NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 P 4.6542 0.0000 0.0000 62.2745 33.6627 174.9516 20 K 4.6525 10.3074 125.6439 54.9744 33.5309 170.5795 21 V 4.7336 8.9986 125.4052 60.9306 34.9312 173.3979 22 L 4.9392 8.8037 130.3274 53.6386 44.0662 174.8288 23 I 4.7991 8.8981 128.1816 59.7023 39.4583 174.6784 24 V 4.8076 8.5021 128.5070 61.2213 33.1625 174.1871 25 E 4.7074 8.6709 126.1017 55.5360 32.9900 176.1149 26 N 4.5943 8.9631 123.9431 55.6208 38.9905 175.4958 27 S 4.3585 8.2633 113.8642 57.0380 62.7230 173.7198 28 W 4.4079 9.0167 126.1984 59.8596 28.3181 178.5748 29 T 3.3040 6.5408 105.8551 61.7815 67.7742 175.7374 *31 R 4.1968 8.1311 123.6311 57.1585 31.9334 177.3024 32 E 4.0300 8.5295 117.5544 59.7059 29.3965 179.4412 33 T 3.8303 7.8788 115.6270 66.7385 68.5636 176.6966 34 L 3.9742 7.7995 120.2856 57.5640 41.4581 179.2437 35 R 3.8793 7.7410 117.6722 59.6546 30.2431 178.2968 36 L 4.3502 8.0160 120.0211 57.3195 41.3867 179.5832 37 L 4.0608 7.8598 118.0543 57.2997 41.7962 178.6789 38 L 4.5519 8.0219 117.0836 55.5668 41.8563 178.7433 39 S 4.5246 7.3426 117.4690 60.7017 62.4474 176.6464 40 G 3.6467 8.1350 107.5741 46.7370 0.0000 173.8776 41 E 4.4538 8.0887 116.4566 55.3293 31.6936 175.5138 42 F 5.0048 8.3192 117.7288 55.6094 43.4241 174.0981 43 D 4.8844 9.1577 123.0234 53.5506 41.0489 174.2797 44 C 5.1446 8.4918 122.5142 58.9554 29.7236 173.1997 45 T 4.7774 9.2489 119.9184 62.1706 71.4984 173.2365 46 T 5.2299 8.3333 116.8780 60.5429 70.8995 172.8245 47 A 4.7992 9.2794 128.7504 50.1599 22.2927 177.2620 48 A 4.1569 9.1175 123.8829 54.1706 19.0942 176.7410 49 D 4.7753 7.6859 114.4196 51.0062 43.5742 176.3642 50 G 3.6338 8.6605 105.7201 47.9109 0.0000 175.4515 51 A 4.0076 8.0671 122.8383 55.0834 18.4205 179.5622 52 S 4.4620 8.4186 113.4460 60.9296 62.4849 176.5861 53 G 3.6535 8.3133 108.5933 47.6544 0.0000 175.4381 54 L 4.1437 8.3729 123.1694 57.9595 41.7072 179.0331 55 Q 3.9772 7.9700 117.5416 59.2140 28.6398 178.9920 56 Q 4.0249 8.1628 118.6998 58.8150 28.6451 178.6473 57 A 4.1378 8.5768 122.1325 55.3305 18.2475 179.6967 58 L 3.8391 7.8236 116.0021 57.7954 41.6968 179.3808 59 A 4.3347 7.6214 119.5360 54.1971 18.9161 177.4038 60 H 4.6028 8.2397 115.0622 53.3811 30.5871 170.6566 61 P 4.5571 0.0000 0.0000 61.2793 31.5857 175.2750 62 P 4.6937 0.0000 0.0000 62.2518 32.5207 175.6427 63 D 4.7972 8.6880 118.3824 56.4426 41.5798 177.7203 64 V 4.6235 7.5699 116.4070 60.3795 34.7840 172.4729 65 L 5.0515 8.5939 125.6553 53.4193 44.6944 174.8404 66 I 4.8995 8.8639 126.4957 59.5945 40.0286 174.5575 67 S 5.2097 8.9961 121.0475 55.5870 66.1196 172.8214 68 D 5.1702 8.4097 124.7081 53.8879 41.9635 175.2886 69 V 3.5083 8.0795 120.4656 64.5676 32.3075 175.0364 70 N 4.7260 7.7789 118.1258 52.8663 39.6071 174.6098 *72 D 4.6390 8.7553 121.9684 53.8163 42.7694 176.2594 73 G 3.8645 7.9183 103.6316 45.6381 0.0000 172.7540 *75 D 4.5746 7.7102 119.8594 52.6277 41.7430 176.2653 76 G 3.2331 8.4817 106.8969 48.3878 0.0000 175.6305 77 Y 4.2525 8.2125 118.5247 60.4955 37.8279 178.3718 78 A 4.0797 9.2470 122.3250 54.9437 18.5342 179.3867 79 L 4.0058 8.0809 118.8793 58.6298 42.2127 178.7731 80 C 4.1935 8.6494 119.1446 62.3408 31.5235 175.6958 81 G 3.7114 8.5666 107.8416 48.1779 0.0000 175.3975 82 H 4.2866 8.5527 118.9032 58.5860 28.5030 177.8273 83 F 3.9860 8.6701 119.5817 60.8721 38.6018 178.0839 84 R 4.1476 8.2032 116.4074 59.0239 29.8763 178.8745 85 S 4.5111 7.8516 113.2167 59.5763 63.5048 174.1901 86 E 4.2601 8.0940 123.4933 54.4536 29.1712 175.4082 87 P 4.2978 0.0000 0.0000 65.7368 31.1175 177.3318 88 T 4.2554 7.7406 113.3701 64.2923 69.0056 174.9305 89 L 4.6399 8.2859 119.9219 53.9143 43.8496 178.4383 90 K 4.0601 8.7006 117.3570 59.0747 32.0168 177.5610 91 H 4.4275 8.3096 112.3028 57.7018 29.0263 175.5856 92 I 3.8406 7.4351 122.4941 60.5737 37.3568 174.5335 93 P 4.6080 0.0000 0.0000 62.9647 32.7665 175.2445 94 V 4.7263 10.0482 123.0215 61.1252 34.5817 174.0371 95 I 4.8183 8.9563 128.1041 