NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8096 8.4545 109.7371 45.2535 0.0000 174.8479 1 S 4.3361 8.4743 121.1954 57.1782 60.7656 165.5826 2 V 4.0589 7.8942 120.1882 60.0034 34.0636 175.9068 3 L 4.2368 7.5986 120.4830 53.2855 41.8721 176.9639 4 L 4.0928 7.7063 119.7079 56.3193 43.2062 178.6224 5 T 5.3150 8.8960 120.8133 60.8151 72.4998 173.5067 *7 I 4.0850 8.0118 121.2779 61.3847 38.6401 175.1670 8 A 4.5918 7.7756 127.0046 49.7719 23.1995 174.9107 9 R 3.9636 8.5255 121.0702 55.9626 30.5576 177.8731 10 V 3.3780 8.7083 127.2920 65.8945 31.9528 176.7375 11 A 4.1604 8.1721 121.7542 54.9142 17.9408 177.6971 12 D 4.6896 7.5921 109.4288 52.3881 40.4545 176.3447 13 G 3.7113 8.5352 107.4003 45.6147 0.0000 173.6691 14 L 3.9072 7.8160 123.0250 54.5357 43.0890 174.8131 15 P 4.1969 0.0000 0.0000 62.9984 31.9411 176.3695 16 L 4.5693 8.4475 122.6701 56.0466 44.3284 176.2939 17 A 4.8438 7.5407 115.6390 51.4785 21.8844 175.1481 18 A 4.8630 9.0477 119.9788 51.6655 23.2753 176.5899 19 S 4.1875 9.4930 113.9368 57.6361 65.1002 173.7351 *21 Q 4.3896 8.4620 126.7168 55.7894 28.5164 173.6646 22 E 4.1246 8.5155 125.4803 55.3091 30.6276 176.1649 23 D 4.1845 8.6698 124.5211 54.5576 39.6437 171.4852 24 E 3.7424 9.3571 129.7427 55.2073 25.9036 173.6839 25 Q 4.5965 7.7693 117.7150 54.6585 31.3516 174.8668 26 S 4.2338 8.4651 114.8454 58.3998 63.7188 175.1106 27 G 3.9049 8.6819 110.2231 46.5318 0.0000 176.4691 28 R 4.0012 7.5551 123.2972 61.0339 29.9322 183.4213 29 D 3.9510 8.3713 120.3135 56.7160 40.6841 178.3061 30 L 3.9328 7.5239 122.7323 59.1836 41.9976 179.6098 31 Q 3.8315 7.7414 120.0773 60.2363 27.8856 180.6992 32 Q 4.0979 7.8298 121.1094 59.2940 29.0877 177.8830 33 Y 4.5172 8.0431 117.9624 61.5127 37.8981 178.5474 34 Q 4.1149 9.0790 119.7890 59.2793 28.7652 179.4212 35 S 4.1172 8.2634 115.9208 61.9440 62.9280 176.6859 36 Q 3.8305 8.4309 120.4517 58.8910 28.3841 179.2756 37 A 3.5117 8.2192 121.7737 54.9277 18.5474 179.5443 38 K 3.9659 8.1638 118.4097 59.7662 32.0299 178.7437 39 Q 3.9258 8.4470 119.2772 58.9208 28.7381 177.6798 40 L 3.9012 7.6541 121.5547 57.8901 42.0916 178.9023 41 F 4.3861 7.6126 117.6800 60.8962 38.6875 177.6606 42 R 4.0824 7.7888 118.1008 59.5786 29.8730 178.2709 43 K 4.4291 7.3986 116.7745 54.2862 31.7606 178.5666 44 L 4.7805 7.6507 119.6109 54.3756 43.6490 176.0093 45 N 4.8527 8.3404 118.1278 52.2102 39.5709 174.4474 46 E 4.1557 8.8852 117.3544 59.3400 29.9076 178.0833 47 Q 4.2708 10.2524 117.4134 56.5488 28.7096 182.1755 48 S 4.5126 7.7169 111.5546 57.9862 63.4902 172.5328 49 P 4.5071 0.0000 0.0000 63.3857 31.9156 176.6528 50 T 4.4498 8.4244 116.2568 65.1410 69.9564 174.7376 51 R 5.0827 7.6665 120.1241 54.7404 33.2800 174.0453 52 C 4.6677 8.6972 123.4279 58.7108 35.5662 172.3434 53 T 5.1669 8.5700 121.0514 61.7705 71.1697 173.4957 54 L 4.7388 9.2731 125.4548 52.8136 45.1416 175.9218 55 E 4.5073 8.9625 123.8293 55.6336 30.2844 177.7343 56 A 4.7413 7.9892 125.4483 51.1685 20.4082 177.0358 57 G 3.8969 7.8170 118.3774 46.4932 0.0000 174.7895 58 A 3.9477 8.7201 127.1456 53.7697 18.2254 176.9071 *60 T 4.4917 7.6822 113.8052 63.9599 70.2977 172.9815 61 F 4.9679 9.2663 125.5046 56.7491 41.1386 174.7217 62 H 5.4649 9.1996 119.4106 54.5047 33.1075 171.9839 63 Y 5.5137 8.4792 118.8929 56.4280 41.7823 173.1984 64 I 5.5224 9.3638 112.7558 59.7055 41.6927 173.8972 65 I 5.2155 9.1244 124.5869 59.8170 39.7109 175.1816 66 E 4.6522 9.3060 125.7515 56.2670 33.5259 175.3017 67 Q 3.5023 9.9114 120.2792 57.0537 26.7316 174.8545 68 G 3.8808 8.3933 102.6817 45.5621 