NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1P L 4.0104 8.2845 122.4849 55.8327 43.2196 172.6363 *2P Y 3.2938 8.4614 129.3577 54.8194 36.3582 168.1046 3P P 4.6210 0.0000 0.0000 60.6070 33.0080 175.5840 4P E 3.9437 8.6827 127.8052 56.6170 29.6036 177.8936 5P E 4.2175 8.9867 123.3642 58.8036 29.7684 175.1386 6P I 3.9129 7.7023 116.8487 65.3152 37.3695 178.0104 7P L 4.3718 7.8849 117.3950 55.5579 41.3161 178.4332 8P D 4.4691 7.8113 120.0011 58.1564 41.0113 178.9307 9P T 4.0008 8.0226 109.2117 65.3056 68.5811 175.9418 10P H 4.4424 8.2220 118.4169 58.5581 28.9076 177.1406 11P W 3.3852 8.8601 130.5845 60.3403 30.3767 177.5216 12P E 3.8014 8.2776 118.9105 59.0896 29.0783 178.5582 13P L 3.9442 7.8210 119.9472 57.8340 42.2139 178.6625 14P W 4.1767 8.7303 128.6039 60.4815 30.6589 177.9268 15P K 3.5115 8.1804 121.1012 59.8208 31.4444 179.9501 16P K 3.8363 7.9496 123.6932 60.3207 31.4701 180.9098 17P T 4.0602 7.9864 116.1697 65.7137 68.2804 174.7747 18P H 4.4825 7.3759 118.3649 55.3802 29.2226 174.4444 19P R 3.6531 7.6147 115.3516 56.7473 27.1475 179.6343 20P K 3.9755 7.7036 120.5492 57.2979 32.7105 177.7462 21P Q 4.5403 7.7528 120.6292 53.2381 32.1289 171.3001 22P Y 4.8902 8.1501 116.0023 56.1733 41.4113 175.2267 23P N 4.4208 8.3746 121.2970 55.8019 39.3076 176.2910 24P N 4.8581 7.7441 114.3051 52.2754 41.7401 176.4539 25P K 4.0961 8.3906 120.9763 59.2402 32.2515 179.9769 26P V 3.5006 7.6773 118.2420 65.9711 31.6064 177.1553 27P D 4.3545 8.1433 117.2455 57.4250 41.0354 177.6704 28P E 3.2310 8.0712 119.4405 59.2024 29.6390 178.5943 29P I 3.3417 7.8704 120.0936 64.5335 37.2754 178.1130 30P S 4.0125 7.9603 113.5938 61.5433 62.0083 176.6148 31P R 4.0199 7.6632 120.4167 59.3150 29.9177 178.7168 32P R 2.5100 7.6160 118.7358 59.1529 29.7926 178.4602 33P L 3.9803 7.7960 118.3888 57.3831 41.4440 179.5944 34P I 3.7608 7.2299 118.7556 63.8723 37.0557 177.8846 35P W 4.6878 8.2912 130.8193 60.1509 29.9890 177.8725 36P E 3.6972 8.4269 118.2998 59.1097 28.8797 179.2905 37P K 3.9544 7.8352 119.2772 59.4328 32.2633 178.7131 38P N 4.3020 8.3438 116.9695 56.2958 38.4381 176.8367 39P L 3.7187 7.7879 122.0497 58.1789 41.8324 179.1044 40P K 3.8414 7.7627 118.8065 59.5416 32.1838 178.0643 41P Y 4.0266 7.7142 119.3133 60.8213 38.6964 177.9996 42P I 3.5946 8.2648 120.8710 64.7477 36.7761 178.5095 43P S 4.0788 8.2821 115.9737 61.8193 62.7934 176.9604 44P I 3.8305 7.9580 122.4023 63.9745 36.8712 177.9602 45P H 4.1464 7.8258 120.7637 58.8075 29.6967 177.1710 46P N 4.3263 8.2109 118.0968 55.7220 38.2185 177.3199 47P L 3.8340 7.3374 121.0137 58.2972 42.1893 178.7293 48P E 3.8424 7.9078 117.9175 59.2643 29.3117 179.3214 49P A 4.0106 7.7957 120.9759 55.2038 18.2520 179.9197 50P S 4.1482 7.7950 111.3981 61.1765 63.0739 175.7054 51P L 4.3856 7.4638 120.3797 54.3868 41.2342 177.2505 52P G 3.8355 7.7149 106.4788 46.3056 0.0000 175.2771 53P V 3.8127 7.9936 121.6725 63.8960 31.9659 176.0656 54P H 5.0243 7.5600 114.7939 54.1532 31.9066 172.7702 55P T 4.5226 8.7127 112.3341 61.4991 68.8455 173.5582 56P Y 4.8783 7.1497 117.9883 56.7330 40.4922 173.1357 57P E 4.8096 8.6036 118.9504 54.6115 33.1675 175.4122 58P L 4.7633 8.8206 120.7469 53.4620 44.1423 175.9338 59P A 4.6321 7.8899 121.0627 50.9284 21.9376 175.8755 60P M 4.2828 8.6251 121.1393 55.3695 33.0897 175.2506 61P N 5.3792 8.5283 123.9342 51.3829 40.3294 174.0159 62P H 4.2272 8.7374 112.1357 58.1507 29.0700 175.6273 63P L 4.6736 8.3152 120.6349 54.6431 41.8391 178.3180 64P G 4.0588 8.7989 111.7121 48.8909 0.0000 175.1154 65P D 5.2454 8.6367 117.1613 53.2355 39.8749 175.6386 66P M 4.9184 7.9135 118.2842 