NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.5315 8.0433 120.5802 54.5934 43.7912 175.2837 4 K 4.8754 8.8971 121.4644 54.3156 36.5601 173.8032 5 I 4.5959 9.3819 124.3145 59.9160 42.0516 173.9458 6 T 4.7192 8.4691 122.6684 61.8497 70.8738 173.2838 7 V 4.8728 8.8952 127.6095 60.9946 33.0838 175.6143 8 T 4.0895 8.4126 118.3519 61.7682 69.8638 175.3346 9 D 4.3316 8.8181 121.4827 57.7912 40.7362 178.8116 10 D 4.3609 8.1205 118.5900 57.2807 40.5930 178.6423 11 A 4.0228 7.6519 120.5211 54.9378 18.6969 179.2354 12 A 4.1028 8.2490 119.5165 55.1134 18.5062 179.6165 13 K 3.8104 8.1863 118.2312 59.6758 32.0680 178.7475 14 K 4.1377 7.8276 117.6604 58.1988 32.4715 177.5802 15 L 4.7589 7.8502 117.7954 54.7555 42.2845 177.6873 16 Q 4.0373 7.6504 122.4280 58.7579 28.7711 178.6613 17 R 3.8095 7.8328 116.5341 58.6303 30.1034 177.5775 18 Y 4.5486 7.3363 115.7393 59.9429 38.7547 177.8776 19 T 3.8705 8.0201 109.6117 64.3160 68.9537 175.6369 20 D 4.3120 7.9809 120.9477 55.8369 41.0866 176.0225 21 D 4.5930 8.1580 120.2594 52.6947 40.0642 176.3124 22 S 3.6658 8.6612 123.6220 61.7181 63.1765 175.2444 23 N 4.8200 8.8779 117.0062 53.5533 39.5054 174.1400 24 A 5.1987 8.7945 120.2626 50.5299 21.4597 176.9298 25 V 4.3492 8.3629 119.9736 60.9900 35.2258 174.2240 26 L 4.9768 8.2913 126.0925 53.1658 44.1431 175.2569 27 L 5.2799 8.8989 122.5209 53.0389 45.5277 175.6394 28 L 4.7340 9.1897 126.7047 53.8715 42.0395 174.6742 29 D 5.1173 9.1843 126.1376 53.2680 43.2095 174.8087 30 F 4.5852 8.8640 127.5956 56.5456 40.4923 175.3667 31 D 4.7477 8.8024 128.7706 53.9769 39.2927 175.6332 32 D 4.7497 8.2912 118.0116 51.8412 40.8229 177.5560 33 G 4.4467 8.4760 108.2290 44.6313 0.0000 173.8702 34 V 3.8935 7.9255 120.2346 62.8756 32.6037 175.6802 35 G 4.1585 8.9543 113.9851 44.6459 0.0000 174.5112 36 A 4.0724 9.3557 123.6528 55.0207 18.3034 180.5069 37 L 4.1230 8.1604 116.9192 57.7483 41.7396 179.3414 38 S 4.2293 8.1575 112.8748 60.9970 62.0838 175.5833 39 K 4.2023 7.9383 119.1246 56.4542 32.2869 176.7419 40 V 4.0069 7.1716 119.7297 61.5066 33.3532 175.7684 41 G 3.3522 8.1400 117.6090 43.8114 0.0000 172.9709 42 V 3.6429 8.1763 117.7601 63.7430 31.7313 175.7059 43 C 4.5085 8.3064 121.9549 59.2676 30.4229 174.6144 44 S 4.5705 8.4498 123.3362 56.7488 61.3868 176.3770 45 L 4.4423 7.9261 132.9237 54.2801 40.2813 177.2397 46 N 4.6540 7.9072 111.2484 52.4012 38.4631 175.6956 47 S 2.7900 7.4568 110.0142 59.8823 62.0680 170.1121 48 D 4.7061 6.5012 121.5277 52.7476 45.8815 176.1537 49 F 5.3131 8.6461 118.8740 57.7373 40.0536 175.2961 50 R 4.6496 8.8367 116.6392 55.5891 33.2479 173.4270 51 I 4.8531 8.4379 121.6768 60.0866 39.0827 174.7802 52 L 4.9508 8.8723 127.2040 52.6023 44.9796 175.7377 53 V 4.6423 8.3179 122.3166 60.0684 34.1802 175.1102 54 V 4.7743 8.2189 117.4788 59.6765 36.0562 174.3732 55 S 5.7871 8.1955 115.7802 56.2076 65.5232 175.7028 56 K 4.5470 8.7921 119.7698 57.1446 32.0778 177.1633 57 D 4.6687 7.4718 121.0320 52.9284 39.3991 177.8538 *59 D 4.3041 7.7329 118.2272 55.2844 41.3565 173.1967 60 Y 4.9040 7.4218 121.2208 56.6337 40.0719 178.7664 61 K 3.5769 7.1455 119.8335 59.2776 32.1675 177.9962 62 K 3.9034 7.8978 118.2932 59.8916 32.2127 177.8458 63 D 4.5208 7.9434 117.9565 56.5367 42.3107 176.5713 64 Y 4.5990 8.0066 118.9821 57.2025 36.0868 175.3476 65 N 4.7324 7.8900 115.8912 53.0818 38.8174 175.4445 66 E 4.7678 7.9425 118.5313 54.6025 33.7607 174.7621 67 V 4.8624 8.3740 120.1185 61.2363 35.0664 174.5545 68 I 4.7527 8.6244 126.3073 59.5908 40.1743 174.7798 69 D 5.0205 8.6568 127.0268 54.3339 42.2217 175.6286 70 S 5.3869 8.4636 115.0673 57.7007 66.6171 174.8314 71 N 4.6300 9.0254 117.4102 54.2710 37.3266 175.4729 72 I 4.3293 7.8934 111.7187 60.4136 37.9230 174.0320 73 G 3.6414 7.1542 107.3415 44.3296 0.0000 173.4933 74 K 4.7711 8.1852 118.1655 55.5701 33.8850 176.6482 75 F 4.9192 8.4973 119.9743 56.1652 42.3282 173.9471 76 Y 5.2966 9.3303 122.2751 57.2241 40.3242 174.3163 77 Y 5.6311 8.8858 119.0637 55.7487 42.3969 174.2378 78 K 4.6424 8.4184 120.0489 55.8160 32.5012 177.7731 79 G 3.7877 9.3606 114.5771 49.0245 0.0000 174.7278 80 Y 4.2055 8.2981 118.8359 