NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.7310 8.2227 120.3331 52.5648 40.8213 174.2590 6 L 3.6260 8.1478 117.4073 58.4626 41.2949 175.0407 7 E 3.9035 8.8756 117.9923 59.6476 30.6288 177.6435 8 E 3.9240 8.3232 118.6282 59.6548 29.5789 178.7227 9 L 4.1835 7.8121 119.3166 57.7618 42.3124 178.0289 10 E 3.9090 8.1301 119.5329 59.6635 29.5027 179.0620 11 Q 4.0686 8.5971 117.9656 58.9912 28.9270 177.9920 12 F 4.3370 8.3345 121.4306 61.6212 39.0877 176.9891 13 A 3.6268 7.8352 118.8236 55.3236 18.4567 179.0827 14 K 3.9387 7.5540 116.8200 59.8146 32.2505 178.6737 15 T 3.9155 8.2384 109.8158 65.1077 68.4046 175.8311 16 F 4.0866 8.2824 123.1322 60.9493 39.4931 176.9424 17 K 4.0668 8.0212 120.5188 59.5538 31.8564 178.1277 18 Q 4.0225 8.1125 118.0772 58.0603 28.5588 178.2680 19 R 3.8944 8.3948 118.7577 59.6967 30.0861 178.6939 20 R 3.9418 7.7957 118.0408 59.8698 29.8920 178.3557 21 I 4.0454 7.8157 120.2500 64.3451 37.7461 178.4978 22 K 3.9929 8.1482 124.2388 59.8549 31.6812 181.1334 23 L 4.4388 8.0561 116.2059 54.4087 42.5973 177.1024 24 G 3.7188 8.2151 107.1319 46.0152 0.0000 174.4559 25 F 4.8315 8.1035 114.0494 55.2493 43.3713 176.4260 26 T 4.3647 9.2012 117.1128 61.1856 71.0269 175.8465 27 Q 4.1792 8.6714 120.4860 58.8565 28.6704 179.2958 28 G 3.6313 8.0848 106.6380 47.8771 0.0000 175.2749 29 D 4.4047 8.4150 121.3712 57.1236 40.7920 178.6844 30 V 3.0199 7.7426 117.9322 66.0924 31.4822 178.1998 31 G 4.2305 8.1667 106.4277 47.5782 0.0000 175.5670 32 L 4.0464 7.8732 122.6247 56.7652 42.2113 178.8835 33 A 4.0787 8.3948 121.7000 55.5863 18.4086 179.3988 34 M 4.4317 7.8475 116.8981 57.7080 31.8959 179.1486 35 G 3.6344 7.9659 109.0805 48.1046 0.0000 176.9197 36 K 4.2808 7.4499 121.2207 53.8415 31.8880 179.5710 37 L 4.4617 7.5686 120.0100 55.9297 45.2136 175.8555 38 Y 4.6178 8.0433 111.1055 57.5670 41.2926 175.2391 39 G 4.2655 7.6733 116.2187 45.2095 0.0000 173.0362 40 N 4.5283 7.6405 118.5533 51.8500 39.8049 175.1484 41 D 4.6431 8.4969 125.1684 52.5813 41.1329 175.4320 42 F 5.2448 8.3374 118.2883 55.2051 41.0866 175.6836 43 S 4.5218 8.6547 120.8554 58.4981 64.6123 174.9978 44 Q 3.9757 8.6277 122.7323 59.5454 28.6239 178.4999 45 T 3.8437 7.9310 116.3545 67.2106 68.5439 176.3214 46 T 3.7740 7.4607 116.0737 66.5460 68.3790 176.8706 47 I 3.7345 7.4678 121.3138 64.3443 37.1289 178.2847 48 S 4.1340 8.4552 114.3259 61.7131 62.2654 176.4719 49 R 3.9111 8.2878 120.9003 59.1906 29.8424 178.9038 50 F 4.0974 8.3570 120.6000 61.1976 39.4014 177.1393 51 E 3.9726 8.5114 118.1255 59.1472 29.1010 178.3076 52 A 4.3673 7.9624 117.4827 51.3489 18.5937 177.0170 53 L 3.3907 7.1210 115.8783 56.0187 40.2544 174.8619 54 N 4.7691 8.2459 115.1109 52.3925 38.2366 173.4173 55 L 4.7201 7.1328 116.6311 52.0636 46.6847 177.0049 56 S 4.3603 8.3871 115.0322 58.2310 64.9270 174.7251 57 F 4.2524 9.1560 128.0000 62.3732 38.8975 178.5110 58 K 3.8076 8.0346 122.4747 59.8705 31.7307 180.6240 59 N 4.4753 8.0550 118.4111 56.5360 38.8075 176.9613 60 M 4.3059 8.3414 120.8219 58.6576 31.8539 178.5043 61 C 4.1068 7.6799 115.7722 62.2230 28.2545 175.7326 62 K 4.0435 7.9448 121.2289 59.2515 32.0882 178.5073 63 L 4.0599 8.1075 119.1400 56.9270 41.5173 178.5325 64 K 3.9491 7.9829 119.5888 60.1037 32.0122 176.0684 65 P 3.9915 0.0000 0.0000 65.7672 31.3110 178.2297 66 L 3.5936 7.5206 116.4651 58.1408 41.7652 179.7484 67 L 3.9381 7.7333 118.4921 57.6635 41.5608 178.8667 68 E 4.1381 8.9391 119.9163 59.8739 29.4272 178.6856 69 K 3.8735 8.7136 119.5649 59.1232 32.1406 178.0434 70 W 4.2954 8.4760 128.0332 61.0072 30.4466 177.3971 71 L 3.7572 8.6664 118.9073 58.4814 41.8144 178.3587 72 N 4.6370 8.1868 116.5935 55.9580 38.5076 176.7967 73 D 4.2502 7.7117 117.5332 57.5611 41.2721 178.0579 74 A 3.8853 7.5408 119.8329 54.1318 18.5345 