NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.5818 8.3016 107.8460 45.7059 0.0000 173.3348 4 L 4.0492 8.4889 125.1363 54.3101 43.2170 170.3126 5 V 4.8080 8.7977 127.0529 60.9860 34.8613 173.8073 6 A 4.8742 9.0039 129.3324 50.1580 22.1454 175.0151 7 S 5.2167 8.5412 115.9669 57.5652 66.5845 175.1569 8 N 4.4913 9.0080 116.2110 53.3865 37.8199 174.6110 9 L 3.9422 7.5718 118.3358 56.1947 41.1977 176.2537 10 N 5.1665 8.5837 123.4486 51.5666 37.3665 173.3802 11 L 4.5009 9.1473 127.2117 54.7333 43.1669 176.0528 12 K 4.9979 9.4835 124.0068 53.7119 34.8628 174.3254 13 P 3.1055 0.0000 0.0000 64.2687 31.6218 175.7377 14 G 3.9899 8.5388 110.9683 45.3922 0.0000 173.9931 15 E 4.2896 8.1401 118.7107 56.3189 31.2411 175.5454 16 C 5.1329 9.0342 122.8224 57.5819 34.2615 172.1437 17 L 4.7634 8.7133 128.9483 53.3126 43.1337 175.1047 18 K 4.6651 8.5541 128.1978 54.5957 34.5904 174.7888 19 V 4.6645 8.7379 127.2711 61.0083 34.4722 174.0374 20 R 5.1337 8.3178 127.0216 54.8619 33.5847 174.1422 21 G 3.8136 9.0595 111.9706 45.6163 0.0000 171.1729 22 E 5.1829 8.1948 117.9514 54.1390 32.3136 175.6893 23 L 4.7616 9.1782 124.1894 54.1575 43.1119 176.6687 24 A 4.2955 8.4614 124.8491 51.4832 19.0812 176.9622 25 P 4.5327 0.0000 0.0000 64.7909 31.6011 176.8656 26 D 4.7946 7.6151 116.9585 51.8155 39.7598 175.7621 27 A 3.9381 7.9282 122.0008 54.2565 18.6651 178.1551 28 K 4.3759 9.7603 123.1630 57.5921 33.3855 177.2121 29 S 5.3563 7.5796 111.4617 58.0463 64.2779 175.3046 30 F 5.5170 7.6266 115.9795 55.5381 41.7903 173.2921 31 V 4.5785 9.6883 119.3326 61.1886 35.5842 174.1359 32 L 5.0971 8.6047 126.1093 53.8083 45.3987 174.4396 33 N 5.6291 9.5340 124.4304 51.5070 41.7876 173.8015 34 L 5.2256 9.3278 122.4895 52.0773 45.6548 176.5452 35 G 4.2299 8.0486 110.0974 46.9589 0.0000 174.7933 36 K 4.1609 8.8082 120.3732 57.9537 33.3218 175.7970 37 D 3.8658 7.3498 115.9509 51.7156 41.6922 175.8916 38 S 3.7963 7.7130 113.7327 60.8976 62.6525 174.9390 39 N 4.6007 8.2809 116.4700 53.1701 39.0711 173.8272 40 N 5.4501 8.1909 116.5557 51.0015 40.1813 171.3778 41 L 5.1673 8.5292 121.9658 53.0469 43.5756 176.9201 42 C 4.4009 8.9851 119.1740 59.9989 30.8878 173.7641 43 L 4.5245 7.7848 121.9033 53.9266 45.5435 173.7603 44 H 5.2009 9.1647 126.3974 54.5137 32.1152 171.9388 45 F 4.3536 9.1894 129.9593 56.9837 39.7138 172.8991 46 N 4.5852 8.4806 126.1091 49.5608 38.9318 169.8722 47 P 4.4435 0.0000 0.0000 61.8078 33.4963 175.6856 48 R 4.6289 9.0056 123.4566 54.4728 31.7255 176.7513 49 F 3.8983 9.2788 124.1816 60.3487 40.2869 174.5875 50 N 4.9884 8.4307 113.4548 53.5832 41.2427 173.5092 51 A 4.2693 9.1551 126.2613 52.7018 22.6192 176.2504 52 H 3.8508 9.8700 116.4571 56.6885 26.3239 176.0027 53 G 3.9650 8.5970 106.0805 45.1902 0.0000 173.2356 54 D 4.8951 8.0539 119.1863 52.0101 43.5420 174.9999 55 A 4.8794 8.0506 124.8051 51.6600 22.0690 175.6355 56 N 2.0000 7.9753 118.3038 53.5470 37.0019 174.5488 57 T 4.5892 7.1254 110.7775 60.3946 71.7574 172.8036 58 I 4.3211 8.2968 128.7084 60.0514 39.1481 174.6530 59 V 4.4151 8.1166 127.2916 61.2971 33.6594 174.3154 60 C 5.6362 8.3148 125.0452 57.6782 31.6889 172.1546 61 N 5.1283 7.4718 117.9374 53.6571 42.1975 172.6978 62 S 5.3859 8.6438 114.4349 56.3696 67.3780 172.6627 63 K 4.8930 9.1302 122.0093 54.6403 35.2674 174.1137 64 D 4.8516 8.9637 127.3501 52.5188 43.4644 175.3675 65 D 4.3259 10.2768 127.8180 55.0975 40.2583 174.4331 66 G 3.7909 8.3444 106.9746 44.7162 0.0000 174.0779 67 T 4.3662 7.4435 110.6257 59.2912 70.4204 174.4221 68 W 4.7668 8.5414 125.0916 57.2378 29.9721 176.4635 69 G 4.4194 8.7687 110.1936 45.7469 0.0000 172.8522 70 T 4.4282 8.5320 117.6712 63.3285 69.3569 174.7466 71 E 4.5045 8.7918 125.7315 56.2256 30.7880 