NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -9 S 4.4338 8.3349 115.4137 57.7870 64.3803 172.8960 -8 D 4.3661 8.5150 119.6563 54.4009 40.8506 174.3833 -7 K 4.7169 9.1332 120.5869 54.6997 36.3641 175.1925 -6 I 4.9463 7.8056 119.3773 58.8868 40.5551 174.8005 -5 H 5.1537 8.6159 120.7345 53.3208 32.1608 172.9939 -4 H 4.7414 8.8375 118.1666 56.4094 31.4742 173.6731 -3 H 5.3849 7.7071 113.7235 52.5488 32.4280 172.1618 -2 H 4.6652 8.9705 121.6179 55.5931 30.5975 173.8387 -1 H 5.1482 8.3183 122.2255 53.2053 30.9886 173.4231 *0 H 4.4484 8.4717 121.8168 54.9107 28.6470 171.8525 -7 I 4.5669 8.8432 120.0869 59.5997 42.0641 174.9925 -6 V 4.8963 7.8356 118.6773 59.9868 34.6551 174.7005 -5 E 4.7737 8.6159 122.7345 54.9208 33.0608 175.4939 -4 E 4.3614 8.8375 120.1666 58.0094 32.3742 176.1731 -3 R 4.9949 7.5171 116.0236 53.5488 34.3280 174.3618 -2 I 4.1052 8.5505 123.3179 61.6931 40.3975 176.1387 -1 Y 4.9682 8.0183 124.3255 56.1054 39.7886 175.2231 *0 R 4.0584 8.2817 124.1168 55.9107 30.5470 174.0525 10 I 4.3998 8.9168 128.7556 60.2823 38.6816 176.2721 11 R 4.0457 8.6935 124.9641 55.8122 31.1460 176.7519 12 G 3.8772 8.7223 112.0409 47.6064 0.0000 173.8485 13 G 3.9726 9.0717 111.6050 45.3267 0.0000 174.1398 14 K 4.4131 7.7028 120.3684 54.6917 31.4654 176.4112 *16 Q 4.4548 7.8087 120.5023 55.7669 31.5896 177.8077 17 E 3.9167 8.2471 117.8497 59.3047 29.8896 177.6126 18 Y 4.0397 8.4715 120.0359 61.0693 38.8497 178.2635 19 L 4.0911 8.2569 119.0525 57.7451 41.7032 179.4488 20 K 3.9480 8.1549 119.4825 59.4109 32.1869 178.7688 21 L 4.0509 7.9495 119.3054 57.8845 41.5441 179.8631 22 V 3.5462 7.5563 117.4678 65.9159 31.3032 177.6269 23 R 3.7436 7.9548 117.4382 59.8957 29.9412 177.8297 24 E 4.2474 8.1887 115.9691 57.8248 30.0572 176.8438 25 E 4.4128 7.8485 115.8541 57.3070 32.5758 178.0807 26 G 2.7963 7.7582 105.2130 47.5203 0.0000 175.6378 27 I 4.0700 7.7504 120.9736 63.4716 37.7269 177.8077 28 A 4.0510 7.8427 120.6320 54.5450 18.1851 179.2410 29 I 3.9091 7.2674 117.5897 64.2618 37.5147 178.0058 30 Q 3.4669 8.4558 120.3547 59.0858 28.8204 178.3760 31 A 4.3155 8.1036 121.5191 54.9957 18.3140 177.7018 32 P 4.0253 0.0000 0.0000 65.6609 31.3513 178.6480 33 I 3.9248 6.8681 114.6541 64.3217 37.4173 178.1658 34 L 4.1504 7.6646 118.3558 55.9557 41.4466 178.0561 35 G 4.1225 10.3115 107.2542 45.4715 0.0000 173.6279 36 N 4.9070 7.5102 117.0090 51.9123 39.5288 171.7421 37 L 3.4722 7.8767 122.4885 54.4315 43.2910 175.9874 38 I 4.0683 7.7243 126.2631 62.5089 38.5416 175.9288 39 G 3.7214 6.9082 106.2872 44.6014 0.0000 171.2509 40 Y 4.4965 6.9188 120.9994 55.9880 41.3466 174.0390 41 F 5.2487 9.5138 125.1920 55.7059 43.7785 173.9507 42 V 4.8900 8.4786 120.3734 61.3919 33.8174 175.1325 43 T 4.1372 8.5560 125.2254 63.6925 68.3456 174.0958 44 D 4.6040 8.8788 124.9263 54.8797 42.5087 176.2226 45 I 4.5286 8.4582 118.6912 59.8264 40.5002 174.3691 46 G 3.7592 8.5859 115.4322 44.2288 0.0000 170.2356 47 P 4.2470 0.0000 0.0000 62.7426 31.7648 176.1024 48 L 4.4940 8.3204 123.0403 53.4199 44.0812 175.2950 49 S 3.6652 8.2887 110.4237 59.8655 60.9300 170.7363 50 Q 5.4747 7.9233 118.6133 54.1921 31.6245 174.0767 51 V 4.9379 8.4330 125.7407 61.3816 34.2344 174.7531 52 I 5.3014 8.8097 126.6722 60.2018 41.1082 174.1676 53 H 5.0712 7.8768 121.5125 52.4100 31.8229 171.9758 *55 W 4.5403 8.5538 116.6905 56.8878 29.9323 175.4377 56 G 4.3226 9.0912 112.7776 45.6006 0.0000 172.6199 57 Y 5.0930 8.3496 120.0561 56.1865 41.8551 175.3620 58 A 4.3658 8.6856 124.0886 54.9181 19.1194 178.2348 59 S 4.6500 7.5164 108.7424 56.4313 67.3671 174.8925 60 L 4.0157 8.3583 120.7832 57.4763 41.3512 179.3869 61 D 4.3042 7.9661 118.8876 57.0717 40.8562 177.7923 62 D 4.2931 8.1930 118.6985 57.3378 41.2219 178.2421 63 R 2.7787 7.7514 118.7570 59.1226 29.9080 178.3057 64 A 3.8635 7.7296 120.3388 54.9302 18.4074 179.0594 65 E 3.8038 8.5028 118.1902 59.7446 29.7172 179.4364 66 R 3.9632 