0.0000 173.3496 69 V 4.4795 7.9567 119.9605 60.7444 34.6326 173.9991 70 C 5.0034 8.6533 128.0907 58.0094 33.4497 172.1714 71 Y 4.4279 9.1439 126.1838 56.8153 38.7365 174.5083 72 L 5.5152 8.6479 126.8446 53.1634 45.4081 175.3370 73 V 4.8591 9.4223 124.5974 59.8577 35.3121 173.8407 74 L 4.8163 8.7995 125.5744 53.3615 44.5544 174.7390 75 C 4.6894 8.4319 118.6675 56.8886 32.6527 173.3109 76 E 3.8923 8.6630 119.1122 56.0651 29.9587 178.3202 77 A 4.4855 8.9637 125.0207 54.7184 18.5024 179.2994 78 A 4.1201 7.9423 116.9700 54.3590 18.7738 177.6926 79 F 3.9513 7.9014 117.9957 57.7507 39.9594 173.3194 80 P 4.1825 0.0000 0.0000 62.0762 30.6342 176.7460 81 K 3.9401 9.0690 128.1850 60.4071 31.7368 178.5166 82 K 4.1074 8.1742 121.9380 60.1230 31.7810 180.1553 83 L 4.5979 8.2719 119.7420 57.2384 41.7140 178.8999 84 A 3.9993 8.6115 120.4227 55.7560 18.0558 179.6770 85 F 4.0470 7.9439 114.1177 60.3324 38.9790 177.8673 86 A 4.1227 8.7156 121.1764 55.2185 18.3575 179.0121 87 Y 3.3976 7.7143 117.4562 60.7738 38.9204 178.1908 88 L 3.7554 8.1358 120.0177 57.6078 41.7043 179.4436 89 E 3.9457 8.4440 119.0939 59.3913 29.4933 179.0819 90 D 4.4402 8.0245 118.7570 57.3958 40.9441 178.7645 91 L 4.5213 7.6727 119.0943 58.4095 41.5896 178.6366 92 H 3.5273 7.9445 118.2625 59.0545 29.7332 177.0103 93 S 3.8900 7.9704 115.4171 61.6625 62.6958 176.3165 94 E 3.7941 8.1174 122.4112 58.6380 29.3107 178.4246 95 F 3.7618 8.8884 121.0415 61.2970 39.3230 176.3329 96 D 4.3429 9.0304 120.3959 58.1347 40.7551 178.8058 97 E 3.9373 7.7369 117.1369 61.3864 29.7960 180.6711 98 Q 4.2048 7.7276 117.9038 58.1028 29.1535 176.7270 99 H 4.7541 8.4483 113.3729 54.4156 30.2452 175.2468 100 G 4.0801 7.9695 111.5624 48.5971 0.0000 176.2354 101 K 3.9479 7.8848 118.7284 55.5481 32.3393 180.4020 102 K 4.4486 8.4049 117.5346 57.9426 32.6539 177.9252 103 V 3.7236 7.1744 118.5511 65.7319 31.1604 175.6889 104 P 4.4242 0.0000 0.0000 64.2376 31.4161 176.3016 105 T 4.5355 7.9001 107.0677 61.2215 70.1348 174.7720 106 V 3.9006 7.2020 115.9761 61.6907 31.9963 175.9708 107 S 4.5646 8.4325 115.3423 58.0322 64.4320 174.6633 108 R 4.5723 7.7167 119.6280 53.6089 30.7999 179.9876 109 P 4.4642 0.0000 0.0000 63.0160 32.0609 175.2301 110 Y 3.7986 7.5836 115.5744 59.4762 35.8813 172.1287 111 S 4.3374 8.0864 112.3579 59.5732 63.5729 174.8211 112 F 4.9913 7.8658 120.6444 56.4825 40.0605 177.1862 113 I 3.8965 8.3738 116.6434 64.3699 37.6311 177.1185 114 E 3.9713 8.7439 121.0552 59.5662 29.3010 178.5637 115 F 4.2223 8.5442 119.7153 61.1144 39.3429 176.5192 116 D 4.6078 8.8463 119.3111 57.8023 40.6066 178.6896 117 T 3.8949 8.2730 110.4356 64.7920 68.7188 176.2991 118 F 3.9711 7.9268 123.1857 60.8851 39.3881 176.4348 119 I 3.5698 7.5917 119.3093 64.9808 36.7730 178.0952 120 Q 4.1047 8.1068 119.8116 59.6175 28.8562 179.9095 121 K 4.0891 7.7889 124.3214 60.2744 31.5385 181.2693 122 T 4.0148 7.9290 117.6170 66.3581 68.1613 176.5665 123 K 4.0368 8.5082 121.7608 59.2380 32.0146 179.0729 124 K 4.0909 8.1358 119.1544 59.1138 31.7722 179.0907 125 L 4.3114 7.3374 112.7014 55.9385 40.9878 176.4233 126 Y 4.4524 8.1203 115.5959 59.2953 40.3558 175.5396 127 I 4.0956 7.7148 116.8335 61.1377 37.8769 175.5324 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 0 G 8.45 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 1 S 8.47 4.34 0.00 3.73 3.72 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 2 V 7.89 4.06 1.97 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 0.83 0.00 0.00 0.76 0.00 0.00 3 L 7.60 4.24 0.00 1.09 1.13 