NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.9136 7.9876 118.3404 58.0559 39.2204 174.8544 4 K 4.5097 9.5703 120.9796 55.6135 34.5452 174.7137 5 N 4.9300 9.5703 122.0481 53.0531 41.7649 173.6503 6 I 4.6540 8.7077 127.9872 60.1906 39.1064 174.8176 7 L 4.8362 9.1824 130.2025 54.5609 43.4414 175.1518 8 T 5.1879 9.0198 123.6861 61.7949 71.2795 173.3141 9 L 5.4528 9.1545 126.3504 53.0694 45.0134 175.4468 10 I 5.6645 9.0077 122.5544 59.4510 42.2934 173.9107 11 S 4.9191 8.7480 123.1521 57.4788 64.9182 172.7366 12 V 5.0418 7.8935 118.8678 58.6457 35.9607 175.0824 13 N 4.3795 9.4081 119.6817 52.9511 39.1722 176.2716 14 N 4.2004 8.7674 118.1199 56.7589 38.6487 176.7807 15 D 4.6311 7.9699 114.1207 54.6831 39.8916 176.6574 16 N 4.9170 8.0120 117.3023 53.2836 39.3083 176.4388 17 F 4.6495 7.7615 120.4670 60.7353 39.2227 176.8281 18 E 4.0228 8.4097 118.1322 59.6071 29.3445 178.4369 19 N 4.3980 8.2829 115.8272 56.7003 38.6238 176.9418 20 Y 3.7796 8.4825 118.1090 60.9974 37.9404 178.5249 21 F 3.6083 8.9779 119.2770 60.3507 38.9534 177.9551 22 R 4.1334 8.0888 117.4877 59.0177 29.7278 179.0282 23 K 3.7943 7.5817 119.5504 59.2786 32.0594 178.6998 24 I 3.3031 7.2459 121.7856 63.7590 36.9067 178.4299 25 F 4.2756 7.7949 118.1404 60.3971 38.6417 177.8459 26 L 4.0276 8.0059 118.7746 58.0069 41.5908 179.3053 27 D 4.3755 8.4359 119.2076 57.2437 40.4944 179.0293 28 V 3.6358 7.9368 118.3196 66.0398 31.9689 177.9593 29 R 4.1446 8.3116 117.9510 59.5570 29.7207 179.2977 30 S 4.2565 8.1388 114.0104 61.3607 62.8649 176.5168 31 S 4.4056 7.7627 115.6246 59.8190 62.9141 175.3951 32 G 4.0275 8.1114 110.4974 45.1421 0.0000 173.7545 33 S 4.6306 7.5445 113.1415 57.5455 63.1756 173.6905 34 K 4.6700 8.6113 123.0562 56.3385 33.8289 175.7770 35 K 5.3476 8.2872 119.6450 55.2043 36.8023 175.1785 36 T 5.1047 8.9610 115.9072 61.3776 71.6157 172.1360 37 T 4.9600 9.1041 123.2800 60.7021 69.4931 172.9204 38 I 4.8206 9.0871 131.3852 60.1787 39.1742 174.5614 39 N 5.4808 9.5940 125.6060 51.5696 41.1267 173.8562 40 V 4.6938 8.7895 125.1174 61.3337 33.6797 174.6885 41 F 5.3260 9.2002 128.5228 56.9625 38.5436 174.9936 42 T 4.8252 8.8107 117.3956 61.2736 71.0600 173.7754 43 E 4.4469 8.9253 123.0633 56.6052 30.3756 176.9296 44 I 4.1126 7.2993 112.1008 60.1700 38.7948 176.3186 45 Q 4.2949 8.2362 119.9865 55.2791 30.7593 176.6087 46 Y 3.9326 8.5119 122.7258 61.3161 38.9028 178.7317 47 Q 3.8424 8.1635 118.1933 58.8954 28.8178 178.4279 48 E 3.8584 7.9602 119.8884 58.8759 29.7928 178.3599 49 L 3.5116 7.5904 120.3992 58.1468 41.9161 179.0934 50 V 3.2207 6.9912 116.5596 66.1297 31.4173 177.7635 51 T 3.9163 7.5667 115.1568 66.6040 68.0670 176.6351 52 L 4.1400 7.6102 119.9350 56.8615 41.8668 178.6232 53 I 4.9931 7.2710 112.9075 60.0294 38.1865 177.4002 54 R 3.7730 7.3364 121.5725 60.4487 29.8011 177.7831 55 E 3.8552 8.1030 117.9231 59.1842 29.5182 178.2893 56 A 4.0316 7.5090 119.2578 55.3660 18.7893 179.3486 57 L 3.7946 7.9672 117.3965 57.6340 41.4259 179.3756 58 L 3.9439 7.7987 119.5845 58.0405 42.1091 178.1865 59 E 4.2944 7.8033 115.4370 56.8877 30.1691 176.2474 60 N 4.9400 7.8374 117.6053 52.5615 39.7828 176.8362 61 I 3.7563 8.0148 121.0240 64.3880 37.4550 177.1003 62 D 4.6524 7.9634 116.7232 53.6290 39.6572 175.5906 63 I 4.2233 7.4603 121.8487 60.6026 38.5509 177.0126 64 G 4.0494 9.4173 116.0082 45.2400 0.0000 171.8488 65 Y 6.3000 8.1005 123.1545 54.5603 41.5504 175.1856 66 E 4.7211 8.7885 117.1319 54.6658 33.3204 173.8788 67 L 5.2628 8.4219 121.9662 53.0942 44.3005 175.7279 68 F 4.6014 9.2834 121.9663 55.5745 42.4297 173.8327 69 L 4.9014 8.1104 