NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4409 8.3231 117.0989 58.1534 63.8500 172.5929 10 G 3.9601 7.9855 112.6744 43.8437 0.0000 170.6572 11 R 4.7029 9.2338 118.8648 54.1621 34.0476 173.7915 12 E 4.6937 8.4741 119.6619 54.5455 33.3124 174.8143 13 N 4.7624 8.6063 118.6002 51.5483 40.2359 174.1095 14 L 4.5596 8.0930 123.1526 53.0319 44.0916 175.4797 15 Y 4.6709 8.4346 120.4263 56.1888 40.7726 174.5975 16 F 5.3988 9.0812 122.5203 55.7854 42.3370 175.3011 17 Q 4.3519 8.8821 123.5093 54.6966 30.7645 175.6717 18 G 3.9234 8.2571 118.1306 46.9638 0.0000 173.7403 19 Q 4.4746 8.8774 122.3173 56.5290 29.5079 176.1161 20 S 4.7553 7.9961 115.9454 58.8410 64.3750 173.2735 21 I 4.9940 8.7632 122.8808 59.7134 41.3747 173.6398 22 Y 5.1621 9.1470 127.3102 55.8586 41.9849 174.2732 23 I 4.5781 7.9574 126.0623 59.3667 41.6195 173.8213 24 E 4.4153 8.4502 127.7630 54.0968 30.4053 175.0126 25 L 4.0767 8.5378 131.0898 55.3576 42.0462 176.7893 26 K 4.2978 9.5782 126.3284 57.5515 33.2474 176.8886 27 N 5.0594 8.3021 116.3929 51.1687 41.0797 175.2133 28 T 3.9590 9.0313 120.4027 67.0276 67.0019 176.6912 29 G 3.6500 8.1017 106.4298 47.5827 0.0000 175.6070 30 S 4.3699 8.1348 117.3132 60.8293 62.8454 176.0853 31 L 3.9015 7.5311 123.7909 58.4408 41.5386 178.6090 32 N 4.2676 8.1271 114.1997 56.7308 38.7827 176.9230 33 Q 4.1469 7.5314 118.1630 58.7451 28.5132 178.7127 34 V 3.5036 7.9061 119.4383 66.0168 31.3268 177.8709 35 F 3.5815 7.9096 115.4966 59.1123 38.8546 177.1294 36 S 4.4774 7.7070 112.5223 61.1168 63.4506 173.9855 37 S 4.5688 7.6274 117.2474 57.2090 64.3495 172.2885 *39 Q 4.3006 8.4644 118.2949 55.5551 30.4077 175.5552 40 N 4.9621 7.9693 114.7961 51.3910 40.2035 175.0194 41 S 4.0017 8.6556 119.6719 60.5408 64.4258 173.7894 42 S 5.2725 8.0071 115.1000 56.5718 64.3341 172.8357 43 I 4.9195 8.5656 127.5330 59.3888 40.0575 174.5918 44 V 4.7557 8.6010 126.3444 61.1285 34.2507 174.0048 45 I 4.8271 8.9294 129.0288 59.4130 39.8082 174.3042 46 K 4.2326 8.5749 128.4388 54.3644 34.3285 174.5727 47 F 4.8668 9.1564 127.1849 56.4960 40.7022 175.4982 48 G 4.1831 8.7549 110.2285 45.9238 0.0000 171.2112 49 A 4.6931 7.8658 120.0754 50.2655 22.0383 177.5286 50 V 3.5123 8.3278 120.9277 65.6295 31.5430 177.4310 51 W 4.4224 7.2117 113.7916 57.5416 29.0360 177.0074 52 C 4.2897 6.9506 120.5422 55.5332 44.7277 173.4502 53 K 3.8970 8.6591 129.5518 59.2268 32.2145 176.9437 54 P 4.3191 0.0000 0.0000 65.8494 30.9400 178.9507 55 C 4.3314 7.9885 115.4537 60.0707 34.6981 175.2638 56 N 4.3809 8.0943 117.9221 56.1079 37.8990 177.5838 57 K 4.0593 8.1332 119.4783 58.4784 32.3116 178.2070 58 I 4.5746 7.3031 109.8172 60.4593 38.1007 177.4561 59 K 4.0690 7.8809 122.3633 60.4472 32.3446 178.7829 60 E 3.8498 8.1655 120.1619 58.9143 29.2489 177.4824 61 Y 4.1684 8.2256 119.2587 60.9366 38.7573 178.0058 62 F 4.0790 8.6637 121.5246 61.2460 39.7659 177.2760 63 K 3.4283 7.8461 117.8789 59.5495 32.2960 178.0242 64 N 4.4792 7.9792 115.5242 54.0844 38.4764 176.7269 65 Q 4.1148 7.6181 120.6368 58.1077 28.4580 177.9534 66 L 3.9702 7.0383 118.7850 58.0658 41.7020 178.9762 67 N 4.1529 7.6061 114.5213 55.3339 38.5952 175.2822 68 Y 4.6087 7.4569 116.0384 57.9524 40.8385 175.1895 69 Y 4.9352 7.8867 115.2804 55.9818 42.1508 175.3166 70 Y 4.8911 9.0317 120.9480 57.7987 38.1931 175.4101 71 V 4.7133 8.3449 122.2092 61.1129 35.0763 172.3689 72 T 4.8449 8.5669 119.7242 62.1500 70.4357 173.3624 73 L 5.0750 9.2380 128.4374 53.0779 43.9441 175.7323 74 V 4.4776 8.8425 124.3431 61.0287 34.0957 173.5272 75 D 5.0428 9.0594 128.5253 52.9679 42.9466 174.9074 76 I 4.4805 