NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3779 8.2644 123.5880 52.0673 20.4826 176.4440 2 T 4.1904 7.4492 113.1140 62.9187 68.8762 171.9023 3 K 5.3602 8.9524 126.3059 54.7971 37.0256 174.4980 4 A 5.4023 9.3590 123.9887 50.6644 23.3082 175.3334 5 V 5.0321 8.8541 117.8612 60.5059 35.5408 173.6575 6 C 5.0590 9.0574 121.5231 57.7941 35.6140 172.5510 7 V 4.6853 8.4204 125.1525 61.2024 33.7139 173.8746 8 L 5.1299 8.9225 128.6711 53.6350 43.4325 175.9534 9 K 4.9496 8.3539 121.5782 55.6321 37.2062 175.9549 10 G 4.4089 7.8768 108.0867 45.9556 0.0000 172.3828 11 D 4.5083 8.8079 118.4533 56.3357 41.8227 177.1970 12 G 4.0504 7.7036 110.4486 44.7218 0.0000 171.8344 13 P 4.5860 0.0000 0.0000 62.6170 32.0735 175.8996 14 V 4.1564 7.4976 121.3682 63.2813 32.5610 174.5791 15 Q 5.3526 8.2694 124.8198 55.2168 32.5852 173.7434 16 G 4.2005 8.1097 106.5834 46.1569 0.0000 171.6561 17 I 5.2069 8.2962 119.6655 59.4823 41.3384 175.0635 18 I 4.6923 8.8126 127.1782 59.5478 40.5485 174.5177 19 N 4.9973 8.5909 125.0395 51.6520 41.1552 174.0607 20 F 5.3370 8.9840 119.4306 55.8654 43.4980 173.6697 21 E 5.2057 9.7649 123.6650 55.1400 33.5447 173.7119 22 Q 4.7147 8.6921 128.3312 54.7045 32.7701 176.1800 *26 N 4.6033 8.8120 119.6238 53.0520 40.1555 174.4733 27 G 4.0000 7.8466 107.4199 43.6067 0.0000 172.0197 28 P 4.6312 0.0000 0.0000 62.7349 32.6269 175.4319 29 V 4.5705 8.7614 120.7922 61.3413 33.5080 174.5691 30 K 4.9045 9.5071 128.0701 55.5574 34.0544 175.8344 31 V 4.7680 8.9609 124.7094 60.8391 34.2273 174.2331 32 W 5.3260 7.9050 123.8501 55.1162 31.9406 175.3123 33 G 3.9905 7.5930 106.4275 46.3700 0.0000 171.1400 34 S 5.1749 7.6703 114.2578 56.9499 67.7739 173.4722 35 I 4.9485 8.7307 123.6445 59.5724 40.6086 175.0175 36 K 4.7149 9.4997 126.0768 55.3065 35.5212 177.2428 37 G 3.7416 8.8107 107.7617 45.8588 0.0000 173.5508 38 L 4.4500 7.8326 120.0960 53.2667 42.9834 176.5693 39 T 4.4287 8.1005 111.3727 60.7491 69.8126 174.1778 40 E 4.1561 8.6785 124.2475 55.8026 30.2916 176.9582 41 G 4.1810 7.6578 112.3245 43.6717 0.0000 171.3351 42 L 4.9088 7.6936 119.9727 54.1243 43.1959 176.6230 43 H 5.0099 9.1716 119.5273 53.6095 32.6535 173.2943 44 G 4.1164 8.9793 111.1186 47.0285 0.0000 172.2099 45 F 5.5826 8.3604 123.6515 57.0845 42.6279 172.9944 46 H 5.1704 8.9150 122.1491 54.4341 34.1043 172.2954 47 V 4.5580 8.4885 120.0836 61.9793 33.3027 174.8760 48 H 5.1614 9.2448 124.9189 53.9783 31.4510 175.3615 49 E 3.8147 8.7656 121.2237 59.0701 29.8224 176.9722 50 F 5.0551 7.9064 118.1867 54.9200 41.7721 176.5003 51 G 4.0896 8.4559 111.4566 45.0439 0.0000 174.2829 52 D 4.6143 7.8156 119.6989 51.7512 41.3515 174.9644 53 N 4.1966 8.5209 125.8676 54.2003 39.4183 175.5556 *57 C 4.6860 8.7341 121.8973 56.5073 42.2337 175.6982 58 T 3.7591 7.8932 110.0027 64.5217 68.3380 175.3267 59 S 4.4531 8.0449 115.9313 58.9126 63.3086 175.3052 60 A 4.0192 7.3792 123.7061 52.5811 18.3914 178.7633 61 G 4.1774 7.5982 104.0392 43.6830 0.0000 170.6722 62 P 4.6459 0.0000 0.0000 62.0522 33.5164 175.2275 63 H 4.2529 8.3733 116.3650 55.6060 29.6741 175.4962 64 F 4.3294 9.1918 125.1331 58.3276 40.2109 175.0703 65 N 4.9471 8.4830 125.5777 50.5394 36.8423 173.7251 66 P 4.1249 0.0000 0.0000 65.6660 31.9170 177.8038 67 L 4.3602 7.5612 116.4159 53.6987 42.1127 175.9973 68 S 3.6459 7.6069 113.7838 59.6217 60.6532 172.3801 69 R 4.4108 7.7317 117.5104 54.8768 31.8251 176.4318 70 K 4.3804 9.1739 118.7333 55.8549 33.6205 176.5642 71 H 3.9993 8.7955 123.2077 57.0311 30.5192 174.8633 72 G 4.2853 7.5108 109.5253 45.8278 0.0000 172.0987 73 G 4.1684 9.3128 109.5179 43.1067 0.0000 173.2921 74 P 4.2937 0.0000 0.0000 65.1005 31.1688 177.4160 75 K 4.3422 7.8396 115.6742 56.4369 32.7008 176.3921 76 D 4.6066 7.6440 119.8589 53.8093 41.4228 176.5988 77 E 3.9330 8.7622 122.5446 58.7706 30.0829 176.6583 78 E 4.3123 7.9097 120.7951 55.1199 29.3164 174.5984 79 R 4.9964 7.6557 120.2446 56.3665 32.1514 174.1892 80 H 4.5837 9.2118 116.3513 54.9614 29.5549 177.2003 81 V 3.5053 8.1803 121.8705 65.9472 31.5236 177.2536 82 G 3.9119 8.0593 106.6379 46.3800 0.0000 173.1262 83 D 5.0503 7.7573 120.6219 54.4238 39.2578 176.2779 