123.2004 52.7590 44.0417 175.9608 70 W 5.3389 8.9685 122.3460 54.8460 32.8339 175.7457 71 K 5.0347 10.3416 124.2645 54.9476 32.3897 178.1389 72 K 4.1051 9.1914 120.9785 59.9289 32.2181 177.5218 73 N 4.8376 8.2541 114.1732 53.0452 37.8471 175.3832 74 E 4.7185 8.5549 118.1714 56.6898 29.9190 177.7497 75 V 3.7829 7.9424 121.7082 66.0641 31.5507 177.6478 76 D 4.3055 8.1116 118.5508 56.2195 39.2478 178.6229 77 I 3.6225 7.5176 121.2309 63.9884 37.0030 177.8895 78 F 3.2102 7.2610 120.8596 61.1013 38.8710 177.0182 79 L 3.3918 7.5952 117.1360 57.3251 41.6282 179.1558 80 K 3.9630 7.8530 119.5963 59.5925 32.1884 178.7269 81 N 4.3350 8.0525 116.4758 55.9287 38.3677 177.2266 82 L 3.9423 7.1816 120.3612 57.1418 41.3260 179.0445 83 E 4.0447 7.8760 118.0015 58.2221 29.3054 177.7246 84 K 4.4503 7.6057 116.5507 55.8863 32.4971 176.3548 85 S 4.6715 7.6103 114.1925 57.7148 64.1427 173.4400 86 E 4.7578 8.3157 119.0030 56.1184 30.4646 176.9583 87 V 4.0631 7.9974 111.6867 61.7939 32.1221 175.7432 88 D 5.0714 8.8800 120.9687 53.0321 40.5425 175.5852 89 G 4.2035 7.8783 105.3784 45.1839 0.0000 171.7666 90 L 5.4078 8.7003 123.0855 52.9641 45.6516 175.0609 91 L 5.0761 9.0848 125.9171 52.8334 45.0545 175.5212 92 V 4.8438 8.2582 122.8934 61.2937 34.8337 173.8558 93 Y 5.6371 8.9719 124.5329 56.8554 42.3605 171.7773 94 C 5.7407 9.2128 115.5607 56.0946 40.9780 171.8073 95 D 5.0188 8.0584 118.4889 51.3414 42.1960 176.6794 96 D 4.3686 8.7730 117.1995 57.6771 40.8171 179.1617 97 E 4.0286 8.1926 116.7050 58.5919 29.2075 177.2810 98 N 5.0411 8.0969 114.0822 52.6419 39.7696 176.1423 99 K 3.9863 7.9976 121.6508 59.5900 32.7766 178.3824 100 V 3.7038 7.9521 118.1344 66.0651 31.8641 177.9432 101 F 4.4640 7.7591 118.3053 59.3575 38.7993 176.4783 *103 S 4.3555 8.1215 117.1937 58.1400 64.5408 176.3730 104 K 4.0677 7.7015 118.2131 59.2385 31.9498 179.2843 105 I 3.5861 7.1905 119.8418 64.2425 36.9576 178.5184 106 V 3.5257 7.5239 118.4959 66.2410 31.1406 177.5357 107 D 4.4368 8.0365 117.2987 56.6606 40.6078 177.6008 108 N 4.7937 7.4125 114.3753 51.9732 39.2397 175.1222 109 L 4.1997 7.1244 120.9496 53.5497 42.5360 175.8920 110 P 4.3014 0.0000 0.0000 62.8500 33.1214 177.4470 111 T 3.8486 8.6471 118.8480 67.2169 68.2442 176.5465 112 A 4.0411 7.9178 120.0932 55.0298 18.7670 179.3393 113 I 3.8935 7.6011 117.9385 64.3049 37.3481 178.1275 114 K 3.8923 8.2663 120.7777 59.6288 31.7501 178.6521 115 R 3.9533 7.9094 117.8757 59.1462 30.1602 176.3948 116 N 4.7976 7.8780 115.1290 53.1037 38.5829 174.2575 117 L 4.4052 7.4851 121.7155 55.7213 42.3887 176.4089 118 I 4.1944 8.7883 127.5803 62.9961 38.4304 176.4448 119 K 4.4955 7.5498 121.4090 55.0077 35.8415 174.4484 120 D 4.8651 8.6338 125.7422 52.3522 42.9660 174.7953 121 F 4.3296 8.5309 132.2261 55.8927 37.5471 173.0823 122 C 4.9194 7.9126 123.2365 57.2258 52.5688 175.7154 123 R 3.7541 8.7974 121.1447 59.0168 29.9663 178.0960 124 K 4.2979 7.7072 113.8313 56.1721 32.5617 176.8200 125 L 4.0040 7.4446 120.3415 54.5663 42.1323 177.2859 126 S 4.3430 8.4315 115.8858 58.4804 63.2716 173.9522 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 Y 7.99 4.91 0.00 3.30 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 4 K 9.57 4.51 0.00 1.76 1.91 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.51 7.81 5 N 9.57 4.93 0.00 2.94 2.78 0.00 0.00 7.05 7.59 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 6 I 8.71 4.65 1.92 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.90 0.00 0.00 7 L 9.18 4.84 0.00 1.82 1.74 1.25 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 T 9.02 5.19 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 