NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4158 8.1844 120.6393 54.9070 43.1179 175.2359 8 H 4.8104 8.5938 119.6705 53.9735 32.2984 171.4621 9 K 4.6382 9.2546 126.1360 55.9698 33.8736 175.5902 10 E 4.8622 9.0679 122.1950 53.8746 33.8649 173.6299 11 P 4.9474 0.0000 0.0000 63.0257 32.1972 175.3349 12 A 4.9344 8.4795 122.8560 51.1377 23.0390 175.5800 13 T 4.5870 8.4159 115.1871 61.2103 71.8260 173.7686 14 L 4.1864 8.7391 128.8783 56.0327 42.2170 175.6212 15 I 4.3453 8.7693 127.1261 62.3351 38.4022 176.1521 16 K 4.4266 7.7142 119.7389 55.0219 35.0720 174.6593 17 A 4.4153 8.5383 129.2005 51.7226 19.5015 176.0463 18 I 4.2820 8.1989 122.9983 62.2415 37.8200 176.0617 19 D 4.7064 7.5847 117.8966 51.7628 41.8038 175.4333 20 G 3.9996 9.0042 106.7789 48.1569 0.0000 173.8417 21 D 4.9477 7.9711 114.1635 52.8403 40.4616 175.2795 22 T 5.7492 7.7293 115.1489 60.7237 72.4349 172.7422 *24 K 4.7392 8.2716 121.5602 56.6026 33.7925 174.9840 25 L 5.2481 9.4774 123.8002 53.1166 46.7660 175.4036 26 M 4.8692 9.1250 122.2891 54.8914 33.4592 174.1986 27 Y 5.0093 9.2140 128.5236 56.0324 41.8994 175.6952 28 K 3.6770 9.4792 126.4763 57.3195 29.7455 176.3493 29 G 4.0337 8.6113 107.7000 44.7479 0.0000 173.8831 30 Q 4.8809 7.8014 118.4499 53.3180 31.1285 173.6895 31 P 4.9607 0.0000 0.0000 63.6092 32.3556 175.0764 32 M 4.8927 9.3904 120.8624 54.8891 36.3890 173.0881 33 T 4.8834 8.4285 114.2119 60.5256 71.3574 173.3862 34 F 5.1535 8.8555 122.4276 55.6564 42.5116 174.0890 35 R 5.0735 9.0244 121.8188 54.2343 33.1167 174.5520 36 L 4.4630 8.7539 127.1538 54.7607 42.4846 177.2406 37 L 3.9712 8.7050 124.0687 55.3347 42.9962 177.4209 38 L 4.1618 8.7080 119.1568 54.6872 39.5259 174.0504 39 V 5.0845 7.3795 109.0455 59.9728 36.3678 174.7154 40 D 4.9233 8.9427 121.5333 53.3797 44.0418 174.4844 41 T 4.7208 8.7153 116.8518 59.6276 70.6592 173.2777 42 P 4.4653 0.0000 0.0000 62.4048 32.2014 176.2399 43 E 4.1735 9.0217 123.1742 56.5612 30.0679 177.3659 44 T 4.7023 8.3599 112.3728 60.8452 71.9386 174.2904 45 K 4.0951 8.6013 117.9333 56.7042 31.4062 180.4059 46 H 3.7958 8.3968 135.0000 56.0653 26.0528 171.6159 47 P 4.2413 0.0000 0.0000 65.4501 31.4713 178.9978 48 K 4.2947 8.2723 118.1232 58.8689 32.4089 177.6244 49 K 4.0584 8.5638 117.8015 56.3900 32.5960 177.9546 50 G 3.7897 7.3783 104.7882 44.3982 0.0000 173.4216 51 V 4.0383 7.9294 118.4892 62.2245 30.8766 175.5861 52 E 4.2879 9.2206 128.1371 55.3187 30.9797 176.3916 53 K 4.0000 8.3312 123.3027 58.0417 32.7524 176.8658 54 Y 4.5034 8.0746 122.2668 59.2944 36.2486 171.4283 55 G 3.5997 8.0799 107.7082 47.6111 0.0000 174.3334 56 P 4.3506 0.0000 0.0000 64.7402 31.2982 178.7611 57 E 3.9591 8.1642 116.9616 59.4489 29.6100 178.8872 58 A 4.0391 8.4234 121.1749 55.3051 17.9662 179.7959 59 S 4.1777 8.2607 113.3372 61.8070 62.8697 176.8552 60 A 4.0793 8.0564 123.3965 54.9673 18.1115 179.3510 61 F 3.9563 8.4900 119.1836 61.8023 39.3710 177.3288 62 T 3.9364 8.1872 115.1945 66.5551 68.2518 176.2253 63 K 3.9085 8.2711 121.5313 59.6113 32.2002 178.6845 64 K 3.8489 8.1460 118.6240 59.7561 31.7804 178.9536 65 M 3.8677 7.6439 116.8264 58.7650 32.3110 178.3009 66 V 3.8309 8.0798 112.6271 64.0096 31.6150 178.4581 67 E 4.0996 8.4107 118.0499 58.9405 29.4547 177.5372 68 N 4.5526 7.9099 113.8011 53.5907 39.1450 175.3772 69 A 4.4116 7.2726 120.8880 51.9573 18.9954 177.9439 70 K 4.2323 8.8963 121.4649 58.1821 32.8818 177.8814 71 K 4.6899 8.3867 118.0051 54.6052 36.5240 175.5678 72 I 5.0475 8.4494 124.7141 59.5746 40.5877 174.3490 73 E 5.1388 9.2188 124.8314 54.7264 33.8381 174.9348 74 V 4.5786 8.9358 116.5074 59.6159 34.7793 174.8968 75 E 4.8969 8.9230 124.5831 54.4555 32.1019 174.7743 76 F 4.6776 8.7496 125.6172 57.6039 40.0951 175.8893 77 D 4.9507 8.5349 120.9599 53.5779 43.1927 176.0463 78 K 4.4847 8.7920 118.5099 57.2354 33.8701 