NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3625 8.0327 110.9398 61.3182 70.5001 174.2024 3 T 3.7544 8.4907 115.6846 65.1765 67.0303 174.5021 4 S 4.1578 8.8474 117.9560 61.6950 63.3037 175.9070 5 E 3.9963 8.0647 121.0084 59.6477 29.1591 179.1806 6 H 4.4144 8.4690 116.3765 58.9237 28.8302 177.8872 7 I 3.5664 7.6801 120.9162 64.2448 36.9058 178.2584 8 A 3.9776 8.1736 121.3873 55.2310 18.2435 179.5020 9 A 3.9737 8.3737 119.5805 55.3106 18.5594 179.9429 10 L 3.7144 7.7822 117.7381 58.0039 41.6506 179.8325 11 T 3.9694 8.0344 109.5953 64.5957 68.6749 176.5849 12 A 4.0119 8.2425 123.8237 54.8033 18.3087 179.2280 13 L 3.8325 7.9923 118.8801 58.2524 42.0464 179.4028 14 V 3.5955 7.7479 120.1272 66.6396 31.2665 178.3577 15 E 3.1802 7.6989 116.5816 61.2898 29.5974 180.7453 16 T 4.1592 7.7703 115.8564 66.4090 68.5753 175.8937 17 Y 4.4017 7.9033 120.3395 60.8194 38.9204 179.3866 18 V 3.0012 7.0596 107.7202 61.8022 31.3480 176.4560 *20 A 4.0772 7.7691 120.2633 52.4680 20.0981 179.4944 *22 T 4.3113 7.8852 117.4298 65.2303 70.2357 176.3528 23 R 4.0265 7.9792 117.1716 56.1456 30.7285 176.1827 24 G 3.6731 7.8031 105.3819 46.8531 0.0000 175.3407 25 D 4.5412 8.0418 120.4462 52.3969 40.6794 175.1501 26 R 3.7814 8.1733 125.9823 58.6634 30.3879 175.7525 27 P 4.2225 0.0000 0.0000 65.6693 31.3172 178.3139 28 A 3.9862 8.1138 118.8596 55.3187 18.3410 179.7271 29 L 4.2336 7.9588 117.5018 58.1209 41.4533 179.6862 30 E 4.1398 8.5361 118.1115 59.1650 29.3980 179.3410 31 R 4.0864 7.7813 118.0904 59.0090 30.5185 178.5301 32 I 3.8976 7.9957 112.2502 61.3375 38.0357 175.3616 33 F 5.0847 7.5759 119.2183 55.1342 41.1566 175.6346 34 F 4.3451 8.9571 123.9056 57.2550 39.4119 176.8813 35 G 3.7298 8.9627 112.5373 48.6738 0.0000 174.6100 36 K 4.3270 8.1229 116.1029 56.3388 32.3760 176.7298 37 A 4.9650 8.0556 122.0931 51.8785 19.6926 177.0677 38 S 4.9731 8.6017 114.3582 56.5790 67.6237 172.7207 39 E 4.7952 8.7271 123.1923 54.4137 32.0247 174.8250 40 V 4.5593 8.4370 127.0088 60.8413 35.1282 174.5453 41 G 3.0660 7.9012 113.1491 45.9001 0.0000 171.4247 42 H 5.3673 8.4206 117.3511 54.9370 30.2605 174.9762 43 Y 4.6732 9.2473 123.9783 56.8803 41.6640 174.8880 44 E 3.6377 9.7154 127.2821 57.3661 28.3047 175.7449 45 G 3.9725 8.1645 103.3934 46.3724 0.0000 172.4140 46 E 4.8122 7.9030 118.5336 53.9561 32.8292 174.5530 47 L 4.6695 8.5234 123.4020 54.8132 43.1422 175.5008 48 L 4.7378 9.2582 129.1340 53.1481 44.4027 174.6902 49 W 4.5837 9.0419 135.0000 55.8217 32.0452 173.6700 50 N 5.1716 9.0690 125.4238 51.4817 40.4839 175.6724 51 S 4.8433 8.5844 117.0210 57.3922 64.8070 175.0846 52 R 3.8068 8.3016 119.1732 59.7335 29.5269 177.8643 53 D 4.3001 8.1775 116.9128 57.4141 41.0106 177.9721 54 A 3.9765 7.8216 120.0739 54.9602 18.4350 179.1134 55 F 4.1896 8.1885 118.3745 61.5184 39.7570 177.0668 56 I 3.2595 7.9592 119.5427 63.9429 36.7556 178.8599 57 A 4.5568 7.8165 120.9081 52.3188 18.4685 178.9606 *59 C 4.4551 8.0403 119.7743 61.4573 30.0641 176.3199 60 E 3.9389 8.2366 118.9526 59.5665 29.2469 179.1365 61 D 4.2708 8.2757 117.3224 56.9940 40.8593 177.2349 62 A 4.3564 7.9202 118.0540 51.3382 19.4172 176.6830 63 A 4.1668 7.2571 119.0920 53.0290 18.8119 177.2883 64 D 4.5408 8.7817 120.4723 52.6949 43.7982 175.3780 65 A 4.2053 8.8760 131.5992 54.1397 19.0376 177.8953 66 E 4.5527 7.6913 109.2432 56.6654 31.9472 182.7627 67 T 3.9022 7.9696 116.7505 64.5513 68.9325 174.0106 68 D 4.8004 8.4945 125.3430 50.7057 40.2103 172.5740 69 P 4.5078 0.0000 0.0000 61.8650 32.2298 175.3814 *70 F 4.8889 8.6144 122.9934 56.5253 40.5747 174.3146 71 W 5.6850 8.4036 121.4183 56.1022 31.0529 173.3957 72 A 4.4604 9.3029 120.9919 50.9594 22.6112 175.3549 73 I 4.5371 8.3288 122.1678 60.7338 37.7099 175.9370 74 S 4.5943 9.2378 124.6810 60.7964 63.7296 174.8044 75 S 4.7150 7.6678 111.5283 57.2838 66.1602 173.7286 76 V 4.6425 8.1847 120.2578 61.4611 34.4012 174.5222 77 S 4.8089 8.5917 122.6158 56.7153 66.8045 173.0675 78 V 4.8516 8.2728 122.3832 61.3850 