NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.4977 8.4201 118.1851 52.4159 39.8747 174.8621 0 A 4.1837 7.3722 123.6071 49.6373 17.7536 173.9613 2 F 5.2197 9.9236 122.0692 55.2228 44.0000 173.1917 3 T 4.8221 8.5702 117.8650 62.0795 71.2784 173.6487 4 T 4.4022 8.5834 122.5361 61.6715 72.1393 173.2383 5 V 4.0398 8.2730 127.1436 62.3250 32.5979 175.2717 6 I 4.4795 8.4653 127.8221 59.7045 41.2456 174.5656 7 T 4.7972 8.1803 122.5492 60.7308 68.9927 173.2796 8 P 4.9157 0.0000 0.0000 62.8107 32.4078 176.0716 9 R 4.9178 8.7257 118.9249 54.1087 33.3148 177.3495 10 V 2.9439 8.1084 120.5774 65.9342 31.4455 178.4922 11 S 4.1895 7.8894 112.2195 60.6204 62.9796 174.5368 12 E 4.1587 8.1312 120.1905 56.9874 29.6509 176.4502 13 T 4.6847 7.5295 110.0481 60.6092 70.3744 172.5487 14 D 4.9543 8.2545 120.3185 51.0692 42.2714 176.5745 15 G 3.6573 8.5888 106.9269 48.2652 0.0000 174.9902 16 V 3.5454 7.6119 118.7230 64.3460 31.5591 176.8835 17 G 3.9818 8.4201 107.4650 45.4841 0.0000 172.3819 18 H 5.0107 7.5116 116.0454 53.2389 31.6714 173.3363 19 I 4.0923 7.9108 121.3084 61.4619 37.4609 176.1149 20 N 4.5556 8.8731 124.5664 52.9375 39.5641 175.5272 21 N 4.2802 8.6149 122.4143 56.3196 36.6996 177.1094 22 T 4.0375 8.4266 111.2083 63.9387 68.9694 176.7104 23 T 3.6293 7.6632 119.5699 66.0875 68.2722 176.6907 24 V 3.2422 7.2279 120.4018 65.6209 31.5563 176.4388 25 P 4.6581 0.0000 0.0000 65.3824 31.0857 178.8113 26 V 3.7086 7.0826 114.4170 65.7344 31.3871 178.1553 27 W 4.4554 8.2567 118.8227 59.6770 28.6473 178.5494 28 F 4.6334 8.4246 117.4850 60.8284 38.5682 177.0158 29 E 4.2847 8.8315 118.7957 59.1756 29.4770 178.6006 30 A 4.2143 8.4070 121.1749 55.2563 18.2883 179.8615 31 G 3.7365 8.2817 102.7693 47.4733 0.0000 175.2370 32 R 3.8401 7.5615 119.0035 56.6751 30.0777 177.4996 33 H 3.9236 7.6343 119.3533 59.7748 29.5620 176.6298 34 E 3.7067 7.6137 117.8137 59.0300 29.4437 179.2378 35 I 3.7397 6.8447 119.3969 64.4322 37.2761 177.9675 36 F 4.3108 7.7496 118.8642 60.8508 38.4945 177.8207 37 K 4.0649 8.0959 118.8190 59.2160 31.6801 178.9325 38 L 3.8849 7.4971 118.8113 57.4752 41.5296 178.8618 39 F 4.3885 8.0034 116.3881 58.8508 40.3573 175.9047 40 T 4.5263 7.9301 115.0124 60.2322 69.3471 172.0934 41 P 4.3431 0.0000 0.0000 64.5986 31.6230 177.2509 42 D 4.5452 8.0639 113.4234 52.8319 39.8054 175.9269 43 L 3.7238 7.8826 118.5437 55.7300 40.0983 174.3578 44 S 4.2495 8.0876 113.3714 58.1106 62.7415 175.1883 45 F 4.5834 8.6137 125.8332 59.8242 39.1286 176.7893 46 K 4.1734 8.3703 119.6029 58.8085 31.9001 177.6515 47 R 4.7543 7.5562 116.4590 55.4038 30.7339 175.7784 48 W 4.2999 8.3752 127.3335 57.5960 31.9171 175.8241 49 R 5.5491 7.1858 121.7176 54.3100 30.1680 175.6320 *51 V 4.3802 7.5546 118.3440 62.5813 33.3320 174.9617 52 I 3.5396 8.3584 128.8600 60.9406 37.8890 175.2155 53 I 4.3877 8.5160 121.5298 61.3929 40.0851 174.5676 54 R 4.5210 7.3288 121.1578 55.0215 33.8785 172.9111 *56 E 4.4227 8.5999 116.0694 56.3453 31.2023 175.0429 57 V 4.7368 8.1954 120.6473 61.4662 34.9941 173.6610 58 D 4.8689 9.4058 127.9358 53.0070 43.0003 175.1621 59 Y 4.6248 8.7561 121.9570 57.1913 37.6816 175.2702 60 V 4.1062 8.8292 125.5408 64.6047 32.5228 176.1244 61 N 5.1048 7.7681 114.4231 51.5056 42.6708 175.2716 62 Q 4.0745 8.2026 119.5501 55.5100 30.4327 174.9355 *64 Y 4.5125 8.0569 114.9114 58.3361 39.0256 174.5747 65 Y 4.3414 8.6957 124.3769 59.0313 39.4290 175.8647 66 G 3.7039 8.3184 112.7550 45.3305 0.0000 173.7379 67 Q 4.5341 7.5930 117.5972 53.6842 32.3791 174.7930 68 D 4.6900 8.4512 121.0444 54.6558 42.3873 175.4923 69 V 4.5910 8.4344 112.9562 59.8904 36.1209 174.8260 70 T 4.7122 8.6340 118.9455 61.7526 71.8030 173.1062 71 V 4.6643 8.5592 127.0422 61.7183 33.4656 173.8815 72 Y 5.1882 9.1654 