177.6297 79 G 4.2290 8.5055 110.5994 45.1551 0.0000 173.8862 80 Q 4.0931 8.6233 122.2640 56.4728 29.3425 176.7445 81 R 4.4962 8.4043 118.1074 56.5793 30.9270 176.0007 82 T 5.5776 7.5515 106.5106 59.2427 72.0319 173.2162 83 D 4.7747 8.1873 122.7010 51.5352 41.7887 176.9622 84 K 3.8201 8.3128 117.1916 59.8788 32.3616 177.0543 85 Y 4.3278 7.9364 115.3713 57.6005 37.8849 175.8966 86 G 3.8855 8.1163 107.6707 45.9412 0.0000 173.9075 87 R 4.3685 8.2351 119.1407 54.8865 31.8442 176.3188 88 G 3.4026 8.4600 111.2384 45.9855 0.0000 172.4451 89 L 5.3859 8.8375 124.8628 53.2036 43.1215 175.5958 90 A 4.5257 8.4245 124.3139 51.0848 23.7195 173.8100 91 Y 4.7130 8.8285 117.2768 56.8563 39.8620 175.3252 92 I 4.8237 8.5227 125.1509 59.6590 40.1922 174.0981 93 Y 5.0925 9.3066 124.3670 56.0933 40.8475 174.5890 94 A 4.8573 9.2685 126.2389 50.0977 21.1168 176.3103 95 D 4.3294 10.1348 124.8557 56.2610 38.9297 175.6684 96 G 3.9730 8.4888 104.9042 45.3870 0.0000 173.5442 97 K 4.5491 7.9364 120.3180 54.4488 34.0558 175.2546 98 M 4.0386 8.5325 123.4478 55.0908 33.0031 176.8542 99 V 3.6353 8.6495 127.6073 66.0702 31.6160 177.4843 100 N 4.2990 8.0825 115.7458 56.5470 38.4717 176.8074 101 E 3.9096 8.1190 119.6746 59.0537 29.7070 178.1643 102 A 4.0678 8.0952 120.8917 55.4173 18.3626 179.6581 103 L 3.5723 7.9773 117.1919 57.7459 41.6912 179.9610 104 V 3.7206 7.4675 118.2423 66.1543 31.3236 178.0698 105 R 3.8933 8.1991 117.3228 59.2253 29.9445 177.6581 106 Q 4.2144 7.6230 115.6325 55.6456 29.0869 176.3316 107 G 3.8452 8.1095 108.7999 46.4111 0.0000 174.5315 108 L 4.5219 7.7303 117.3762 54.1734 42.3567 176.2089 109 A 4.7285 7.5268 118.9090 50.8328 22.3144 175.6932 110 K 4.9014 8.5105 118.5601 54.3393 35.7234 175.9795 111 V 4.3722 8.9603 123.5723 63.0787 32.2976 175.0672 112 A 4.2664 8.9443 128.1086 50.6471 23.3703 174.7942 113 Y 3.3959 7.4415 113.6137 59.1112 35.2108 173.8006 114 V 3.7621 7.1546 118.6119 62.0321 30.6856 172.4585 115 Y 4.8589 7.8344 122.4067 55.3931 39.2965 176.0538 116 K 4.6368 8.6252 124.5866 56.1505 33.6183 174.4661 117 P 4.7237 0.0000 0.0000 63.3506 31.8834 177.0973 118 N 4.9620 7.9775 117.4503 52.6749 37.1277 175.2668 119 N 5.1920 7.6460 111.1614 52.9696 38.9484 177.2684 120 T 3.8175 8.4022 118.5378 67.6939 68.7556 174.8088 121 H 4.8461 8.1026 115.6961 55.6810 29.2252 176.3106 122 E 3.9750 8.5345 123.2991 59.7938 29.3502 179.1065 123 Q 3.9964 8.0686 117.3854 59.0354 28.9084 178.0065 124 H 4.1342 8.2009 118.7686 59.4538 29.9400 177.2236 125 L 3.9770 7.9702 120.6882 57.7148 41.3027 179.7969 126 R 3.8614 8.1875 118.2373 59.0127 29.8675 178.8143 127 K 3.8122 8.0838 119.4337 59.8147 32.1632 179.0334 128 S 4.0900 7.8745 114.8330 61.3320 62.6258 176.2413 129 E 3.9101 8.3289 122.1689 59.1551 29.2750 178.7508 130 A 3.6949 8.1287 121.1240 54.8966 18.4559 179.4783 131 Q 3.7677 7.7933 118.0122 59.2814 29.1007 178.2246 132 A 4.0266 7.9676 121.7956 54.9256 18.3789 179.8313 133 K 3.4583 7.7212 117.3421 59.3007 31.9304 179.7223 134 K 4.2708 7.9452 117.0879 58.8944 32.5158 177.7639 135 E 4.3821 7.6452 117.7352 54.7409 30.4413 175.5634 136 K 4.1772 8.1333 117.5948 56.0223 30.6273 175.3345 137 L 4.2838 8.3514 118.2772 55.6904 44.5968 178.5413 138 N 3.3611 9.3433 118.4337 53.9689 38.3254 176.4901 139 I 3.2972 5.4200 129.5877 64.2292 37.7727 176.6436 140 W 4.8513 8.0961 118.7127 56.3052 29.4878 176.4884 141 S 4.4582 8.3711 119.6831 58.5241 62.6651 173.9562 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 7 L 8.18 4.42 0.00 1.89 1.81 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.59 4.81 0.00 3.24 3.22 0.00 5.72 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 9 K 9.25 4.64 0.00 1.51 1.57 0.00 1.47 0.00 0.00 0.82 0.00 0.00 2.48 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.13 1.22 7.81 10 E 9.07 4.86 0.00 2.08 