178.9524 75 E 3.8545 7.5991 114.4233 56.9116 29.2416 176.3029 *102 R 4.1761 7.2816 118.6352 55.6428 31.0931 174.9964 103 K 4.1546 8.5469 127.2445 56.3795 32.9870 177.4601 104 K 4.0785 8.3852 126.5622 54.0939 32.2484 176.2866 105 R 3.9686 8.4634 122.9965 56.0511 29.9240 176.3828 106 T 3.9426 8.3983 123.3973 63.6165 68.7459 175.0469 107 S 4.3524 8.4245 122.1308 56.6015 61.0902 172.1089 108 I 3.7096 7.9863 126.3585 60.8285 37.1585 176.6491 109 E 4.1515 8.5844 126.2804 55.7737 31.7177 176.9786 110 T 3.8797 8.5523 121.6031 67.3112 68.5834 176.3631 111 N 4.3486 8.0702 117.3527 56.4003 38.5771 177.4975 112 I 3.6666 7.6176 120.7927 64.1150 37.1354 178.2143 113 R 3.6235 8.1144 119.9056 59.2151 29.8716 178.7170 114 V 3.5200 7.5943 117.5290 66.0706 31.6239 177.6887 115 A 4.0351 7.9171 120.4064 55.2634 18.0330 179.6161 116 L 3.5073 7.7882 117.4011 57.7438 41.4971 179.3622 117 E 4.3048 8.3659 121.9038 59.7290 29.3964 179.5691 118 K 4.0267 8.5859 124.1198 59.8864 31.7573 180.9025 119 S 4.4637 8.5163 115.2193 61.3470 62.1192 176.0196 120 F 4.7643 8.4967 123.5414 60.9790 39.2083 176.8285 121 L 4.1273 8.1512 117.6040 57.2115 41.3760 179.0240 122 E 4.4131 7.5347 116.6180 57.1934 29.6074 176.3911 123 N 4.7842 8.1497 119.1392 51.6933 41.2463 174.7364 124 Q 3.3528 8.7822 125.3257 58.4175 28.9578 177.4298 125 K 4.4066 7.5134 120.8507 53.6371 31.0939 173.5917 126 P 4.4670 0.0000 0.0000 61.9654 32.4695 177.5322 127 T 4.2907 8.4227 110.4136 60.8158 71.2596 175.8019 128 S 4.0657 8.6078 119.3853 62.3942 62.9012 177.2138 129 E 4.0112 8.1389 120.1592 59.3682 29.1722 179.1770 130 E 3.9563 8.2083 118.7018 59.3473 29.4317 179.3676 131 I 3.6604 8.1599 120.0796 64.6686 37.2141 178.4436 132 T 3.8532 8.2093 116.8174 67.0873 68.3306 176.2432 133 M 4.0393 8.3739 120.7648 58.7185 31.9203 179.0750 134 I 3.7194 7.9270 119.4627 64.3330 37.1126 178.2484 135 A 4.0043 8.2707 121.8651 55.1171 17.8739 179.2725 136 D 4.1668 7.9169 115.7288 57.6876 41.5276 178.0647 137 Q 4.1862 7.9932 117.8572 57.6480 29.2536 176.7091 138 L 4.5934 8.1402 120.0534 53.6501 42.3581 176.7609 139 N 4.1288 7.4721 113.0468 53.9991 37.5003 173.8689 140 M 4.4694 7.6317 117.5217 53.3595 34.2616 175.3967 141 E 4.0067 8.4348 120.9375 56.1952 30.6121 177.2205 142 K 3.9351 9.0119 127.4592 59.9260 32.6584 177.9228 143 E 3.9459 8.5233 118.4505 59.6697 29.2450 178.8993 144 V 3.7353 7.5034 116.3219 65.7466 31.3606 178.1066 145 I 3.9506 7.9630 119.9504 64.1930 37.2391 177.9696 146 R 4.0589 8.1186 119.1000 59.6220 29.8379 178.4940 147 V 3.6627 7.9772 117.9788 65.7669 31.5123 177.7620 148 W 3.9878 8.1123 128.1536 60.5918 30.5690 178.0343 149 F 4.2738 8.9755 117.7316 60.4759 38.1476 177.4080 150 C 4.2855 8.1281 116.5377 62.5570 27.9385 175.7763 151 N 4.2130 8.2022 118.5033 56.0360 37.9866 177.4882 152 R 3.0853 7.6053 120.5515 59.1381 29.7862 178.8696 153 R 4.0808 7.7762 119.7377 59.6271 29.7413 179.7811 154 Q 3.9907 7.3167 120.1714 60.0191 28.3574 182.0854 155 K 4.1951 7.9745 121.0166 59.1832 31.9430 179.0434 156 E 3.9377 8.3514 119.9532 59.1620 29.2781 178.8350 157 K 3.9498 7.7886 119.6560 59.4272 32.0749 178.6412 158 R 3.9761 7.6791 116.4537 57.8697 30.0791 177.8290 159 I 4.3898 6.9451 118.9137 61.5274 39.2156 175.5564 160 N 4.9357 8.1434 116.6175 49.8940 39.3373 172.5810 161 P 4.4794 0.0000 0.0000 62.9182 31.1440 177.1792 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 5 D 8.22 4.73 0.00 2.90 2.97 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 6 L 8.15 3.63 0.00 1.85 1.56 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.88 3.90 0.00 2.09 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 0.00 2.42 2.43 0.00 8 E 8.32 3.92 0.00 2.22 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 2.44 2.46 0.00 9 L 7.81 4.18 0.00 1.91 1.88 1.19 