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.71 4.09 0.00 1.54 1.59 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.90 5.32 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 1.43 0.00 0.00 *7 I 8.01 4.09 1.55 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.64 -0.27 0.00 0.00 8 A 7.78 4.59 0.17 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 0.00 0.00 9 R 8.53 3.96 0.00 1.73 1.77 0.00 3.07 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 10 V 8.71 3.38 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 0.76 0.00 0.00 0.86 0.00 0.00 11 A 8.17 4.16 1.26 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 0.00 0.00 0.00 12 D 7.59 4.69 0.00 2.71 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 13 G 8.54 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 14 L 7.82 3.91 0.00 2.01 1.47 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.20 0.00 1.22 1.20 0.00 3.47 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 16 L 8.45 4.57 0.00 1.28 1.66 0.60 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.54 4.84 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 18 A 9.05 4.86 1.47 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 0.00 0.00 19 S 9.49 4.19 0.00 3.88 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 *21 Q 8.46 4.39 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 22 E 8.52 4.12 0.00 1.89 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 2.26 2.36 0.00 23 D 8.67 4.18 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.36 3.74 0.00 2.13 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 2.20 2.28 0.00 25 Q 7.77 4.60 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 26 S 8.47 4.23 0.00 3.98 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 27 G 8.68 3.90 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 0.00 0.00 0.00 28 R 7.56 4.00 0.00 1.83 1.93 0.00 3.26 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.28 0.00 29 D 8.37 3.95 0.00 2.35 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 0.00 0.00 0.00 0.00 30 L 7.52 3.93 0.00 1.76 1.61 1.00 0.67 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 31 Q 7.74 3.83 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 32 Q 7.83 4.10 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.70 0.00 33 Y 8.04 4.52 0.00 3.19 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 34 Q 9.08 4.11 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.73 0.00 35 S 8.26 4.12 0.00 4.09 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 36 Q 8.43 3.83 0.00 2.40 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 37 A 8.22 3.51 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 38 K 8.16 3.97 0.00 1.89 2.00 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.53 7.81 39 Q 8.45 3.93 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 40 L 7.65 3.90 0.00 1.54 1.22 0.80 0.65 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 41 F 7.61 4.39 0.00 3.09 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 42 R 7.79 4.08 0.00 1.95 2.02 0.00 3.16 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 43 K 7.40 4.43 0.00 1.79 1.68 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.27 7.81 44 L 7.65 4.78 0.00 1.75 1.58 0.74 0.61 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 45 N 8.34 4.85 0.00 2.93 2.91 0.00 0.00 6.65 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 46 E 8.89 4.16 0.00 2.11 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 0.00 2.28 2.25 0.00 47 Q 10.25 4.27 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 