84 L 4.6802 8.1025 122.8572 53.6758 45.0329 175.4918 85 R 4.5982 8.4416 116.4526 55.2272 32.4110 175.1267 86 N 4.8964 8.6597 116.5147 53.6409 39.0862 175.6503 87 V 4.2309 8.8728 116.6821 60.3288 34.3767 174.8298 88 T 4.9619 8.2552 118.8744 61.8989 71.0357 173.1019 89 A 4.8979 8.7009 128.2668 50.2168 21.8018 176.4818 90 D 4.7067 8.4863 122.2454 52.7914 42.9444 176.4248 91 K 3.9776 8.7564 120.5986 59.7752 31.8426 177.2285 92 D 4.4493 8.0353 114.2462 53.6918 39.4486 176.7811 93 G 4.3444 8.6550 109.0025 45.1576 0.0000 172.7371 94 V 4.7553 8.0692 119.9094 60.8098 33.9469 174.3484 95 A 4.9673 9.1208 129.5659 49.4789 21.2189 174.7621 96 D 4.9649 8.6818 122.9997 53.6739 42.2252 176.2692 97 V 4.2235 8.9873 124.5912 61.3144 33.8270 174.9866 98 S 5.1362 8.4744 122.8453 57.7928 63.7975 172.5733 99 I 4.8758 9.3425 120.8128 59.1522 41.8215 173.4188 100 E 5.1298 8.7550 122.3033 54.4349 32.2278 174.0918 101 D 5.0426 9.2211 125.8657 52.8609 44.1506 176.3271 102 S 4.4757 8.9996 120.1459 59.3598 63.8794 175.2375 103 V 4.0158 8.0185 119.3258 64.4413 32.0195 176.0172 104 I 4.1867 8.0756 112.2619 60.8968 38.4177 174.2923 105 S 4.5835 8.0815 113.3723 58.3010 64.9192 175.1385 106 L 4.4855 9.3070 119.3162 54.2961 41.6703 176.5637 107 S 4.5986 7.6043 111.4154 58.0159 66.5701 175.8119 108 G 3.8975 8.5599 107.7296 45.8449 0.0000 174.1528 109 D 4.5227 8.7747 118.7232 57.1671 41.1741 176.7202 110 H 5.0010 8.0566 113.9322 55.4479 28.9968 174.2849 111 C 4.8947 8.4937 119.9154 59.4769 31.7808 173.3303 112 I 3.9134 8.0664 118.4495 60.2894 38.0755 175.3295 113 I 3.7510 7.3008 123.1611 62.9286 37.5580 176.3081 114 G 3.8022 9.3519 113.9487 45.1652 0.0000 172.8932 115 R 4.8999 7.5418 119.2999 54.7606 33.2919 174.8006 116 T 4.9772 7.8468 108.0793 60.1687 71.7296 173.1377 117 L 4.9552 8.6812 125.9241 53.4988 44.6431 175.2086 118 V 5.0468 8.7632 125.6147 61.0139 35.1355 174.1595 119 V 5.0587 8.6550 126.9971 60.5038 33.7304 174.8774 120 H 5.2596 9.1830 121.6464 54.1903 30.4833 174.8462 121 E 4.2260 9.3138 121.8124 58.7243 30.1915 176.4020 122 K 4.8101 8.5507 117.3237 53.7057 36.3140 175.7026 123 A 4.5775 8.3689 122.2632 52.2698 19.6804 176.0597 124 D 4.9535 10.1923 122.0494 53.2821 42.1629 176.0282 125 D 4.6550 9.2908 124.9661 52.8118 39.4412 176.4543 126 L 3.5713 9.7843 118.9722 56.0943 39.8311 176.0648 127 G 4.1232 8.5594 103.9649 45.7838 0.0000 174.8734 128 K 4.6080 7.9699 118.0816 55.9275 32.6395 177.6881 129 G 3.6611 8.3637 110.1816 46.4516 0.0000 176.0289 130 G 3.9383 9.1111 107.3766 45.1535 0.0000 172.1066 131 N 5.0886 7.4851 114.8899 49.6725 40.9260 174.6132 132 E 4.0369 8.7170 118.4911 59.3759 29.6534 178.1667 133 E 3.9356 8.2227 118.9308 59.3153 29.4567 178.5106 134 S 4.2137 8.1870 113.0962 61.3981 62.4719 175.6075 135 T 4.2201 8.0112 110.5963 62.6886 68.5231 175.5100 136 K 4.2534 7.6959 119.5022 57.8530 34.1482 176.7433 137 T 4.0483 8.0479 105.0384 60.1206 70.1943 174.9585 138 G 3.8165 8.1612 110.2388 45.1327 0.0000 173.1942 139 N 4.2657 7.7347 114.0751 54.2081 36.5183 175.0727 140 A 4.3699 7.4039 119.3031 51.9769 19.5147 179.3860 141 G 3.8300 7.9506 103.4860 43.9651 0.0000 173.2707 142 S 4.3123 8.4135 112.5504 58.7195 64.3762 174.1370 143 R 4.3817 8.4469 121.1308 55.6574 29.4294 176.3176 144 L 4.2884 8.9395 125.9802 57.4859 43.0581 177.1643 145 A 4.6929 7.7242 117.2529 51.4803 22.5793 174.0994 146 C 5.6675 8.4160 113.8745 54.9702 45.4760 172.8296 147 G 4.8957 8.0997 103.2660 46.0529 0.0000 172.7773 148 V 4.3298 8.3164 122.7369 62.3048 32.8325 175.5235 149 I 4.0893 9.0190 129.2708 60.9947 37.9518 175.3608 150 G 4.4363 9.0619 114.4265 43.8157 0.0000 171.9575 151 I 4.2375 8.2978 121.1551 61.0416 37.8786 176.2931 152 A 4.4024 8.5362 127.6676 52.0069 18.7002 176.4367 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 A 8.26 4.38 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.45 4.19 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 3 K 8.95 5.36 0.00 1.74 1.70 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.48 7.81 4 A 9.36 5.40 1.09 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 0.00 0.00 5 V 8.85 5.03 