126.0551 56.7029 40.4811 174.9265 73 T 5.2648 9.3409 120.4423 62.0674 72.7029 173.4067 74 G 4.8550 9.8988 113.0307 44.8836 0.0000 170.7836 75 I 4.7834 8.6940 120.5356 59.9587 37.9957 176.7602 76 E 4.2887 9.3752 129.8272 58.2406 30.6024 176.7836 77 R 4.6540 7.8016 118.7627 54.8558 33.9640 174.0990 78 I 4.6006 8.5624 127.3439 59.9146 37.9466 175.3297 79 G 4.0761 8.4817 119.5712 44.8711 0.0000 171.7142 80 N 4.4443 8.8464 117.0650 56.4013 39.4999 177.6135 81 T 4.7656 8.1163 104.7232 60.2741 69.9515 172.8449 82 S 5.4391 7.6965 116.5974 56.7549 67.2684 172.4648 83 L 5.1852 8.8817 119.0304 54.6202 44.2626 175.0462 84 T 5.0760 9.0910 118.1908 62.1109 71.1078 173.2493 85 I 4.8104 9.3768 128.7637 60.2790 39.3355 174.1381 86 Y 5.1327 8.6764 127.7811 55.9185 41.1314 174.1384 87 E 5.3278 7.3766 122.5333 55.2046 33.5493 173.7673 88 E 5.4350 9.9175 120.1136 55.0564 34.8063 174.2366 89 I 5.1090 9.2468 123.5418 60.0394 40.1544 174.4579 90 H 5.6087 9.4839 123.8566 54.3226 32.4242 173.0201 91 Q 4.5880 8.7721 121.2043 55.2643 32.8759 174.1668 92 N 4.2259 9.8576 122.8724 54.6443 37.4915 174.0849 93 G 4.0224 8.5620 100.4814 45.8031 0.0000 174.1000 94 V 4.4210 7.6763 118.8505 60.0301 34.1168 175.2192 95 V 3.9498 8.3658 126.6582 62.0616 31.8734 175.3325 96 C 4.9027 9.4326 121.4618 59.8823 31.3040 173.6909 97 A 5.1224 7.8896 119.4216 50.3482 22.5105 175.1587 98 K 5.0523 9.1996 120.8255 54.6377 36.0207 175.7251 99 G 4.1187 8.8830 110.2100 44.5824 0.0000 171.4643 100 R 5.3507 8.6187 119.2291 54.2411 34.0520 175.1436 101 S 4.9024 8.9850 115.9207 56.7831 67.1777 172.7648 102 V 4.9500 8.7053 121.6990 61.4906 34.0919 173.8835 103 Y 5.2153 9.1198 125.0287 56.0852 41.5713 174.7546 104 V 4.8123 8.7165 122.1398 59.8670 34.0384 175.3216 105 N 4.4258 9.3420 123.6580 53.4245 39.5624 172.9036 106 F 4.5711 9.6081 131.1076 56.2023 41.5927 174.4013 107 N 4.5843 7.9482 125.9090 52.3368 38.0262 175.3979 108 F 4.5344 8.7869 125.8191 60.5680 39.6063 177.1986 109 D 4.5840 8.5471 119.8592 57.6161 40.6221 177.6013 110 T 4.1006 8.3180 106.3509 61.4004 69.3524 174.5851 111 G 4.0492 7.9436 110.6344 45.9960 0.0000 173.3758 112 R 4.4680 6.6347 112.8486 53.4162 33.1287 172.6136 113 P 4.5833 0.0000 0.0000 62.7016 32.0899 175.3726 114 E 4.5196 9.1236 124.3975 53.4831 32.1793 173.0380 115 P 4.5786 0.0000 0.0000 63.0787 32.0052 176.0088 116 I 3.8202 8.3294 125.5198 61.3125 37.7901 174.7114 117 P 4.4135 0.0000 0.0000 62.4601 32.2708 177.0995 118 D 4.3924 8.8017 121.2019 57.5706 40.6252 178.7501 119 D 4.3629 8.1040 119.1030 56.7683 39.1591 178.7977 120 I 3.5468 7.5485 120.5778 63.8738 37.0433 178.2781 121 R 3.9026 7.6801 118.4773 59.2990 29.7162 179.0020 122 V 3.5682 7.5038 116.3932 66.1497 31.2540 177.8263 123 K 4.1054 7.7804 117.6102 59.5724 31.8557 179.3832 124 L 4.1585 8.4449 119.5977 57.8903 41.3276 179.7032 125 R 4.0753 8.1982 117.3809 58.6862 29.9639 177.2832 126 E 4.4514 7.4310 115.3629 56.6388 29.6848 175.7101 127 H 5.4746 8.2467 116.9521 54.3619 30.3716 173.3475 128 V 4.3839 8.0375 118.3053 62.6187 32.3666 175.1158 129 W 5.2565 9.2431 135.0000 56.2282 33.3410 174.4038 130 Q 4.3105 8.9376 126.6546 53.1707 30.7538 173.9576 131 P 4.2713 0.0000 0.0000 62.7063 31.5398 176.3986 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 -1 N 8.42 4.50 0.00 2.77 2.95 0.00 0.00 5.95 6.38 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 A 7.37 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 F 9.92 5.22 0.00 2.91 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 3 T 8.57 4.82 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 0.98 0.00 0.00 4 T 8.58 4.40 4.16 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 1.13 0.00 0.00 5 V 8.27 4.04 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 