59.4454 37.6891 178.1008 81 S 3.9751 6.6291 112.3575 59.2651 63.1135 175.5038 82 K 4.0329 7.8375 126.1872 56.4157 31.0251 176.0896 *84 Y 4.5373 7.6563 110.1323 57.7519 39.4758 175.0558 *86 D 4.3816 7.9442 117.0580 53.9233 42.4432 174.6858 87 D 4.5185 8.4824 123.1343 56.5683 42.1955 175.8176 88 N 5.4328 7.7803 115.6745 50.2542 42.5922 173.2836 *90 K 4.4645 8.4640 125.1878 56.3766 34.3751 174.0610 91 I 5.0426 8.4273 127.1302 59.6893 39.8989 174.8309 92 S 5.1578 8.8491 121.2333 56.4581 67.1257 171.9598 93 L 4.9433 8.2098 121.1329 53.0364 43.4092 175.8673 94 N 4.5880 8.9028 124.8062 53.8510 38.5326 175.6627 95 T 4.1347 8.5996 112.6417 63.9721 69.8292 175.9246 96 N 4.4753 8.2559 119.1797 55.0799 38.9388 173.9545 97 N 5.1098 7.7639 112.3535 50.9875 40.2859 173.7394 98 S 4.5942 8.4818 110.4763 58.4300 63.2956 173.9234 99 L 4.5070 8.2577 121.9755 54.4724 43.4838 176.1084 100 L 4.9638 8.0582 120.0063 54.0601 44.0873 175.7595 101 R 4.8269 8.9803 120.1324 54.4776 33.7988 173.6921 102 L 5.1713 8.5154 127.1087 53.6008 44.3111 174.9104 103 T 5.0723 8.9559 116.8155 59.7646 72.0141 173.5199 104 G 4.1929 8.9791 109.3619 44.2894 0.0000 174.0019 105 D 4.5333 8.8697 122.0152 56.3496 40.9893 177.4071 106 N 4.9140 8.0523 112.4180 52.9551 40.4813 175.2841 107 S 4.5883 8.2574 112.5365 57.4402 65.5165 176.4356 108 G 3.8607 8.0630 108.4876 45.2764 0.0000 173.5101 109 E 4.1872 8.7608 123.9061 56.8510 29.5984 176.6306 110 L 4.4375 8.6386 124.0407 54.7194 42.2710 175.4741 *112 P 4.4378 0.0000 0.0000 62.0961 33.5017 176.4315 113 A 4.6634 7.9043 120.4831 49.6616 19.2583 173.4958 114 L 4.3612 9.3612 123.0585 54.4473 43.3834 176.3440 115 S 4.5577 8.5952 121.5902 57.6540 65.6502 172.7366 116 I 4.9009 8.0766 119.9301 59.5281 40.0392 175.1163 117 Q 4.2961 9.1332 126.0813 53.9381 31.4665 174.2348 118 D 4.5887 8.5986 124.5575 52.9424 41.4919 175.1627 119 F 5.3102 8.5983 124.7269 57.3288 39.8707 176.6966 120 R 4.1378 8.4609 118.6528 56.1710 30.5041 176.7667 121 E 4.1979 8.1236 120.4518 56.7835 29.4513 176.7260 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 3 L 8.04 4.53 0.00 1.60 1.50 0.89 -0.03 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 4 K 8.90 4.88 0.00 1.61 1.61 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.47 7.81 5 I 9.38 4.60 1.79 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.82 0.74 0.00 0.00 6 T 8.47 4.72 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 1.20 0.00 0.00 7 V 8.90 4.87 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 0.85 0.00 0.00 1.06 0.00 0.00 8 T 8.41 4.09 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 1.20 0.00 0.00 9 D 8.82 4.33 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 10 D 8.12 4.36 0.00 2.69 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 11 A 7.65 4.02 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 12 A 8.25 4.10 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 13 K 8.19 3.81 0.00 1.99 2.00 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 14 K 7.83 4.14 0.00 1.77 2.01 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.51 7.81 15 L 7.85 4.76 0.00 1.93 1.76 1.04 0.72 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 16 Q 7.65 4.04 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.76 0.00 0.00 0.00 0.00 0.00 2.51 2.26 0.00 17 R 7.83 3.81 0.00 1.08 1.61 0.00 3.29 0.00 0.00 3.12 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 18 Y 7.34 4.55 0.00 3.08 2.88 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 19 T 8.02 3.87 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 1.19 0.00 0.00 20 D 7.98 4.31 0.00 2.72 2.73 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 21 D 8.16 4.59 0.00 2.68 2.71 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 22 S 8.66 3.67 0.00 3.90 3.95 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 0.00 0.00 0.00 23 N 8.88 4.82 0.00 2.78 2.83 0.00 0.00 6.87 9.27 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 24 A 8.79 5.20 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 25 V 8.36 4.35 1.51 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 0.51 0.00 0.00 0.74 0.00 0.00 