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 2.47 2.50 0.00 11 P 0.00 4.95 0.00 1.97 2.00 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 12 A 8.48 4.93 1.14 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 13 T 8.42 4.59 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 1.23 0.00 0.00 14 L 8.74 4.19 0.00 1.65 1.59 0.92 1.09 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 15 I 8.77 4.35 1.99 0.00 0.00 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 1.15 0.99 0.94 0.00 0.00 16 K 7.71 4.43 0.00 1.68 1.65 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.45 7.81 17 A 8.54 4.42 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 18 I 8.20 4.28 2.00 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 1.48 0.68 0.91 0.00 0.00 19 D 7.58 4.71 0.00 2.79 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 20 G 9.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.97 4.95 0.00 2.86 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 22 T 7.73 5.75 4.38 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 1.27 0.00 0.00 *24 K 8.27 4.74 0.00 1.79 1.85 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.52 7.81 25 L 9.48 5.25 0.00 1.63 1.52 0.36 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.13 4.87 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 27 Y 9.21 5.01 0.00 3.25 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 28 K 9.48 3.68 0.00 1.74 1.62 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.60 7.81 29 G 8.61 4.03 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 0.00 30 Q 7.80 4.88 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 31 P 0.00 4.96 0.00 2.15 2.15 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 9.39 4.89 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 33 T 8.43 4.88 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 34 F 8.86 5.15 0.00 3.02 2.95 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 35 R 9.02 5.07 0.00 1.83 1.72 0.00 3.33 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 36 L 8.75 4.46 0.00 1.58 1.61 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.71 3.97 0.00 0.92 1.23 0.30 0.41 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 38 L 8.71 4.16 0.00 1.98 1.80 1.14 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 39 V 7.38 5.08 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 0.79 0.00 0.00 0.97 0.00 0.00 40 D 8.94 4.92 0.00 2.87 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 41 T 8.72 4.72 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 1.19 0.00 0.00 42 P 0.00 4.47 0.00 2.18 2.08 0.00 3.68 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 2.12 2.04 0.00 43 E 9.02 4.17 0.00 2.07 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 0.00 2.32 2.43 0.00 44 T 8.36 4.70 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 45 K 8.60 4.10 0.00 1.86 1.05 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.37 7.81 46 H 8.40 3.80 0.00 3.18 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.24 0.00 2.17 2.10 0.00 3.45 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 48 K 8.27 4.29 0.00 1.84 1.95 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 49 K 8.56 4.06 0.00 1.91 1.85 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.50 7.81 50 G 7.38 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 51 V 7.93 4.04 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 0.78 0.00 0.00 0.99 0.00 0.00 52 E 9.22 4.29 0.00 1.93 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 2.40 2.41 0.00 53 K 8.33 4.00 0.00 1.60 1.62 0.00 1.32 0.00 0.00 1.38 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.53 7.81 54 Y 8.07 4.50 0.00 3.21 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 55 G 8.08 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 56 P 0.00 4.35 0.00 