54.0048 35.3274 176.3148 67P T 4.3366 8.1803 112.4499 60.7547 71.6531 175.6905 68P S 4.0892 8.6923 118.6983 62.5013 62.2931 176.7921 69P E 3.9816 8.2371 120.0787 61.4658 29.3847 180.6151 70P E 4.2132 7.8975 119.6081 59.1320 29.5187 179.7303 71P V 3.5628 7.7869 118.1305 66.1890 31.4570 178.3149 72P V 3.7446 7.9740 116.8458 66.2800 31.3437 177.5507 73P Q 4.1014 8.3839 117.7344 58.8349 28.7275 178.3709 74P K 4.2886 8.7483 120.1224 58.1626 32.3681 177.9250 75P M 4.8898 8.3477 118.0945 54.9343 34.3039 175.5952 76P T 4.2081 8.2160 109.8001 60.8951 68.5415 174.3205 77P G 3.8382 9.4710 106.0829 44.8841 0.0000 173.2170 78P L 4.2132 7.7784 122.5806 53.8101 42.6693 176.1015 79P K 4.4056 8.2783 126.5382 53.8781 32.9546 175.3801 80P V 3.7585 8.2256 118.7772 60.6694 32.3025 175.3792 81P P 4.2495 0.0000 0.0000 63.8467 31.5316 177.8061 82P L 4.0580 9.2629 120.5255 55.2381 41.8897 174.4264 83P S 4.5382 7.8377 114.2552 58.0009 63.6390 172.6732 *84P H 4.2930 8.3789 127.1195 56.4210 28.7975 176.4974 85P S 4.4188 8.9102 119.1503 58.2802 61.8708 167.8608 86P R 4.5878 8.4309 117.6610 56.0347 29.6041 176.2234 87P S 4.4031 8.0229 114.7059 57.3653 61.5828 168.8155 88P N 4.9373 8.0456 116.7133 54.7698 39.3367 175.2432 89P D 4.4615 8.5456 115.0366 53.2321 40.9161 173.1084 90P T 3.4663 8.7741 112.4062 62.3335 66.9602 175.2180 91P L 4.1022 7.6775 123.1585 56.9713 39.6973 181.2938 *92P Y 5.1126 7.7344 128.1419 55.4210 39.2564 170.3207 93P I 3.8663 8.2916 127.3528 59.7579 38.7870 175.0084 94P P 4.5216 0.0000 0.0000 63.3712 30.2755 174.9704 95P E 3.3265 7.8965 121.9934 58.0948 32.9431 174.4960 *96P W 4.9038 8.1280 123.3302 56.4376 31.9595 169.9220 97P E 4.6933 8.7785 109.5177 56.8981 32.6788 171.6515 98P G 3.9746 8.8396 106.8595 44.5845 0.0000 173.8320 99P R 4.1422 8.1250 113.7445 56.2539 29.8097 176.3745 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 1P L 8.28 4.01 0.00 1.60 1.61 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *2P Y 8.46 3.29 0.00 2.63 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 0.00 0.00 0.00 0.00 3P P 0.00 4.62 0.00 1.93 1.87 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 4P E 8.68 3.94 0.00 1.94 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 2.30 2.36 0.00 5P E 8.99 4.22 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 6P I 7.70 3.91 1.87 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 1.30 1.13 0.90 0.00 0.00 7P L 7.88 4.37 0.00 1.94 2.13 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8P D 7.81 4.47 0.00 2.93 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 9P T 8.02 4.00 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 1.26 0.00 0.00 10P H 8.22 4.44 0.00 3.84 3.81 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11P W 8.86 3.39 0.00 2.82 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 12P E 8.28 3.80 0.00 2.39 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 2.35 2.38 0.00 13P L 7.82 3.94 0.00 2.13 1.89 0.99 0.77 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 14P W 8.73 4.18 0.00 3.51 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 15P K 8.18 3.51 0.00 1.70 1.63 0.00 1.89 0.00 0.00 1.61 0.00 0.00 2.62 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.02 0.26 7.81 16P K 7.95 3.84 0.00 1.76 1.82 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 17P T 7.99 4.06 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 1.05 0.00 0.00 18P H 7.38 4.48 0.00 2.19 2.83 0.00 6.00 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19P R 7.61 3.65 0.00 1.94 1.82 0.00 3.26 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 20P K 7.70 3.98 