0.66 0.00 0.00 0.82 0.00 0.00 6 I 8.47 4.48 1.21 0.00 0.00 0.55 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 0.36 0.32 0.00 0.00 7 T 8.18 4.80 4.23 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 1.22 0.00 0.00 8 P 0.00 4.92 0.00 2.34 2.48 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.94 0.00 9 R 8.73 4.92 0.00 1.97 1.83 0.00 3.27 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 10 V 8.11 2.94 1.83 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 0.82 0.00 0.00 0.14 0.00 0.00 11 S 7.89 4.19 0.00 3.99 3.95 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 12 E 8.13 4.16 0.00 2.34 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 0.00 2.26 2.29 0.00 13 T 7.53 4.68 4.33 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 1.29 0.00 0.00 14 D 8.25 4.95 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 15 G 8.59 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 0.00 0.00 0.00 16 V 7.61 3.55 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 0.70 0.00 0.00 0.89 0.00 0.00 17 G 8.42 3.98 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 0.00 0.00 0.00 18 H 7.51 5.01 0.00 3.11 2.94 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 19 I 7.91 4.09 1.80 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 1.39 1.02 0.49 0.00 0.00 20 N 8.87 4.56 0.00 2.66 2.55 0.00 0.00 6.62 6.32 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 21 N 8.61 4.28 0.00 2.30 2.62 0.00 0.00 5.93 7.22 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 22 T 8.43 4.04 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 1.19 0.00 0.00 23 T 7.66 3.63 3.86 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 -0.31 0.00 0.00 24 V 7.23 3.24 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 0.65 0.00 0.00 0.89 0.00 0.00 25 P 0.00 4.66 0.00 2.27 2.22 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 26 V 7.08 3.71 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 1.14 0.00 0.00 0.98 0.00 0.00 27 W 8.26 4.46 0.00 3.39 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 28 F 8.42 4.63 0.00 3.30 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 29 E 8.83 4.28 0.00 2.38 2.30 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 2.74 2.84 0.00 30 A 8.41 4.21 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.28 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 0.00 0.00 0.00 32 R 7.56 3.84 0.00 1.26 0.87 0.00 3.34 0.00 0.00 3.05 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.81 0.00 33 H 7.63 3.92 0.00 3.39 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.61 3.71 0.00 1.16 1.23 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 2.03 2.14 0.00 35 I 6.84 3.74 1.65 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.67 0.97 0.00 0.00 36 F 7.75 4.31 0.00 3.08 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 K 8.10 4.06 0.00 1.84 1.81 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.42 7.81 38 L 7.50 3.88 0.00 1.63 1.41 0.98 0.82 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 39 F 8.00 4.39 0.00 2.99 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 40 T 7.93 4.53 3.95 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 1.37 0.00 0.00 41 P 0.00 4.34 0.00 2.01 2.11 0.00 3.69 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 42 D 8.06 4.55 0.00 2.79 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 43 L 7.88 3.72 0.00 1.80 1.82 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.09 4.25 0.00 4.05 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 45 F 8.61 4.58 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.37 4.17 0.00 1.79 1.94 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.57 7.81 47 R 7.56 4.75 0.00 1.81 1.95 0.00 3.19 