NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 3.3285 8.1133 120.7237 56.3820 32.1768 177.5562 3 T 3.5422 7.5865 114.1905 65.5481 68.3981 174.6598 4 L 3.9519 8.5454 122.9971 58.3250 42.4165 178.4957 5 L 4.1508 7.7830 118.1369 57.9518 41.6438 179.4250 6 I 3.0204 7.6395 119.5693 64.2897 36.9119 178.7348 7 R 3.9472 8.1237 118.9248 59.3934 29.9169 178.2430 8 Y 2.9249 8.3482 119.6277 60.4441 38.5190 178.0216 9 I 3.1397 7.6211 119.8525 64.3816 37.6049 178.0715 10 L 3.5927 7.7621 119.4287 57.3748 41.4122 179.4597 11 W 4.2627 8.3106 128.5022 60.3957 30.8725 177.7444 12 R 3.1786 8.2530 118.0369 57.9238 29.1046 177.0811 13 N 5.0243 7.9808 117.4580 53.7816 39.4869 175.1697 14 D 4.7273 7.5079 116.0757 51.7851 41.0252 175.5158 15 N 3.4662 8.3761 116.9408 53.9330 38.3858 172.8399 16 D 4.5056 8.1361 116.3819 54.3185 41.5643 176.6923 17 Q 4.2797 9.2077 128.9035 59.5199 29.2241 178.5428 18 T 3.7435 8.3656 107.1786 64.0841 68.6854 174.3584 19 Y 4.6999 7.7235 117.9659 57.8028 38.2760 174.9926 20 Y 3.8885 8.0398 122.1277 57.0041 39.9993 174.0143 21 N 4.0062 5.7700 120.3659 50.8040 41.9260 175.0076 22 D 4.7219 8.1388 126.8842 56.4423 40.7035 178.7688 23 D 4.4730 8.9525 120.4812 57.0111 40.2050 178.3891 24 F 4.3336 7.9882 119.0635 60.2298 38.5192 176.9518 25 K 3.9474 7.6868 118.6662 60.0058 31.9625 178.2622 26 K 4.0549 7.5356 115.8872 59.1619 32.4511 180.2597 27 L 4.0423 7.3866 119.5851 54.2910 40.6774 179.2841 *29 L 4.3137 8.0657 120.1431 54.8695 43.7744 179.3703 30 L 4.0806 7.8843 118.1489 57.3019 41.3081 178.8697 31 D 4.4750 8.3451 118.9330 57.7833 40.4662 178.3828 32 E 3.9771 7.7953 117.5942 59.5287 29.6420 178.5175 33 L 4.1769 7.9198 115.4539 55.7076 41.7540 176.8313 34 V 4.3232 7.7071 119.5578 60.5497 33.1944 174.4096 35 D 4.4953 8.5839 127.0295 53.9809 41.7453 176.3017 36 D 4.6765 8.8378 125.9315 55.8089 40.6614 178.7610 37 G 3.5680 8.0697 108.8100 47.2667 0.0000 175.5725 38 D 4.3598 8.0522 121.6782 56.9241 40.8938 178.7749 39 V 3.5350 7.8309 117.9675 66.3032 31.4580 177.6047 40 S 4.0857 7.9947 112.4967 61.7989 62.0957 176.0670 41 T 3.8124 8.1507 118.4302 66.6878 68.0201 175.7204 42 L 3.8646 8.0816 121.1313 58.7386 42.1134 178.5983 43 I 3.7915 7.9564 118.7828 64.4991 37.1916 177.9421 44 K 4.1137 7.7913 118.9075 59.3841 32.2204 180.3205 45 N 4.5481 7.9825 115.9267 52.8396 39.0013 175.4934 *47 R 4.0227 8.0529 116.4552 56.4124 31.5876 177.4236 *49 T 4.0876 7.9270 107.0237 60.1125 71.1084 173.0847 50 L 3.5749 7.1004 121.0226 54.8125 39.3828 173.2948 51 S 4.4966 7.2056 109.3117 57.4432 65.8990 175.6074 52 D 4.1547 9.0814 121.2568 57.8864 41.2436 181.4415 53 G 3.0690 7.8119 98.4330 42.7643 0.0000 174.9108 54 P 4.2110 0.0000 0.0000 65.3583 32.2010 177.6873 55 L 3.9212 7.7583 118.1539 58.1550 41.8686 178.6882 56 L 3.9172 7.6460 117.7837 57.8215 41.7723 179.0566 57 D 4.4593 8.0547 118.7539 57.4588 40.8828 178.7729 58 R 4.0516 8.0206 119.1048 59.4496 29.8417 178.3577 59 L 4.1631 7.9800 117.4786 56.8163 41.7134 178.0765 60 N 4.6852 7.8584 114.7582 52.8166 39.0437 175.1835 61 Q 4.2197 7.1336 119.2993 55.0241 29.4843 174.3236 62 P 4.4701 0.0000 0.0000 62.3908 32.0450 176.8619 63 V 4.3088 8.0730 118.8458 61.8600 32.8794 174.6198 64 N 5.0054 9.9693 125.3217 52.8173 39.3253 174.8240 65 N 4.9341 7.3063 116.5473 51.7331 40.8844 174.9211 66 I 3.2280 8.2569 120.6051 63.9463 37.9403 177.6059 67 E 3.8653 8.1064 119.9480 59.0818 29.3384 177.9526 68 D 4.3081 8.7430 118.0779 57.4755 41.0182 178.3398 69 A 4.0601 7.2521 119.3094 55.4486 18.6160 179.2610 70 K 4.0402 8.2096 116.8076 59.6389 32.1061 180.1279 71 R 4.2191 7.9223 116.8749 56.7771 29.8483 178.2564 *73 I 4.1631 7.8052 119.3341 60.9263 39.4193 177.9263 74 A 4.0634 8.2719 121.9432 55.3814 18.2468 179.5369 75 I 3.6458 8.4051 117.3768 64.2480 37.9631 178.3500 76 S 4.1443 8.0750 115.4276 61.4530 62.8123 176.1694 77 A 3.7571 8.3391 123.8335 55.2019 