0.00 1.40 1.47 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.05 0.45 7.81 21P Q 7.75 4.54 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.16 1.92 0.00 22P Y 8.15 4.89 0.00 3.01 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 23P N 8.37 4.42 0.00 2.81 2.86 0.00 0.00 6.97 7.88 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 24P N 7.74 4.86 0.00 2.87 2.76 0.00 0.00 6.94 7.02 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 25P K 8.39 4.10 0.00 1.80 1.84 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.51 7.81 26P V 7.68 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 1.02 0.00 0.00 0.93 0.00 0.00 27P D 8.14 4.35 0.00 2.89 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 28P E 8.07 3.23 0.00 2.16 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 0.00 2.16 2.19 0.00 29P I 7.87 3.34 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.72 0.78 0.00 0.00 30P S 7.96 4.01 0.00 3.94 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 31P R 7.66 4.02 0.00 1.79 2.17 0.00 3.93 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.21 0.00 32P R 7.62 2.51 0.00 0.67 1.44 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.23 0.00 33P L 7.80 3.98 0.00 1.81 1.63 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34P I 7.23 3.76 2.08 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 1.42 0.88 0.96 0.00 0.00 35P W 8.29 4.69 0.00 3.28 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36P E 8.43 3.70 0.00 2.06 1.94 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 2.43 2.76 0.00 37P K 7.84 3.95 0.00 1.93 1.94 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 38P N 8.34 4.30 0.00 2.85 2.81 0.00 0.00 6.64 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 39P L 7.79 3.72 0.00 1.26 1.47 0.42 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 40P K 7.76 3.84 0.00 1.80 1.99 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.41 7.81 41P Y 7.71 4.03 0.00 3.09 3.12 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 42P I 8.26 3.59 1.99 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 1.59 0.86 0.88 0.00 0.00 43P S 8.28 4.08 0.00 3.77 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 0.00 44P I 7.96 3.83 1.83 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 1.35 1.19 0.83 0.00 0.00 45P H 7.83 4.15 0.00 2.64 3.21 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 46P N 8.21 4.33 0.00 2.81 2.81 0.00 0.00 6.71 6.33 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 47P L 7.34 3.83 0.00 1.88 1.72 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48P E 7.91 3.84 0.00 2.02 1.73 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 2.22 2.41 0.00 49P A 7.80 4.01 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 50P S 7.79 4.15 0.00 4.02 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 51P L 7.46 4.39 0.00 1.72 1.67 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52P G 7.71 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 0.00 0.00 0.00 53P V 7.99 3.81 1.73 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 0.52 0.00 0.00 0.86 0.00 0.00 54P H 7.56 5.02 0.00 2.83 2.49 0.00 5.74 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55P T 8.71 4.52 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 1.27 0.00 0.00 56P Y 7.15 4.88 0.00 3.13 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 57P E 8.60 4.81 0.00 1.96 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 2.16 2.29 0.00 58P L 8.82 4.76 0.00 1.62 1.57 0.84 0.35 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 59P A 7.89 4.63 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 