175.8390 72 Q 4.6150 8.9406 124.6109 54.4551 31.8096 174.0842 73 R 4.9998 8.6639 125.1578 54.4991 32.8605 175.2639 74 E 4.4425 8.6358 122.4898 54.6921 31.7096 177.4119 75 T 3.7629 8.6250 118.6566 64.5472 67.8952 174.9174 76 A 4.1374 7.7332 123.6559 52.7639 18.9383 177.8613 77 F 4.7386 8.2175 123.7193 56.8794 40.6865 172.4218 78 P 4.4827 0.0000 0.0000 62.0253 31.2135 176.9231 79 F 5.1812 7.1318 114.9465 56.6460 42.8592 175.2723 80 Q 4.9103 8.7646 120.9440 53.5662 32.5182 173.6052 81 P 4.1489 0.0000 0.0000 63.1836 31.9874 175.6589 82 G 4.2981 8.7333 106.9046 46.9598 0.0000 172.8770 83 S 4.8087 7.6798 111.1715 56.6228 67.5391 172.2930 84 I 5.0605 8.3259 120.2844 59.9944 39.2483 175.3524 85 T 4.9751 9.0178 115.7803 60.8596 72.7888 171.8834 86 E 5.1951 8.6368 117.4669 55.7969 32.6689 174.8328 87 V 4.4250 8.5450 120.5032 61.5413 35.5658 173.3535 *89 I 4.3032 8.1774 118.3328 61.8999 38.6390 175.1694 90 T 5.4480 8.3497 122.0152 62.1292 73.1096 172.4355 91 F 5.4656 8.1706 116.1755 56.8992 40.7320 172.6804 92 D 4.4139 8.8447 117.6014 52.2256 42.3326 176.4528 93 Q 4.3397 9.1511 117.9627 58.5985 28.2689 178.6176 94 A 3.7961 7.5099 118.9192 54.8639 18.5227 177.8280 95 D 5.1821 7.9029 111.3209 52.2663 44.0183 174.1940 96 L 4.8014 9.2145 118.7291 54.0529 44.3676 176.6423 97 T 4.6099 8.7957 117.9910 61.9310 71.5000 173.1712 98 I 4.0709 7.8075 128.4658 60.0995 38.6496 175.1180 99 K 4.4008 8.2530 128.2574 54.3991 33.7567 175.7118 100 L 4.3374 8.4234 128.0323 53.4918 42.3209 176.8007 101 P 4.2775 0.0000 0.0000 65.6243 31.1969 176.7803 102 D 4.4991 7.7459 116.6667 53.4007 39.5606 176.2451 103 G 4.3501 8.0234 114.9448 46.6344 0.0000 174.5914 104 H 4.6015 7.5884 116.5610 54.4071 29.4856 174.0944 105 E 5.0705 8.5220 117.9989 54.4846 32.7477 174.2742 106 F 5.1967 8.0160 114.2686 55.3000 42.0124 173.3360 107 K 5.2238 8.9541 117.4577 54.6754 35.3850 175.7545 108 F 5.0088 8.9747 124.6300 55.5412 42.5620 172.2141 109 P 4.4121 0.0000 0.0000 62.5755 31.5834 177.0132 110 N 4.7749 8.3888 122.9767 52.1743 37.4890 175.1514 111 R 3.9258 8.0511 121.9063 59.5859 30.6666 178.7543 112 L 4.0969 7.9958 113.8059 55.3169 41.7154 176.2727 113 N 4.2517 8.0767 116.9783 54.4080 37.9431 173.6593 114 M 4.4859 8.1534 111.8585 54.3544 32.9367 175.1262 115 E 4.7689 8.2614 119.8138 55.4766 30.2265 175.0462 116 A 5.3138 7.4650 114.1000 51.6031 21.2493 176.8920 117 I 4.0281 7.8452 124.5654 61.9551 38.3199 176.5726 118 N 5.8813 9.5635 121.2981 51.4479 41.7350 173.3180 119 Y 5.2927 8.0188 119.6434 56.0553 42.5441 173.7264 120 M 5.5269 8.2610 123.0832 54.1278 36.5937 173.3825 121 A 4.9799 8.2384 124.9357 50.7281 23.0884 174.7532 122 A 5.2720 8.9380 124.2242 50.7172 22.0211 175.2262 123 D 4.6816 9.3181 119.3133 54.2582 45.5770 175.3892 124 G 4.0451 8.7970 107.0891 45.1862 0.0000 173.4154 125 D 4.8437 8.6117 116.1355 53.1436 39.2435 176.8795 126 F 5.0453 7.7798 119.3274 56.5372 43.0057 174.1888 127 K 4.2415 8.1863 128.2616 54.3166 33.6644 175.3445 128 I 3.8499 7.9959 128.9832 61.4545 37.3739 176.2772 129 K 4.2995 8.6821 124.2211 56.3943 33.8624 176.2991 *131 V 3.9611 7.6980 119.5411 62.6293 32.3346 174.2287 132 A 4.7622 8.7599 128.8689 50.2464 22.8389 174.7026 133 F 5.3122 8.9384 118.2081 55.0232 40.2537 175.1736 134 E 4.4009 8.9107 121.0270 56.1094 29.6606 176.1574 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 3 G 8.30 4.58 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 0.00 0.00 0.00 4 L 8.49 4.05 0.00 1.86 1.56 0.92 0.48 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 5 V 8.80 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 0.97 0.00 0.00 1.05 0.00 0.00 6 A 9.00 4.87 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 0.00 0.00 