NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6886 8.4201 119.2043 53.3310 41.7023 176.3449 0 A 3.9945 8.1614 125.9377 52.1465 17.9667 177.2923 2 K 4.0092 9.1155 115.2717 57.4617 31.9369 173.3761 3 K 4.0457 8.3209 129.7481 57.6451 32.8203 176.9562 4 G 3.8507 8.9064 107.4983 44.5600 0.0000 172.7175 5 T 4.4052 8.1252 106.0272 60.9845 69.9517 174.3976 6 V 3.9725 7.5981 122.3750 62.0082 30.2565 174.6657 7 L 4.3131 8.0846 126.5167 55.7998 42.7252 177.9075 8 N 4.4767 7.9624 117.9790 53.1724 40.3894 175.5388 9 S 4.1229 8.6256 123.0416 61.7366 63.2236 176.5890 10 E 3.9822 8.0688 121.8414 58.9918 29.3244 179.1853 11 I 3.7108 7.6563 119.4136 64.4406 37.2679 178.4512 12 S 4.1106 8.2018 116.0521 61.5178 62.4216 176.6061 13 S 4.0169 7.9185 114.6009 61.5096 62.5134 176.0544 14 V 3.7274 8.0720 121.1067 66.1509 31.3308 177.9926 15 I 3.7486 7.9361 119.7918 64.3088 36.7425 178.2284 16 S 4.3398 7.9394 113.2226 60.1877 63.1349 175.5660 17 R 4.3134 7.6261 120.2867 55.5115 30.6782 176.3953 18 L 4.2955 7.3354 119.7468 54.3603 42.4634 176.4140 19 G 4.1597 9.5022 111.6328 43.0611 0.0000 171.7320 20 H 4.4902 8.5709 118.8196 57.9861 29.8525 175.4548 21 T 3.4675 8.8611 116.1643 61.6580 68.8333 171.9688 22 D 4.6794 7.8747 122.8162 54.8333 42.1932 175.4435 23 T 5.1366 8.3998 110.4297 59.9057 72.7206 172.3564 24 L 5.0898 8.7894 123.9297 53.4387 45.8304 174.9859 25 V 4.8458 8.7478 125.8708 61.1777 34.1577 174.2133 26 V 4.9260 8.7212 127.7029 61.3491 33.6688 174.1550 27 C 5.8003 9.1517 122.1835 56.4235 33.7045 172.8584 28 D 5.2620 9.2946 119.7696 52.0154 41.0286 177.2413 29 A 4.0675 8.9898 121.3485 54.1349 18.2809 178.4888 30 G 3.9698 8.0200 102.9307 44.8298 0.0000 173.6305 31 L 4.1386 7.5657 123.2376 53.8720 42.6349 174.8746 32 P 4.4544 0.0000 0.0000 62.5869 32.1320 175.5573 33 I 4.4339 7.9899 121.1237 58.7971 39.0224 174.0752 34 P 4.4639 0.0000 0.0000 62.2851 31.7813 177.1621 35 N 4.5531 8.5820 118.1805 54.6706 37.6330 175.9455 36 S 4.4032 7.9345 112.3975 59.2687 63.4160 173.5355 37 T 4.6065 7.4227 114.6896 59.9791 70.5140 172.9524 38 A 4.2050 8.0802 127.6547 51.9442 19.7830 176.4370 39 R 4.6662 8.5651 122.1127 54.8096 31.8724 175.5138 40 I 4.3470 8.6779 128.7460 59.8390 38.6911 174.5294 41 D 4.9185 8.5224 126.4029 52.7965 43.0457 175.4268 *43 A 4.0191 8.2961 123.8468 52.3091 19.0993 175.9996 44 L 4.1507 8.8654 125.1458 56.9430 42.8689 176.1043 45 T 4.3981 7.3407 109.8355 60.7193 70.1410 171.7409 46 Q 4.0043 8.6325 121.8839 57.7656 28.6302 177.9781 47 G 3.8871 9.3091 111.3195 45.4291 0.0000 172.9689 48 V 4.4519 7.9722 120.3949 60.2376 34.2536 173.3941 49 P 5.0818 0.0000 0.0000 62.1362 33.4074 175.7963 50 S 4.6456 8.9574 115.5574 57.2734 64.7424 175.2486 51 F 4.2451 8.8738 119.1149 59.7276 39.2195 176.8230 *53 Q 4.1782 8.1779 119.5144 55.6778 30.6331 177.8241 54 V 3.4894 7.5737 116.3846 65.9201 31.5559 178.1209 55 V 3.3534 7.5288 118.2068 65.8963 31.0362 177.3281 56 D 4.2409 7.7601 115.8340 57.3655 41.4507 177.9706 57 V 3.6791 7.7090 118.5179 65.9671 31.5928 177.8611 58 V 3.5721 7.8848 118.4013 66.3574 31.1581 177.6696 59 T 4.1694 7.7481 106.2847 63.4095 68.8918 176.3080 60 R 4.0899 7.7792 120.9213 58.0903 30.4300 176.5869 61 E 4.4626 7.8384 118.4088 55.8770 30.1267 176.4069 *63 Q 4.0746 7.9151 117.5180 55.9678 30.5739 174.9501 64 V 4.7874 8.4260 124.6794 61.2856 32.9016 175.0257 65 E 4.6913 9.3373 125.1230 56.7580 31.9445 175.2298 66 A 5.0607 7.5901 119.9103 51.0660 22.9798 174.7908 67 A 5.1538 9.4104 120.7525 50.2825 22.9581 175.2672 68 I 5.0011 8.9177 122.4192 59.5463 40.4241 174.9071 69 L 5.3528 8.7412 124.7764 52.6545 46.5940 175.7715 70 A 4.7571 8.1754 123.6055 52.0445 19.4700 178.8642 71 T 3.8804 9.0679 120.2412 67.0102 68.5270 176.7466 72 E 3.8641 7.8696 120.8477 58.3485 29.1941 179.0392 73 I 3.7049 7.5887 118.7800 63.5539 37.7026 178.0875 74 K 3.7545 7.6447 118.8895 59.5101 32.4347 