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 0.78 0.00 0.00 0.98 0.00 0.00 6 C 9.06 5.06 0.00 3.16 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 7 V 8.42 4.69 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 0.95 0.00 0.00 0.92 0.00 0.00 8 L 8.92 5.13 0.00 1.61 1.58 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.35 4.95 0.00 1.67 1.63 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.23 7.81 10 G 7.88 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.81 4.51 0.00 2.66 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 12 G 7.70 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 13 P 0.00 4.59 0.00 2.18 2.16 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 14 V 7.50 4.16 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 1.02 0.00 0.00 0.94 0.00 0.00 15 Q 8.27 5.35 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.36 0.00 0.00 0.00 0.00 0.00 2.45 2.15 0.00 16 G 8.11 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 0.00 0.00 0.00 0.00 17 I 8.30 5.21 1.83 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 1.21 1.02 0.83 0.00 0.00 18 I 8.81 4.69 1.82 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 1.27 1.55 0.40 0.00 0.00 19 N 8.59 5.00 0.00 1.44 1.58 0.00 0.00 6.36 8.01 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 20 F 8.98 5.34 0.00 2.84 2.90 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 21 E 9.76 5.21 0.00 2.34 2.19 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 2.34 2.39 0.00 22 Q 8.69 4.71 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.37 0.00 0.00 0.00 0.00 0.00 2.28 2.62 0.00 *26 N 8.81 4.60 0.00 2.79 2.87 0.00 0.00 6.69 7.65 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 27 G 7.85 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 0.00 0.00 0.00 28 P 0.00 4.63 0.00 2.14 2.12 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 29 V 8.76 4.57 2.23 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 1.30 0.00 0.00 1.06 0.00 0.00 30 K 9.51 4.90 0.00 2.01 1.89 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.55 7.81 31 V 8.96 4.77 2.15 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 0.70 0.00 0.00 1.02 0.00 0.00 32 W 7.90 5.33 0.00 3.56 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 33 G 7.59 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 34 S 7.67 5.17 0.00 3.73 3.68 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 35 I 8.73 4.95 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 0.88 0.00 0.00 36 K 9.50 4.71 0.00 1.67 1.68 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.39 7.81 37 G 8.81 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 38 L 7.83 4.45 0.00 1.80 1.43 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.10 4.43 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 1.23 0.00 0.00 40 E 8.68 4.16 0.00 1.96 1.91 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 2.29 2.47 0.00 41 G 7.66 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 42 L 7.69 4.91 0.00 1.48 1.57 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.17 5.01 0.00 2.99 3.31 0.00 5.63 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 44 G 8.98 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 45 F 8.36 5.58 0.00 3.07 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 46 H 8.91 5.17 0.00 3.11 3.08 0.00 5.84 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.49 4.56 2.15 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 0.74 0.00 0.00 0.89 0.00 0.00 48 H 9.24 5.16 0.00 3.03 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.77 3.81 0.00 1.63 1.12 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 1.47 2.06 0.00 50 F 7.91 5.06 0.00 3.03 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 51 G 8.46 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 0.00 0.00 0.00 0.00 52 D 7.82 4.61 0.00 2.68 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 53 N 8.52 4.20 0.00 2.69 2.72 0.00 0.00 7.22 7.65 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 *57 C 8.73 4.69 0.00 3.03 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 58 T 7.89 3.76 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 