48 S 7.72 4.51 0.00 4.04 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 49 P 0.00 4.51 0.00 2.07 1.99 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 2.07 2.14 0.00 50 T 8.42 4.45 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 1.35 0.00 0.00 51 R 7.67 5.08 0.00 1.71 1.64 0.00 2.91 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.27 0.00 52 C 8.70 4.67 0.00 2.67 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 53 T 8.57 5.17 4.34 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 1.27 0.00 0.00 54 L 9.27 4.74 0.00 1.58 1.55 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.96 4.51 0.00 1.88 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 2.35 2.35 0.00 56 A 7.99 4.74 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 57 G 7.82 3.90 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 0.00 0.00 0.00 58 A 8.72 3.95 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 *60 T 7.68 4.49 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 1.13 0.00 0.00 61 F 9.27 4.97 0.00 2.93 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 62 H 9.20 5.46 0.00 2.74 2.43 0.00 5.65 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.48 5.51 0.00 3.28 3.15 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 0.00 64 I 9.36 5.52 2.02 0.00 0.00 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 1.44 1.24 1.21 0.00 0.00 65 I 9.12 5.22 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.98 1.00 0.00 0.00 66 E 9.31 4.65 0.00 1.76 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 2.16 2.09 0.00 67 Q 9.91 3.50 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.13 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 68 G 8.39 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 69 V 7.96 4.48 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 -0.05 0.00 0.00 0.86 0.00 0.00 70 C 8.65 5.00 0.00 2.81 2.48 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 71 Y 9.14 4.43 0.00 3.01 2.87 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 72 L 8.65 5.52 0.00 1.98 1.72 1.25 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.42 4.86 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 0.69 0.00 0.00 0.72 0.00 0.00 74 L 8.80 4.82 0.00 1.13 1.10 -0.62 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 75 C 8.43 4.69 0.00 2.68 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 76 E 8.66 3.89 0.00 2.08 1.95 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 2.38 2.32 0.00 77 A 8.96 4.49 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 78 A 7.94 4.12 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 79 F 7.90 3.95 0.00 3.03 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 80 P 0.00 4.18 0.00 1.71 1.78 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 81 K 9.07 3.94 0.00 1.95 1.97 0.00 1.94 0.00 0.00 2.00 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 2.00 1.95 7.81 82 K 8.17 4.11 0.00 1.89 1.74 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.13 7.81 83 L 8.27 4.60 0.00 1.77 2.11 0.86 0.78 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 84 A 8.61 4.00 1.08 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 0.00 0.00 85 F 7.94 4.05 0.00 3.29 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 86 A 8.72 4.12 1.63 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 87 Y 7.71 3.40 0.00 1.82 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 88 L 8.14 3.76 0.00 1.85 1.69 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.44 3.95 0.00 2.20 