NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 4.4899 8.1600 107.8426 46.6420 0.0000 171.8133 10 K 4.9005 8.8302 119.7529 54.0577 36.1838 172.7289 11 L 5.2904 8.9735 129.3044 53.6236 45.1903 174.7319 12 T 5.0409 8.9439 115.9775 60.5302 72.9157 172.0775 13 T 4.7196 7.8511 114.8236 62.1830 70.8670 171.5352 14 H 4.8409 8.2289 117.1166 55.5325 33.3662 172.5581 15 I 4.9971 8.6504 126.7779 59.4551 39.8326 174.3497 16 L 4.8361 8.5947 127.0643 52.8153 44.7090 175.2804 17 D 5.1314 9.0157 124.4865 53.1685 41.5666 176.5047 18 L 4.4255 8.8600 125.9378 56.3340 41.3454 178.6668 19 T 4.2687 9.0832 116.9832 65.6728 68.5472 175.5135 20 C 4.7045 7.8514 113.2095 57.1878 30.9046 174.7194 21 G 4.0033 8.0949 106.0796 46.5709 0.0000 173.7719 22 K 4.6918 7.3640 118.0969 53.6967 35.0875 174.1416 23 P 4.7779 0.0000 0.0000 62.4844 32.4083 176.3672 24 A 4.0817 8.7736 125.7245 51.2874 19.1209 176.3695 25 A 4.7746 8.5561 123.8944 50.9758 20.7800 176.0230 26 N 4.3227 8.6186 117.9710 54.5937 38.3059 174.0172 27 V 4.1363 7.7722 116.4249 61.4150 33.1695 174.9361 28 K 4.0224 8.5557 128.9726 56.1012 33.7815 175.2930 29 I 4.6466 8.5847 127.6231 59.4060 40.0926 174.9095 30 G 4.2063 8.7858 115.4042 45.1716 0.0000 172.6100 31 L 5.2257 8.4308 124.3352 52.9612 45.6093 175.3035 32 K 4.6023 8.7334 123.1276 55.8618 36.3941 175.2853 33 R 4.1307 8.3830 120.3251 54.8519 31.9858 175.8414 34 L 3.8935 8.1757 124.2280 56.8424 42.2360 177.8107 35 G 3.8661 8.9199 113.5208 45.5547 0.0000 172.1319 36 E 4.7137 7.6306 118.9468 54.5383 32.3087 175.3171 37 S 4.5638 8.1318 115.2526 57.3403 64.4051 173.5380 38 I 4.1234 7.8869 122.5601 61.0809 37.6316 175.4002 *40 K 4.1891 8.3725 120.5828 56.8376 33.8365 175.5011 41 E 4.8453 8.4727 120.9813 55.2925 33.1740 174.7182 42 V 4.6167 8.5154 123.7820 61.1491 35.9654 173.6917 43 Y 5.1286 8.4175 120.2855 55.9056 40.7655 175.8298 44 T 4.2360 8.6422 115.6432 62.2288 69.9382 174.4932 45 N 5.0741 9.2068 123.1313 52.9135 38.9238 175.5708 46 N 4.4612 8.7383 113.2545 55.8699 38.9973 175.0793 47 D 4.5665 8.8086 116.7080 53.6001 41.4889 176.2609 48 G 3.9915 8.1170 105.5684 47.3119 0.0000 173.2251 49 R 5.1390 7.9174 117.4880 54.0630 34.1625 174.2612 50 V 4.6815 7.9575 111.0309 59.5957 34.3146 175.6214 51 D 4.5067 9.0254 124.8148 57.1861 40.8253 177.1367 52 V 4.2820 7.3781 116.4415 60.0499 32.0932 173.4835 53 P 4.3057 0.0000 0.0000 62.8771 31.7519 177.1868 54 L 4.1467 8.3790 122.7128 57.4358 42.4583 176.9652 55 L 4.4249 7.1681 116.0398 54.0650 45.2205 173.5271 56 A 5.3205 7.8047 125.6918 52.6742 23.4770 178.7444 57 G 3.7608 8.5338 108.1323 46.8735 0.0000 175.5410 58 E 3.8286 8.9113 120.3706 59.8048 29.7477 178.2245 59 E 4.0725 8.4213 116.5835 59.4505 29.6125 178.1054 60 L 4.0173 7.4599 119.0838 54.7693 42.7345 176.2510 *62 S 4.4687 8.3431 117.4686 57.0261 64.2482 174.4509 63 G 3.7661 7.4955 109.9276 45.6342 0.0000 169.8804 64 E 4.9123 7.7501 118.6947 55.0740 31.8058 175.2092 65 Y 4.7816 8.0430 120.5069 56.3568 42.8444 173.9636 66 V 5.2245 8.2480 118.1852 61.5040 35.7211 173.2577 *68 E 4.2952 8.7204 118.3279 56.4026 30.6665 174.5266 69 F 4.3940 8.8352 124.0354 56.9821 40.1382 175.9082 70 H 4.9740 8.6730 123.7447 54.6514 26.4375 175.8766 71 A 4.0744 8.1525 124.7826 54.9859 18.8543 179.1119 72 G 3.9233 8.4883 104.7246 48.5064 0.0000 175.4225 73 D 4.4072 8.1607 121.2581 56.8944 40.6885 178.0688 74 Y 4.0180 7.4827 118.5359 60.9398 39.2296 178.0568 75 F 4.0266 8.3560 118.5848 60.1087 38.9566 177.3642 76 A 4.0544 8.2793 120.9688 55.4458 17.9706 179.9129 77 S 4.1223 7.9367 111.1591 61.2342 63.0964 175.9040 78 K 4.2933 7.3102 118.6648 56.0587 32.0580 176.6094 79 N 4.6985 8.3131 113.5239 54.0813 40.4226 175.2984 *82 A 4.4388 8.8796 124.1484 52.1743 21.7185 176.7541 83 A 4.5240 7.3886 117.0954 51.6329 21.0468 175.3031 84 D 4.5743 8.9332 112.5687 57.1916 41.4525 176.8232 85 Q 4.5917 7.5735 116.5112 52.6904 28.9991 