59 S 8.04 4.45 0.00 3.93 4.06 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 60 A 7.38 4.02 1.34 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 0.00 0.00 61 G 7.60 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 62 P 0.00 4.65 0.00 2.01 2.18 0.00 3.40 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 1.90 1.92 0.00 63 H 8.37 4.25 0.00 2.77 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.19 4.33 0.00 3.07 2.92 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 65 N 8.48 4.95 0.00 2.70 2.60 0.00 0.00 6.31 8.36 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 66 P 0.00 4.12 0.00 1.99 1.91 0.00 2.97 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 1.46 0.95 0.00 67 L 7.56 4.36 0.00 1.56 1.67 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.61 3.65 0.00 3.99 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 69 R 7.73 4.41 0.00 1.84 1.92 0.00 3.27 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 70 K 9.17 4.38 0.00 1.58 1.79 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.51 7.81 71 H 8.80 4.00 0.00 3.21 3.30 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.51 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 0.00 0.00 0.00 73 G 9.31 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 0.00 0.00 0.00 0.00 74 P 0.00 4.29 0.00 2.22 2.25 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 75 K 7.84 4.34 0.00 1.77 1.89 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.40 7.81 76 D 7.64 4.61 0.00 2.81 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 77 E 8.76 3.93 0.00 1.94 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 2.31 2.29 0.00 78 E 7.91 4.31 0.00 2.01 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 0.00 2.28 2.43 0.00 79 R 7.66 5.00 0.00 1.98 1.88 0.00 2.88 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 80 H 9.21 4.58 0.00 3.52 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.18 3.51 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 0.74 0.00 0.00 0.45 0.00 0.00 82 G 8.06 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 0.00 0.00 0.00 83 D 7.76 5.05 0.00 2.66 2.75 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 84 L 8.10 4.68 0.00 1.88 1.84 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.44 4.60 0.00 1.93 2.15 0.00 2.99 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 86 N 8.66 4.90 0.00 2.65 2.80 0.00 0.00 6.78 7.68 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 87 V 8.87 4.23 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 -0.21 0.00 0.00 0.76 0.00 0.00 88 T 8.26 4.96 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 1.20 0.00 0.00 89 A 8.70 4.90 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.49 4.71 0.00 2.75 2.75 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 91 K 8.76 3.98 0.00 1.75 1.84 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.40 7.81 92 D 8.04 4.45 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.34 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 0.00 0.00 0.00 94 V 8.07 4.76 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 0.92 0.00 0.00 0.97 0.00 0.00 95 A 9.12 4.97 1.13 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 0.00 0.00 96 D 8.68 4.96 0.00 2.56 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.99 4.22 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 0.85 0.00 0.00 0.61 0.00 0.00 98 S 8.47 5.14 0.00 3.92 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 99 I 9.34 4.88 1.94 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 1.39 0.64 0.95 0.00 0.00 100 E 8.76 5.13 0.00 1.99 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 2.22 2.32 0.00 101 D 9.22 5.04 0.00 2.88 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 0.00 102 S 9.00 4.48 0.00 3.92 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 0.00 103 V 8.02 4.02 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 0.87 0.00 0.00 0.96 0.00 0.00 104 I 8.08 4.19 1.96 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 1.68 0.82 1.07 0.00 0.00 105 S 8.08 4.58 0.00 4.00 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 