8.0298 117.8973 59.1627 30.1872 179.2550 67 R 3.9298 8.4832 118.4766 58.8682 29.9461 179.3141 68 G 3.5907 8.0736 105.8927 47.5557 0.0000 176.0505 69 K 4.0084 7.7351 119.9525 58.9992 32.3072 178.9734 70 L 3.8300 7.8084 120.5048 58.0421 41.7802 178.8246 71 A 4.2299 7.7216 119.4127 55.1152 18.3805 178.6224 72 E 4.1448 7.7635 115.4356 56.7811 30.3907 176.1839 73 D 4.5683 7.6773 119.8683 54.0821 42.2792 176.6087 74 Q 4.0336 8.8947 127.2575 59.4212 29.3284 178.4341 75 R 3.9952 8.1480 118.6599 59.0428 30.1686 178.6161 76 W 4.3576 8.9563 128.3546 60.7617 30.4976 178.0200 77 Q 4.0937 8.2716 116.7045 58.9265 28.2102 178.3893 78 A 4.1141 7.7876 120.3801 54.2627 18.5665 178.8967 79 F 4.1629 7.7477 118.8898 60.8229 39.7213 177.6844 80 I 2.9521 7.5395 118.5561 63.1658 37.0757 176.1442 81 P 4.2590 0.0000 0.0000 65.2523 30.9241 178.6369 82 R 3.8741 7.0950 116.3162 58.3682 30.1810 178.4240 83 L 3.8951 7.0042 119.8564 58.0458 42.2833 178.8101 84 S 4.0848 8.2242 115.7002 61.4213 62.4817 176.9525 85 V 3.7280 7.2399 119.7246 63.8528 31.4539 177.4244 86 L 4.4500 7.9637 118.6945 54.0308 41.7260 175.6854 87 I 4.5599 6.9285 120.7114 59.9045 38.2565 175.1509 88 E 4.2193 8.8782 126.9947 58.8393 29.9904 176.4179 89 S 4.9644 7.8287 111.9649 57.2152 67.3285 173.3441 90 S 5.6808 8.4757 114.7377 57.7010 65.6135 172.8965 91 E 4.9965 8.7070 118.1694 55.5898 32.2820 173.1366 92 N 6.3000 8.5047 117.4992 52.0446 41.0550 172.9625 93 R 4.6673 8.3451 113.3220 55.4618 32.2315 174.0644 94 I 4.6304 8.3304 121.1437 59.8158 38.8311 174.9183 95 L 4.7286 8.5997 126.8575 52.9180 43.8785 175.7992 96 L 4.6028 8.3252 123.3734 52.2196 42.9602 174.8519 97 P 4.1829 0.0000 0.0000 62.4804 32.0983 176.6861 98 T 3.9502 7.9078 112.4488 61.1170 69.2451 174.7659 99 D 4.4959 8.4192 120.9387 54.8917 39.5797 176.7403 100 F 4.7926 6.8388 112.8223 56.4084 38.2726 175.4354 101 S 4.1811 7.3194 117.2585 57.5740 62.6241 172.0104 102 P 4.3639 0.0000 0.0000 65.3155 31.2798 176.4116 103 L 4.3090 7.6538 119.9369 54.4196 42.4067 176.1078 104 R 4.0897 8.4005 125.3688 57.1983 29.9904 173.7242 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 -9 S 8.33 4.43 0.00 4.00 3.99 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 -8 D 8.51 4.37 0.00 2.77 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 -7 K 9.13 4.72 0.00 1.77 1.59 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.51 7.81 -6 I 7.81 4.95 1.85 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 1.41 1.55 0.87 0.00 0.00 -5 H 8.62 5.15 0.00 3.07 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.84 4.74 0.00 3.04 3.12 0.00 5.56 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 -3 H 7.71 5.38 0.00 3.24 3.18 0.00 6.09 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.97 4.67 0.00 3.17 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.32 5.15 0.00 3.28 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 H 8.47 4.45 0.00 2.72 2.90 0.00 7.23 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -7 I 8.84 4.57 1.87 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 1.41 1.56 0.91 0.00 0.00 -6 V 7.84 4.90 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 1.06 0.00 0.00 0.89 0.00 0.00 -5 E 8.62 4.77 0.00 1.84 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 2.19 2.18 0.00 -4 E 8.84 4.36 0.00 1.81 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 2.27 2.22 0.00 -3 R 7.52 4.99 0.00 1.81 1.78 0.00 2.21 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 -2 I 8.55 4.11 1.87 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 1.10 2.33 0.91 0.00 0.00 -1 Y 8.02 4.97 0.00 3.02 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 R 8.28 4.06 0.00 1.29 1.50 0.00 2.21 0.00 0.00 3.28 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 10 I 8.92 4.40 1.82 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.56 0.96 0.00 0.00 11 R 8.69 4.05 0.00 1.80 1.86 0.00 3.15 