18.0976 179.9262 78 K 3.9451 8.4285 117.3450 59.3026 32.0318 179.8555 79 V 3.5459 7.9397 118.3848 66.0456 31.6154 177.7225 80 A 4.2038 8.4704 120.8984 55.4451 17.7459 179.5594 81 R 4.2541 7.7188 118.2725 59.3445 30.1150 178.4943 82 D 4.4152 8.3524 117.7871 56.5766 40.9268 178.2701 83 I 3.8347 7.8961 119.6201 62.4341 38.3662 175.6283 84 G 4.1791 6.6887 106.5709 44.0913 0.0000 173.5749 85 E 4.4373 8.5385 121.4578 57.3650 30.0301 177.5513 86 R 4.1865 7.8547 115.2162 56.8059 30.5143 176.3989 87 S 4.2247 7.8452 115.2743 58.3749 62.7688 175.0098 88 E 4.2586 8.5238 126.6739 55.6140 27.1668 174.5909 89 I 4.0637 7.2915 121.3136 59.1040 39.5636 177.7596 90 R 4.2452 7.8920 126.1037 54.2455 28.1110 176.8277 91 W 3.9333 8.1067 123.7851 59.5378 29.3768 177.2832 92 E 4.2651 8.3766 118.0637 59.5593 28.8842 179.0815 93 E 4.0393 8.0160 118.0485 59.6201 29.5032 179.5204 94 S 4.0026 7.7670 114.5299 61.7249 62.8840 176.7409 95 F 4.0210 7.9085 120.4269 60.5383 38.3343 177.8666 96 T 3.9642 7.7260 114.7430 66.7061 68.7126 176.4837 97 I 3.8441 7.6886 121.5003 64.2962 36.9886 177.9144 98 L 3.9464 7.7739 120.0348 58.6978 42.1024 178.9908 99 F 4.9471 8.3755 117.5344 60.1510 38.5763 177.9518 100 R 4.0696 7.5319 114.4389 57.1773 29.8869 177.0898 *102 I 4.2694 7.6728 110.0753 59.4998 39.7938 176.5534 103 E 2.0000 8.3493 123.1746 59.6569 28.9649 178.7574 104 T 3.7878 7.6260 110.9757 64.5974 67.3298 174.5914 105 Y 4.5172 8.1317 117.6244 58.0362 37.7780 177.0165 106 F 4.6858 7.7796 119.4743 61.0700 39.1308 176.5627 107 D 4.6752 8.3409 117.1611 58.1254 41.0391 178.8833 108 D 4.6353 8.2051 118.2992 56.9793 40.7792 178.9394 109 L 4.3262 8.3038 118.2314 55.1408 41.0166 179.2379 *111 I 4.1025 7.6979 120.4467 61.5606 38.9218 177.7123 112 D 4.0949 8.4602 118.3858 56.6578 41.1772 177.0328 113 L 4.1229 7.9083 117.7104 55.5461 42.6892 175.3274 114 Y 4.6673 7.0321 114.0752 56.4548 41.3143 175.5334 *115 G 3.7274 8.6612 109.2491 46.6971 0.0000 172.7173 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 R 8.11 3.33 0.00 1.54 1.72 0.00 3.08 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.00 3 T 7.59 3.54 4.13 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 1.15 0.00 0.00 4 L 8.55 3.95 0.00 1.66 1.57 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.78 4.15 0.00 1.92 2.03 1.09 1.04 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 6 I 7.64 3.02 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.73 0.68 0.00 0.00 7 R 8.12 3.95 0.00 2.12 2.27 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 8 Y 8.35 2.92 0.00 2.51 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 9 I 7.62 3.14 1.96 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 1.75 1.21 0.52 0.00 0.00 10 L 7.76 3.59 0.00 1.78 1.55 0.89 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.31 4.26 0.00 3.64 3.34 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 12 R 8.25 3.18 0.00 1.42 1.50 0.00 3.02 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 13 N 7.98 5.02 0.00 2.38 2.59 0.00 0.00 6.98 8.08 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 14 D 7.51 4.73 0.00 2.78 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 15 N 8.38 3.47 0.00 2.57 2.84 0.00 0.00 7.08 8.38 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 16 D 8.14 4.51 0.00 3.06 3.04 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 17 Q 9.21 4.28 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 18 T 8.37 3.74 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 1.16 0.00 0.00 19 Y 7.72 4.70 0.00 3.32 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 20 Y 8.04 3.89 0.00 2.85 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 21 N 5.77 4.01 0.00 2.04 1.42 0.00 0.00 6.93 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 22 D 8.14 4.72 0.00 2.64 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 23 D 8.95 4.47 0.00 2.42 