3.02 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 34 K 8.29 4.06 0.00 1.67 1.84 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.62 7.81 35 S 8.14 4.19 0.00 3.90 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 36 H 8.62 5.27 0.00 3.05 2.90 0.00 5.63 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 5.17 0.00 2.26 2.32 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 38 E 8.21 4.07 0.00 2.23 2.28 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 2.38 2.41 0.00 39 T 8.22 3.93 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 0.75 0.00 0.00 40 L 7.97 4.14 0.00 1.94 1.72 0.84 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.06 4.00 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 42 K 7.57 4.07 0.00 1.60 1.64 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.44 7.81 43 F 7.86 5.06 0.00 3.41 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 44 D 8.79 4.36 0.00 2.64 2.75 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 45 R 7.56 4.19 0.00 1.37 1.14 0.00 3.14 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 46 F 8.00 5.04 0.00 2.96 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 47 K 8.22 4.04 0.00 1.89 2.25 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.47 7.81 48 H 8.13 4.44 0.00 3.30 3.46 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.81 4.31 0.00 1.55 1.62 0.96 1.08 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 50 K 9.70 4.34 0.00 1.82 1.82 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 51 T 7.63 4.44 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 1.21 0.00 0.00 52 E 8.63 3.93 0.00 2.06 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 2.37 2.38 0.00 53 A 8.08 3.97 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 54 E 7.88 3.96 0.00 2.18 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 2.37 2.37 0.00 55 M 8.05 4.26 0.00 2.14 2.25 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 2.86 2.64 0.00 56 K 8.46 4.02 0.00 1.90 1.87 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.45 7.81 57 A 7.60 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.35 4.25 0.00 3.99 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 59 E 8.95 4.05 0.00 2.15 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 2.40 2.50 0.00 60 D 8.20 4.46 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.32 4.08 0.00 1.83 1.73 1.03 0.57 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 62 K 8.02 3.90 0.00 2.03 1.83 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 63 K 8.44 4.04 0.00 1.99 1.91 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.73 7.81 64 H 8.80 4.42 0.00 3.67 3.58 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.44 3.61 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 0.00 0.00 0.00 66 V 7.77 3.62 2.25 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 1.11 0.00 0.00 0.94 0.00 0.00 67 T 7.72 3.84 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 68 V 7.87 3.60 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 1.07 0.00 0.00 0.90 0.00 0.00 69 L 7.94 4.31 0.00 1.83 1.88 0.88 0.90 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 70 T 8.34 4.10 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 71 G 8.24 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 72 L 8.17 3.68 0.00 1.64 1.59 0.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.32 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 0.00 0.00 0.00 74 A 7.50 3.94 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 75 I 7.31 3.75 1.72 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 1.50 1.10 0.81 0.00 0.00 76 L 7.75 3.94 0.00 1.23 1.51 -0.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.75 3.88 0.00 1.82 1.79 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.47 7.81 78 K 7.74 3.92 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.59 1.78 7.81 79 K 8.32 2.00 0.00 1.14 0.74 0.00 1.37 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.66 1.06 7.81 80 G 7.73 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 81 H 7.24 4.55 0.00 3.21 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.34 5.25 0.00 3.26 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 3.96 0.00 2.05 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 2.42 2.36 0.00 84 A 7.95 4.03 1.31 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 85 E 8.19 4.21 0.00 2.08 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 2.35 2.41 0.00 86 L 7.73 4.37 0.00 1.83 1.82 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.09 3.87 0.00 1.90 1.93 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 88 P 0.00 4.24 0.00 2.23 2.13 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 89 L 8.11 4.04 0.00 1.80 1.96 1.