NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.2875 8.3244 119.3948 56.8405 39.6918 173.8569 11 L 4.0212 8.4897 127.1546 55.8842 42.6620 176.2319 12 N 4.5534 8.6967 119.5699 52.6409 41.2468 175.7103 13 K 4.2141 8.2753 121.3288 59.0674 32.4489 178.4660 14 A 4.1274 7.6902 120.6075 55.1018 18.5366 178.5398 15 F 4.1408 8.0381 116.8307 59.7338 38.9479 176.7696 16 E 4.2066 9.2119 118.9696 59.8306 29.5291 179.6890 17 V 3.5723 7.6617 117.4552 66.2233 31.7264 177.8758 18 A 4.0607 8.0683 120.1641 55.0735 18.0591 179.6123 19 L 4.0430 8.2002 117.5800 58.1493 41.8829 179.9563 20 K 4.2754 8.8368 118.8329 59.4569 31.8216 179.7329 21 V 3.7071 8.2383 118.8688 65.7067 31.3208 178.3119 22 Q 4.0056 8.1023 117.8599 58.8594 28.7067 178.1529 23 I 3.3757 7.3685 120.4913 64.6373 37.0851 178.3802 24 I 3.5689 7.4562 119.4977 64.3655 36.8979 178.3655 25 A 4.1326 7.7433 121.5300 55.0803 18.1811 179.7463 26 G 4.0479 8.2958 105.8560 47.5248 0.0000 175.4924 27 F 4.3675 8.3511 121.1204 60.5782 39.0167 177.8969 28 D 4.3905 8.6406 118.3030 57.3179 40.5526 178.9611 29 R 4.0939 8.3637 118.8088 59.2366 30.1418 179.2394 30 G 3.7091 8.3450 105.3956 47.9182 0.0000 175.3931 31 L 4.0971 8.3219 123.7393 57.5727 41.9693 179.0385 32 V 3.8240 7.9969 118.3122 65.9822 31.5790 177.7946 33 K 3.9301 8.3200 119.3080 59.4278 31.9920 178.5126 34 W 4.1925 8.8506 128.8752 60.5409 30.6089 177.9934 35 L 3.8938 9.2312 120.2545 57.4993 40.7839 179.1198 36 R 3.8245 8.1952 118.4943 59.6296 29.9719 178.3770 37 V 3.6482 7.1225 115.7263 65.1477 32.1379 176.6717 38 H 4.7013 7.7938 114.4735 55.2123 29.5185 174.1031 39 G 3.8067 8.2252 107.4962 45.4783 0.0000 176.0141 40 R 3.8374 7.9518 120.6028 59.5224 29.9413 177.8227 41 T 4.4942 7.6781 104.8239 61.4257 69.2755 173.6945 42 L 4.8681 7.3123 122.6800 53.6173 43.4316 177.5278 43 S 4.4342 8.8675 119.2688 58.0014 65.1057 175.6487 44 T 3.7953 8.2704 117.8918 67.0364 68.1508 177.3683 45 V 3.2449 7.6968 113.6002 64.0584 31.5198 178.5170 46 Q 3.9925 7.6583 116.5667 59.0285 28.6478 178.9768 47 K 4.0194 7.9392 119.2413 59.5564 32.1044 179.6153 48 K 4.0435 8.1845 118.5262 59.1111 31.6841 179.2249 49 A 4.2824 7.9136 121.2915 55.4063 18.3633 179.7032 50 L 3.8953 8.0983 117.4286 58.1366 41.4813 179.4221 51 Y 3.9883 8.2858 116.8025 60.8497 37.7649 178.3237 52 F 4.4594 8.5967 123.1331 60.6976 39.5463 177.0558 53 V 3.3609 8.2085 118.2286 66.1852 31.2022 177.4012 54 N 4.3017 8.0754 115.8856 56.8668 38.1655 177.6267 55 R 4.0290 7.7342 118.7972 59.2253 30.1703 179.0770 56 R 4.0110 8.1384 118.5962 58.8735 29.7659 177.9141 57 Y 3.7385 8.4851 120.2152 60.6569 38.9246 177.3123 58 M 4.5629 8.3451 118.8432 59.2069 32.1575 178.2942 59 Q 4.1431 7.7354 116.7732 58.8833 28.9714 178.2005 60 T 4.1445 7.6929 108.7827 62.9883 69.4337 174.9432 61 H 4.5927 7.4365 118.8840 54.8044 29.8536 175.5144 62 W 4.0095 7.7397 130.4563 60.4892 30.7073 177.1129 63 A 4.1281 8.1445 120.1725 55.3987 17.9100 178.8956 64 N 4.1434 7.9673 113.7032 56.9494 38.6671 176.8125 65 Y 4.4963 7.4344 117.1635 61.6808 37.8169 178.8762 66 M 4.0846 7.9634 119.4007 58.1689 31.8698 178.8803 67 L 4.0151 7.7978 118.7432 57.7478 41.8554 179.4108 68 W 4.1352 8.3035 127.7137 60.3331 30.6386 177.9575 69 I 3.4388 8.0996 120.0234 64.3911 36.5994 177.9684 70 N 4.2560 8.4348 117.4912 56.6040 38.3119 176.6764 71 K 3.8279 7.6829 120.0028 60.5425 31.9248 178.5186 72 K 3.7193 7.4060 119.1346 58.8362 32.0330 179.3456 73 I 3.6432 7.1012 120.0068 63.9365 37.1307 177.3903 74 D 4.5731 8.7203 118.9208 54.7541 42.3203 177.2862 75 A 4.4704 7.5401 124.2493 49.4997 17.4739 174.5856 76 L 4.6259 