NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3854 0.0000 0.0000 62.2625 31.9437 177.1058 3 K 4.2200 8.8586 124.1939 54.9629 29.9528 173.4816 4 K 4.4489 7.6741 122.4960 52.8526 35.1521 173.9257 5 V 4.9116 8.2913 126.3809 61.4643 34.3678 174.0128 6 L 4.9859 8.8801 126.7539 52.9823 46.1990 175.1943 7 T 4.8578 8.1162 109.5046 60.2599 71.3989 173.2334 8 G 4.5435 8.3969 109.8936 46.0596 0.0000 172.0242 9 V 4.2155 8.1313 119.8399 62.3602 33.4185 174.8270 10 V 4.4085 8.6636 127.7683 61.7667 32.7013 176.5799 11 V 4.9516 9.1794 124.2220 59.5872 32.1570 176.3764 12 S 5.5476 7.3207 123.8800 58.7680 64.3581 176.0435 13 D 5.2601 7.9525 127.0679 52.9597 39.7572 178.0080 14 K 4.0441 7.5964 121.7785 60.1063 32.1751 177.7369 15 M 4.3184 7.1364 113.8572 54.4001 32.7688 176.2484 16 Q 4.1212 8.4384 120.2427 56.3126 28.6687 176.3593 17 K 4.0136 9.4473 124.4997 56.9017 28.6450 175.9505 18 T 4.8417 7.4480 111.2746 63.2298 73.2135 174.8484 19 V 4.7401 8.2192 116.4513 60.3263 36.6137 174.3451 20 T 4.4885 9.0584 123.3273 63.4754 69.6468 173.6479 21 V 4.6542 8.8579 127.6408 60.8712 34.1316 174.1878 22 L 4.5876 9.3030 132.4071 54.4468 42.6360 175.3992 23 V 4.3982 8.7757 127.5092 61.3377 33.7336 175.2868 24 E 5.0525 8.7425 128.0890 55.3834 31.9724 175.0878 25 R 4.4378 7.5972 115.5972 56.8954 31.7999 172.7291 26 Q 5.3171 8.9583 117.7618 52.7702 33.3308 174.2776 27 F 4.8828 7.6236 115.2574 56.4235 39.8437 171.3104 28 P 5.1626 0.0000 0.0000 61.5346 33.1168 175.1100 29 H 4.5345 9.3882 122.7051 55.2826 30.5646 174.6542 30 P 4.6162 0.0000 0.0000 63.1844 30.5722 176.2728 31 L 4.4688 8.7797 119.5794 56.1811 47.4861 175.6403 32 Y 4.3966 7.6344 113.7341 56.5428 38.4203 175.5056 33 G 3.9704 7.0104 108.0190 44.9302 0.0000 173.0893 34 K 4.8986 6.8258 113.8505 50.4131 34.1352 175.4459 35 V 4.1586 8.3846 126.9487 63.2726 33.0527 174.6741 36 I 4.3173 7.8958 114.2788 59.6741 40.6876 173.6905 37 K 5.3437 8.4105 124.0519 55.2844 34.6859 175.6251 38 R 4.6666 8.1475 120.5458 55.3569 33.8690 174.6231 39 S 4.9273 8.4719 121.6747 57.2775 65.6682 172.9711 40 K 4.5279 7.4417 122.9161 56.5985 36.0700 173.9752 41 K 4.9649 8.7255 126.8885 55.9353 33.9818 175.7452 42 Y 4.5397 8.7429 119.9039 56.5308 42.2898 174.9466 43 L 4.6322 8.7669 124.5134 53.7653 41.7050 174.1744 44 A 4.6011 8.6633 125.1063 51.0584 19.6945 176.6122 45 H 4.4479 9.4181 123.3230 56.8975 31.7619 173.6367 46 D 4.8323 7.6604 114.9036 53.0305 42.1677 174.1375 47 P 4.2450 0.0000 0.0000 65.3996 31.5553 178.6516 48 E 4.0237 8.1914 116.1464 56.7578 29.8434 176.1626 49 E 3.8028 7.7943 118.0918 57.2357 27.0982 175.0723 50 K 4.1622 7.3630 115.5883 57.7724 34.4052 176.1021 51 Y 4.0939 6.8884 118.5374 57.3627 38.7162 176.0580 52 K 4.7277 8.4991 120.9509 54.1699 36.1718 174.9001 53 L 4.2328 8.3753 120.4193 56.7586 42.5065 175.9101 54 G 4.2836 8.8311 111.9827 45.6682 0.0000 173.8577 55 D 4.6596 7.8704 119.0150 54.3318 42.4229 176.2770 56 V 4.5769 8.4896 121.9554 61.6792 33.5407 174.8728 57 V 4.7019 8.1210 121.3726 59.5762 35.5253 174.2714 58 E 4.8975 8.0123 120.4483 55.0762 31.3939 175.6147 59 I 4.7394 9.7766 125.4466 59.7581 39.4481 174.5464 60 I 5.0055 8.5772 126.4503 58.6942 40.9377 174.2894 61 E 3.9031 8.9579 130.1476 57.6141 30.2276 175.7501 62 S 4.5530 7.5437 119.4463 57.5203 67.9332 174.1771 63 R 3.9389 8.4113 121.4982 55.3063 30.3161 174.0746 64 P 4.3260 0.0000 0.0000 63.6643 31.6373 176.1197 65 I 4.1200 8.4811 124.7359 63.1828 38.5015 176.4812 66 S 4.4061 7.2364 115.3997 58.6649 65.8891 175.1796 67 K 4.2583 8.3016 121.3250 55.4045 33.3408 177.7823 68 R 3.5602 8.4114 116.6116 57.5693 29.3148 176.6598 69 K 4.7068 9.7398 