8.3323 127.2681 59.1577 40.1616 174.7140 77 D 4.7777 8.6165 127.9509 53.8212 41.1159 177.3659 78 V 3.8403 8.6894 121.4939 64.0508 31.8121 178.2180 79 D 4.5486 8.2492 118.9493 56.3367 41.1249 177.8188 80 I 3.9129 7.9393 119.0888 63.3921 38.2307 175.9374 81 H 5.0472 8.1640 116.4193 53.6370 28.7976 172.9501 82 P 4.5460 0.0000 0.0000 65.2338 31.5667 178.7087 83 K 3.9613 8.0716 117.9668 59.3843 31.9479 179.0771 84 L 4.0561 7.9411 118.7181 57.6147 41.6799 178.4292 85 N 4.0259 8.3163 117.2258 57.1989 38.8271 176.5557 86 D 4.3194 8.2771 119.7811 57.4223 40.7534 178.7798 87 Q 4.0297 8.2412 117.8801 58.9394 28.8076 177.7076 88 H 4.4279 8.2411 114.2096 54.4637 29.6002 174.4772 89 N 4.0605 7.7634 118.3199 54.4491 37.6372 174.5312 90 I 3.7929 7.4825 117.8700 61.1372 37.8283 176.7826 91 K 4.4496 8.3417 122.4952 56.1952 33.8652 175.5833 92 A 4.6099 7.3549 119.2465 51.0237 21.7647 175.1486 93 L 4.8696 8.2123 119.3402 52.2288 44.7910 175.1364 94 P 4.6779 0.0000 0.0000 62.7249 33.5450 174.9370 95 T 5.0921 8.3274 116.6526 61.8471 72.2629 172.9130 96 F 5.0407 9.5775 124.9412 55.8070 41.6031 174.3309 97 E 5.0147 9.3684 123.9080 54.6471 32.0417 174.8462 98 F 4.9127 9.2661 124.0587 56.0869 41.0709 174.4950 99 Y 5.5184 9.3472 121.8995 56.4102 41.3660 174.7071 100 F 5.2835 9.6859 123.9161 56.7253 43.5553 172.9131 101 N 4.5545 8.2376 125.2139 52.7452 39.2393 174.3273 102 L 4.7348 8.5852 126.7342 54.0993 45.1011 176.7803 103 N 3.9624 9.5887 121.3571 54.7794 35.9808 173.8980 104 N 4.1821 8.3176 108.2161 54.0792 36.6674 174.2405 105 E 4.7640 7.6619 115.8847 54.2684 34.2621 174.9027 106 W 4.9317 8.8584 122.8660 56.6445 30.2777 175.8458 107 V 4.6175 9.4174 124.5193 60.8186 34.2690 174.1555 108 L 4.0756 8.9350 130.0133 55.4159 41.5386 176.3006 109 V 4.1936 8.5375 120.8251 62.6748 33.1229 175.9121 110 H 4.5266 7.4432 117.5704 55.3551 32.9199 172.4444 111 T 5.2897 8.0891 119.1370 61.7360 72.1649 173.4041 112 V 4.5079 9.0687 124.8196 61.2197 34.5793 173.9462 113 E 5.0192 9.2024 126.8322 56.0221 31.7626 176.1996 114 G 3.9268 9.4688 109.3870 45.3330 0.0000 172.9868 115 A 4.7509 8.0742 118.0038 51.5115 19.5508 176.4192 116 N 4.4104 8.0983 117.9682 54.8817 39.4057 174.9362 117 Q 3.6009 8.4807 130.1118 59.0292 29.2598 177.3836 118 N 4.2476 8.1305 117.1118 56.5994 38.5627 176.9068 119 D 4.3638 8.5588 120.0504 57.3843 41.0008 178.8004 120 I 3.7698 7.8349 120.3703 64.4444 36.9736 178.1477 121 E 4.3291 8.3553 121.5197 58.5809 29.4963 178.8318 122 K 3.9053 8.1026 118.3110 59.4536 32.0787 179.0294 123 A 3.8438 7.9758 120.8099 55.1826 18.2185 179.6365 124 F 3.8574 8.3489 116.2285 60.8702 38.7401 177.9886 125 Q 4.2435 8.3662 116.8759 58.7127 28.5423 178.2890 126 K 3.8712 7.7291 119.7761 58.1773 32.4009 176.8824 127 Y 4.5992 7.9778 113.5779 57.5359 39.4060 174.1719 128 C 5.1726 8.2209 119.5246 57.3575 34.5285 172.2589 129 L 5.0090 8.6435 119.6009 52.7171 43.8024 176.0223 130 E 3.9760 9.0697 125.6242 55.6562 30.5692 176.7038 131 K 3.8764 8.4250 124.9925 56.5886 31.6714 176.9059 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 8.32 4.44 0.00 3.65 3.74 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 10 G 7.99 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 0.00 0.00 0.00 11 R 9.23 4.70 0.00 1.75 1.79 0.00 3.15 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 12 E 8.47 4.69 0.00 1.83 1.72 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 2.16 2.17 0.00 13 N 8.61 4.76 0.00 2.68 2.49 0.00 0.00 6.86 7.85 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 14 L 8.09 4.56 0.00 1.22 0.72 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.43 