59.5917 40.0568 174.4697 96 F 5.3326 8.8739 125.9124 56.0509 41.3836 175.1160 97 V 4.6981 8.4573 122.2892 61.2497 34.5311 174.3024 98 S 4.7517 8.7044 121.3629 57.1871 66.0907 174.6931 99 G 3.7148 8.7301 110.4112 46.6252 0.0000 173.4519 100 Y 4.7692 7.4826 116.7038 55.8375 40.8131 177.2881 101 A 4.2777 8.3000 126.4495 51.3113 19.8697 174.6678 *107 P 4.1155 0.0000 0.0000 62.4541 32.6093 177.3071 108 A 4.0112 8.8356 126.6738 55.2912 18.3719 177.9384 109 D 4.5684 8.0010 112.2747 54.4797 40.1028 176.2034 110 Q 4.5777 7.5504 119.6948 53.7255 30.2954 173.8213 111 P 4.5751 0.0000 0.0000 62.9327 32.2195 176.0805 112 V 4.6041 7.8129 112.1653 58.8873 35.5785 173.6947 113 P 4.0825 0.0000 0.0000 62.4952 31.9070 176.0454 114 D 4.6285 8.3771 118.7215 56.4035 41.4774 176.6197 115 A 4.7442 7.5431 118.3683 50.8677 23.0204 174.7226 116 Y 4.9875 8.4642 120.4302 56.3403 41.8190 174.0755 117 L 4.9275 9.2379 127.1225 52.9264 45.1034 175.5971 118 V 4.7140 8.3842 123.2280 61.3292 32.4919 175.8090 119 K 4.3837 9.0509 128.3978 55.6910 32.8315 175.1307 120 P 4.2921 0.0000 0.0000 62.4497 32.0504 175.9374 121 V 3.8848 8.1383 122.6863 61.4060 32.3820 175.3839 122 K 4.0952 8.5980 127.0740 55.8787 32.4581 175.5181 123 P 4.2251 0.0000 0.0000 65.5675 31.2674 176.5811 124 P 4.2906 0.0000 0.0000 65.6485 31.1337 178.8310 125 V 3.5754 7.8751 117.0002 65.8145 31.3891 177.7263 126 L 3.9034 7.9001 119.5934 58.1984 41.9203 178.7096 127 I 3.6982 7.8815 119.3332 64.4193 37.1250 177.9677 128 A 4.0922 7.9787 121.3733 55.5315 18.1507 179.5622 129 Q 3.9505 8.4303 116.6571 59.1062 28.7111 179.0906 130 L 3.8483 8.0265 119.9715 58.3234 41.6028 179.4053 131 H 4.3010 8.3897 115.5890 58.7744 28.6923 177.6871 132 A 4.0283 8.5328 122.9392 55.3875 18.1828 179.7599 133 L 3.9846 8.3244 117.8111 57.9425 41.6577 179.8199 134 L 4.0267 8.3045 118.9658 57.3826 41.2686 179.4448 135 A 4.0133 8.1043 120.8509 55.0088 18.4204 179.3671 136 R 3.9628 7.7726 115.8139 59.6243 30.3137 178.2787 137 A 4.1357 8.0583 119.4837 54.9809 18.3973 177.4246 138 E 4.2050 8.0024 121.4932 56.6681 29.8973 176.2632 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 19 P 0.00 4.65 0.00 2.50 2.21 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 2.02 2.17 0.00 20 K 10.31 4.65 0.00 1.76 1.78 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.62 7.81 21 V 9.00 4.73 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 0.79 0.00 0.00 0.67 0.00 0.00 22 L 8.80 4.94 0.00 1.86 1.56 0.97 0.90 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 23 I 8.90 4.80 1.85 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 1.05 0.43 0.87 0.00 0.00 24 V 8.50 4.81 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 0.92 0.00 0.00 0.91 0.00 0.00 25 E 8.67 4.71 0.00 2.04 1.68 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 2.12 2.46 0.00 26 N 8.96 4.59 0.00 2.74 2.88 0.00 0.00 7.24 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 27 S 8.26 4.36 0.00 3.78 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 28 W 9.02 4.41 0.00 3.57 3.29 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 29 T 6.54 3.30 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 *31 R 8.13 4.20 0.00 2.13 2.22 0.00 3.25 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 32 E 8.53 4.03 0.00 2.32 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 2.59 2.76 0.00 33 T 7.88 3.83 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 1.17 0.00 0.00 34 L 7.80 3.97 0.00 1.65 1.67 0.86 0.77 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 35 R 7.74 3.88 0.00 1.92 2.17 0.00 3.29 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 36 L 8.02 4.35 0.00 1.74 1.72 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.86 4.06 0.00 1.85 1.75 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.02 4.55 0.00 1.76 1.85 0.78 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.34 4.52 0.00 3.95 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 40 G 8.13 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 