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 12 G 8.72 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 0.00 0.00 0.00 13 G 9.07 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 14 K 7.70 4.41 0.00 1.98 1.80 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.54 7.81 *16 Q 7.81 4.45 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 17 E 8.25 3.92 0.00 2.07 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 2.38 2.37 0.00 18 Y 8.47 4.04 0.00 3.11 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 19 L 8.26 4.09 0.00 1.96 1.76 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.15 3.95 0.00 1.95 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.58 7.81 21 L 7.95 4.05 0.00 1.82 1.79 0.76 0.63 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 22 V 7.56 3.55 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 0.77 0.00 0.00 0.71 0.00 0.00 23 R 7.95 3.74 0.00 1.81 2.11 0.00 3.29 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 24 E 8.19 4.25 0.00 2.07 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 2.31 2.47 0.00 25 E 7.85 4.41 0.00 2.15 1.77 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 2.29 2.30 0.00 26 G 7.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.75 4.07 1.89 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.24 0.85 0.00 0.00 28 A 7.84 4.05 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 29 I 7.27 3.91 2.13 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 1.44 0.91 1.05 0.00 0.00 30 Q 8.46 3.47 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 1.90 1.64 0.00 31 A 8.10 4.32 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.03 0.00 2.01 2.14 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 33 I 6.87 3.92 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.81 0.00 0.00 34 L 7.66 4.15 0.00 1.31 1.48 -0.30 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 35 G 10.31 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 0.00 0.00 0.00 36 N 7.51 4.91 0.00 2.71 2.77 0.00 0.00 6.88 6.66 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 37 L 7.88 3.47 0.00 1.03 1.30 -0.22 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.72 4.07 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.88 0.00 0.00 39 G 6.91 3.72 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 0.00 0.00 0.00 40 Y 6.92 4.50 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.51 5.25 0.00 2.92 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 42 V 8.48 4.89 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.06 0.00 0.00 43 T 8.56 4.14 4.37 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 1.28 0.00 0.00 44 D 8.88 4.60 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.53 1.86 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 1.35 0.78 0.91 0.00 0.00 46 G 8.59 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 47 P 0.00 4.25 0.00 2.06 2.02 0.00 3.66 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 2.02 2.11 0.00 48 L 8.32 4.49 0.00 1.63 1.63 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.29 3.67 0.00 3.95 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 50 Q 7.92 5.47 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 51 V 8.43 4.94 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 1.14 0.00 0.00 0.79 0.00 0.00 52 I 8.81 5.30 2.04 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 1.26 0.51 0.96 0.00 0.00 53 H 7.88 5.07 0.00 2.40 1.71 0.00 5.36 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 *55 W 8.55 4.54 0.00 3.22 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 56 G 9.09 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.35 5.09 0.00 2.84 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 58 A 8.69 4.37 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 59 S 7.52 4.65 0.00 4.01 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 60 L 8.36 4.02 0.00 1.68 1.69 0.91 0.97 