115.4523 54.5584 31.4981 176.5039 70 R 4.9185 8.1156 126.6397 55.0207 31.6341 174.8227 71 F 5.1248 8.0750 114.8115 56.9236 44.0420 173.7141 72 R 5.0112 8.7811 117.9377 54.6214 34.8853 174.5785 73 V 3.9119 7.6047 122.6067 62.6862 31.6596 175.4614 74 L 4.3594 9.4401 133.0284 56.7550 41.8484 176.5940 75 R 4.8104 7.4672 112.9646 54.4942 32.8090 173.2092 76 L 4.0685 9.1225 125.3242 57.4489 42.5146 174.0677 77 V 3.8342 8.9745 127.4809 64.0664 31.5102 177.1374 78 E 4.5428 9.2490 117.8230 54.7622 31.8144 177.5358 79 S 4.3500 8.8508 119.4104 58.1325 63.3258 171.1570 80 G 3.8902 8.2611 118.1124 46.0694 0.0000 175.1485 81 R 5.0749 8.0432 127.6065 53.7714 31.6912 177.2436 82 M 4.3197 8.3300 118.8644 57.6445 32.2247 177.5829 83 D 4.4007 8.0022 119.7619 56.0688 39.6810 178.3257 84 L 4.0454 8.3078 120.6358 57.3976 41.9048 178.9716 85 V 3.6986 7.9550 117.6433 66.4447 31.0990 177.8150 86 E 3.9525 8.3382 117.9071 59.4671 29.4323 179.2500 87 K 3.8561 7.9830 118.4956 59.5634 31.9261 178.7051 88 Y 4.2216 7.9108 119.0752 60.6827 38.8933 177.3668 89 L 3.5915 7.9969 118.2637 56.9530 41.8412 179.3101 90 I 3.9037 7.9007 120.5920 64.0641 35.8942 178.1508 91 R 3.7891 7.6653 118.9137 58.8340 29.5296 177.3331 92 R 3.6228 7.5316 116.8960 56.1724 30.0434 176.4794 93 Q 4.4045 7.6550 119.6594 57.4152 30.6197 177.0202 94 N 4.2701 7.3906 116.6463 56.3892 38.6972 175.7907 95 Y 4.3209 7.4214 117.4482 61.5097 37.9558 178.4552 96 E 3.8660 8.3230 118.2192 60.1721 30.0472 180.1584 97 S 4.6343 7.9540 111.4590 58.8267 62.0939 175.0082 98 L 4.7415 8.3659 121.1952 55.1498 44.7204 178.8538 99 S 4.5247 7.1538 110.2781 58.5694 63.2482 174.8302 100 K 4.4744 8.2102 113.5421 56.7989 34.0416 176.4491 *101 R 4.1415 7.8146 120.2306 56.3027 30.0213 176.7457 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 P 0.00 4.39 0.00 2.20 2.17 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 3 K 8.86 4.22 0.00 1.87 1.85 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 4 K 7.67 4.45 0.00 1.95 1.74 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.64 7.81 5 V 8.29 4.91 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 1.00 0.00 0.00 6 L 8.88 4.99 0.00 1.24 1.29 0.41 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.12 4.86 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 1.14 0.00 0.00 8 G 8.40 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.13 4.22 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 0.93 0.00 0.00 0.90 0.00 0.00 10 V 8.66 4.41 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 0.93 0.00 0.00 0.97 0.00 0.00 11 V 9.18 4.95 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 0.73 0.00 0.00 0.65 0.00 0.00 12 S 7.32 5.55 0.00 4.02 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 13 D 7.95 5.26 0.00 2.85 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 14 K 7.60 4.04 0.00 1.61 1.95 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 15 M 7.14 4.32 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 16 Q 8.44 4.12 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 17 K 9.45 4.01 0.00 1.98 1.96 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.47 7.81 18 T 7.45 4.84 4.28 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 1.26 0.00 0.00 19 V 8.22 4.74 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 0.86 0.00 0.00 0.97 0.00 0.00 20 T 9.06 4.49 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 1.19 0.00 0.00 21 V 8.86 4.65 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 0.87 0.00 0.00 0.98 0.00 0.00 22 L 9.30 4.59 0.00 1.45 1.48 0.86 -0.16 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 23 V 8.78 4.40 1.90 