1.25 0.00 0.00 9 L 9.15 5.45 0.00 1.64 1.73 1.00 0.60 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 10 I 9.01 5.66 1.93 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 1.23 1.57 1.00 0.00 0.00 11 S 8.75 4.92 0.00 4.16 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 12 V 7.89 5.04 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.22 0.00 0.00 13 N 9.41 4.38 0.00 2.60 2.62 0.00 0.00 7.38 7.12 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 14 N 8.77 4.20 0.00 2.75 2.98 0.00 0.00 6.63 8.08 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 15 D 7.97 4.63 0.00 2.77 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 16 N 8.01 4.92 0.00 2.62 2.77 0.00 0.00 6.91 7.65 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 17 F 7.76 4.65 0.00 3.18 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 18 E 8.41 4.02 0.00 2.32 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 2.41 2.52 0.00 19 N 8.28 4.40 0.00 2.91 2.86 0.00 0.00 7.06 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 20 Y 8.48 3.78 0.00 3.24 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 21 F 8.98 3.61 0.00 3.27 3.17 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 22 R 8.09 4.13 0.00 2.05 2.00 0.00 3.14 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.97 0.00 23 K 7.58 3.79 0.00 1.48 1.56 0.00 0.89 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.42 1.22 7.81 24 I 7.25 3.30 1.20 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.08 0.28 0.00 0.00 25 F 7.79 4.28 0.00 3.09 3.20 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 0.00 26 L 8.01 4.03 0.00 1.85 1.71 0.89 1.10 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 27 D 8.44 4.38 0.00 2.89 2.77 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 28 V 7.94 3.64 2.31 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 0.95 0.00 0.00 0.97 0.00 0.00 29 R 8.31 4.14 0.00 2.12 2.01 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 30 S 8.14 4.26 0.00 4.02 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 31 S 7.76 4.41 0.00 3.99 4.07 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 0.00 0.00 0.00 0.00 32 G 8.11 4.03 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 0.00 33 S 7.54 4.63 0.00 4.11 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 34 K 8.61 4.67 0.00 1.76 1.85 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.42 7.81 35 K 8.29 5.35 0.00 1.91 1.78 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 36 T 8.96 5.10 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 1.37 0.00 0.00 37 T 9.10 4.96 4.56 0.00 0.00 0.00 0.00 0.00 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 38 I 9.09 4.82 2.02 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.85 0.00 0.00 39 N 9.59 5.48 0.00 2.62 2.52 0.00 0.00 6.05 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 40 V 8.79 4.69 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 1.01 0.00 0.00 1.07 0.00 0.00 41 F 9.20 5.33 0.00 3.21 3.44 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 0.00 42 T 8.81 4.83 4.63 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 1.35 0.00 0.00 43 E 8.93 4.45 0.00 2.03 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 2.27 2.23 0.00 44 I 7.30 4.11 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.50 1.05 0.00 0.00 45 Q 8.24 4.29 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 46 Y 8.51 3.93 0.00 2.97 2.91 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 47 Q 8.16 3.84 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 48 E 7.96 3.86 0.00 2.00 