NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0797 8.1545 117.9050 61.1405 33.3634 176.0771 *2 H 4.6705 8.3401 117.0418 52.9090 27.5803 172.5752 3 L 4.6840 7.5146 124.5401 53.1568 44.4586 177.3029 4 T 4.2045 8.6550 113.3119 60.7139 70.9675 174.0951 5 P 4.2265 0.0000 0.0000 65.7961 31.2138 178.8681 6 E 3.9556 8.0666 116.8744 59.4397 29.3678 179.0867 7 E 3.8900 8.1442 118.6759 59.2072 29.4262 179.3362 8 K 3.8414 8.1403 119.7000 59.5234 32.2661 179.0865 9 S 4.0727 8.0560 115.2299 61.4465 62.8622 176.5156 10 A 3.9821 8.1831 123.6485 55.0885 18.0887 179.8781 11 V 3.4020 7.9724 117.2914 66.3913 31.6062 178.4591 12 T 3.9967 8.1835 109.4721 64.5343 68.3482 176.4692 13 A 3.9909 7.9251 123.0567 54.9746 18.6763 179.0697 14 L 3.8927 7.9089 118.4794 58.0361 42.2320 178.9676 15 W 4.2900 8.8652 128.5815 60.3060 30.4117 177.9484 16 G 3.8463 8.2657 104.6491 46.5206 0.0000 174.0923 17 K 4.4491 7.8834 118.7059 56.0393 32.8901 176.4525 18 V 3.5463 7.3971 120.6382 61.7130 31.9152 174.8332 19 N 4.2056 8.3987 125.8979 53.5755 38.5804 175.2600 20 V 3.5604 8.2922 126.7521 65.6725 31.7401 176.5293 21 D 4.6516 8.2123 117.7990 55.0184 41.5657 176.7958 22 E 4.4429 8.0270 117.0748 57.2817 32.4048 177.9690 23 V 3.5483 7.6949 117.8295 66.0647 31.2601 178.3110 24 G 3.7513 8.0502 104.8923 47.8461 0.0000 175.7834 25 G 3.5915 7.9952 107.7315 47.3288 0.0000 175.8799 26 K 3.9667 8.2059 120.6195 59.0635 32.0057 179.3918 27 A 3.9104 8.0533 121.0493 55.0666 18.3809 179.3888 28 L 3.9757 8.1834 119.2327 58.1791 42.1283 179.3712 29 G 3.5577 8.4054 105.9946 48.0523 0.0000 175.9246 30 R 3.8994 8.1197 120.9895 58.4694 29.9461 178.9310 31 L 4.0408 7.9884 120.3686 58.3416 41.7723 179.1834 32 L 4.0353 7.8675 120.0681 56.7659 41.2049 179.5942 33 V 3.6637 7.2727 117.5425 65.5868 31.7872 177.9920 34 V 3.5040 8.0737 117.1652 64.2993 32.7773 175.6187 35 Y 4.0327 7.2574 115.6510 54.1319 38.0192 173.9104 36 P 4.3199 0.0000 0.0000 65.0232 32.0314 177.7922 37 W 4.3596 8.2200 114.9778 59.6056 27.7111 178.0998 38 T 4.3191 7.6615 110.6187 64.4465 68.0865 176.3752 39 Q 4.1928 8.2967 121.3778 58.7236 28.4117 178.3812 40 R 3.8569 7.8488 119.0533 58.9178 30.0996 177.6026 41 F 4.2737 7.8459 114.9993 57.6348 39.9471 175.2802 42 F 4.8066 8.0953 117.6815 56.6719 39.5613 176.5119 43 E 4.1221 8.1473 122.4416 59.3195 30.0300 179.9624 44 S 4.3804 8.1868 111.7647 60.4236 63.3567 175.1204 45 F 4.2836 8.0914 119.3282 58.9402 39.7962 175.8746 46 G 3.9791 7.6262 106.4886 44.3943 0.0000 175.7652 47 D 4.6094 8.5792 128.3126 53.7462 40.5318 175.6761 48 L 4.9515 8.1374 129.9164 54.4804 42.9587 178.2834 49 S 4.4029 7.9643 114.2667 60.3283 63.8654 174.5765 50 T 4.7341 7.4120 109.9119 58.1997 72.9974 172.6434 51 P 4.1872 0.0000 0.0000 66.1284 31.3721 178.7113 52 D 4.3096 8.0782 116.7458 57.2378 40.5408 178.5675 53 A 3.9856 7.7559 120.4268 54.9854 18.7943 179.6201 54 V 3.6739 8.0105 116.8987 66.6364 31.4963 178.3270 55 M 4.2041 8.1413 117.0777 57.6655 31.8517 178.0744 56 G 3.9763 7.7933 103.4113 43.6162 0.0000 173.3855 57 N 4.4101 7.4993 121.0865 52.9687 39.4815 173.7323 58 P 4.2684 0.0000 0.0000 65.7242 31.3569 178.8208 59 K 3.7883 8.4368 117.3353 58.9973 31.7295 179.6914 60 V 3.7990 7.9342 118.4840 65.7032 31.4509 177.8916 61 K 3.9051 8.0847 119.2004 59.4177 32.0620 178.6764 62 A 3.9781 8.2381 121.3762 55.5630 18.3246 179.1575 63 H 4.3711 8.7303 117.2369 59.3220 29.8965 177.6002 64 G 3.7472 8.6111 108.0372 47.6816 0.0000 175.7518 65 K 4.0079 7.9231 120.4150 59.4053 32.0915 179.5014 66 K 4.0139 7.6872 118.1732 59.3565 32.0325 179.5613 67 V 3.6740 7.8284 118.5367 66.0724 31.4481 177.8361 68 L 4.5023 8.4995 120.4816 58.2902 41.8495 179.0894 69 G 3.7711 8.6152 105.8433 47.7869 0.0000 175.5735 70 A 3.9606 8.1416 123.0390 55.0240 18.4560 179.7237 71 F 4.0275 8.4270 116.2371 60.6917 38.9411 177.8212 72 S 4.0257 8.7829 113.2207 61.5470 62.0256 175.9817 73 D 4.4508 8.1990 120.8821 57.2098 40.9243 178.6658 74 G 3.8456 8.2194 106.4065 47.9116 0.0000 175.8166 75 L 3.9195 7.7168 120.0653 57.1517 41.6071 179.0476 76 A 4.1326 7.4813 119.1587 53.8352 