0.83 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 10 E 8.13 3.91 0.00 2.16 2.17 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 2.33 2.44 0.00 11 Q 8.60 4.07 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.45 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 12 F 8.33 4.34 0.00 3.21 3.22 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 13 A 7.84 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.55 3.94 0.00 1.91 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.60 7.81 15 T 8.24 3.92 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 16 F 8.28 4.09 0.00 2.64 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 17 K 8.02 4.07 0.00 1.93 1.95 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 18 Q 8.11 4.02 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 19 R 8.39 3.89 0.00 1.82 2.01 0.00 3.25 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 20 R 7.80 3.94 0.00 1.15 1.83 0.00 3.00 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 21 I 7.82 4.05 1.88 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 1.39 1.30 1.04 0.00 0.00 22 K 8.15 3.99 0.00 1.88 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.36 7.81 23 L 8.06 4.44 0.00 2.03 2.08 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.22 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 0.00 0.00 0.00 25 F 8.10 4.83 0.00 3.45 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 26 T 9.20 4.36 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 1.27 0.00 0.00 27 Q 8.67 4.18 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 28 G 8.08 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 29 D 8.41 4.40 0.00 3.24 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 30 V 7.74 3.02 2.05 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 0.01 0.00 0.00 0.86 0.00 0.00 31 G 8.17 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 0.00 0.00 0.00 0.00 32 L 7.87 4.05 0.00 1.80 1.72 0.94 1.62 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 33 A 8.39 4.08 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 34 M 7.85 4.43 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 35 G 7.97 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 36 K 7.45 4.28 0.00 1.89 1.69 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.24 7.81 37 L 7.57 4.46 0.00 1.59 1.36 0.74 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.04 4.62 0.00 2.88 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 39 G 7.67 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 40 N 7.64 4.53 0.00 2.71 2.67 0.00 0.00 6.96 8.47 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 41 D 8.50 4.64 0.00 2.84 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 42 F 8.34 5.24 0.00 2.92 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 43 S 8.65 4.52 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 Q 8.63 3.98 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 45 T 7.93 3.84 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 1.19 0.00 0.00 46 T 7.46 3.77 4.12 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 0.82 0.00 0.00 47 I 7.47 3.73 2.03 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 1.69 1.40 0.99 0.00 0.00 48 S 8.46 4.13 0.00 4.10 4.04 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 49 R 8.29 3.91 0.00 2.09 2.07 0.00 3.15 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 50 F 8.36 4.10 0.00 3.19 3.19 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 51 E 8.51 3.97 0.00 2.29 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 2.64 2.82 0.00 52 A 7.96 4.37 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 53 L 7.12 3.39 0.00 1.73 1.68 0.78 0.78 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 54 N 8.25 4.77 0.00 2.58 2.84 0.00 