6.9032 120.9142 53.4289 49.8100 176.7135 77 G 4.2721 7.6778 106.5918 45.7217 0.0000 175.5726 78 R 4.3347 8.4695 122.8821 54.3896 31.6321 174.5532 79 T 3.8303 8.3022 116.6116 63.6501 68.7429 172.3788 80 P 4.6798 0.0000 0.0000 61.7150 33.1153 175.1121 81 V 4.5866 8.3564 118.6177 59.4016 33.9187 177.0401 82 V 3.9844 8.7885 120.6895 65.4718 30.3285 178.5298 83 G 3.6949 8.2504 105.4586 47.6269 0.0000 175.2694 84 D 4.2448 8.3357 121.3147 57.4401 40.8940 178.1214 85 Y 3.8972 7.7615 116.5030 61.6337 37.8342 178.6197 86 T 3.9530 8.2161 116.4829 67.0819 68.5363 176.3743 87 R 3.9450 7.7880 119.6633 59.8672 30.1101 177.5202 88 L 4.0905 8.3652 118.4955 58.2150 41.4804 179.3342 89 G 3.7737 8.7816 105.3402 48.3894 0.0000 175.1588 90 A 3.9765 7.5865 121.7474 54.7273 18.5875 179.1651 91 E 3.9841 8.5794 118.3149 59.5422 29.9719 178.7141 92 I 3.2927 7.8804 120.2949 64.5009 37.2503 178.3239 93 G 3.6666 8.5669 105.2219 46.4581 0.0000 174.7603 94 R 4.3089 8.1923 120.0217 57.6310 30.9066 178.0607 95 R 4.1492 7.3934 116.8909 57.8327 30.3587 177.1869 96 I 3.5594 7.3426 119.7987 61.2699 36.9181 175.4588 97 D 4.5196 8.2795 126.3738 52.1160 39.0858 176.8789 98 M 3.2695 7.7696 124.5619 56.3839 31.9303 177.9236 99 A 3.4434 7.4562 121.3643 55.0416 18.3689 178.9074 100 Y 3.9786 7.2838 117.7069 60.6940 38.9138 177.7734 101 F 3.4300 7.7968 120.9660 61.4278 39.4907 176.2339 102 Y 3.9909 7.4262 116.5446 61.2854 37.4531 178.7973 103 D 4.4814 8.0962 119.8379 57.1523 40.8745 178.3740 104 F 3.6681 8.0798 121.5519 61.3084 39.2084 177.0517 105 L 3.8950 7.7756 118.3579 57.6260 41.3806 179.5030 106 K 4.0449 7.9771 119.3440 59.8239 32.0162 178.6061 107 D 4.3122 8.3429 117.9027 56.9757 40.7971 178.1470 108 K 4.0229 7.8581 116.2829 55.5640 32.6511 176.2870 109 N 4.2883 8.1016 115.8448 54.9968 36.3966 174.0290 110 M 4.8608 8.6866 114.1829 54.7235 33.5507 176.3977 111 I 3.7862 8.1239 120.0033 60.8492 37.6201 174.6944 112 P 4.4541 0.0000 0.0000 61.9862 31.8209 175.9637 113 K 3.6761 8.6939 120.4292 57.3441 32.4387 175.5241 114 Y 4.4157 8.7392 127.3401 57.1587 38.7061 173.9687 115 L 4.9051 7.5593 126.5110 51.6391 45.3954 175.6824 116 P 4.0044 0.0000 0.0000 66.3707 31.0868 178.3266 117 Y 4.1146 7.8386 117.3378 60.6153 38.6726 178.0132 118 M 3.2023 7.6691 120.0744 57.9130 31.7800 178.0695 119 E 4.5085 7.3433 118.8197 59.3462 29.9890 177.4453 120 E 3.7190 8.0121 118.2308 60.0823 29.1954 178.6099 121 I 3.5999 7.9179 119.5421 64.6714 37.3192 178.3758 122 N 4.5742 8.6831 117.6636 56.3314 38.2144 177.5404 123 R 4.1657 8.1099 118.4155 57.8003 30.3576 176.9240 124 M 4.3638 6.8442 118.2048 54.6624 32.7120 175.7539 125 R 4.3134 8.1133 117.9692 54.9279 31.2337 176.2919 126 P 4.1035 0.0000 0.0000 65.8064 31.6086 178.1289 127 A 4.0262 8.1532 119.5310 54.8563 18.1865 177.6604 128 D 4.6355 8.8508 113.8513 54.1618 41.8765 177.0057 129 V 3.5293 7.2460 119.7698 62.2903 31.6537 174.0468 130 P 4.3152 0.0000 0.0000 62.9361 31.8632 175.4074 131 V 4.0358 7.3084 111.6012 60.0382 35.5659 174.9946 132 K 3.8987 7.3093 119.5516 55.2282 35.1377 175.9037 133 Y 4.1731 7.6224 122.6919 58.3531 38.0610 176.0274 134 M 3.5362 8.4884 127.6567 56.8251 32.5446 176.8531 *135 G 3.7274 8.1267 113.9297 45.9098 0.0000 173.4300 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 10 F 8.32 4.29 0.00 2.05 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 0.00 0.00 0.00 11 L 8.49 4.02 0.00 1.90 1.88 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.70 4.55 0.00 1.74 2.05 0.00 0.00 6.44 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 13 K 8.28 4.21 0.00 1.85 1.74 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 14 A 7.69 4.13 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 15 F 8.04 4.14 0.00 2.97 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 0.00 0.00 0.00 16 E 9.21 4.21 0.00 2.27 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 2.39 2.53 0.00 17 V 7.66 3.57 2.44 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 1.09 0.00 0.00 1.07 0.00 0.00 18 A 8.07 4.