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 61 D 7.97 4.30 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.19 4.29 0.00 2.81 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 63 R 7.75 2.78 0.00 1.01 1.68 0.00 3.18 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 64 A 7.73 3.86 1.29 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 0.00 0.00 0.00 65 E 8.50 3.80 0.00 2.03 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 2.29 2.33 0.00 66 R 8.03 3.96 0.00 2.12 1.99 0.00 3.60 0.00 0.00 3.58 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 67 R 8.48 3.93 0.00 1.73 1.86 0.00 2.98 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 68 G 8.07 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 69 K 7.74 4.01 0.00 2.13 1.84 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.32 7.81 70 L 7.81 3.83 0.00 1.39 1.49 -0.06 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.72 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 7.76 4.14 0.00 2.07 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 0.00 2.33 2.32 0.00 73 D 7.68 4.57 0.00 2.85 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 74 Q 8.89 4.03 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 75 R 8.15 4.00 0.00 2.16 2.04 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 76 W 8.96 4.36 0.00 3.40 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 77 Q 8.27 4.09 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 78 A 7.79 4.11 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 79 F 7.75 4.16 0.00 3.15 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 80 I 7.54 2.95 0.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.90 0.68 0.00 0.00 81 P 0.00 4.26 0.00 2.06 1.98 0.00 3.48 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 2.02 2.06 0.00 82 R 7.10 3.87 0.00 1.47 1.75 0.00 3.03 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 83 L 7.00 3.90 0.00 0.90 1.37 0.38 1.14 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 84 S 8.22 4.08 0.00 3.77 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.24 3.73 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 0.75 0.00 0.00 0.90 0.00 0.00 86 L 7.96 4.45 0.00 2.00 1.85 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 I 6.93 4.56 1.89 0.00 0.00 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 1.15 0.72 0.69 0.00 0.00 88 E 8.88 4.22 0.00 1.98 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 2.28 2.34 0.00 89 S 7.83 4.96 0.00 3.75 3.71 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 90 S 8.48 5.68 0.00 3.94 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 91 E 8.71 5.00 0.00 1.99 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 2.39 2.35 0.00 92 N 8.50 6.30 0.00 2.81 2.87 0.00 0.00 5.88 7.66 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 93 R 8.35 4.67 0.00 1.81 1.91 0.00 3.01 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 94 I 8.33 4.63 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.91 0.94 0.00 0.00 95 L 8.60 4.73 0.00 1.51 1.56 0.96 1.01 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 96 L 8.33 4.60 0.00 1.49 1.59 0.92 1.07 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 97 P 0.00 4.18 0.00 1.96 2.08 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 98 T 7.91 3.95 3.46 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 0.92 0.00 0.00 99 D 8.42 4.50 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 0.00 100 F 6.84 4.79 0.00 3.20 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 0.00 101 S 7.32 4.18 0.00 3.63 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 0.00 102 P 0.00 4.36 0.00 2.10 2.15 0.00 3.73 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 2.06 2.13 0.00 103 L 7.65 4.31 0.00 1.59 1.58 0.93 0.83 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 0.00 104 R 8.40 4.09 0.00 1.82 1.60 0.00 3.15 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.