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 0.00 2.35 2.33 0.00 49 L 7.59 3.51 0.00 1.39 1.39 -0.37 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 50 V 6.99 3.22 1.67 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 0.70 0.00 0.00 0.02 0.00 0.00 51 T 7.57 3.92 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 1.16 0.00 0.00 52 L 7.61 4.14 0.00 1.72 1.77 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.27 4.99 1.54 0.00 0.00 -0.37 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 0.74 0.53 0.00 0.00 54 R 7.34 3.77 0.00 1.98 1.94 0.00 3.06 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 55 E 8.10 3.86 0.00 2.10 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 2.37 2.52 0.00 56 A 7.51 4.03 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 57 L 7.97 3.79 0.00 1.78 1.71 0.80 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.80 3.94 0.00 1.68 1.87 0.89 0.89 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 59 E 7.80 4.29 0.00 1.93 1.92 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 2.30 2.53 0.00 60 N 7.84 4.94 0.00 1.46 1.85 0.00 0.00 6.92 6.80 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 61 I 8.01 3.76 1.85 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 1.47 0.68 0.90 0.00 0.00 62 D 7.96 4.65 0.00 2.79 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 63 I 7.46 4.22 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.92 1.32 0.00 0.00 64 G 9.42 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.10 6.30 0.00 3.14 3.23 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 66 E 8.79 4.72 0.00 1.72 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 0.00 2.40 2.55 0.00 67 L 8.42 5.26 0.00 1.62 1.66 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.28 4.60 0.00 3.07 2.39 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 69 L 8.11 4.90 0.00 1.33 1.46 0.90 0.87 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 70 W 8.97 5.34 0.00 3.02 3.11 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 71 K 10.34 5.03 0.00 1.98 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.54 7.81 72 K 9.19 4.11 0.00 1.62 1.77 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.41 7.81 73 N 8.25 4.84 0.00 2.92 3.01 0.00 0.00 5.90 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 74 E 8.55 4.72 0.00 2.51 2.35 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 2.42 2.47 0.00 75 V 7.94 3.78 2.15 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 1.14 0.00 0.00 1.08 0.00 0.00 76 D 8.11 4.31 0.00 2.89 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 77 I 7.52 3.62 1.86 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 1.05 0.00 0.00 78 F 7.26 3.21 0.00 1.51 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 79 L 7.60 3.39 0.00 1.50 1.54 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.85 3.96 0.00 1.88 1.86 0.00 1.57 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.46 7.81 81 N 8.05 4.33 0.00 2.80 2.74 0.00 0.00 7.06 6.35 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 82 L 7.18 3.94 0.00 1.53 1.52 0.45 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.88 4.04 0.00 1.94 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 0.00 2.26 2.39 0.00 84 K 7.61 4.45 0.00 1.71 1.79 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.31 7.81 85 S 7.61 4.67 0.00 4.00 3.82 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 86 E 8.32 4.76 0.00 1.96 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 0.00 2.21 2.30 0.00 87 V 8.00 4.06 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 0.80 