26 L 8.29 4.98 0.00 1.33 1.27 0.46 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.90 5.28 0.00 1.31 1.21 0.15 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 28 L 9.19 4.73 0.00 1.53 1.72 0.81 0.97 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 29 D 9.18 5.12 0.00 3.04 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 30 F 8.86 4.59 0.00 2.97 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 31 D 8.80 4.75 0.00 2.70 2.34 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 32 D 8.29 4.75 0.00 2.81 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 33 G 8.48 4.45 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 0.00 34 V 7.93 3.89 2.41 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 0.79 0.00 0.00 0.96 0.00 0.00 35 G 8.95 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 36 A 9.36 4.07 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 0.00 0.00 37 L 8.16 4.12 0.00 2.14 1.98 1.30 0.90 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 38 S 8.16 4.23 0.00 4.00 4.09 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 39 K 7.94 4.20 0.00 1.96 1.83 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.48 7.81 40 V 7.17 4.01 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 0.35 0.00 0.00 0.86 0.00 0.00 41 G 8.14 3.35 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 0.00 42 V 8.18 3.64 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 0.87 0.00 0.00 1.02 0.00 0.00 43 C 8.31 4.51 0.00 2.97 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 44 S 8.45 4.57 0.00 3.97 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 45 L 7.93 4.44 0.00 1.60 1.64 0.91 1.15 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 46 N 7.91 4.65 0.00 2.74 2.82 0.00 0.00 6.55 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 47 S 7.46 2.79 0.00 3.50 3.68 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 48 D 6.50 4.71 0.00 2.39 2.45 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 49 F 8.65 5.31 0.00 3.01 2.93 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 50 R 8.84 4.65 0.00 1.87 1.99 0.00 2.73 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 51 I 8.44 4.85 1.81 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 1.23 1.18 0.99 0.00 0.00 52 L 8.87 4.95 0.00 1.41 1.30 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.32 4.64 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 0.56 0.00 0.00 0.84 0.00 0.00 54 V 8.22 4.77 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 0.79 0.00 0.00 0.53 0.00 0.00 55 S 8.20 5.79 0.00 3.86 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 56 K 8.79 4.55 0.00 1.68 1.93 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.64 7.81 57 D 7.47 4.67 0.00 2.76 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 *59 D 7.73 4.30 0.00 2.66 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 60 Y 7.42 4.90 0.00 3.23 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 61 K 7.15 3.58 0.00 1.44 1.68 0.00 1.02 0.00 0.00 1.11 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.31 1.03 7.81 62 K 7.90 3.90 0.00 1.70 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.55 7.81 63 D 7.94 4.52 0.00 2.63 2.40 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 64 Y 8.01 4.60 0.00 3.49 3.28 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 0.00 65 N 7.89 4.73 0.00 2.81 3.06 0.00 0.00 6.14 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 66 E 7.94 4.77 0.00 1.16 1.29 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 2.11 2.03 0.00 67 V 8.37 4.86 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 0.53 0.00 0.00 0.78 0.00 0.00 68 I 8.62 4.75 2.05 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.05 0.85 0.00 0.00 69 D 8.66 5.02 0.00 2.60 2.58 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 70 S 8.46 5.39 0.00 3.99 4.18 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 71 N 9.03 4.63 0.00 2.86 2.99 0.00 0.00 5.84 7.81 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 72 I 7.89 4.33 1.85 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 1.28 0.61 0.94 0.00 0.00 73 G 7.15 3.64 