0.00 0.00 0.00 7 S 8.54 5.22 0.00 3.97 4.15 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 8 N 9.01 4.49 0.00 2.97 3.06 0.00 0.00 7.01 7.49 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 9 L 7.57 3.94 0.00 1.79 1.83 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.58 5.17 0.00 2.78 2.92 0.00 0.00 6.32 7.79 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 11 L 9.15 4.50 0.00 1.70 1.95 1.13 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 K 9.48 5.00 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.62 7.81 13 P 0.00 3.11 0.00 1.79 1.59 0.00 3.58 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 1.93 1.62 0.00 14 G 8.54 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 0.00 0.00 0.00 15 E 8.14 4.29 0.00 2.13 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 2.36 2.46 0.00 16 C 9.03 5.13 0.00 2.96 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 17 L 8.71 4.76 0.00 1.62 1.50 0.48 0.59 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 18 K 8.55 4.67 0.00 1.80 1.54 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.31 7.81 19 V 8.74 4.66 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 1.14 0.00 0.00 0.86 0.00 0.00 20 R 8.32 5.13 0.00 1.89 1.68 0.00 3.26 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 21 G 9.06 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 0.00 0.00 0.00 22 E 8.19 5.18 0.00 1.94 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 0.00 2.12 2.10 0.00 23 L 9.18 4.76 0.00 1.64 1.55 0.80 1.00 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 24 A 8.46 4.30 1.22 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 0.00 0.00 25 P 0.00 4.53 0.00 2.02 2.11 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 26 D 7.62 4.79 0.00 2.69 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 27 A 7.93 3.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.76 4.38 0.00 2.01 1.90 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.43 7.81 29 S 7.58 5.36 0.00 4.11 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 30 F 7.63 5.52 0.00 3.30 3.20 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 0.00 31 V 9.69 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 1.04 0.00 0.00 0.93 0.00 0.00 32 L 8.60 5.10 0.00 1.93 1.52 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.53 5.63 0.00 2.74 2.87 0.00 0.00 6.33 6.68 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 34 L 9.33 5.23 0.00 1.54 1.46 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.05 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 0.00 0.00 0.00 0.00 36 K 8.81 4.16 0.00 1.71 1.83 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 D 7.35 3.87 0.00 2.51 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 38 S 7.71 3.80 0.00 3.92 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 39 N 8.28 4.60 0.00 2.64 2.81 0.00 0.00 6.60 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 40 N 8.19 5.45 0.00 2.61 2.65 0.00 0.00 6.82 6.89 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 41 L 8.53 5.17 0.00 1.71 1.78 1.06 0.81 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 42 C 8.99 4.40 0.00 3.05 3.08 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 43 L 7.78 4.52 0.00 1.75 1.48 0.60 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.16 5.20 0.00 3.55 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.19 4.35 0.00 3.04 2.96 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 46 N 8.48 4.59 0.00 2.39 2.47 0.00 0.00 6.81 7.32 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 47 P 0.00 4.44 0.00 1.48 1.47 0.00 2.76 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 48 R 9.01 4.63 0.00 1.60 1.84 0.00 3.02 