172.8568 86 P 4.3949 0.0000 0.0000 62.2548 32.5567 176.6193 87 F 4.3935 8.8270 124.3003 61.0560 39.4697 175.0723 88 L 4.3142 7.6363 119.1955 53.4891 42.3558 174.7007 89 T 4.4252 7.8597 112.4891 61.8574 70.9432 173.5857 90 I 4.7741 7.3156 131.1990 58.1241 39.8898 175.0430 91 V 3.5827 8.5850 129.1064 62.9682 32.2003 174.5889 92 T 4.7426 8.4362 123.2615 60.6925 69.2152 174.0003 93 V 4.4723 8.3643 127.3263 61.3603 34.3125 173.9271 94 R 4.9813 8.6592 128.6421 55.5884 31.6376 175.0071 95 F 4.8365 7.7051 116.8771 56.3136 41.7187 172.1358 96 Q 4.9900 8.8831 120.9347 54.3964 31.3648 174.6657 97 L 3.8264 9.3628 127.6670 53.2318 42.2172 177.0795 98 A 4.0818 8.8795 128.0213 54.3843 19.4124 176.3009 99 D 4.6911 8.7229 112.6843 52.9181 42.3061 176.1768 100 P 4.5218 0.0000 0.0000 64.6138 31.7736 177.1326 101 D 4.7292 9.6904 117.4844 53.9687 41.1971 175.8774 102 A 4.5876 7.4446 121.6852 50.9651 21.6009 175.9257 103 H 5.0167 8.3152 116.1036 54.7725 30.4148 174.7372 104 Y 4.5324 9.5288 121.6584 56.5848 40.9937 174.3064 105 H 5.0340 8.8628 125.5932 54.8281 31.7875 172.8795 106 I 5.1806 7.8506 128.1533 58.0678 37.3982 174.0764 107 P 4.6135 0.0000 0.0000 61.6787 33.6260 174.6376 108 L 4.6021 9.3097 123.0360 53.5261 45.0319 174.9749 109 L 4.7401 8.8704 127.4872 53.6333 43.2379 175.5939 110 L 5.2197 9.0992 126.4575 53.4770 45.5008 175.3246 111 S 5.1737 9.1423 120.0454 56.2956 67.2644 173.1790 112 P 3.4497 0.0000 0.0000 65.1170 31.0532 177.4227 113 F 4.9823 8.1268 114.5135 56.1170 40.0581 174.8999 114 G 4.2226 7.8349 109.8502 46.1142 0.0000 172.0654 115 Y 5.2070 7.6129 116.0301 56.0982 40.7537 173.1558 116 Q 4.7183 9.1460 122.2735 54.3436 31.8634 174.2362 117 V 4.9958 8.5578 125.6717 61.3067 33.9623 173.8781 118 Y 4.8833 8.3526 123.4294 55.7952 42.1704 174.2706 119 R 4.3621 8.7411 121.2530 55.3185 29.9726 175.7675 120 G 4.0951 8.0705 118.4406 44.5200 0.0000 172.1543 121 S 4.3427 8.6619 114.1415 58.3783 62.4896 174.7856 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 9 G 8.16 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 0.00 0.00 0.00 0.00 10 K 8.83 4.90 0.00 1.58 1.33 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.45 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.37 7.81 11 L 8.97 5.29 0.00 1.70 1.40 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.94 5.04 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 1.18 0.00 0.00 13 T 7.85 4.72 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 1.25 0.00 0.00 14 H 8.23 4.84 0.00 3.20 3.00 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.65 5.00 1.71 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.62 0.00 0.00 16 L 8.59 4.84 0.00 1.48 1.51 0.89 0.39 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 17 D 9.02 5.13 0.00 2.73 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 18 L 8.86 4.43 0.00 1.67 1.75 0.95 0.80 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 19 T 9.08 4.27 4.78 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 1.31 0.00 0.00 20 C 7.85 4.70 0.00 3.09 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 21 G 8.09 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 22 K 7.36 4.69 0.00 1.76 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.58 7.81 23 P 0.00 4.78 0.00 2.13 2.16 0.00 3.70 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 2.06 2.13 0.00 24 A 8.77 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.56 4.77 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 26 N 8.62 4.32 0.00 2.92 3.00 0.00 0.00 7.09 7.27 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 27 V 7.77 4.14 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 0.86 0.00 0.00 0.68 0.00 0.00 28 K 8.56 4.02 0.00 1.28 1.30 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.41 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.11 0.86 7.81 29 I 8.58 4.65 1.66 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 