NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4620 8.3349 115.4121 57.6814 64.6758 173.3476 -1 N 4.1802 8.7663 118.6080 56.2844 38.5640 176.9053 0 A 4.3124 8.2548 121.5864 52.3164 18.8360 178.8582 0 E 4.3424 8.4348 117.9864 56.4164 29.6360 177.6582 3 Q 3.9749 8.2512 119.2636 58.9239 28.9765 177.9600 4 F 4.0836 8.2803 121.3183 61.4649 39.2372 176.9521 5 L 3.9208 8.0423 116.6571 57.6744 41.7355 178.6091 6 D 4.3924 7.9752 117.5093 57.5033 41.0957 177.8439 7 N 4.2867 8.1541 116.2939 55.5495 38.7171 176.3504 8 I 4.0949 7.1918 112.8044 60.4328 37.6615 177.6567 9 K 3.8900 7.7667 121.7013 59.7840 32.4154 177.3965 10 D 4.7241 7.8086 116.5181 53.8979 41.2823 176.1212 11 L 4.4855 7.5941 119.8690 54.3229 42.9877 176.0645 12 E 4.4772 8.5244 123.4849 54.7018 30.8788 175.4934 13 V 4.4045 8.5326 128.0221 63.8211 32.3423 174.8993 14 T 4.7541 8.7597 121.8273 61.7233 70.6687 171.8088 15 T 4.6081 8.1874 109.9492 59.1231 71.9723 175.0735 16 V 2.8529 7.8449 114.3039 63.9651 31.1550 178.9328 17 V 3.5196 7.2457 117.4608 65.9376 31.3006 178.0272 18 R 3.7846 7.7404 117.8045 59.1354 29.8568 178.4315 19 A 3.3212 7.1970 120.2702 54.8212 18.2022 179.1709 20 Q 3.9603 8.0523 118.1603 59.1742 29.0226 178.0779 21 E 3.8776 8.3765 120.2984 59.2478 29.6500 178.6449 22 A 4.3148 7.8721 122.0778 54.5173 18.4571 179.4476 23 L 3.8860 7.9313 117.3601 58.3330 41.5686 179.6354 24 D 4.4135 8.1848 117.4830 56.8893 40.8655 178.1490 25 K 4.2759 8.3017 116.4577 55.2821 32.6010 176.6380 26 K 3.8645 7.6502 117.6671 57.3124 30.2945 174.9205 27 E 4.4681 8.1284 118.3927 55.8876 31.7960 174.5773 28 T 4.9368 8.1984 118.9437 61.8644 70.3448 174.0019 29 A 4.7001 8.7646 126.3523 51.2234 23.4034 174.9920 30 T 5.0969 8.2193 115.8782 61.7738 72.7358 173.0525 31 F 5.3658 9.5267 123.8548 55.7828 43.2858 173.5135 32 F 5.7864 10.0097 126.8005 57.2306 40.9523 174.0128 33 I 4.5611 8.8089 127.9020 59.6441 40.1476 174.8941 34 G 4.4071 7.6493 115.5499 46.2389 0.0000 171.4864 35 R 5.1677 7.9540 115.0656 53.9195 32.1982 176.8485 36 K 2.4800 8.6801 121.3474 59.4738 32.6256 177.9819 37 T 3.9260 7.6062 107.3280 62.5824 69.2922 173.8942 38 C 4.5471 7.6920 124.2198 57.1800 33.3354 172.2225 39 P 4.0928 0.0000 0.0000 66.0640 30.7208 178.1579 40 Y 4.2566 7.3543 116.1213 60.9688 37.8846 177.3888 41 C 4.5122 8.2370 117.2948 63.0854 28.3279 176.2511 42 R 4.3158 8.2604 119.7898 59.0599 29.5016 179.0097 43 K 3.9257 8.3259 119.5343 59.5227 32.1828 178.6015 44 F 3.9140 8.5148 120.7249 61.2641 39.2322 176.9072 45 A 3.7183 8.5991 120.8088 54.7607 17.9548 179.8391 46 G 3.4656 7.9767 104.3043 48.2918 0.0000 176.0913 47 T 3.6908 7.3287 118.4939 66.0597 68.3467 176.5919 48 L 3.5317 7.3801 122.4626 57.8048 41.8825 178.6726 49 S 4.0475 8.1905 113.7280 61.4953 62.1484 176.5834 50 G 3.4777 7.6770 108.1058 47.6586 0.0000 175.7369 51 V 3.5215 7.5286 120.6127 65.7623 31.4837 178.3127 52 V 3.5227 8.0508 118.0101 65.9126 31.1384 177.8431 53 A 3.9370 7.9256 119.6425 55.0624 18.2798 178.9417 54 E 3.9932 8.2891 117.3623 59.2251 29.8875 178.4014 55 T 4.2641 7.9960 107.2614 60.7862 69.6340 174.7835 56 K 3.8210 8.1178 119.6274 57.1502 30.3047 175.5033 57 A 4.1027 7.6005 119.9579 52.3035 18.8972 177.6565 58 H 4.7337 8.5203 119.8799 54.6262 30.6169 174.2738 59 I 4.5269 7.6963 126.8783 59.6740 41.4212 174.5541 60 Y 4.9346 8.5827 123.2938 57.1602 40.0778 174.1298 61 F 5.6218 9.3354 124.1040 56.6140 42.6997 173.8308 62 I 4.4048 8.0731 126.8736 59.0737 39.9974 174.3394 63 N 4.4891 8.0618 126.9261 53.1073 39.2986 175.3015 64 S 4.4730 8.9813 122.2862 58.9657 63.6875 174.4288 65 E 4.6188 8.2449 118.8321 55.7800 30.0800 175.3890 66 E 3.9670 8.0715 121.1328 56.7181 29.9740 175.1230 67 P 4.2491 0.0000 0.0000 65.8964 31.4120 178.5676 68 S 4.3027 8.0641 109.2113 60.0607 63.1890 174.3910 69 Q 4.4680 8.0315 120.0278 55.6177 29.3675 176.6959 70 L 3.8768 7.7349 122.1079 58.7783 41.8936 178.7691 71 N 4.4323 8.0925 115.7426 56.2892 38.9999 176.4635 72 D 4.3657 8.0498 120.2045 57.2140 40.8982 178.4986 73 L 3.9812 8.3159 119.9000 57.7239 41.6458 179.1260 74 Q 3.9496 8.1293 119.2645 59.2587 28.9574 178.4501 75 