0.00 6.81 7.74 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 55 L 7.13 4.72 0.00 1.63 1.52 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.39 4.36 0.00 4.09 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 57 F 9.16 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 58 K 8.03 3.81 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.06 7.81 59 N 8.05 4.48 0.00 2.81 2.85 0.00 0.00 7.30 7.17 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 60 M 8.34 4.31 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.83 0.00 61 C 7.68 4.11 0.00 2.78 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 62 K 7.94 4.04 0.00 1.74 2.01 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 63 L 8.11 4.06 0.00 1.91 1.10 1.02 0.25 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 64 K 7.98 3.95 0.00 2.09 1.79 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.02 0.50 7.81 65 P 0.00 3.99 0.00 2.05 1.92 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 2.02 2.09 0.00 66 L 7.52 3.59 0.00 1.56 1.38 0.12 0.43 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 67 L 7.73 3.94 0.00 1.60 1.08 -0.34 0.52 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 68 E 8.94 4.14 0.00 1.16 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 2.22 2.22 0.00 69 K 8.71 3.87 0.00 1.80 2.09 0.00 2.03 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.72 7.81 70 W 8.48 4.30 0.00 3.61 3.58 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 0.00 0.00 0.00 0.00 71 L 8.67 3.76 0.00 2.32 2.19 1.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.19 4.64 0.00 2.79 2.84 0.00 0.00 6.27 9.13 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 73 D 7.71 4.25 0.00 2.63 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 74 A 7.54 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.60 3.85 0.00 2.18 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 2.27 2.45 0.00 *102 R 7.28 4.18 0.00 1.85 1.93 0.00 3.29 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 103 K 8.55 4.15 0.00 1.78 1.71 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.45 7.81 104 K 8.39 4.08 0.00 1.82 1.58 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.00 7.81 105 R 8.46 3.97 0.00 1.77 1.91 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 106 T 8.40 3.94 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 1.22 0.00 0.00 107 S 8.42 4.35 0.00 3.83 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 0.00 108 I 7.99 3.71 1.92 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 1.36 1.06 0.84 0.00 0.00 109 E 8.58 4.15 0.00 2.06 1.78 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 2.36 2.44 0.00 110 T 8.55 3.88 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 1.21 0.00 0.00 111 N 8.07 4.35 0.00 2.78 2.83 0.00 0.00 7.08 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 0.00 112 I 7.62 3.67 1.88 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 1.47 0.81 0.75 0.00 0.00 113 R 8.11 3.62 0.00 2.02 2.11 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 114 V 7.59 3.52 2.25 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 0.76 0.00 0.00 1.03 0.00 0.00 115 A 7.92 4.04 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 0.00 116 L 7.79 3.51 0.00 0.97 0.13 -0.37 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.37 4.30 0.00 2.32 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 2.50 0.00 118 K 8.59 4.03 0.00 1.75 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 119 S 8.52 4.46 0.00 3.97 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 0.00 120 F 8.50 4.76 0.00 3.31 3.46 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 0.00 121 L 8.15 4.13 0.00 1.94 1.77 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.53 4.41 0.00 2.17 