2.16 2.11 0.00 3.57 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 2.08 2.16 0.00 57 E 8.16 3.96 0.00 2.41 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 0.00 2.62 2.53 0.00 58 A 8.42 4.04 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 59 S 8.26 4.18 0.00 4.09 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 60 A 8.06 4.08 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 61 F 8.49 3.96 0.00 3.28 3.20 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 62 T 8.19 3.94 4.43 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 1.27 0.00 0.00 63 K 8.27 3.91 0.00 1.93 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.50 7.81 64 K 8.15 3.85 0.00 1.97 1.71 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 65 M 7.64 3.87 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 66 V 8.08 3.83 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 0.89 0.00 0.00 1.03 0.00 0.00 67 E 8.41 4.10 0.00 1.99 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 2.34 2.40 0.00 68 N 7.91 4.55 0.00 2.78 2.82 0.00 0.00 6.97 7.38 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 69 A 7.27 4.41 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 70 K 8.90 4.23 0.00 1.90 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 K 8.39 4.69 0.00 1.77 1.64 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.40 7.81 72 I 8.45 5.05 2.01 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 1.33 1.26 0.85 0.00 0.00 73 E 9.22 5.14 0.00 1.90 1.75 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 2.19 2.25 0.00 74 V 8.94 4.58 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 0.59 0.00 0.00 75 E 8.92 4.90 0.00 2.20 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 0.00 2.49 2.41 0.00 76 F 8.75 4.68 0.00 3.09 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 77 D 8.53 4.95 0.00 2.72 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.79 4.48 0.00 1.92 1.96 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.43 7.81 79 G 8.51 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 0.00 0.00 0.00 0.00 80 Q 8.62 4.09 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 81 R 8.40 4.50 0.00 1.61 1.48 0.00 2.80 0.00 0.00 2.72 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.42 0.00 82 T 7.55 5.58 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 1.12 0.00 0.00 83 D 8.19 4.77 0.00 2.90 2.87 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 84 K 8.31 3.82 0.00 1.53 1.75 0.00 1.22 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.02 0.28 7.81 85 Y 7.94 4.33 0.00 3.12 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 86 G 8.12 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 87 R 8.24 4.37 0.00 2.12 1.78 0.00 3.10 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 88 G 8.46 3.40 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 0.00 89 L 8.84 5.39 0.00 1.56 1.63 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.42 4.53 0.91 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 0.00 0.00 91 Y 8.83 4.71 0.00 3.13 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 92 I 8.52 4.82 1.78 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.52 0.87 0.00 0.00 93 Y 9.31 5.09 0.00 2.87 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 94 A 9.27 4.86 1.20 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 0.00 0.00 95 D 10.13 4.33 0.00 2.77 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 96 G 8.49 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 97 K 7.94 4.55 0.00 1.95 1.76 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.38 7.81 98 M 8.53 4.04 0.00 1.93 1.69 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.39 0.00 99 V 8.65 3.64 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 1.03 0.00 0.00 0.95 0.00 0.00 100 N 8.08 4.30 0.00 2.91 