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 24 F 7.99 4.33 0.00 2.57 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 25 K 7.69 3.95 0.00 2.04 1.88 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.27 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.62 7.81 26 K 7.54 4.05 0.00 1.74 1.47 0.00 1.75 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.46 7.81 27 L 7.39 4.04 0.00 1.05 0.85 0.50 0.52 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 *29 L 8.07 4.31 0.00 2.04 1.74 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.88 4.08 0.00 1.86 1.77 0.96 0.90 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 31 D 8.35 4.47 0.00 2.82 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 32 E 7.80 3.98 0.00 1.89 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 0.00 2.37 2.44 0.00 33 L 7.92 4.18 0.00 1.64 1.72 0.99 0.70 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 34 V 7.71 4.32 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 0.78 0.00 0.00 1.00 0.00 0.00 35 D 8.58 4.50 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.68 0.00 2.81 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 37 G 8.07 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.36 0.00 2.79 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 39 V 7.83 3.53 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 1.07 0.00 0.00 0.98 0.00 0.00 40 S 7.99 4.09 0.00 4.01 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 41 T 8.15 3.81 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 1.20 0.00 0.00 42 L 8.08 3.86 0.00 1.77 1.90 0.92 1.13 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 43 I 7.96 3.79 2.02 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 1.58 0.91 0.90 0.00 0.00 44 K 7.79 4.11 0.00 1.85 2.02 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 45 N 7.98 4.55 0.00 2.82 2.80 0.00 0.00 7.09 7.54 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 *47 R 8.05 4.02 0.00 1.87 1.96 0.00 3.14 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 *49 T 7.93 4.09 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 1.22 0.00 0.00 50 L 7.10 3.57 0.00 1.89 1.70 0.89 0.75 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 51 S 7.21 4.50 0.00 3.84 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 52 D 9.08 4.15 0.00 2.67 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 53 G 7.81 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 54 P 0.00 4.21 0.00 2.12 2.11 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 55 L 7.76 3.92 0.00 1.68 1.74 0.92 0.50 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 56 L 7.65 3.92 0.00 1.81 1.67 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.05 4.46 0.00 2.86 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 58 R 8.02 4.05 0.00 1.84 1.92 0.00 3.25 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 59 L 7.98 4.16 0.00 1.77 1.70 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.86 4.69 0.00 2.91 2.85 0.00 0.00 7.00 7.30 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 61 Q 7.13 4.22 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 62 P 0.00 4.47 0.00 2.05 1.99 0.00 3.62 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 2.03 2.07 0.00 63 V 8.07 4.31 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 0.64 0.00 0.00 0.93 0.00 0.00 64 N 9.97 5.01 0.00 2.63 2.86 0.00 0.00 6.86 7.88 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 65 N 7.31 4.93 0.00 2.96 2.91 0.00 0.00 6.36 7.78 0.00 0.00 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 I 8.26 3.23 2.00 0.00 0.00 0.94 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 1.70 0.92 0.00 0.00 67 E 8.11 3.87 0.00 2.11 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 2.37 2.44 0.00 68 D 8.74 4.31 0.00 2.75 2.65 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 69 A 7.25 4.06 1.10 