A 3.9547 8.1837 121.6460 55.1513 18.4286 179.3902 76 F 4.0167 8.3815 119.1650 61.6122 39.4724 177.6268 77 R 4.0684 8.4552 117.8420 59.1814 29.9228 179.3590 78 S 4.0347 8.2194 115.0913 61.5912 62.6792 176.6182 79 R 3.5910 7.9487 120.7403 59.0093 29.7340 176.6970 80 Y 4.3957 7.5324 112.0535 57.0938 38.7359 175.1080 81 G 3.6657 7.5736 106.2245 46.9186 0.0000 175.6152 82 I 4.6304 8.0876 120.0861 59.2885 37.6473 175.6087 83 P 4.4845 0.0000 0.0000 64.2505 32.3404 177.1483 84 T 4.7671 7.2067 104.9269 59.7980 71.7055 173.3676 85 V 4.6467 8.0013 114.9776 58.5718 34.7884 174.0581 86 P 4.8359 0.0000 0.0000 63.0324 32.6770 175.2218 87 G 4.4654 9.3390 108.8133 44.4350 0.0000 171.3939 88 F 5.8123 9.4135 125.4453 56.2032 42.6725 173.7654 89 V 5.0295 9.0418 125.9655 61.4578 34.4783 173.3375 90 H 5.1711 9.4273 128.3418 54.4039 32.3146 172.3783 91 I 4.8740 8.3549 126.8554 59.8335 39.8452 174.6399 92 T 4.8510 8.8144 119.4070 62.3710 71.2996 172.6779 93 D 4.3073 9.7437 126.0733 55.4193 39.7166 174.1985 94 G 3.8915 8.3536 102.4152 45.6393 0.0000 173.4845 95 Q 4.6413 7.9178 117.8555 53.9847 31.0651 174.0061 96 I 4.9111 7.9332 117.7742 59.2396 41.0820 173.9798 97 N 5.1421 9.1015 125.5542 51.4200 41.8968 173.4420 98 V 5.0851 8.6970 122.8057 61.1436 34.6590 174.5085 99 R 4.5285 9.1985 127.2750 55.0037 33.3149 173.5830 100 C 5.1714 8.5984 124.2592 57.0474 28.6069 172.0519 101 D 4.2738 7.8746 120.1121 53.1577 41.6034 175.3677 102 S 4.3468 8.6156 122.6287 60.2233 63.3714 174.7972 103 S 4.3485 8.1660 117.1368 57.3642 63.8002 174.3516 *105 S 4.1853 8.3217 118.6018 57.6278 65.1930 174.5861 106 A 3.8561 8.2108 122.9524 55.4841 17.9633 179.6753 107 Q 3.8895 7.9723 117.4501 59.1934 29.1576 177.7170 108 E 3.9883 8.2676 120.3821 59.3275 29.6913 178.8077 109 I 3.8533 8.0538 120.0667 64.4468 37.1588 178.5229 110 K 4.0449 8.2393 119.2038 59.5660 31.7674 178.9499 111 D 4.4151 8.5045 119.4968 57.6498 40.6097 178.8975 112 F 4.1767 8.5292 119.3987 60.6345 39.5007 175.9839 113 A 4.2599 8.2105 117.5844 50.8151 19.0858 176.9729 114 G 3.8196 7.4882 105.4750 46.6875 0.0000 174.3608 115 L 4.2371 8.0556 125.1849 54.5538 41.7184 176.8430 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 S 8.33 4.46 0.00 3.98 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 -1 N 8.77 4.18 0.00 2.85 2.93 0.00 0.00 6.70 6.27 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 A 8.25 4.31 1.24 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 0.00 0.00 0 E 8.43 4.34 0.00 1.69 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 2.29 2.28 0.00 3 Q 8.25 3.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 4 F 8.28 4.08 0.00 3.19 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 5 L 8.04 3.92 0.00 1.84 1.73 nan 1.16 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 6 D 7.98 4.39 0.00 2.76 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 7 N 8.15 4.29 0.00 2.63 2.83 0.00 0.00 7.05 7.00 0.00 0.00 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 I 7.19 4.09 1.39 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.06 0.00 0.00 9 K 7.77 3.89 0.00 1.86 2.10 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.37 7.81 10 D 7.81 4.72 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.49 0.00 1.67 1.82 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.52 4.48 0.00 2.02 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 2.52 2.36 0.00 13 V 8.53 4.40 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 0.90 0.00 0.00 1.16 0.00 0.00 14 T 8.76 4.75 4.45 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 1.32 0.00 0.00 15 T 8.19 4.61 4.30 0.00 0.00 0.00 0.00 0.00 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 16 V 7.84 2.85 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 0.18 0.00 0.00 0.85 0.00 0.00 17 V 7.25 3.52 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 0.96 0.00 0.00 0.89 0.00 0.00 18 R 7.74 3.78 0.00 1.87 1.94 0.00 3.26 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 19 A 7.20 3.32 0.18 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 20 Q 8.05 3.96 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 