0.98 0.70 0.38 0.00 0.00 30 G 8.79 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 0.00 0.00 0.00 0.00 31 L 8.43 5.23 0.00 1.61 1.43 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.73 4.60 0.00 1.95 1.80 0.00 1.30 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.35 7.81 33 R 8.38 4.13 0.00 1.57 1.44 0.00 3.10 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 34 L 8.18 3.89 0.00 1.44 1.43 0.94 0.97 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 35 G 8.92 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 0.00 0.00 0.00 36 E 7.63 4.71 0.00 2.01 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 2.18 2.15 0.00 37 S 8.13 4.56 0.00 3.83 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 38 I 7.89 4.12 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.95 0.00 0.00 *40 K 8.37 4.19 0.00 1.71 1.74 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 41 E 8.47 4.85 0.00 1.78 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 2.12 2.26 0.00 42 V 8.52 4.62 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 1.00 0.00 0.00 0.90 0.00 0.00 43 Y 8.42 5.13 0.00 2.81 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 44 T 8.64 4.24 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 1.28 0.00 0.00 45 N 9.21 5.07 0.00 2.94 3.00 0.00 0.00 7.10 7.58 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 46 N 8.74 4.46 0.00 2.75 2.94 0.00 0.00 6.64 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 47 D 8.81 4.57 0.00 2.57 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 48 G 8.12 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 49 R 7.92 5.14 0.00 1.81 1.79 0.00 3.00 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 50 V 7.96 4.68 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 0.75 0.00 0.00 1.04 0.00 0.00 51 D 9.03 4.51 0.00 2.64 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 52 V 7.38 4.28 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 0.81 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.31 0.00 2.18 1.95 0.00 3.63 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 2.09 2.07 0.00 54 L 8.38 4.15 0.00 1.66 1.64 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.17 4.42 0.00 1.58 1.34 0.89 0.36 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 56 A 7.80 5.32 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 57 G 8.53 3.76 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 0.00 0.00 0.00 58 E 8.91 3.83 0.00 1.98 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 0.00 2.34 2.40 0.00 59 E 8.42 4.07 0.00 2.16 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 2.35 2.35 0.00 60 L 7.46 4.02 0.00 1.63 1.60 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *62 S 8.34 4.47 0.00 4.34 3.96 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 63 G 7.50 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 64 E 7.75 4.91 0.00 1.73 1.66 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 2.23 2.23 0.00 65 Y 8.04 4.78 0.00 2.01 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 66 V 8.25 5.22 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 1.32 0.00 0.00 0.83 0.00 0.00 *68 E 8.72 4.30 0.00 1.85 1.79 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 2.22 2.26 0.00 69 F 8.84 4.39 0.00 2.96 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 70 H 8.67 4.97 0.00 3.16 3.27 0.00 5.62 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 71 A 8.15 4.07 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 72 G 8.49 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 0.00 0.00 0.00 73 D 8.16 4.41 0.00 2.78 2.79 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 74 Y 7.48 4.02 0.00 2.84 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 75 F 8.36 4.03 0.00 3.13 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 76 A 8.28 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.94 