19.9349 177.5979 77 H 4.8753 7.7637 113.9810 54.4663 29.9655 174.4207 78 L 4.0327 7.8072 119.8266 56.9980 42.1484 178.1817 79 D 4.7484 7.9468 116.3345 53.3485 40.2270 176.3555 80 N 4.9972 8.1271 119.7381 51.4915 39.4421 176.1924 81 L 4.1803 8.1890 120.1387 57.7884 41.8002 179.0138 82 K 4.0645 8.0415 117.2766 59.4751 32.1389 179.1756 83 G 3.7005 8.1041 105.4951 48.0210 0.0000 175.8058 84 T 3.7510 7.8255 117.2342 65.7574 68.6945 175.8177 85 F 4.5083 8.1471 117.2429 57.0136 39.2633 177.2741 86 A 3.9869 7.4726 122.8106 55.9128 18.2547 180.4261 87 T 3.8122 7.7840 113.1244 66.8513 68.5471 176.8516 88 L 4.0873 7.8762 120.3803 57.6568 41.6171 179.3303 89 S 4.1630 8.5912 114.8466 60.9284 62.4147 176.0738 90 E 4.1388 7.9644 122.1961 58.6199 29.1287 179.0943 91 L 3.8945 7.7237 119.9931 58.7335 42.2741 178.9117 92 H 4.3416 8.6041 116.2967 59.0740 28.5031 176.9116 93 C 4.6029 8.4050 120.5054 61.6530 28.1262 175.7654 94 D 4.2691 7.6939 119.9539 57.2344 40.4133 177.5888 95 K 4.3310 7.6366 117.4316 58.2836 32.7569 177.9976 96 L 4.1673 8.7235 122.2177 56.2533 42.3364 177.1233 97 H 4.4829 8.0378 113.5459 55.5978 26.1054 175.2424 98 V 3.7338 8.2535 118.7771 62.0954 32.3378 175.0034 99 D 4.2787 8.6620 126.8999 53.6058 41.8379 174.8394 100 P 3.6608 0.0000 0.0000 65.7285 31.8269 177.9283 101 E 3.8635 7.9325 117.3071 59.5028 29.3560 178.7345 102 N 4.3887 8.0061 116.2372 55.9566 38.6002 177.4040 103 F 4.5539 7.8676 119.9091 60.5702 38.9953 177.6207 104 R 4.0248 8.0646 117.9793 59.2399 29.8958 178.3694 105 L 3.9183 7.8509 118.9218 57.7662 41.5250 179.2585 106 L 4.1491 8.1854 120.3757 58.0615 42.0061 179.1836 107 G 3.7643 8.2103 105.4048 48.0993 0.0000 175.4942 108 N 4.5216 8.4658 118.9552 55.8072 38.4518 177.8212 109 V 3.6669 8.1095 120.1933 65.7169 31.5760 177.8021 110 L 3.8271 8.2103 120.4885 58.1168 41.8992 179.1371 111 V 3.4674 7.7141 118.1818 66.1670 31.3595 177.8312 112 C 4.0979 8.0747 116.5179 62.7349 27.9237 176.2528 113 V 3.4954 7.9258 120.0566 65.8304 30.9810 178.1515 114 L 3.8262 7.8043 118.6526 57.4971 41.3502 179.3007 115 A 3.7030 7.2566 120.6404 55.2373 18.0906 179.1170 116 H 4.0878 8.0482 115.8259 59.7177 30.0045 176.7130 117 H 4.0211 7.9645 118.7795 58.8494 29.9531 176.5998 118 F 4.5074 8.4589 118.4216 57.1096 39.5547 177.0984 119 G 3.8067 8.8426 108.3595 46.1018 0.0000 177.3626 120 K 4.0907 8.8454 122.6855 59.0369 32.5036 177.8884 121 E 4.0506 7.9772 119.9355 58.5588 30.0945 177.0391 122 F 4.4988 8.0814 123.3432 56.9005 37.8835 175.1733 123 T 4.1266 7.2714 115.4904 60.5030 71.1729 173.4558 124 P 4.1673 0.0000 0.0000 65.5093 31.4573 177.2942 125 P 4.1882 0.0000 0.0000 65.3189 31.2546 178.8954 126 V 3.5347 7.4386 117.4108 65.8127 31.3154 177.8789 127 Q 3.6186 7.9691 119.5254 58.9832 28.6801 177.9452 128 A 3.9677 8.2257 121.8466 55.2241 18.4376 179.5342 129 A 3.9012 7.8830 118.7431 55.5980 18.4146 179.5719 130 Y 3.9064 8.1241 115.1949 61.1181 37.9116 178.7384 131 Q 4.1561 8.5710 119.5135 58.7651 28.7212 178.8497 132 K 4.0206 7.8649 119.7264 59.2122 31.9831 179.5620 133 V 3.5403 7.5369 118.0008 66.2983 31.4910 178.6776 134 V 3.8589 8.3780 112.1898 64.1681 31.3450 178.5528 135 A 4.1208 8.2789 121.0967 55.0067 18.1567 179.9358 136 G 3.4982 8.2813 104.4164 47.8221 0.0000 176.1894 137 V 2.9641 7.9753 120.7381 65.4033 31.6196 177.9383 138 A 3.7599 8.0129 120.6505 55.1494 17.9957 179.1544 139 N 4.3172 8.0109 114.2414 56.7257 39.4424 176.6755 140 A 4.0410 7.9891 122.3588 55.1639 17.9409 179.6767 141 L 3.6742 7.7459 117.2771 56.8344 41.3707 178.4596 142 A 4.7678 7.4219 118.7785 52.1037 19.1093 178.0061 143 H 4.0352 7.8443 120.4211 59.7064 29.9493 177.0450 144 K 4.1118 7.6582 115.4555 57.7330 32.0092 176.7961 145 Y 4.8285 8.1235 116.8847 58.0594 39.2831 175.6859 146 H 4.6845 8.0549 122.2385 55.8617 29.0283 174.3230 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 1 V 8.15 4.