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 2.70 2.57 0.00 90 D 8.02 4.44 0.00 2.89 2.87 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 91 L 7.67 4.52 0.00 1.82 2.03 0.58 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 92 H 7.94 3.53 0.00 2.14 3.15 0.00 5.63 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 93 S 7.97 3.89 0.00 4.07 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 94 E 8.12 3.79 0.00 1.96 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 0.00 1.47 1.88 0.00 95 F 8.89 3.76 0.00 2.90 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 96 D 9.03 4.34 0.00 2.92 2.64 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 0.00 0.00 0.00 0.00 97 E 7.74 3.94 0.00 2.14 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 2.26 2.23 0.00 98 Q 7.73 4.20 0.00 1.86 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 99 H 8.45 4.75 0.00 1.56 2.58 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.97 4.08 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 0.00 0.00 0.00 101 K 7.88 3.95 0.00 1.79 1.73 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 0.99 7.81 102 K 8.40 4.45 0.00 1.85 2.07 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 103 V 7.17 3.72 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 0.98 0.00 0.00 0.82 0.00 0.00 104 P 0.00 4.42 0.00 2.26 2.15 0.00 3.66 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 2.02 0.00 105 T 7.90 4.54 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 1.22 0.00 0.00 106 V 7.20 3.90 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 0.73 0.00 0.00 1.04 0.00 0.00 107 S 8.43 4.56 0.00 3.90 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 0.00 108 R 7.72 4.57 0.00 1.84 1.74 0.00 3.28 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.20 0.00 109 P 0.00 4.46 0.00 2.24 2.09 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 110 Y 7.58 3.80 0.00 3.13 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 0.00 111 S 8.09 4.34 0.00 3.28 3.43 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 0.00 112 F 7.87 4.99 0.00 3.41 3.04 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 0.00 0.00 0.00 0.00 113 I 8.37 3.90 1.98 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 1.37 1.05 1.08 0.00 0.00 114 E 8.74 3.97 0.00 2.13 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 0.00 2.49 2.45 0.00 115 F 8.54 4.22 0.00 3.50 3.42 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 0.00 116 D 8.85 4.61 0.00 3.03 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 0.00 117 T 8.27 3.89 4.29 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 1.34 0.00 0.00 118 F 7.93 3.97 0.00 2.74 2.30 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 0.00 119 I 7.59 3.57 2.16 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.92 1.08 0.00 0.00 120 Q 8.11 4.10 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 121 K 7.79 4.09 0.00 1.79 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 122 T 7.93 4.01 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 1.25 0.00 0.00 123 K 8.51 4.04 0.00 2.01 2.02 0.00 1.60 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.21 7.81 124 K 8.14 4.09 0.00 2.00 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.66 7.81 125 L 7.34 4.31 0.00 1.75 1.49 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.12 4.45 0.00 2.96 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 0.00 127 I 7.71 4.10 2.03 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 1.34 0.53 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.