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 49 F 9.28 3.90 0.00 3.35 3.21 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 50 N 8.43 4.99 0.00 2.71 2.73 0.00 0.00 7.06 7.83 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 51 A 9.16 4.27 1.17 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 0.00 0.00 0.00 52 H 9.87 3.85 0.00 3.27 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.60 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 54 D 8.05 4.90 0.00 2.72 2.43 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 0.00 55 A 8.05 4.88 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 56 N 7.98 2.00 0.00 2.41 2.14 0.00 0.00 6.66 7.07 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 57 T 7.13 4.59 4.09 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 1.09 0.00 0.00 58 I 8.30 4.32 1.70 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 1.01 0.75 0.51 0.00 0.00 59 V 8.12 4.42 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 0.86 0.00 0.00 0.79 0.00 0.00 60 C 8.31 5.64 0.00 3.06 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 0.00 0.00 0.00 0.00 61 N 7.47 5.13 0.00 2.71 2.75 0.00 0.00 6.42 7.63 0.00 0.00 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 S 8.64 5.39 0.00 4.19 4.29 0.00 0.00 0.00 0.00 0.00 0.00 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 9.13 4.89 0.00 1.18 1.42 0.00 1.10 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 0.76 7.81 64 D 8.96 4.85 0.00 2.72 2.47 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 65 D 10.28 4.33 0.00 2.72 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 66 G 8.34 3.79 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 0.00 0.00 0.00 67 T 7.44 4.37 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 1.16 0.00 0.00 68 W 8.54 4.77 0.00 3.20 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 69 G 8.77 4.42 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 0.00 0.00 0.00 70 T 8.53 4.43 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 71 E 8.79 4.50 0.00 1.83 1.84 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 2.21 2.22 0.00 72 Q 8.94 4.61 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 73 R 8.66 5.00 0.00 1.64 1.71 0.00 3.14 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 74 E 8.64 4.44 0.00 1.39 1.37 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 1.62 1.47 0.00 75 T 8.63 3.76 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 1.16 0.00 0.00 76 A 7.73 4.14 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 77 F 8.22 4.74 0.00 2.97 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 78 P 0.00 4.48 0.00 1.86 2.03 0.00 3.24 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.78 0.00 79 F 7.13 5.18 0.00 2.16 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 80 Q 8.76 4.91 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 81 P 0.00 4.15 0.00 2.00 1.90 0.00 3.91 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 1.97 1.60 0.00 82 G 8.73 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 0.00 0.00 0.00 0.00 83 S 7.68 4.81 0.00 3.89 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 84 I 8.33 5.06 1.88 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 1.36 0.63 0.96 0.00 0.00 85 T 9.02 4.98 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 1.42 0.00 0.00 86 E 8.64 5.20 0.00 2.16 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 2.21 2.32 0.00 87 V 8.55 4.43 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 0.63 0.00 0.00 0.97 0.00 0.00 *89 I 8.18 4.30 1.78 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.23 0.86 0.00 0.00 90 T 8.35 5.45 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 91 F 8.17 5.47 0.00 3.20 3.11 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 92 D 8.84 4.41 0.00 2.72 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 93 Q 9.15 4.34 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.92 0.00 94 A 7.51 3.80 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 5.18 0.00 3.11 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 L 9.21 4.80 0.00 1.77 1.69 1.23 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.80 4.61 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 1.21 0.00 0.00 98 I 7.81 4.07 0.