21 E 8.38 3.88 0.00 2.05 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 2.31 2.33 0.00 22 A 7.87 4.31 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 23 L 7.93 3.89 0.00 1.88 1.71 0.61 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.18 4.41 0.00 2.64 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 25 K 8.30 4.28 0.00 1.81 1.85 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.56 7.81 26 K 7.65 3.86 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.35 7.81 27 E 8.13 4.47 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 2.32 0.00 28 T 8.20 4.94 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 1.22 0.00 0.00 29 A 8.76 4.70 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 30 T 8.22 5.10 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 0.94 0.00 0.00 31 F 9.53 5.37 0.00 2.87 2.97 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 32 F 10.01 5.79 0.00 3.57 3.53 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 33 I 8.81 4.56 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 1.12 1.57 1.08 0.00 0.00 34 G 7.65 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 0.00 0.00 0.00 0.00 35 R 7.95 5.17 0.00 1.94 1.98 0.00 3.13 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 36 K 8.68 2.48 0.00 1.45 1.62 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.30 7.81 37 T 7.61 3.93 4.19 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 1.22 0.00 0.00 38 C 7.69 4.55 0.00 3.04 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 39 P 0.00 4.09 0.00 1.73 2.04 0.00 3.59 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 1.21 1.74 0.00 40 Y 7.35 4.26 0.00 3.12 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 41 C 8.24 4.51 0.00 3.32 3.37 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 R 8.26 4.32 0.00 2.03 2.08 0.00 3.33 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 43 K 8.33 3.93 0.00 1.89 2.10 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.49 7.81 44 F 8.51 3.91 0.00 3.15 3.13 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 0.00 0.00 0.00 45 A 8.60 3.72 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 46 G 7.98 3.47 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 0.00 47 T 7.33 3.69 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 1.00 0.00 0.00 48 L 7.38 3.53 0.00 0.73 1.22 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.19 4.05 0.00 3.93 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 50 G 7.68 3.48 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 0.00 51 V 7.53 3.52 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 1.05 0.00 0.00 0.92 0.00 0.00 52 V 8.05 3.52 2.14 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 0.97 0.00 0.00 0.94 0.00 0.00 53 A 7.93 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.99 0.00 1.98 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 0.00 2.30 2.29 0.00 55 T 8.00 4.26 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 1.25 0.00 0.00 56 K 8.12 3.82 0.00 1.90 1.90 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.49 7.81 57 A 7.60 4.10 1.24 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 0.00 0.00 58 H 8.52 4.73 0.00 2.97 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.70 4.53 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 1.24 0.00 0.00 60 Y 8.58 4.93 0.00 2.57 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 61 F 9.34 5.62 0.00 3.16 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 62 I 8.07 4.40 1.63 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 1.17 0.63 0.65 0.00 0.00 63 N 8.06 4.49 0.00 2.85 2.61 0.00 0.00 6.