34.8261 174.8222 79 Q 4.3725 9.1224 126.2096 54.8175 32.2716 176.2347 80 G 3.7875 8.3487 115.1851 47.0712 0.0000 172.5758 81 D 4.6430 8.8159 124.3612 52.4374 39.5325 175.0196 82 I 5.3437 8.0453 112.9220 60.1700 41.0511 174.7695 83 A 5.1862 8.6212 123.6586 51.0174 22.5384 174.5863 *85 L 4.4313 8.4446 112.9539 55.1888 43.8890 175.6953 86 H 5.5808 9.1925 122.9397 54.6736 32.2215 172.7820 87 V 4.9883 9.1278 126.3290 61.1984 34.5723 173.8982 88 E 5.1722 9.6348 127.5609 55.3746 31.4365 174.7055 89 N 5.5495 9.2642 121.6587 52.6100 43.0595 172.5926 90 D 5.4481 8.9179 125.6431 53.0013 42.5836 176.1602 91 W 4.9033 9.1104 131.2435 57.4117 33.7904 173.9560 92 A 3.2386 9.0099 128.5801 53.0970 15.7719 176.1695 93 G 3.5046 7.8783 101.5406 47.3638 0.0000 174.5795 *95 R 4.5717 7.5442 117.7111 56.1456 32.0059 174.5582 96 F 5.4870 9.6421 124.4957 55.8659 43.1826 173.8425 97 D 5.5051 9.1286 121.3460 52.9072 43.1595 174.9031 98 D 5.4718 9.5697 124.2483 52.5571 43.7409 175.3783 99 F 5.5743 9.5682 122.7455 56.1114 41.0316 174.4056 100 L 5.1365 8.8783 124.6974 53.1937 43.7802 176.3050 101 T 4.7718 8.6544 119.6862 61.8204 71.2133 173.6216 102 V 5.0253 9.0623 125.4610 61.0155 35.6143 173.7606 103 L 5.2690 9.1433 127.4981 53.1937 45.4000 175.0809 104 L 3.9894 8.4133 129.2447 54.1881 42.4231 175.3578 105 H 4.7110 8.8250 126.9348 55.3600 32.4467 173.2895 106 E 3.8824 9.7730 127.1718 57.4898 26.8233 175.7448 107 G 3.9491 8.5088 105.2049 45.1182 0.0000 173.4692 108 S 4.7358 7.5923 113.4332 56.1103 66.8040 173.1866 109 W 4.9076 8.8006 121.8509 56.3556 29.7945 175.9758 110 R 4.7240 9.1039 123.3789 54.1272 34.1958 174.6604 111 I 4.1312 8.6491 124.0040 61.5445 37.8745 176.9483 112 V 4.1785 9.1066 127.7967 65.0167 33.0048 175.7293 113 S 5.0664 7.6646 112.4279 56.9816 66.5401 173.5027 114 K 4.8989 9.0253 122.6997 54.8377 35.0364 175.0178 115 V 4.9139 8.9518 128.2876 60.0697 33.9528 174.4128 116 Y 5.4658 8.1934 121.0715 55.5500 41.6789 174.2604 117 R 4.7917 8.9875 115.1248 54.7005 33.3899 173.8362 118 I 4.3253 8.2632 121.6528 59.7453 38.7312 175.9183 119 R 4.1523 8.5641 125.5173 56.4572 29.5488 176.5576 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.03 4.36 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 1.22 0.00 0.00 3 T 8.49 3.75 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 1.24 0.00 0.00 4 S 8.85 4.16 0.00 3.92 3.90 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 5 E 8.06 4.00 0.00 2.19 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 2.36 0.00 6 H 8.47 4.41 0.00 3.44 3.52 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.68 3.57 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.87 0.00 0.00 8 A 8.17 3.98 1.38 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 9 A 8.37 3.97 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.78 3.71 0.00 1.58 1.42 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.03 3.97 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 1.26 0.00 0.00 12 A 8.24 4.01 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 13 L 7.99 3.83 0.00 1.89 1.84 0.89 0.64 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 14 V 7.75 3.60 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 0.96 0.00 0.00 0.92 0.00 0.00 15 E 7.70 3.18 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 16 T 7.77 4.16 4.39 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 1.22 0.00 0.00 17 Y 7.90 4.40 0.00 2.83 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 18 V 7.06 3.