4.67 0.00 3.18 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 16 F 9.08 5.40 0.00 2.84 2.82 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 17 Q 8.88 4.35 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.68 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 18 G 8.26 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.88 4.47 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.94 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 20 S 8.00 4.76 0.00 4.08 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 21 I 8.76 4.99 1.74 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 0.49 1.25 0.59 0.00 0.00 22 Y 9.15 5.16 0.00 2.86 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 23 I 7.96 4.58 1.60 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 0.92 0.48 0.73 0.00 0.00 24 E 8.45 4.42 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 2.19 2.26 0.00 25 L 8.54 4.08 0.00 1.46 1.36 0.82 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 K 9.58 4.30 0.00 2.10 1.84 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.49 7.81 27 N 8.30 5.06 0.00 2.82 2.69 0.00 0.00 7.01 6.51 0.00 0.00 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 T 9.03 3.96 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 1.23 0.00 0.00 29 G 8.10 3.65 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 0.00 0.00 0.00 30 S 8.13 4.37 0.00 3.95 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 31 L 7.53 3.90 0.00 1.62 1.61 0.91 0.47 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 32 N 8.13 4.27 0.00 2.86 2.87 0.00 0.00 6.92 7.69 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 33 Q 7.53 4.15 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 34 V 7.91 3.50 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.80 0.00 0.00 35 F 7.91 3.58 0.00 2.94 2.71 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 36 S 7.71 4.48 0.00 4.10 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 0.00 37 S 7.63 4.57 0.00 3.88 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 *39 Q 8.46 4.30 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 40 N 7.97 4.96 0.00 2.79 2.92 0.00 0.00 6.93 7.57 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 41 S 8.66 4.00 0.00 3.37 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 42 S 8.01 5.27 0.00 4.15 4.05 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 43 I 8.57 4.92 1.27 0.00 0.00 -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 0.60 0.21 0.36 0.00 0.00 44 V 8.60 4.76 2.12 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 0.42 0.00 0.00 0.63 0.00 0.00 45 I 8.93 4.83 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.62 0.06 0.00 0.00 46 K 8.57 4.23 0.00 0.79 0.74 0.00 1.14 0.00 0.00 1.17 0.00 0.00 2.69 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.30 0.21 7.81 47 F 9.16 4.87 0.00 2.74 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 48 G 8.75 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 49 A 7.87 4.69 0.30 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 50 V 8.33 3.51 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 0.90 0.00 0.00 0.97 0.00 0.00 51 W 7.21 4.42 0.00 3.60 3.23 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 52 C 6.95 4.29 0.00 1.59 2.54 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 53 K 8.66 3.90 0.00 1.92 1.83 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 54 P 0.00 4.32 0.00 2.32 2.32 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 55 C 7.99 4.33 0.00 3.00 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 