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.20 4.04 0.00 2.21 2.16 1.15 0.75 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 20 K 8.84 4.28 0.00 1.86 1.94 0.00 1.29 0.00 0.00 1.41 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.86 7.81 21 V 8.24 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 1.06 0.00 0.00 1.01 0.00 0.00 22 Q 8.10 4.01 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.85 0.00 23 I 7.37 3.38 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.23 0.00 0.00 24 I 7.46 3.57 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 0.99 0.00 0.00 25 A 7.74 4.13 1.43 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 0.00 0.00 26 G 8.30 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 27 F 8.35 4.37 0.00 3.23 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 28 D 8.64 4.39 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 29 R 8.36 4.09 0.00 2.19 2.05 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 30 G 8.34 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 31 L 8.32 4.10 0.00 1.39 1.46 -0.07 -0.13 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 32 V 8.00 3.82 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 0.97 0.00 0.00 1.09 0.00 0.00 33 K 8.32 3.93 0.00 2.16 2.05 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 34 W 8.85 4.19 0.00 3.60 3.47 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 35 L 9.23 3.89 0.00 1.85 1.73 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.20 3.82 0.00 1.74 2.20 0.00 3.49 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 37 V 7.12 3.65 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.90 0.00 0.00 38 H 7.79 4.70 0.00 2.39 2.93 0.00 5.89 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 39 G 8.23 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 40 R 7.95 3.84 0.00 1.70 1.93 0.00 3.36 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 41 T 7.68 4.49 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 1.19 0.00 0.00 42 L 7.31 4.87 0.00 1.78 1.66 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.87 4.43 0.00 4.05 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 44 T 8.27 3.80 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 1.15 0.00 0.00 45 V 7.70 3.24 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 0.87 0.00 0.00 0.94 0.00 0.00 46 Q 7.66 3.99 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 47 K 7.94 4.02 0.00 1.87 1.99 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.75 7.81 48 K 8.18 4.04 0.00 0.95 1.37 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.35 7.81 49 A 7.91 4.28 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 3.90 0.00 1.79 1.25 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.29 3.99 0.00 3.23 3.07 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 52 F 8.60 4.46 0.00 3.30 3.48 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 53 V 8.21 3.36 2.31 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 0.67 0.00 0.00 1.19 0.00 0.00 54 N 8.08 4.30 0.00 3.15 3.18 0.00 0.00 7.10 7.82 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 55 R 7.73 4.03 0.00 1.92 1.96 0.00 3.36 