4.12 0.00 4.00 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 78 K 7.31 4.29 0.00 1.77 1.80 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.01 0.68 7.81 79 N 8.31 4.70 0.00 2.84 2.56 0.00 0.00 6.83 7.08 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 *82 A 8.88 4.44 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 83 A 7.39 4.52 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 84 D 8.93 4.57 0.00 2.71 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 85 Q 7.57 4.59 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 86 P 0.00 4.39 0.00 2.19 2.00 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.36 0.00 87 F 8.83 4.39 0.00 2.72 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 88 L 7.64 4.31 0.00 1.68 1.55 1.14 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.86 4.43 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 1.23 0.00 0.00 90 I 7.32 4.77 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.64 0.80 0.00 0.00 91 V 8.59 3.58 1.88 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 0.09 0.00 0.00 0.54 0.00 0.00 92 T 8.44 4.74 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 1.25 0.00 0.00 93 V 8.36 4.47 2.42 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 1.16 0.00 0.00 1.15 0.00 0.00 94 R 8.66 4.98 0.00 1.86 1.83 0.00 3.31 0.00 0.00 3.55 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 95 F 7.71 4.84 0.00 3.12 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 96 Q 8.88 4.99 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 97 L 9.36 3.83 0.00 1.59 1.27 0.52 -1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.88 4.08 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 0.00 0.00 0.00 0.00 0.00 99 D 8.72 4.69 0.00 2.80 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 0.00 100 P 0.00 4.52 0.00 2.27 2.28 0.00 3.69 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 101 D 9.69 4.73 0.00 2.52 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 0.00 102 A 7.44 4.59 1.03 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 0.00 0.00 103 H 8.32 5.02 0.00 2.85 3.18 0.00 5.84 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 0.00 104 Y 9.53 4.53 0.00 2.74 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 0.00 105 H 8.86 5.03 0.00 3.17 3.13 0.00 5.81 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.85 5.18 1.56 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.10 0.73 0.00 0.00 107 P 0.00 4.61 0.00 1.63 1.90 0.00 2.29 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 108 L 9.31 4.60 0.00 0.82 0.90 0.60 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.87 4.74 0.00 1.71 1.61 0.77 0.16 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 0.00 110 L 9.10 5.22 0.00 1.62 1.57 0.99 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 111 S 9.14 5.17 0.00 4.02 3.76 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 0.00 112 P 0.00 3.45 0.00 2.09 1.69 0.00 3.55 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.91 0.00 113 F 8.13 4.98 0.00 2.93 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 0.00 114 G 7.83 4.22 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 0.00 115 Y 7.61 5.21 0.00 3.10 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 0.00 116 Q 9.15 4.72 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.10 2.41 0.00 117 V 8.56 5.00 2.21 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 0.96 0.00 0.00 1.19 0.00 0.00 118 Y 8.35 4.88 0.00 3.10 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 0.00 119 R 8.74 4.36 0.00 1.86 1.97 0.00 3.39 0.00 0.00 3.32 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 120 G 8.07 4.10 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 0.00 121 S 8.66 4.34 0.00 3.86 3.75 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 * Residues marked with a * may have inaccurate shift predictions.