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 0.81 0.00 0.00 0.59 0.00 0.00 24 E 8.74 5.05 0.00 1.87 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 0.00 2.25 2.11 0.00 25 R 7.60 4.44 0.00 1.93 2.04 0.00 3.14 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 26 Q 8.96 5.32 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.10 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 27 F 7.62 4.88 0.00 3.14 3.18 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 28 P 0.00 5.16 0.00 2.22 2.15 0.00 3.61 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.88 0.00 29 H 9.39 4.53 0.00 3.41 3.42 0.00 5.60 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 30 P 0.00 4.62 0.00 2.26 2.18 0.00 4.03 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 31 L 8.78 4.47 0.00 1.48 1.62 0.63 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.63 4.40 0.00 2.79 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 33 G 7.01 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 34 K 6.83 4.90 0.00 1.93 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 35 V 8.38 4.16 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 0.84 0.00 0.00 0.92 0.00 0.00 36 I 7.90 4.32 1.61 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 0.93 -0.36 0.82 0.00 0.00 37 K 8.41 5.34 0.00 1.72 1.76 0.00 1.13 0.00 0.00 2.25 0.00 0.00 2.65 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.22 7.81 38 R 8.15 4.67 0.00 1.99 1.87 0.00 3.38 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 39 S 8.47 4.93 0.00 3.82 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 40 K 7.44 4.53 0.00 2.10 1.88 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.93 1.09 7.81 41 K 8.73 4.96 0.00 1.64 1.68 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.40 7.81 42 Y 8.74 4.54 0.00 2.66 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 43 L 8.77 4.63 0.00 1.67 1.68 0.95 0.93 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 44 A 8.66 4.60 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 45 H 9.42 4.45 0.00 3.27 3.35 0.00 5.83 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 46 D 7.66 4.83 0.00 2.78 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 47 P 0.00 4.24 0.00 2.25 2.26 0.00 3.78 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 2.02 2.06 0.00 48 E 8.19 4.02 0.00 1.98 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 2.31 2.35 0.00 49 E 7.79 3.80 0.00 2.10 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 2.27 2.44 0.00 50 K 7.36 4.16 0.00 1.65 1.67 0.00 1.20 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.21 7.81 51 Y 6.89 4.09 0.00 2.96 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 52 K 8.50 4.73 0.00 1.90 1.91 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.54 7.81 53 L 8.38 4.23 0.00 1.84 1.68 0.97 1.08 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 54 G 8.83 4.28 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 0.00 55 D 7.87 4.66 0.00 2.92 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 56 V 8.49 4.58 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 0.94 0.00 0.00 0.92 0.00 0.00 57 V 8.12 4.70 1.81 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 0.61 0.00 0.00 0.75 0.00 0.00 58 E 8.01 4.90 0.00 1.68 1.78 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 2.19 2.37 0.00 59 I 9.78 4.74 1.46 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.66 0.34 0.00 0.00 60 I 8.58 5.01 1.90 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 1.17 1.70 1.01 0.00 0.00 61 E 8.96 3.90 0.00 2.23 1.88 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 2.20 2.06 