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 -0.28 0.00 0.00 *20 A 7.77 4.08 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 *22 T 7.89 4.31 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 1.22 0.00 0.00 23 R 7.98 4.03 0.00 1.76 1.95 0.00 3.48 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 24 G 7.80 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 25 D 8.04 4.54 0.00 2.68 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 26 R 8.17 3.78 0.00 2.01 1.88 0.00 3.23 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 27 P 0.00 4.22 0.00 2.19 2.10 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 28 A 8.11 3.99 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 29 L 7.96 4.23 0.00 1.85 1.81 0.67 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.54 4.14 0.00 1.92 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 2.38 2.53 0.00 31 R 7.78 4.09 0.00 1.97 1.97 0.00 3.15 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 32 I 8.00 3.90 1.76 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.90 0.94 0.00 0.00 33 F 7.58 5.08 0.00 3.19 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 34 F 8.96 4.35 0.00 3.16 2.98 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 35 G 8.96 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 36 K 8.12 4.33 0.00 1.78 1.88 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.47 7.81 37 A 8.06 4.96 1.65 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 38 S 8.60 4.97 0.00 3.65 3.35 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 39 E 8.73 4.80 0.00 1.37 1.55 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 2.24 1.94 0.00 40 V 8.44 4.56 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 0.46 0.00 0.00 -0.76 0.00 0.00 41 G 7.90 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 0.00 0.00 0.00 42 H 8.42 5.37 0.00 3.04 3.27 0.00 5.84 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 43 Y 9.25 4.67 0.00 3.21 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 44 E 9.72 3.64 0.00 2.12 1.76 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 2.06 2.33 0.00 45 G 8.16 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.90 4.81 0.00 2.16 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 0.00 2.26 2.26 0.00 47 L 8.52 4.67 0.00 1.75 1.68 0.88 1.05 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 48 L 9.26 4.74 0.00 1.90 1.77 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 49 W 9.04 4.58 0.00 3.53 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 50 N 9.07 5.17 0.00 2.77 2.75 0.00 0.00 6.57 7.45 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 51 S 8.58 4.84 0.00 4.07 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 52 R 8.30 3.81 0.00 1.99 2.02 0.00 3.23 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 53 D 8.18 4.30 0.00 2.84 2.67 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 54 A 7.82 3.98 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 55 F 8.19 4.19 0.00 2.74 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 56 I 7.96 3.26 1.86 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 1.19 0.40 0.77 0.00 0.00 57 A 7.82 4.56 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 *59 C 8.04 4.46 0.00 2.84 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 60 E 8.24 3.94 0.00 2.16 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 2.35 0.00 61 D 8.28 4.27 0.00 2.70 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 62 A 7.92 4.36 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 63 A 7.26 4.17 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 64 D 8.78 4.54 0.00 2.51 2.48 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 65 A 8.88 4.21 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 66 E 7.69 4.55 0.00 2.02 1.84 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 2.16 2.11 0.00 67 T 7.97 3.90 4.26 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 1.23 0.00 0.00 68 D 8.49 4.80 0.00 2.69 2.48 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 69 P 0.00 4.51 0.00 2.32 2.14 0.00 3.80 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 2.14 1.96 0.00 *70 F 8.61 4.89 0.00 2.53 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 W 8.40 5.68 0.00 3.65 3.24 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 72 A 9.30 4.46 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 73 I 8.33 4.54 1.94 0.00 0.00 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 1.57 0.98 