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 *2 H 8.34 4.67 0.00 2.97 2.87 0.00 7.16 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.51 4.68 0.00 1.54 1.55 0.86 0.83 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 4 T 8.66 4.20 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 1.23 0.00 0.00 5 P 0.00 4.23 0.00 2.16 2.13 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 E 8.07 3.96 0.00 2.03 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 2.38 2.45 0.00 7 E 8.14 3.89 0.00 2.21 1.92 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 2.28 2.28 0.00 8 K 8.14 3.84 0.00 1.77 1.89 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 9 S 8.06 4.07 0.00 4.08 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 10 A 8.18 3.98 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 11 V 7.97 3.40 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 0.51 0.00 0.00 0.51 0.00 0.00 12 T 8.18 4.00 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 1.22 0.00 0.00 13 A 7.93 3.99 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 14 L 7.91 3.89 0.00 1.83 1.94 -0.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.87 4.29 0.00 3.80 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 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 17 K 7.88 4.45 0.00 2.17 2.11 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.59 7.81 18 V 7.40 3.55 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 0.06 0.00 0.00 0.76 0.00 0.00 19 N 8.40 4.21 0.00 2.58 2.53 0.00 0.00 6.82 7.71 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 20 V 8.29 3.56 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 21 D 8.21 4.65 0.00 2.80 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 22 E 8.03 4.44 0.00 1.86 1.83 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 2.22 2.18 0.00 23 V 7.69 3.55 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 0.81 0.00 0.00 0.68 0.00 0.00 24 G 8.05 3.75 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 0.00 0.00 0.00 25 G 8.00 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 26 K 8.21 3.97 0.00 1.90 1.80 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.52 7.81 27 A 8.05 3.91 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 28 L 8.18 3.98 0.00 1.81 1.71 0.71 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.41 3.56 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 0.00 0.00 0.00 30 R 8.12 3.90 0.00 2.02 1.92 0.00 3.07 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 31 L 7.99 4.04 0.00 1.90 1.90 1.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.87 4.04 0.00 1.83 1.65 0.69 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.27 3.66 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 0.71 0.00 0.00 0.89 0.00 0.00 34 V 8.07 3.50 1.45 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 -0.13 0.00 0.00 0.75 0.00 0.00 35 Y 7.26 4.03 0.00 2.55 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 36 P 0.00 4.32 0.00 2.25 2.15 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 37 W 8.22 4.36 0.00 3.60 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 38 T 7.66 4.32 4.41 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 1.02 0.00 0.00 39 Q 8.30 4.19 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 40 R 7.85 3.86 0.00 1.84 1.78 0.00 3.17 0.00 0.00 3.01 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.00 41 F 7.85 4.27 0.00 2.74 2.37 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 42 F 8.10 4.81 0.00 2.81 2.18 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 43 E 8.15 4.12 0.00 2.07 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 2.41 2.44 0.00 44 S 8.19 4.38 0.00 4.09 4.12 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 45 F 8.09 4.28 0.00 3.28 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 46 G 7.63 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 47 D 8.58 4.61 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.14 4.95 0.00 1.65 1.61 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.96 4.40 0.00 4.03 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 50 T 7.41 4.73 4.23 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 1.21 0.00 0.00 51 P 0.00 4.19 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 52 D 8.08 