60P M 8.63 4.28 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.80 0.00 61P N 8.53 5.38 0.00 2.89 2.96 0.00 0.00 6.01 7.90 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 62P H 8.74 4.23 0.00 3.26 3.54 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63P L 8.32 4.67 0.00 1.92 1.80 0.95 0.86 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 64P G 8.80 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 0.00 0.00 0.00 65P D 8.64 5.25 0.00 3.16 3.12 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 66P M 7.91 4.92 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 67P T 8.18 4.34 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 68P S 8.69 4.09 0.00 3.85 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 69P E 8.24 3.98 0.00 2.01 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 2.32 1.99 0.00 70P E 7.90 4.21 0.00 2.20 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 2.36 2.35 0.00 71P V 7.79 3.56 2.29 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 0.95 0.00 0.00 0.98 0.00 0.00 72P V 7.97 3.74 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 0.89 0.00 0.00 1.01 0.00 0.00 73P Q 8.38 4.10 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 74P K 8.75 4.29 0.00 1.70 1.89 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.62 7.81 75P M 8.35 4.89 0.00 1.94 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 76P T 8.22 4.21 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 1.24 0.00 0.00 77P G 9.47 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 0.00 0.00 0.00 78P L 7.78 4.21 0.00 1.62 1.58 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79P K 8.28 4.41 0.00 1.68 1.67 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.48 7.81 80P V 8.23 3.76 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 0.78 0.00 0.00 0.93 0.00 0.00 81P P 0.00 4.25 0.00 2.21 2.31 0.00 3.75 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 2.07 1.95 0.00 82P L 9.26 4.06 0.00 1.82 1.90 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 83P S 7.84 4.54 0.00 3.97 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 *84P H 8.38 4.29 0.00 2.96 2.89 0.00 7.25 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85P S 8.91 4.42 0.00 3.82 3.85 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 86P R 8.43 4.59 0.00 1.77 1.73 0.00 3.22 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 87P S 8.02 4.40 0.00 3.71 4.11 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 88P N 8.05 4.94 0.00 2.79 2.88 0.00 0.00 5.62 8.06 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 89P D 8.55 4.46 0.00 2.57 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 90P T 8.77 3.47 4.24 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 1.21 0.00 0.00 91P L 7.68 4.10 0.00 1.71 1.55 0.92 0.74 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 *92P Y 7.73 5.11 0.00 2.35 2.16 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 93P I 8.29 3.87 1.87 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 1.47 1.22 0.91 0.00 0.00 94P P 0.00 4.52 0.00 2.20 2.05 0.00 3.85 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 1.90 1.92 0.00 95P E 7.90 3.33 0.00 2.18 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 0.00 2.22 2.30 0.00 *96P W 8.13 4.90 0.00 2.48 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97P E 8.78 4.69 0.00 1.93 1.69 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 2.11 1.83 0.00 98P G 8.84 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 99P R 8.12 4.14 0.00 1.93 1.92 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.