0.00 0.00 0.97 0.00 0.00 88 D 8.88 5.07 0.00 2.74 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 89 G 7.88 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 0.00 0.00 0.00 0.00 90 L 8.70 5.41 0.00 1.76 1.61 1.00 0.49 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 91 L 9.08 5.08 0.00 1.66 1.49 0.99 0.46 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 92 V 8.26 4.84 1.96 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 1.02 0.00 0.00 0.89 0.00 0.00 93 Y 8.97 5.64 0.00 3.02 3.21 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 94 C 9.21 5.74 0.00 3.08 3.06 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 95 D 8.06 5.02 0.00 2.78 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 96 D 8.77 4.37 0.00 2.72 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 97 E 8.19 4.03 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 2.30 2.32 0.00 98 N 8.10 5.04 0.00 2.99 2.88 0.00 0.00 6.46 7.14 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 99 K 8.00 3.99 0.00 1.79 1.83 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.35 7.81 100 V 7.95 3.70 2.12 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 0.93 0.00 0.00 0.94 0.00 0.00 101 F 7.76 4.46 0.00 3.20 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 *103 S 8.12 4.36 0.00 4.08 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 0.00 104 K 7.70 4.07 0.00 1.79 1.78 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.58 7.81 105 I 7.19 3.59 1.34 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 0.65 0.07 0.48 0.00 0.00 106 V 7.52 3.53 2.14 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 1.03 0.00 0.00 0.84 0.00 0.00 107 D 8.04 4.44 0.00 2.80 2.69 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 0.00 0.00 0.00 0.00 108 N 7.41 4.79 0.00 2.63 2.77 0.00 0.00 7.04 7.86 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 0.00 109 L 7.12 4.20 0.00 1.71 1.59 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.30 0.00 2.11 1.92 0.00 3.56 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 2.01 2.09 0.00 111 T 8.65 3.85 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 0.00 112 A 7.92 4.04 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 0.00 0.00 0.00 0.00 0.00 113 I 7.60 3.89 1.99 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 1.53 1.07 0.94 0.00 0.00 114 K 8.27 3.89 0.00 1.87 1.93 0.00 1.62 0.00 0.00 1.55 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.44 7.81 115 R 7.91 3.95 0.00 1.95 2.19 0.00 3.32 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 116 N 7.88 4.80 0.00 3.03 2.98 0.00 0.00 6.57 6.46 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 0.00 117 L 7.49 4.41 0.00 1.68 1.58 0.96 0.94 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 0.00 118 I 8.79 4.19 1.78 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.57 0.80 0.00 0.00 119 K 7.55 4.50 0.00 1.72 1.45 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.42 7.81 120 D 8.63 4.87 0.00 2.60 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 0.00 0.00 0.00 0.00 121 F 8.53 4.33 0.00 3.08 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 0.00 122 C 7.91 4.92 0.00 3.05 3.05 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 0.00 0.00 0.00 0.00 123 R 8.80 3.75 0.00 1.78 1.95 0.00 3.15 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 124 K 7.71 4.30 0.00 1.66 1.78 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.40 7.81 125 L 7.44 4.00 0.00 1.67 1.48 0.78 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.43 4.34 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.