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 56 R 8.14 4.01 0.00 1.37 1.31 0.00 3.21 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 57 Y 8.49 3.74 0.00 2.92 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 58 M 8.35 4.56 0.00 2.45 2.28 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.27 3.06 0.00 59 Q 7.74 4.14 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 60 T 7.69 4.14 3.93 0.00 0.00 0.00 0.00 0.00 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 61 H 7.44 4.59 0.00 2.55 2.74 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 W 7.74 4.01 0.00 3.53 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 4.13 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 64 N 7.97 4.14 0.00 2.69 2.91 0.00 0.00 6.96 7.48 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 65 Y 7.43 4.50 0.00 2.71 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 66 M 7.96 4.08 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.58 0.00 67 L 7.80 4.02 0.00 1.98 1.79 0.96 0.64 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 68 W 8.30 4.14 0.00 3.41 3.24 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 69 I 8.10 3.44 2.03 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.71 0.97 0.00 0.00 70 N 8.43 4.26 0.00 2.72 2.88 0.00 0.00 6.71 8.37 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 71 K 7.68 3.83 0.00 1.89 1.59 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.59 7.81 72 K 7.41 3.72 0.00 0.99 1.41 0.00 1.02 0.00 0.00 0.71 0.00 0.00 2.93 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.68 1.15 7.81 73 I 7.10 3.64 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 1.23 0.56 0.82 0.00 0.00 74 D 8.72 4.57 0.00 2.49 2.67 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 0.00 75 A 7.54 4.47 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 76 L 6.90 4.63 0.00 1.49 1.57 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.68 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 0.00 0.00 0.00 0.00 78 R 8.47 4.33 0.00 1.75 1.83 0.00 3.33 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 79 T 8.30 3.83 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 1.30 0.00 0.00 80 P 0.00 4.68 0.00 1.77 1.80 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 81 V 8.36 4.59 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 1.01 0.00 0.00 1.02 0.00 0.00 82 V 8.79 3.98 2.32 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 0.89 0.00 0.00 1.07 0.00 0.00 83 G 8.25 3.69 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 0.00 0.00 0.00 84 D 8.34 4.24 0.00 2.47 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 0.00 0.00 0.00 85 Y 7.76 3.90 0.00 3.08 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 86 T 8.22 3.95 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 1.24 0.00 0.00 87 R 7.79 3.94 0.00 1.93 2.04 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 88 L 8.37 4.09 0.00 2.03 1.70 0.71 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.78 3.77 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 0.00 0.00 0.00 90 A 7.59 3.98 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 91 E 8.58 3.98 0.00 2.38 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 2.37 2.64 0.00 92 I 7.88 3.29 1.71 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.77 0.15 0.00 0.00 93 G 8.57 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 0.00 0.00 0.00 0.00 94 R 8.19 4.31 0.00 2.03 2.12 0.00 3.26 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 95 R 7.39 4.15 0.00 1.63 1.78 0.00 3.23 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.34 