178.4027 75 Q 4.0754 7.9957 117.2966 58.3757 28.8837 177.5614 76 Q 4.5055 7.7305 113.8848 56.2608 30.3107 175.5868 77 N 5.0375 8.0166 117.3184 50.8025 39.5816 173.2923 78 P 4.2853 0.0000 0.0000 66.2665 31.9718 178.4336 79 Q 3.9889 8.0130 117.4053 58.5359 28.6912 178.2153 80 L 4.0081 8.0050 121.0562 58.1197 42.2468 177.9550 81 H 4.1731 8.4563 118.6188 59.6724 29.7615 176.7883 82 E 3.9252 8.4610 120.8580 59.4404 29.4718 178.7582 83 T 3.9161 8.0321 115.9775 66.4553 68.4918 176.3686 84 L 4.0786 8.2020 122.2609 58.1541 42.1550 178.9438 85 L 4.0234 8.0127 118.9142 58.1843 41.5743 179.6330 86 T 3.8700 8.0322 115.5734 66.8838 68.3019 176.1479 87 H 4.1995 8.3662 120.0277 59.4060 29.9558 177.4035 88 L 3.9168 8.4754 121.0848 57.4867 41.2043 179.1765 89 E 3.9490 8.3034 119.7281 59.4105 29.6221 178.9119 90 Q 4.0568 8.1913 118.1712 58.4896 28.6732 178.3016 91 L 3.9263 8.1743 122.1397 58.2298 42.2072 179.1172 92 Q 4.2917 8.0136 118.8927 58.7543 28.3823 178.5154 93 Q 3.9592 7.8882 120.0203 59.2731 28.5757 178.5266 94 H 4.1415 8.0541 115.7697 58.9184 28.7948 177.6720 95 Q 4.1987 8.4375 119.3797 56.5102 28.5791 176.7701 96 G 3.8785 7.8392 107.2126 46.2838 0.0000 172.6645 97 N 4.9513 8.1551 117.8003 51.0923 40.1086 172.0599 98 T 4.6151 8.2937 112.1596 60.5992 69.2292 173.8245 99 I 4.2730 9.3115 131.5273 60.5202 37.8707 175.8856 100 K 4.2096 8.7021 129.6977 56.2278 33.2532 175.4795 101 I 5.0128 8.3661 128.0202 59.6036 39.4661 174.9228 102 S 4.7431 8.6923 119.8909 56.9891 67.0327 172.2397 103 Y 5.4068 8.6205 117.3638 56.5865 41.2338 174.8252 104 T 4.9813 8.8578 112.4183 59.6573 73.2470 173.3039 105 T 4.2603 8.4348 110.9978 61.6535 69.5551 174.7211 106 H 4.2294 8.8350 121.8639 59.6174 29.8337 177.5440 107 E 3.9668 8.2651 119.8997 59.6298 29.3744 179.0495 108 Q 4.0216 8.1355 119.5350 58.8179 29.0811 177.6842 109 F 4.0344 8.5728 122.2257 61.3892 39.2052 177.1575 110 K 4.0063 8.2175 116.6715 59.5129 32.1648 179.0601 111 K 4.0932 7.9173 118.0736 59.6051 31.9696 179.4048 112 L 3.9710 8.0089 119.3431 57.8389 41.4397 179.6310 113 T 3.7051 7.7972 109.5508 64.5330 68.2780 176.2110 114 A 4.0845 7.6947 122.5811 54.1803 18.4198 178.1147 115 D 4.6952 7.7505 115.6217 53.3271 41.6313 176.8602 116 S 4.9459 6.9512 114.1750 57.0766 64.3983 174.5515 117 Q 4.0720 8.9450 120.6042 58.9271 28.8838 176.1870 118 A 4.9069 7.4504 116.3543 50.9263 22.9067 175.3149 119 V 4.6001 8.7897 120.4708 61.2496 34.1369 174.6666 120 I 4.6911 9.1465 130.2407 59.9822 38.4185 174.8762 121 R 4.6239 8.8419 129.8313 55.5922 30.5773 176.3456 122 S 4.6512 8.8915 122.2060 56.9367 65.6004 174.0997 123 G 4.0053 8.9792 105.3753 46.3699 0.0000 173.3753 124 E 4.4984 8.2213 123.0071 56.5567 30.3227 177.1383 125 C 4.6059 8.7164 122.6612 59.4774 29.7773 174.3251 126 S 4.3462 7.4103 114.2022 57.1201 63.3124 172.2529 127 P 4.1423 0.0000 0.0000 63.7144 31.6336 175.8687 128 Y 3.2952 7.6822 117.6834 59.1284 35.7684 171.3507 129 A 3.8930 7.3512 121.0019 50.6466 16.1039 177.4713 130 N 5.5793 7.4653 116.9222 50.8177 43.3335 175.4556 131 V 5.0572 9.5235 122.0779 60.2843 35.5854 174.1937 132 I 4.7725 8.9359 124.4166 60.0179 38.9081 174.4523 133 L 5.0140 9.0501 128.1524 53.4303 43.9327 175.2829 134 C 5.1036 8.9912 121.4854 57.8538 30.6081 173.0432 135 A 4.6548 9.0401 126.6840 51.9470 19.1169 176.6034 136 G 4.3218 8.3226 107.2528 46.1266 0.0000 172.8979 137 V 4.6326 8.1623 114.0362 59.0117 35.8821 175.8570 138 T 4.0132 8.3379 113.9172 62.6086 67.1933 173.7764 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 N 8.42 4.69 0.00 2.70 2.92 0.00 0.00 6.98 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 0 A 8.16 3.99 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 2 K 9.12 4.01 0.00 1.80 2.12 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 K 8.32 4.05 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.91 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 