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 48 W 8.38 4.30 0.00 3.61 3.09 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 0.00 0.00 0.00 0.00 49 R 7.19 5.55 0.00 1.64 1.99 0.00 3.80 0.00 0.00 3.32 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 *51 V 7.55 4.38 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 0.81 0.00 0.00 1.05 0.00 0.00 52 I 8.36 3.54 0.98 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 1.11 0.39 0.78 0.00 0.00 53 I 8.52 4.39 1.83 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 1.17 0.80 0.87 0.00 0.00 54 R 7.33 4.52 0.00 1.83 1.76 0.00 3.19 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 *56 E 8.60 4.42 0.00 2.09 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 0.00 2.24 2.43 0.00 57 V 8.20 4.74 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 0.09 0.00 0.00 1.05 0.00 0.00 58 D 9.41 4.87 0.00 2.59 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 59 Y 8.76 4.62 0.00 2.87 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.83 4.11 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 0.79 0.00 0.00 0.98 0.00 0.00 61 N 7.77 5.10 0.00 2.73 2.68 0.00 0.00 6.93 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 62 Q 8.20 4.07 0.00 1.75 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 *64 Y 8.06 4.51 0.00 3.14 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 65 Y 8.70 4.34 0.00 2.95 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 66 G 8.32 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 0.00 0.00 0.00 67 Q 7.59 4.53 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 68 D 8.45 4.69 0.00 2.53 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 69 V 8.43 4.59 1.97 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 0.67 0.00 0.00 0.05 0.00 0.00 70 T 8.63 4.71 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 0.49 0.00 0.00 71 V 8.56 4.66 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 1.31 0.00 0.00 0.88 0.00 0.00 72 Y 9.17 5.19 0.00 3.14 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 73 T 9.34 5.26 4.49 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 1.33 0.00 0.00 74 G 9.90 4.86 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 0.00 75 I 8.69 4.78 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.19 1.03 0.00 0.00 76 E 9.38 4.29 0.00 1.96 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 0.00 2.25 2.14 0.00 77 R 7.80 4.65 0.00 1.89 1.72 0.00 3.23 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 78 I 8.56 4.60 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.98 0.00 0.00 79 G 8.48 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 0.00 0.00 0.00 80 N 8.85 4.44 0.00 2.83 2.82 0.00 0.00 6.49 7.22 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 81 T 8.12 4.77 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 1.21 0.00 0.00 82 S 7.70 5.44 0.00 4.01 4.01 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 83 L 8.88 5.19 0.00 1.95 1.86 1.12 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 T 9.09 5.08 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 1.24 0.00 0.00 85 I 9.38 4.81 2.04 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 1.19 1.07 1.03 0.00 0.00 86 Y 8.68 5.13 0.00 2.88 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.38 5.33 0.00 1.99 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 1.58 1.47 0.00 88 E 9.92 5.44 0.00 2.43 2.21 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 2.29 2.17 0.00 89 I 9.25 5.11 1.90 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.35 1.00 0.00 0.00 90 H 9.48 5.61 0.00 3.22 3.30 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.77 4.59 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.26 