56 N 8.09 4.38 0.00 2.90 2.86 0.00 0.00 7.04 6.88 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 57 K 8.13 4.06 0.00 1.76 1.91 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.72 7.81 58 I 7.30 4.57 2.29 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.02 1.02 0.00 0.00 59 K 7.88 4.07 0.00 2.05 2.32 0.00 1.32 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.47 7.81 60 E 8.17 3.85 0.00 2.11 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 2.36 2.39 0.00 61 Y 8.23 4.17 0.00 3.14 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 62 F 8.66 4.08 0.00 3.41 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.85 3.43 0.00 1.20 0.74 0.00 1.05 0.00 0.00 1.65 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.35 7.81 64 N 7.98 4.48 0.00 2.77 2.90 0.00 0.00 6.94 6.82 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 65 Q 7.62 4.11 0.00 1.75 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.75 0.00 0.00 0.00 0.00 0.00 1.79 1.22 0.00 66 L 7.04 3.97 0.00 1.67 1.63 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.61 4.15 0.00 1.59 2.06 0.00 0.00 6.90 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.46 4.61 0.00 2.82 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 4.94 0.00 3.11 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 70 Y 9.03 4.89 0.00 3.03 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 71 V 8.34 4.71 2.36 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 0.79 0.00 0.00 1.12 0.00 0.00 72 T 8.57 4.84 4.07 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 1.00 0.00 0.00 73 L 9.24 5.08 0.00 1.52 1.03 0.72 -0.80 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 74 V 8.84 4.48 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 0.78 0.00 0.00 0.71 0.00 0.00 75 D 9.06 5.04 0.00 2.68 2.42 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 76 I 8.33 4.48 1.11 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.09 0.84 0.00 0.00 77 D 8.62 4.78 0.00 2.66 2.57 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 78 V 8.69 3.84 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 0.91 0.00 0.00 1.03 0.00 0.00 79 D 8.25 4.55 0.00 2.92 2.82 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 80 I 7.94 3.91 1.89 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 1.38 0.57 0.64 0.00 0.00 81 H 8.16 5.05 0.00 3.17 3.21 0.00 5.62 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 82 P 0.00 4.55 0.00 2.28 2.34 0.00 3.97 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 2.09 1.93 0.00 83 K 8.07 3.96 0.00 1.85 1.92 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.55 7.81 84 L 7.94 4.06 0.00 1.93 1.86 0.83 0.61 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 85 N 8.32 4.03 0.00 2.89 3.07 0.00 0.00 7.27 8.10 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 86 D 8.28 4.32 0.00 2.73 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 87 Q 8.24 4.03 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 88 H 8.24 4.43 0.00 2.81 3.27 0.00 5.81 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 89 N 7.76 4.06 0.00 2.77 2.77 0.00 0.00 7.14 7.93 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 90 I 7.48 3.79 1.85 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.05 0.84 0.00 0.00 91 K 8.34 4.45 0.00 1.87 1.79 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.31 7.81 92 A 7.35 4.61 1.21 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 0.00 0.00 0.00 93 L 8.21 4.87 0.00 1.40 1.36 0.82 0.99 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 94 P 0.00 4.68 0.00 1.58 1.91 