0.00 0.00 0.00 5 T 8.13 4.41 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 1.20 0.00 0.00 6 V 7.60 3.97 2.24 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 0.82 0.00 0.00 0.95 0.00 0.00 7 L 8.08 4.31 0.00 1.64 1.70 0.97 1.07 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 8 N 7.96 4.48 0.00 2.82 2.68 0.00 0.00 6.99 7.63 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 9 S 8.63 4.12 0.00 4.08 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 10 E 8.07 3.98 0.00 2.00 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 2.40 2.34 0.00 11 I 7.66 3.71 1.86 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 1.63 0.68 0.90 0.00 0.00 12 S 8.20 4.11 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 13 S 7.92 4.02 0.00 4.01 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 14 V 8.07 3.73 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 0.97 0.00 0.00 0.96 0.00 0.00 15 I 7.94 3.75 1.92 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 1.57 0.89 0.90 0.00 0.00 16 S 7.94 4.34 0.00 4.04 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 17 R 7.63 4.31 0.00 1.97 2.00 0.00 3.15 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 18 L 7.34 4.30 0.00 1.76 1.60 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.50 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 0.00 0.00 0.00 0.00 20 H 8.57 4.49 0.00 3.09 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.86 3.47 4.15 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 0.00 0.00 0.00 0.88 0.00 0.00 22 D 7.87 4.68 0.00 2.75 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 23 T 8.40 5.14 4.19 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 1.17 0.00 0.00 24 L 8.79 5.09 0.00 1.72 1.48 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.75 4.85 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 1.03 0.00 0.00 0.86 0.00 0.00 26 V 8.72 4.93 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 0.87 0.00 0.00 0.87 0.00 0.00 27 C 9.15 5.80 0.00 3.30 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 28 D 9.29 5.26 0.00 3.02 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 A 8.99 4.07 1.35 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 0.00 0.00 0.00 30 G 8.02 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 0.00 0.00 0.00 31 L 7.57 4.14 0.00 1.63 1.65 1.08 1.13 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 32 P 0.00 4.45 0.00 2.24 2.05 0.00 3.82 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 2.02 2.01 0.00 33 I 7.99 4.43 1.89 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 1.45 0.82 0.92 0.00 0.00 34 P 0.00 4.46 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 35 N 8.58 4.55 0.00 2.81 2.94 0.00 0.00 6.12 7.64 0.00 0.00 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 S 7.93 4.40 0.00 3.99 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 37 T 7.42 4.61 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 1.28 0.00 0.00 38 A 8.08 4.20 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 39 R 8.57 4.67 0.00 1.82 1.84 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 40 I 8.68 4.35 1.88 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 1.11 0.67 0.91 0.00 0.00 41 D 8.52 4.92 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 4.02 1.27 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 44 L 8.87 4.15 0.00 1.60 1.85 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.34 4.40 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 46 Q 8.63 4.00 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 47 G 9.31 3.89 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 0.00 0.00 0.00 48 V 7.97 4.45 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 1.07 0.00 0.00 0.94 0.00 0.00 49 P 0.00 5.08 0.00 2.16 2.16 0.00 3.76 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 