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 0.00 0.00 70 K 8.21 4.04 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.71 7.81 71 R 7.92 4.22 0.00 2.09 1.91 0.00 3.12 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 *73 I 7.81 4.16 2.14 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 1.55 0.86 1.13 0.00 0.00 74 A 8.27 4.06 1.49 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 0.00 0.00 75 I 8.41 3.65 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.99 0.00 0.00 76 S 8.08 4.14 0.00 4.14 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 77 A 8.34 3.76 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 78 K 8.43 3.95 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.47 7.81 79 V 7.94 3.55 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 1.13 0.00 0.00 1.03 0.00 0.00 80 A 8.47 4.20 1.11 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 0.00 0.00 81 R 7.72 4.25 0.00 1.83 2.05 0.00 3.09 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 82 D 8.35 4.42 0.00 2.64 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 83 I 7.90 3.83 2.00 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 1.42 0.62 1.11 0.00 0.00 84 G 6.69 4.18 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 0.00 85 E 8.54 4.44 0.00 2.03 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 2.29 2.28 0.00 86 R 7.85 4.19 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 87 S 7.85 4.22 0.00 3.89 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 88 E 8.52 4.26 0.00 1.91 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 2.29 2.32 0.00 89 I 7.29 4.06 0.78 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.28 -0.63 0.00 0.00 90 R 7.89 4.25 0.00 1.69 1.88 0.00 3.35 0.00 0.00 3.37 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 91 W 8.11 3.93 0.00 3.40 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 92 E 8.38 4.27 0.00 2.12 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 0.00 2.50 2.63 0.00 93 E 8.02 4.04 0.00 2.01 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 2.30 2.30 0.00 94 S 7.77 4.00 0.00 3.64 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 95 F 7.91 4.02 0.00 3.23 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 96 T 7.73 3.96 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 1.26 0.00 0.00 97 I 7.69 3.84 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.92 0.00 0.00 98 L 7.77 3.95 0.00 1.57 1.71 1.03 1.08 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 99 F 8.38 4.95 0.00 3.22 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 0.00 100 R 7.53 4.07 0.00 2.12 2.09 0.00 3.32 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 *102 I 7.67 4.27 2.05 0.00 0.00 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 1.87 1.31 1.00 0.00 0.00 103 E 8.35 2.00 0.00 2.03 1.80 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 2.11 1.92 0.00 104 T 7.63 3.79 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 0.85 0.00 0.00 105 Y 8.13 4.52 0.00 3.14 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 0.00 106 F 7.78 4.69 0.00 3.05 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 0.00 107 D 8.34 4.68 0.00 2.69 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 0.00 108 D 8.21 4.64 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 0.00 109 L 8.30 4.33 0.00 2.10 1.78 1.17 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *111 I 7.70 4.10 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.94 0.00 0.00 112 D 8.46 4.09 0.00 2.76 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 0.00 113 L 7.91 4.12 0.00 1.43 0.36 0.82 0.40 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 0.00 114 Y 7.03 4.67 0.00 2.77 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 *115 G 8.66 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 * Residues marked with a * may have inaccurate shift predictions.