41 E 8.09 4.45 0.00 1.17 1.36 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 2.07 2.22 0.00 42 F 8.32 5.00 0.00 3.06 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 43 D 9.16 4.88 0.00 2.83 2.63 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 0.00 0.00 0.00 0.00 44 C 8.49 5.14 0.00 2.93 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 45 T 9.25 4.78 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 1.26 0.00 0.00 46 T 8.33 5.23 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 47 A 9.28 4.80 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 48 A 9.12 4.16 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 49 D 7.69 4.78 0.00 2.91 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 50 G 8.66 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.07 4.01 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 52 S 8.42 4.46 0.00 3.87 4.03 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 0.00 0.00 0.00 53 G 8.31 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 54 L 8.37 4.14 0.00 1.94 1.85 0.93 0.77 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 55 Q 7.97 3.98 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.71 0.00 56 Q 8.16 4.02 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 57 A 8.58 4.14 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.82 3.84 0.00 1.57 1.69 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.62 4.33 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 60 H 8.24 4.60 0.00 3.08 3.23 0.00 5.87 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 61 P 0.00 4.56 0.00 2.06 2.00 0.00 3.73 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 62 P 0.00 4.69 0.00 2.24 2.13 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 63 D 8.69 4.80 0.00 2.77 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 64 V 7.57 4.62 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 0.52 0.00 0.00 0.89 0.00 0.00 65 L 8.59 5.05 0.00 1.71 1.33 0.86 -0.08 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 66 I 8.86 4.90 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.43 0.82 0.00 0.00 67 S 9.00 5.21 0.00 3.66 3.49 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 0.00 68 D 8.41 5.17 0.00 2.77 2.41 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 69 V 8.08 3.51 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 1.06 0.00 0.00 0.37 0.00 0.00 70 N 7.78 4.73 0.00 2.83 2.78 0.00 0.00 6.79 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 *72 D 8.76 4.64 0.00 2.65 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 73 G 7.92 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 0.00 0.00 0.00 *75 D 7.71 4.57 0.00 3.16 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 76 G 8.48 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 0.00 0.00 0.00 77 Y 8.21 4.25 0.00 3.30 3.17 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 78 A 9.25 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.08 4.01 0.00 1.79 1.83 1.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.65 4.19 0.00 3.23 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 81 G 8.57 3.71 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 0.00 0.00 0.00 82 H 8.55 4.29 0.00 3.57 3.46 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 83 F 8.67 3.99 0.00 3.26 3.17 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 84 R 8.20 4.15 0.00 1.85 2.04 0.00 3.37 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.82 0.00 85 S 7.85 4.51 0.00 4.09 4.14 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 86 E 8.09 4.26 0.00 1.92 1.85 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 2.51 2.29 0.00 87 P 0.00 4.30 0.00 2.16 2.21 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 88 T 7.74 4.26 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 1.15 0.00 0.00 89 L 8.29 4.64 0.00 1.44 1.00 0.