2.08 1.96 0.00 50 S 8.96 4.65 0.00 4.14 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 51 F 8.87 4.25 0.00 3.13 3.18 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 *53 Q 8.18 4.18 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 54 V 7.57 3.49 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 1.01 0.00 0.00 0.99 0.00 0.00 55 V 7.53 3.35 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 0.86 0.00 0.00 0.01 0.00 0.00 56 D 7.76 4.24 0.00 2.49 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 57 V 7.71 3.68 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 0.92 0.00 0.00 0.94 0.00 0.00 58 V 7.88 3.57 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 0.97 0.00 0.00 0.93 0.00 0.00 59 T 7.75 4.17 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 60 R 7.78 4.09 0.00 1.97 2.02 0.00 3.11 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 61 E 7.84 4.46 0.00 1.95 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 2.25 2.24 0.00 *63 Q 7.92 4.07 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 64 V 8.43 4.79 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 0.86 0.00 0.00 0.92 0.00 0.00 65 E 9.34 4.69 0.00 2.03 2.28 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 2.21 2.25 0.00 66 A 7.59 5.06 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 67 A 9.41 5.15 1.19 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 0.00 0.00 68 I 8.92 5.00 1.87 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 1.21 0.66 0.98 0.00 0.00 69 L 8.74 5.35 0.00 1.37 1.57 1.01 0.81 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 70 A 8.18 4.76 1.06 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 71 T 9.07 3.88 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 1.07 0.00 0.00 72 E 7.87 3.86 0.00 1.16 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 1.78 1.93 0.00 73 I 7.59 3.70 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 1.50 1.46 0.99 0.00 0.00 74 K 7.64 3.75 0.00 1.59 1.67 0.00 1.36 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.97 7.81 75 Q 8.00 4.08 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 76 Q 7.73 4.51 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.30 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 77 N 8.02 5.04 0.00 2.80 2.62 0.00 0.00 6.81 7.85 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 78 P 0.00 4.29 0.00 2.31 2.43 0.00 3.75 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 2.07 2.05 0.00 79 Q 8.01 3.99 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 80 L 8.00 4.01 0.00 1.82 1.82 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.46 4.17 0.00 3.25 3.56 0.00 5.66 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 82 E 8.46 3.93 0.00 2.13 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 2.31 2.40 0.00 83 T 8.03 3.92 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 1.26 0.00 0.00 84 L 8.20 4.08 0.00 1.99 1.97 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.01 4.02 0.00 1.86 1.71 0.86 0.59 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 86 T 8.03 3.87 4.40 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 1.24 0.00 0.00 87 H 8.37 4.20 0.00 3.26 3.49 0.00 5.78 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 88 L 8.48 3.92 0.00 1.82 1.70 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.30 3.95 0.00 2.26 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 2.31 2.36 0.00 90 Q 8.19 4.06 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 91 L 8.17 3.93 0.00 1.65 1.75 0.92 0.78 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 92 Q 8.01 4.29 0.00 2.58 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 93 Q 7.89 3.96 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 94 H 8.05 4.14 0.00 3.25 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.44 4.20 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.44 