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 92 N 9.86 4.23 0.00 2.90 2.89 0.00 0.00 7.08 7.98 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 93 G 8.56 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.68 4.42 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 1.05 0.00 0.00 1.03 0.00 0.00 95 V 8.37 3.95 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 0.81 0.00 0.00 1.02 0.00 0.00 96 C 9.43 4.90 0.00 2.90 3.22 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 0.00 0.00 0.00 0.00 97 A 7.89 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.20 5.05 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 99 G 8.88 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 0.00 100 R 8.62 5.35 0.00 1.61 1.76 0.00 3.14 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 101 S 8.99 4.90 0.00 3.93 3.91 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 0.00 102 V 8.71 4.95 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 1.10 0.00 0.00 0.94 0.00 0.00 103 Y 9.12 5.22 0.00 2.98 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 0.00 104 V 8.72 4.81 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 0.73 0.00 0.00 1.03 0.00 0.00 105 N 9.34 4.43 0.00 2.67 3.01 0.00 0.00 6.50 7.74 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 0.00 106 F 9.61 4.57 0.00 2.92 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 0.00 107 N 7.95 4.58 0.00 2.60 2.52 0.00 0.00 6.78 6.99 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 0.00 108 F 8.79 4.53 0.00 3.23 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 0.00 109 D 8.55 4.58 0.00 2.90 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 0.00 110 T 8.32 4.10 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 1.18 0.00 0.00 111 G 7.94 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 0.00 0.00 0.00 112 R 6.63 4.47 0.00 1.72 1.88 0.00 2.91 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 113 P 0.00 4.58 0.00 1.95 2.07 0.00 3.57 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 2.10 2.34 0.00 114 E 9.12 4.52 0.00 1.81 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 2.17 2.19 0.00 115 P 0.00 4.58 0.00 1.97 2.04 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 116 I 8.33 3.82 1.96 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 1.50 0.73 0.99 0.00 0.00 117 P 0.00 4.41 0.00 2.13 1.95 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 118 D 8.80 4.39 0.00 2.67 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 0.00 119 D 8.10 4.36 0.00 2.82 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 0.00 120 I 7.55 3.55 1.79 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.51 0.27 0.00 0.00 121 R 7.68 3.90 0.00 2.07 1.99 0.00 3.38 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 122 V 7.50 3.57 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 0.81 0.00 0.00 0.95 0.00 0.00 123 K 7.78 4.11 0.00 1.94 1.87 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.74 7.81 124 L 8.44 4.16 0.00 1.85 1.80 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.20 4.08 0.00 1.94 2.00 0.00 3.15 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 126 E 7.43 4.45 0.00 1.85 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 2.22 2.22 0.00 127 H 8.25 5.47 0.00 2.92 2.82 0.00 5.62 0.00 0.00 0.00 0.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.04 4.38 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 0.86 0.00 0.00 1.03 0.00 0.00 129 W 9.24 5.26 0.00 3.20 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 0.00 130 Q 8.94 4.31 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 131 P 0.00 4.27 0.00 1.75 1.29 0.00 3.21 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.00 * Residues marked with a * may have inaccurate shift predictions.