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.70 4.06 0.00 1.79 1.96 0.00 1.81 0.00 0.00 2.43 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.69 1.70 7.81 91 H 8.31 4.43 0.00 3.30 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.44 3.84 2.14 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.42 1.06 0.00 0.00 93 P 0.00 4.61 0.00 2.08 2.16 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 94 V 10.05 4.73 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 0.84 0.00 0.00 0.75 0.00 0.00 95 I 8.96 4.82 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.85 0.00 0.00 96 F 8.87 5.33 0.00 2.46 2.02 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 97 V 8.46 4.70 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 0.84 0.00 0.00 0.83 0.00 0.00 98 S 8.70 4.75 0.00 3.76 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 99 G 8.73 3.71 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 0.00 0.00 0.00 100 Y 7.48 4.77 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 0.00 101 A 8.30 4.28 1.25 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 0.00 0.00 0.00 *107 P 0.00 4.12 0.00 2.20 2.02 0.00 3.57 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 1.96 2.05 0.00 108 A 8.84 4.01 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 0.00 109 D 8.00 4.57 0.00 2.81 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 Q 7.55 4.58 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 111 P 0.00 4.58 0.00 2.25 2.12 0.00 3.81 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 2.19 2.09 0.00 112 V 7.81 4.60 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 0.87 0.00 0.00 0.92 0.00 0.00 113 P 0.00 4.08 0.00 1.90 0.49 0.00 3.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 114 D 8.38 4.63 0.00 2.64 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 0.00 115 A 7.54 4.74 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 0.00 116 Y 8.46 4.99 0.00 2.95 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 0.00 117 L 9.24 4.93 0.00 1.52 1.52 0.90 0.64 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 0.00 118 V 8.38 4.71 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 0.88 0.00 0.00 1.11 0.00 0.00 119 K 9.05 4.38 0.00 1.55 1.67 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.41 1.45 7.81 120 P 0.00 4.29 0.00 2.14 2.02 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 121 V 8.14 3.88 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 0.80 0.00 0.00 0.89 0.00 0.00 122 K 8.60 4.10 0.00 1.86 1.74 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.46 7.81 123 P 0.00 4.23 0.00 2.15 2.13 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 124 P 0.00 4.29 0.00 2.16 2.13 0.00 3.61 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 2.12 2.16 0.00 125 V 7.88 3.58 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 1.05 0.00 0.00 0.94 0.00 0.00 126 L 7.90 3.90 0.00 1.76 1.80 0.84 0.93 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 0.00 127 I 7.88 3.70 2.11 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 1.79 1.04 1.19 0.00 0.00 128 A 7.98 4.09 1.42 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 0.00 129 Q 8.43 3.95 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 130 L 8.03 3.85 0.00 1.63 1.29 -0.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.39 4.30 0.00 3.42 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.53 4.03 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.32 3.98 0.00 1.79 1.72 0.87 0.49 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 0.00 134 L 8.30 4.03 0.00 1.93 1.80 1.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.10 4.01 1.41 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 0.00 136 R 7.77 3.96 0.00 1.86 2.12 0.00 3.45 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 1.65 1.80 0.00 137 A 8.06 4.14 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 0.00 0.00 0.00 0.00 0.00 138 E 8.00 4.20 0.00 2.19 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 0.00 2.34 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.