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 96 G 7.84 3.88 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 0.00 0.00 0.00 97 N 8.16 4.95 0.00 2.83 2.91 0.00 0.00 6.42 6.61 0.00 0.00 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 T 8.29 4.62 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 99 I 9.31 4.27 1.99 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 1.23 0.65 0.91 0.00 0.00 100 K 8.70 4.21 0.00 1.89 1.67 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 101 I 8.37 5.01 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.60 0.00 0.00 102 S 8.69 4.74 0.00 3.85 3.89 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 0.00 103 Y 8.62 5.41 0.00 2.84 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 0.00 104 T 8.86 4.98 4.32 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 1.28 0.00 0.00 105 T 8.43 4.26 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 1.23 0.00 0.00 106 H 8.84 4.23 0.00 3.47 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.27 3.97 0.00 2.06 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 2.46 2.35 0.00 108 Q 8.14 4.02 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 109 F 8.57 4.03 0.00 3.33 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 0.00 110 K 8.22 4.01 0.00 1.94 1.89 0.00 1.76 0.00 0.00 1.40 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.57 7.81 111 K 7.92 4.09 0.00 1.98 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.01 3.97 0.00 1.60 1.55 0.86 0.48 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 0.00 113 T 7.80 3.71 4.19 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 1.03 0.00 0.00 114 A 7.69 4.08 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 0.00 115 D 7.75 4.70 0.00 2.70 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 0.00 116 S 6.95 4.95 0.00 4.09 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 0.00 117 Q 8.95 4.07 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 118 A 7.45 4.91 1.19 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 0.00 0.00 119 V 8.79 4.60 2.10 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 1.09 0.00 0.00 0.94 0.00 0.00 120 I 9.15 4.69 1.88 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 1.11 0.48 0.96 0.00 0.00 121 R 8.84 4.62 0.00 1.83 1.86 0.00 3.26 0.00 0.00 3.60 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 122 S 8.89 4.65 0.00 4.11 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 0.00 123 G 8.98 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 0.00 0.00 0.00 124 E 8.22 4.50 0.00 2.30 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 2.26 2.39 0.00 125 C 8.72 4.61 0.00 2.96 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 0.00 126 S 7.41 4.35 0.00 4.04 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 0.00 127 P 0.00 4.14 0.00 2.19 1.98 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 128 Y 7.68 3.30 0.00 3.03 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 0.00 129 A 7.35 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.47 5.58 0.00 2.14 2.94 0.00 0.00 6.99 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 0.00 131 V 9.52 5.06 2.47 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 1.02 0.00 0.00 1.12 0.00 0.00 132 I 8.94 4.77 1.77 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.18 0.82 0.00 0.00 133 L 9.05 5.01 0.00 1.65 1.57 0.90 0.75 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 0.00 134 C 8.99 5.10 0.00 2.82 2.81 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 0.00 135 A 9.04 4.65 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 0.00 136 G 8.32 4.32 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 0.00 137 V 8.16 4.63 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 0.73 0.00 0.00 0.89 0.00 0.00 138 T 8.34 4.01 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.