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 0.00 0.00 0.00 74 K 8.19 4.77 0.00 1.58 1.35 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.41 7.81 75 F 8.50 4.92 0.00 2.93 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 76 Y 9.33 5.30 0.00 3.02 3.33 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 0.00 77 Y 8.89 5.63 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 78 K 8.42 4.64 0.00 1.29 1.34 0.00 2.12 0.00 0.00 1.55 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.05 0.69 7.81 79 G 9.36 3.79 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 0.00 0.00 0.00 80 Y 8.30 4.21 0.00 3.03 3.10 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 81 S 6.63 3.98 0.00 3.80 3.61 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 0.00 0.00 0.00 0.00 82 K 7.84 4.03 0.00 2.17 1.89 0.00 2.19 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.50 7.81 *84 Y 7.66 4.54 0.00 2.97 2.92 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 *86 D 7.94 4.38 0.00 2.58 2.52 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 0.00 0.00 0.00 0.00 87 D 8.48 4.52 0.00 2.61 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 88 N 7.78 5.43 0.00 2.76 2.74 0.00 0.00 7.28 6.73 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 *90 K 8.46 4.46 0.00 1.85 1.64 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.59 7.81 91 I 8.43 5.04 1.84 0.00 0.00 0.57 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 0.90 0.90 0.00 0.00 92 S 8.85 5.16 0.00 3.84 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 0.00 93 L 8.21 4.94 0.00 1.64 1.58 0.99 0.95 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 94 N 8.90 4.59 0.00 2.96 2.74 0.00 0.00 7.09 8.22 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 95 T 8.60 4.13 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 96 N 8.26 4.48 0.00 2.74 2.91 0.00 0.00 6.69 8.00 0.00 0.00 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 7.76 5.11 0.00 2.76 2.80 0.00 0.00 5.98 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 98 S 8.48 4.59 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 99 L 8.26 4.51 0.00 1.87 1.62 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.06 4.96 0.00 1.80 1.58 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.98 4.83 0.00 2.00 1.68 0.00 3.01 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 102 L 8.52 5.17 0.00 1.63 1.38 0.67 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.96 5.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 104 G 8.98 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 0.00 0.00 0.00 0.00 105 D 8.87 4.53 0.00 2.65 2.73 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 0.00 106 N 8.05 4.91 0.00 2.82 2.81 0.00 0.00 6.88 7.45 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 0.00 107 S 8.26 4.59 0.00 3.85 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 0.00 108 G 8.06 3.86 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 0.00 0.00 0.00 109 E 8.76 4.19 0.00 1.98 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 2.31 2.33 0.00 110 L 8.64 4.44 0.00 1.67 1.72 0.75 1.09 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 *112 P 0.00 4.44 0.00 2.10 2.42 0.00 3.73 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 1.90 2.00 0.00 113 A 7.90 4.66 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 0.00 114 L 9.36 4.36 0.00 1.74 1.60 0.94 1.01 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 0.00 115 S 8.60 4.56 0.00 3.92 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 0.00 116 I 8.08 4.90 1.82 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 1.30 0.66 0.56 0.00 0.00 117 Q 9.13 4.30 0.00 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 118 D 8.60 4.59 0.00 2.70 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 0.00 119 F 8.60 5.31 0.00 2.98 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 0.00 120 R 8.46 4.14 0.00 1.97 1.90 0.00 3.32 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 121 E 8.12 4.20 0.00 1.99 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 0.00 2.37 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.