4.31 0.00 2.71 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 53 A 7.76 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.01 3.67 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 55 M 8.14 4.20 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.92 0.00 56 G 7.79 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 57 N 7.50 4.41 0.00 3.00 2.85 0.00 0.00 7.10 7.17 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 58 P 0.00 4.27 0.00 2.15 2.06 0.00 3.63 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 59 K 8.44 3.79 0.00 1.71 0.75 0.00 1.63 0.00 0.00 1.02 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.26 7.81 60 V 7.93 3.80 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 1.09 0.00 0.00 1.04 0.00 0.00 61 K 8.08 3.91 0.00 1.88 1.94 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 62 A 8.24 3.98 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 63 H 8.73 4.37 0.00 3.64 3.64 0.00 5.80 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 64 G 8.61 3.75 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 0.00 0.00 0.00 65 K 7.92 4.01 0.00 2.05 1.91 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.71 1.49 7.81 66 K 7.69 4.01 0.00 2.05 1.92 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.69 7.81 67 V 7.83 3.67 2.38 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 1.31 0.00 0.00 0.98 0.00 0.00 68 L 8.50 4.50 0.00 2.03 1.94 0.93 1.25 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 69 G 8.62 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 70 A 8.14 3.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.43 4.03 0.00 3.57 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 72 S 8.78 4.03 0.00 4.38 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.20 4.45 0.00 2.63 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 74 G 8.22 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 75 L 7.72 3.92 0.00 1.55 1.51 -0.39 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.48 4.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.76 4.88 0.00 3.14 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.81 4.03 0.00 1.59 1.70 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.95 4.75 0.00 2.77 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 80 N 8.13 5.00 0.00 2.75 2.68 0.00 0.00 7.18 6.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.19 4.18 0.00 1.76 1.82 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.04 4.06 0.00 1.67 1.76 0.00 1.66 0.00 0.00 1.41 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.43 7.81 83 G 8.10 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 0.00 0.00 0.00 0.00 84 T 7.83 3.75 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 0.64 0.00 0.00 85 F 8.15 4.51 0.00 3.08 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 86 A 7.47 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.78 3.81 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 1.20 0.00 0.00 88 L 7.88 4.09 0.00 1.94 1.78 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.59 4.16 0.00 3.88 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.96 4.14 0.00 2.21 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 0.00 2.28 2.41 0.00 91 L 7.72 3.89 0.00 1.79 1.89 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.60 4.34 0.00 3.34 3.67 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.40 4.60 0.00 2.65 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.69 4.27 0.00 2.81 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 95 K 7.64 4.33 0.00 1.97 1.77 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.59 7.81 96 L 8.72 4.17 0.00 1.76 1.82 0.75 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.04 4.48 0.00 3.39 3.50 0.00 5.94 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.25 3.73 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 0.23 0.00 0.00 0.13 0.00 0.00 99 D 8.66 4.28 0.00 2.75 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.66 0.00 2.14 2.24 0.00 3.41 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 101 E 7.93 3.86 0.00 2.05 