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.04 0.00 95 T 8.33 5.09 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 96 F 9.58 5.04 0.00 3.07 2.77 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 97 E 9.37 5.01 0.00 2.15 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 2.27 2.45 0.00 98 F 9.27 4.91 0.00 2.86 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 99 Y 9.35 5.52 0.00 3.20 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 0.00 100 F 9.69 5.28 0.00 3.30 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 0.00 101 N 8.24 4.55 0.00 1.44 2.13 0.00 0.00 6.97 7.85 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 0.00 102 L 8.59 4.73 0.00 1.75 1.56 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.59 3.96 0.00 2.84 2.87 0.00 0.00 7.14 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.32 4.18 0.00 2.83 2.85 0.00 0.00 6.94 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 0.00 105 E 7.66 4.76 0.00 2.00 1.82 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 2.22 2.46 0.00 106 W 8.86 4.93 0.00 3.37 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 0.00 107 V 9.42 4.62 2.38 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 1.13 0.00 0.00 1.10 0.00 0.00 108 L 8.93 4.08 0.00 1.46 1.55 0.40 0.89 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 V 8.54 4.19 2.12 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 0.89 0.00 0.00 1.13 0.00 0.00 110 H 7.44 4.53 0.00 1.50 2.39 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.09 5.29 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 1.25 0.00 0.00 112 V 9.07 4.51 2.44 0.00 0.00 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 1.10 0.00 0.00 113 E 9.20 5.02 0.00 1.91 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 2.24 2.31 0.00 114 G 9.47 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 0.00 0.00 0.00 115 A 8.07 4.75 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.10 4.41 0.00 2.78 2.76 0.00 0.00 6.73 7.16 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 0.00 117 Q 8.48 3.60 0.00 1.81 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.63 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 118 N 8.13 4.25 0.00 2.90 2.84 0.00 0.00 7.17 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 0.00 119 D 8.56 4.36 0.00 2.86 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 0.00 120 I 7.83 3.77 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.90 0.75 0.00 0.00 121 E 8.36 4.33 0.00 2.24 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 2.36 2.35 0.00 122 K 8.10 3.91 0.00 2.04 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 123 A 7.98 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.35 3.86 0.00 3.32 2.54 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 0.00 125 Q 8.37 4.24 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 126 K 7.73 3.87 0.00 1.50 0.82 0.00 1.08 0.00 0.00 1.15 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.40 1.03 7.81 127 Y 7.98 4.60 0.00 2.70 2.91 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 0.00 128 C 8.22 5.17 0.00 2.96 3.15 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 0.00 0.00 0.00 129 L 8.64 5.01 0.00 2.00 1.93 1.13 1.01 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 0.00 130 E 9.07 3.98 0.00 2.01 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 2.11 1.87 0.00 131 K 8.42 3.88 0.00 1.44 1.43 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.54 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.54 7.81 * Residues marked with a * may have inaccurate shift predictions.