0.00 106 L 9.31 4.49 0.00 1.69 1.68 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.60 4.60 0.00 4.02 3.78 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 0.00 108 G 8.56 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 0.00 0.00 0.00 109 D 8.77 4.52 0.00 2.71 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 0.00 110 H 8.06 5.00 0.00 3.14 3.40 0.00 5.73 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.49 4.89 0.00 2.95 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 0.00 112 I 8.07 3.91 1.57 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.25 0.96 0.00 0.00 113 I 7.30 3.75 1.77 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 1.20 0.38 0.83 0.00 0.00 114 G 9.35 3.80 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 0.00 0.00 0.00 115 R 7.54 4.90 0.00 1.48 1.81 0.00 2.27 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.91 0.00 116 T 7.85 4.98 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 1.23 0.00 0.00 117 L 8.68 4.96 0.00 1.77 1.55 0.39 0.93 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 0.00 118 V 8.76 5.05 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 0.77 0.00 0.00 0.70 0.00 0.00 119 V 8.66 5.06 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 0.80 0.00 0.00 0.97 0.00 0.00 120 H 9.18 5.26 0.00 3.18 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.31 4.23 0.00 1.99 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 0.00 2.36 2.34 0.00 122 K 8.55 4.81 0.00 1.82 1.67 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.51 7.81 123 A 8.37 4.58 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 0.00 124 D 10.19 4.95 0.00 2.64 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 0.00 125 D 9.29 4.66 0.00 2.95 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 0.00 126 L 9.78 3.57 0.00 1.83 1.82 0.94 0.92 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 0.00 127 G 8.56 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 0.00 128 K 7.97 4.61 0.00 1.86 1.80 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 129 G 8.36 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 0.00 130 G 9.11 3.94 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 0.00 0.00 0.00 131 N 7.49 5.09 0.00 2.75 2.75 0.00 0.00 6.12 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 0.00 132 E 8.72 4.04 0.00 2.05 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 2.37 2.36 0.00 133 E 8.22 3.94 0.00 2.11 2.18 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 2.37 2.42 0.00 134 S 8.19 4.21 0.00 4.11 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 0.00 135 T 8.01 4.22 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 1.21 0.00 0.00 136 K 7.70 4.25 0.00 1.81 1.80 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.32 1.44 7.81 137 T 8.05 4.05 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 1.19 0.00 0.00 138 G 8.16 3.82 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 0.00 0.00 0.00 139 N 7.73 4.27 0.00 3.03 2.92 0.00 0.00 6.86 7.12 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 0.00 140 A 7.40 4.37 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 0.00 141 G 7.95 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 0.00 0.00 0.00 142 S 8.41 4.31 0.00 3.93 4.04 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 0.00 143 R 8.45 4.38 0.00 1.69 1.85 0.00 3.27 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 144 L 8.94 4.29 0.00 1.71 1.70 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.72 4.69 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 0.00 146 C 8.42 5.67 0.00 2.95 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 0.00 147 G 8.10 4.90 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 0.00 0.00 0.00 148 V 8.32 4.33 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 0.75 0.00 0.00 0.92 0.00 0.00 149 I 9.02 4.09 1.76 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.42 0.36 0.00 0.00 150 G 9.06 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.30 4.24 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.54 4.40 1.20 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.