0.00 62 S 7.54 4.55 0.00 3.67 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 63 R 8.41 3.94 0.00 1.74 1.80 0.00 3.40 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 64 P 0.00 4.33 0.00 2.04 1.99 0.00 3.67 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 1.99 2.08 0.00 65 I 8.48 4.12 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.28 0.79 0.00 0.00 66 S 7.24 4.41 0.00 3.91 3.66 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 67 K 8.30 4.26 0.00 1.80 1.72 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.44 7.81 68 R 8.41 3.56 0.00 1.96 2.01 0.00 3.25 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 69 K 9.74 4.71 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.50 7.81 70 R 8.12 4.92 0.00 1.55 1.36 0.00 3.14 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 71 F 8.07 5.12 0.00 3.04 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 72 R 8.78 5.01 0.00 1.73 1.79 0.00 3.18 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 73 V 7.60 3.91 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 -0.52 0.00 0.00 0.65 0.00 0.00 74 L 9.44 4.36 0.00 1.55 1.60 0.93 0.93 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 75 R 7.47 4.81 0.00 1.95 2.02 0.00 3.05 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 76 L 9.12 4.07 0.00 1.97 1.77 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.97 3.83 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 0.82 0.00 0.00 0.97 0.00 0.00 78 E 9.25 4.54 0.00 2.08 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 0.00 2.29 2.29 0.00 79 S 8.85 4.35 0.00 3.87 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 80 G 8.26 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 81 R 8.04 5.07 0.00 2.09 1.90 0.00 3.32 0.00 0.00 3.62 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 82 M 8.33 4.32 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 83 D 8.00 4.40 0.00 2.87 2.93 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 84 L 8.31 4.05 0.00 1.84 1.75 0.91 0.76 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 85 V 7.96 3.70 2.26 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 1.24 0.00 0.00 1.07 0.00 0.00 86 E 8.34 3.95 0.00 2.31 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 2.49 2.50 0.00 87 K 7.98 3.86 0.00 1.96 1.91 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.62 7.81 88 Y 7.91 4.22 0.00 3.01 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 89 L 8.00 3.59 0.00 1.57 1.62 0.99 0.76 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 90 I 7.90 3.90 1.87 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 1.56 0.88 0.86 0.00 0.00 91 R 7.67 3.79 0.00 2.01 1.86 0.00 3.06 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 92 R 7.53 3.62 0.00 1.47 1.52 0.00 2.89 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.00 0.00 93 Q 7.65 4.40 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.52 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 94 N 7.39 4.27 0.00 2.67 2.79 0.00 0.00 6.98 7.36 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 95 Y 7.42 4.32 0.00 2.98 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 96 E 8.32 3.87 0.00 2.10 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 0.00 2.44 2.48 0.00 97 S 7.95 4.63 0.00 4.06 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 98 L 8.37 4.74 0.00 1.68 1.68 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.15 4.52 0.00 4.04 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 0.00 100 K 8.21 4.47 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.43 7.81 *101 R 7.81 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.