1.01 0.00 0.00 74 S 9.24 4.59 0.00 3.56 3.90 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 75 S 7.67 4.71 0.00 3.84 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 76 V 8.18 4.64 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 0.69 0.00 0.00 0.89 0.00 0.00 77 S 8.59 4.81 0.00 3.69 3.63 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 78 V 8.27 4.85 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 0.95 0.00 0.00 0.75 0.00 0.00 79 Q 9.12 4.37 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.60 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 80 G 8.35 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 81 D 8.82 4.64 0.00 2.81 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 82 I 8.05 5.34 1.94 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 1.37 1.19 0.95 0.00 0.00 83 A 8.62 5.19 0.92 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 *85 L 8.44 4.43 0.00 1.59 1.61 0.76 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 86 H 9.19 5.58 0.00 3.26 3.22 0.00 5.54 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 9.13 4.99 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 1.07 0.00 0.00 1.02 0.00 0.00 88 E 9.63 5.17 0.00 2.03 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 2.51 2.27 0.00 89 N 9.26 5.55 0.00 2.99 2.70 0.00 0.00 6.85 7.77 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 90 D 8.92 5.45 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 9.11 4.90 0.00 2.97 2.83 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 92 A 9.01 3.24 0.42 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 93 G 7.88 3.50 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 *95 R 7.54 4.57 0.00 2.00 1.89 0.00 3.17 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 96 F 9.64 5.49 0.00 3.15 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 97 D 9.13 5.51 0.00 2.47 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 98 D 9.57 5.47 0.00 2.76 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 99 F 9.57 5.57 0.00 2.86 2.70 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 0.00 100 L 8.88 5.14 0.00 1.36 1.36 0.44 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.65 4.77 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 1.22 0.00 0.00 102 V 9.06 5.03 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 1.26 0.00 0.00 0.83 0.00 0.00 103 L 9.14 5.27 0.00 1.86 1.73 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.41 3.99 0.00 0.27 0.69 0.12 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.82 4.71 0.00 3.32 3.26 0.00 5.98 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 9.77 3.88 0.00 1.98 1.87 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 1.68 2.07 0.00 107 G 8.51 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 0.00 108 S 7.59 4.74 0.00 3.88 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 0.00 109 W 8.80 4.91 0.00 3.18 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 0.00 110 R 9.10 4.72 0.00 0.86 1.06 0.00 2.84 0.00 0.00 2.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.34 0.00 111 I 8.65 4.13 0.81 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.20 0.67 0.00 0.00 112 V 9.11 4.18 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 0.94 0.00 0.00 0.97 0.00 0.00 113 S 7.66 5.07 0.00 3.80 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 0.00 114 K 9.03 4.90 0.00 1.76 1.52 0.00 1.48 0.00 0.00 1.22 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.29 1.29 7.81 115 V 8.95 4.91 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 0.92 0.00 0.00 0.81 0.00 0.00 116 Y 8.19 5.47 0.00 3.20 3.06 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 0.00 117 R 8.99 4.79 0.00 1.88 1.91 0.00 2.78 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 118 I 8.26 4.33 1.77 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 0.19 0.65 0.60 0.00 0.00 119 R 8.56 4.15 0.00 1.66 1.83 0.00 3.23 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.