2.94 0.00 0.00 6.99 8.02 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 0.00 101 E 8.12 3.91 0.00 2.01 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 2.31 0.00 102 A 8.10 4.07 1.63 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 0.00 0.00 103 L 7.98 3.57 0.00 1.86 1.65 1.02 0.71 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 0.00 104 V 7.47 3.72 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 1.09 0.00 0.00 0.98 0.00 0.00 105 R 8.20 3.89 0.00 1.92 2.12 0.00 3.33 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 106 Q 7.62 4.21 0.00 1.67 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.16 0.00 0.00 0.00 0.00 0.00 2.35 1.86 0.00 107 G 8.11 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 0.00 108 L 7.73 4.52 0.00 1.34 1.53 0.45 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.53 4.73 1.18 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 0.00 0.00 110 K 8.51 4.90 0.00 1.70 1.78 0.00 1.56 0.00 0.00 1.32 0.00 0.00 2.64 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.13 7.81 111 V 8.96 4.37 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 0.75 0.00 0.00 0.95 0.00 0.00 112 A 8.94 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.44 3.40 0.00 3.00 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 0.00 114 V 7.15 3.76 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 0.84 0.00 0.00 0.89 0.00 0.00 115 Y 7.83 4.86 0.00 3.10 2.79 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 0.00 116 K 8.63 4.64 0.00 1.92 1.87 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.48 7.81 117 P 0.00 4.72 0.00 2.24 2.21 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 118 N 7.98 4.96 0.00 3.02 2.89 0.00 0.00 6.90 7.87 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 0.00 119 N 7.65 5.19 0.00 2.87 3.00 0.00 0.00 6.13 7.35 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 0.00 120 T 8.40 3.82 4.17 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 1.11 0.00 0.00 121 H 8.10 4.85 0.00 2.96 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.53 3.98 0.00 2.14 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 2.33 2.39 0.00 123 Q 8.07 4.00 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 H 8.20 4.13 0.00 3.21 3.48 0.00 5.87 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 0.00 125 L 7.97 3.98 0.00 1.78 1.72 1.08 1.04 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 0.00 126 R 8.19 3.86 0.00 1.99 1.93 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 127 K 8.08 3.81 0.00 1.79 2.07 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.45 7.81 128 S 7.87 4.09 0.00 3.98 3.83 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 0.00 129 E 8.33 3.91 0.00 2.11 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 2.01 2.47 0.00 130 A 8.13 3.69 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 0.00 131 Q 7.79 3.77 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 132 A 7.97 4.03 1.50 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 0.00 133 K 7.72 3.46 0.00 1.44 1.44 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.69 0.21 7.81 134 K 7.95 4.27 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.44 7.81 135 E 7.65 4.38 0.00 2.03 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 2.26 2.40 0.00 136 K 8.13 4.18 0.00 1.83 2.01 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 137 L 8.35 4.28 0.00 1.77 1.71 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.34 3.36 0.00 2.42 1.42 0.00 0.00 6.94 7.41 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 0.00 139 I 5.42 3.30 1.11 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.02 -0.50 0.00 0.00 140 W 8.10 4.85 0.00 3.50 3.14 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 0.00 141 S 8.37 4.46 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.