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 2.28 2.38 0.00 102 N 8.01 4.39 0.00 2.68 2.83 0.00 0.00 6.97 8.29 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 0.00 103 F 7.87 4.55 0.00 3.17 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 0.00 104 R 8.06 4.02 0.00 1.94 2.10 0.00 3.22 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 105 L 7.85 3.92 0.00 1.73 1.18 0.52 0.26 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 0.00 106 L 8.19 4.15 0.00 1.91 1.85 1.02 1.05 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 0.00 107 G 8.21 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 0.00 108 N 8.47 4.52 0.00 3.01 2.97 0.00 0.00 6.69 7.14 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 0.00 109 V 8.11 3.67 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.17 0.00 0.00 110 L 8.21 3.83 0.00 1.59 1.71 0.81 0.44 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 0.00 111 V 7.71 3.47 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 1.24 0.00 0.00 1.12 0.00 0.00 112 C 8.07 4.10 0.00 3.18 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.93 3.50 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 0.90 0.00 0.00 0.89 0.00 0.00 114 L 7.80 3.83 0.00 0.93 1.06 0.42 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.26 3.70 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 0.00 116 H 8.05 4.09 0.00 3.16 3.41 0.00 5.78 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 H 7.96 4.02 0.00 2.85 2.85 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.46 4.51 0.00 3.28 3.08 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 0.00 119 G 8.84 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 0.00 120 K 8.85 4.09 0.00 1.91 2.00 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.46 7.81 121 E 7.98 4.05 0.00 2.01 2.34 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 2.26 2.25 0.00 122 F 8.08 4.50 0.00 3.09 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 0.00 123 T 7.27 4.13 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 124 P 0.00 4.17 0.00 2.15 2.13 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 125 P 0.00 4.19 0.00 2.10 2.05 0.00 3.48 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 126 V 7.44 3.53 1.89 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 0.95 0.00 0.00 0.87 0.00 0.00 127 Q 7.97 3.62 0.00 1.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 128 A 8.23 3.97 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 0.00 129 A 7.88 3.90 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 0.00 130 Y 8.12 3.91 0.00 3.33 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 0.00 131 Q 8.57 4.16 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.79 2.61 0.00 132 K 7.86 4.02 0.00 1.92 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.65 7.81 133 V 7.54 3.54 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 0.75 0.00 0.00 134 V 8.38 3.86 2.27 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 1.00 0.00 0.00 1.12 0.00 0.00 135 A 8.28 4.12 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 0.00 136 G 8.28 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 0.00 137 V 7.98 2.96 1.89 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 -0.13 0.00 0.00 0.86 0.00 0.00 138 A 8.01 3.76 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.01 4.32 0.00 2.97 2.84 0.00 0.00 7.23 7.32 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 0.00 140 A 7.99 4.04 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 0.00 141 L 7.75 3.67 0.00 1.11 0.28 0.19 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.42 4.77 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.84 4.04 0.00 3.31 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.66 4.11 0.00 1.44 1.63 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.42 7.81 145 Y 8.12 4.83 0.00 3.10 2.85 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 0.00 146 H 8.05 4.68 0.00 3.21 3.22 0.00 5.70 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 * Residues marked with a * may have inaccurate shift predictions.