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.20 0.46 0.00 0.00 99 K 8.25 4.40 0.00 1.64 1.61 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.46 7.81 100 L 8.42 4.34 0.00 2.01 1.44 1.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.28 0.00 2.15 2.36 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 102 D 7.75 4.50 0.00 2.69 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 0.00 103 G 8.02 4.35 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 0.00 104 H 7.59 4.60 0.00 3.23 3.49 0.00 5.40 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.52 5.07 0.00 2.08 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 2.18 2.26 0.00 106 F 8.02 5.20 0.00 3.22 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 0.00 107 K 8.95 5.22 0.00 1.73 1.82 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.45 7.81 108 F 8.97 5.01 0.00 3.29 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 0.00 109 P 0.00 4.41 0.00 1.94 1.92 0.00 2.94 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.67 0.00 110 N 8.39 4.77 0.00 2.97 3.11 0.00 0.00 6.93 7.89 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 0.00 111 R 8.05 3.93 0.00 1.89 2.03 0.00 3.32 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 112 L 8.00 4.10 0.00 1.66 1.75 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.08 4.25 0.00 2.81 2.86 0.00 0.00 7.12 8.40 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 0.00 114 M 8.15 4.49 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 115 E 8.26 4.77 0.00 2.12 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 2.33 2.41 0.00 116 A 7.47 5.31 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 4.03 1.77 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.30 0.93 0.00 0.00 118 N 9.56 5.88 0.00 2.65 2.83 0.00 0.00 6.28 8.17 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 0.00 119 Y 8.02 5.29 0.00 3.11 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 0.00 120 M 8.26 5.53 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 121 A 8.24 4.98 1.08 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 0.00 122 A 8.94 5.27 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 9.32 4.68 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.80 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 0.00 125 D 8.61 4.84 0.00 2.69 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 0.00 126 F 7.78 5.05 0.00 2.53 2.89 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 0.00 127 K 8.19 4.24 0.00 1.72 1.43 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.27 7.81 128 I 8.00 3.85 1.75 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 1.29 0.48 0.84 0.00 0.00 129 K 8.68 4.30 0.00 1.50 1.72 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.38 7.81 *131 V 7.70 3.96 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 0.43 0.00 0.00 0.88 0.00 0.00 132 A 8.76 4.76 1.15 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 0.00 0.00 133 F 8.94 5.31 0.00 2.86 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 0.00 134 E 8.91 4.40 0.00 2.06 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 0.00 2.17 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.