0.00 96 I 7.34 3.56 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.97 0.50 0.00 0.00 97 D 8.28 4.52 0.00 2.72 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 98 M 7.77 3.27 0.00 0.83 1.19 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 99 A 7.46 3.44 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 0.00 100 Y 7.28 3.98 0.00 2.82 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 0.00 101 F 7.80 3.43 0.00 2.76 2.68 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 0.00 102 Y 7.43 3.99 0.00 1.50 1.43 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 0.00 103 D 8.10 4.48 0.00 2.87 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 F 8.08 3.67 0.00 2.44 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.78 3.90 0.00 1.70 1.79 1.20 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.98 4.04 0.00 2.12 2.09 0.00 2.06 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.58 7.81 107 D 8.34 4.31 0.00 2.47 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 4.02 0.00 1.56 1.68 0.00 1.64 0.00 0.00 1.38 0.00 0.00 2.65 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.59 0.93 7.81 109 N 8.10 4.29 0.00 2.84 2.89 0.00 0.00 6.70 7.18 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 0.00 110 M 8.69 4.86 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.79 0.00 111 I 8.12 3.79 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.50 0.98 0.00 0.00 112 P 0.00 4.45 0.00 2.33 2.21 0.00 3.95 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 113 K 8.69 3.68 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.54 7.81 114 Y 8.74 4.42 0.00 3.03 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 0.00 115 L 7.56 4.91 0.00 1.54 1.40 0.89 1.03 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 0.00 116 P 0.00 4.00 0.00 2.10 2.07 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 117 Y 7.84 4.11 0.00 2.95 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 0.00 118 M 7.67 3.20 0.00 1.58 1.52 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.00 119 E 7.34 4.51 0.00 1.68 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 2.29 0.00 120 E 8.01 3.72 0.00 2.12 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 2.25 2.34 0.00 121 I 7.92 3.60 1.79 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 0.52 0.67 0.99 0.00 0.00 122 N 8.68 4.57 0.00 3.02 2.93 0.00 0.00 6.93 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 0.00 123 R 8.11 4.17 0.00 1.91 1.98 0.00 3.15 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 124 M 6.84 4.36 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.48 0.00 125 R 8.11 4.31 0.00 1.99 1.85 0.00 3.16 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 126 P 0.00 4.10 0.00 2.19 2.16 0.00 3.63 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 2.15 2.16 0.00 127 A 8.15 4.03 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 0.00 128 D 8.85 4.64 0.00 2.48 2.70 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 0.00 129 V 7.25 3.53 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 0.73 0.00 0.00 0.99 0.00 0.00 130 P 0.00 4.32 0.00 2.13 1.97 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 131 V 7.31 4.04 0.67 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 -0.48 0.00 0.00 -0.02 0.00 0.00 132 K 7.31 3.90 0.00 1.48 1.51 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.28 7.81 133 Y 7.62 4.17 0.00 1.43 1.93 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.49 3.54 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 *135 G 8.13 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.