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.98 4.47 0.00 3.85 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 65 E 8.24 4.62 0.00 2.05 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 2.20 0.00 66 E 8.07 3.97 0.00 2.04 1.85 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 2.29 2.32 0.00 67 P 0.00 4.25 0.00 2.21 2.11 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 68 S 8.06 4.30 0.00 3.97 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 69 Q 8.03 4.47 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 70 L 7.73 3.88 0.00 1.80 1.69 0.92 0.55 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 71 N 8.09 4.43 0.00 2.87 2.78 0.00 0.00 7.09 8.49 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 72 D 8.05 4.37 0.00 2.70 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 73 L 8.32 3.98 0.00 1.88 1.71 1.00 0.71 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 74 Q 8.13 3.95 0.00 2.18 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 75 A 8.18 3.95 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 76 F 8.38 4.02 0.00 3.27 3.05 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 0.00 0.00 0.00 0.00 77 R 8.46 4.07 0.00 2.01 2.19 0.00 3.22 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.97 0.00 78 S 8.22 4.03 0.00 4.00 3.84 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 79 R 7.95 3.59 0.00 1.43 1.33 0.00 2.90 0.00 0.00 2.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 80 Y 7.53 4.40 0.00 2.62 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 81 G 7.57 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 82 I 8.09 4.63 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.05 1.00 0.00 0.00 83 P 0.00 4.48 0.00 2.18 2.18 0.00 3.76 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 1.99 1.95 0.00 84 T 7.21 4.77 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 1.22 0.00 0.00 85 V 8.00 4.65 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 0.89 0.00 0.00 0.99 0.00 0.00 86 P 0.00 4.84 0.00 1.70 2.39 0.00 3.72 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.18 0.00 87 G 9.34 4.47 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 0.00 88 F 9.41 5.81 0.00 2.71 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 89 V 9.04 5.03 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 0.93 0.00 0.00 1.12 0.00 0.00 90 H 9.43 5.17 0.00 2.86 2.59 0.00 5.78 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.35 4.87 2.11 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.52 1.01 0.00 0.00 92 T 8.81 4.85 4.11 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 1.16 0.00 0.00 93 D 9.74 4.31 0.00 2.75 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 94 G 8.35 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 95 Q 7.92 4.64 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 96 I 7.93 4.91 1.58 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.79 0.00 0.00 97 N 9.10 5.14 0.00 2.51 2.57 0.00 0.00 6.22 7.42 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 98 V 8.70 5.09 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 0.87 0.00 0.00 1.01 0.00 0.00 99 R 9.20 4.53 0.00 1.64 1.30 0.00 2.98 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 100 C 8.60 5.17 0.00 2.86 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 0.00 101 D 7.87 4.27 0.00 2.54 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 0.00 102 S 8.62 4.35 0.00 4.37 4.11 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 0.00 103 S 8.17 4.35 0.00 4.02 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 *105 S 8.32 4.19 0.00 4.07 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 0.00 106 A 8.21 3.86 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 0.00 107 Q 7.97 3.89 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 108 E 8.27 3.99 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 109 I 8.05 3.85 1.94 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.86 0.00 0.00 110 K 8.24 4.04 0.00 1.96 1.89 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.69 7.81 111 D 8.50 4.42 0.00 2.96 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 0.00 112 F 8.53 4.18 0.00 3.22 3.45 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 0.00 113 A 8.21 4.26 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 0.00 114 G 7.49 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 0.00 0.00 0.00 115 L 8.06 4.24 0.00 1.68 1.60 0.98 0.70 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 * Residues marked with a * may have inaccurate shift predictions.