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.63 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.45 3.86 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 92 S 8.08 4.14 0.00 4.14 4.33 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 93 H 8.34 4.26 0.00 3.58 3.65 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.00 3.70 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.68 4.17 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 1.18 0.00 0.00 96 K 7.50 4.07 0.00 1.63 1.72 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.38 7.81 *98 K 8.23 4.11 0.00 1.80 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 99 I 7.51 3.97 2.08 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 1.55 1.12 1.08 0.00 0.00 100 P 0.00 4.31 0.00 1.92 1.94 0.00 2.53 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.49 0.00 101 I 7.80 3.38 1.58 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 0.89 0.31 0.70 0.00 0.00 102 K 7.90 3.71 0.00 1.61 1.92 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.35 1.40 7.81 103 Y 7.93 3.94 0.00 3.18 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 0.00 104 L 7.91 4.18 0.00 1.91 1.66 0.86 0.20 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 0.00 105 E 7.82 4.01 0.00 1.98 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 2.28 2.23 0.00 106 F 7.68 4.54 0.00 3.16 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.24 3.79 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.82 1.01 0.00 0.00 108 S 8.37 4.21 0.00 4.12 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 0.00 109 E 8.46 3.99 0.00 2.23 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 2.36 2.40 0.00 110 A 8.10 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.02 3.65 2.12 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 1.62 0.77 1.07 0.00 0.00 112 I 7.93 3.87 2.01 0.00 0.00 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 1.76 1.30 1.14 0.00 0.00 113 H 8.48 4.12 0.00 3.35 3.49 0.00 5.78 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 V 7.96 3.50 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 0.92 0.00 0.00 0.96 0.00 0.00 115 L 7.94 3.75 0.00 0.92 0.23 0.65 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.03 4.40 0.00 3.48 3.57 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.98 4.12 0.00 3.73 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 0.00 118 R 8.02 4.04 0.00 1.55 1.52 0.00 3.14 0.00 0.00 2.87 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 119 H 8.06 5.02 0.00 3.24 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.13 2.12 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 1.96 1.90 0.00 121 G 8.17 3.76 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 0.00 0.00 0.00 122 D 8.08 4.79 0.00 2.83 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 0.00 123 F 8.50 4.60 0.00 2.99 3.18 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 0.00 124 G 7.37 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.47 3.89 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 0.00 126 D 7.86 4.15 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.69 3.94 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 0.00 128 Q 7.72 3.43 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 1.16 1.69 0.00 129 G 8.11 3.57 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 0.00 0.00 0.00 130 A 8.15 3.80 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 0.00 131 M 8.48 4.02 0.00 2.40 2.44 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.93 0.00 132 N 8.55 4.37 0.00 2.99 2.86 0.00 0.00 7.02 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.03 3.89 0.00 1.78 1.69 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.57 7.81 134 A 8.01 3.87 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 0.00 135 L 8.25 4.22 0.00 1.80 1.87 1.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.52 3.93 0.00 2.14 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 0.00 2.31 2.31 0.00 137 L 8.28 3.96 0.00 1.84 1.98 1.06 1.13 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 0.00 138 F 8.35 4.27 0.00 3.13 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 0.00 139 R 8.11 3.47 0.00 1.99 1.83 0.00 3.11 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.88 0.00 140 K 8.22 3.90 0.00 1.79 2.05 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 141 D 8.21 4.36 0.00 2.98 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 0.00 142 I 7.80 3.64 1.61 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 0.99 0.02 0.68 0.00 0.00 143 A 8.03 3.88 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 0.00 144 A 8.21 3.96 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 0.00 145 K 7.88 3.96 0.00 2.04 1.94 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.66 7.81 146 Y 8.61 4.14 0.00 3.05 3.25 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 0.00 147 K 8.18 4.10 0.00 2.00 1.88 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.64 7.81 148 E 7.88 4.08 0.00 2.11 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 2.36 2.61 0.00 149 L 7.61 4.35 0.00 1.77 1.56 0.92 1.00 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 G 7.97 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 *151 Y 7.61 4.02 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.97 3.70 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 153 G 7.72 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 * Residues marked with a * may have inaccurate shift predictions.