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 0.00 2.34 2.52 0.00 123 N 8.15 4.78 0.00 2.71 2.63 0.00 0.00 7.31 7.03 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 0.00 124 Q 8.78 3.35 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.94 0.00 125 K 7.51 4.41 0.00 1.71 1.70 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.43 7.81 126 P 0.00 4.47 0.00 1.81 1.48 0.00 3.56 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 127 T 8.42 4.29 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 1.24 0.00 0.00 128 S 8.61 4.07 0.00 3.87 3.98 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 0.00 129 E 8.14 4.01 0.00 1.99 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 0.00 2.39 2.39 0.00 130 E 8.21 3.96 0.00 2.26 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 2.30 2.32 0.00 131 I 8.16 3.66 2.06 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 1.34 0.74 0.95 0.00 0.00 132 T 8.21 3.85 4.42 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 1.21 0.00 0.00 133 M 8.37 4.04 0.00 1.98 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 134 I 7.93 3.72 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.99 0.94 0.00 0.00 135 A 8.27 4.00 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 0.00 136 D 7.92 4.17 0.00 2.79 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 0.00 137 Q 7.99 4.19 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 138 L 8.14 4.59 0.00 1.75 1.56 0.82 0.39 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 0.00 139 N 7.47 4.13 0.00 3.01 2.96 0.00 0.00 6.78 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 M 7.63 4.47 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.44 0.00 141 E 8.43 4.01 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 2.50 2.32 0.00 142 K 9.01 3.94 0.00 1.84 1.83 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.47 7.81 143 E 8.52 3.95 0.00 2.14 2.16 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 2.41 2.49 0.00 144 V 7.50 3.74 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 1.02 0.00 0.00 1.01 0.00 0.00 145 I 7.96 3.95 2.18 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 1.45 0.30 1.21 0.00 0.00 146 R 8.12 4.06 0.00 1.95 2.01 0.00 3.22 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 147 V 7.98 3.66 2.18 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 1.06 0.00 0.00 1.03 0.00 0.00 148 W 8.11 3.99 0.00 3.49 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 0.00 149 F 8.98 4.27 0.00 3.45 3.26 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 0.00 150 C 8.13 4.29 0.00 3.15 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 0.00 151 N 8.20 4.21 0.00 2.51 2.57 0.00 0.00 6.60 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.61 3.09 0.00 0.67 1.00 0.00 2.25 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 153 R 7.78 4.08 0.00 2.19 2.02 0.00 3.59 0.00 0.00 3.79 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.97 0.00 154 Q 7.32 3.99 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 155 K 7.97 4.20 0.00 1.66 1.73 0.00 1.28 0.00 0.00 1.38 0.00 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.43 7.81 156 E 8.35 3.94 0.00 2.26 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 2.51 2.45 0.00 157 K 7.79 3.95 0.00 2.01 1.84 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 158 R 7.68 3.98 0.00 1.89 1.94 0.00 3.17 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 159 I 6.95 4.39 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 1.50 0.75 0.92 0.00 0.00 160 N 8.14 4.94 0.00 2.64 2.71 0.00 0.00 7.05 8.41 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 0.00 161 P 0.00 4.48 0.00 2.17 2.05 0.00 3.80 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 1.99 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.