NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3510 8.1733 120.0849 56.0281 34.9827 175.1498 4 I 4.3306 7.3574 120.0112 59.0388 38.9424 173.3082 5 R 5.5389 9.2822 128.1753 54.0723 33.0035 174.7441 6 I 5.5801 7.8925 117.8994 58.2454 40.5613 174.7226 7 K 4.4102 8.5610 126.6713 55.9668 33.9141 176.4658 8 L 5.4468 8.3506 122.6190 52.2910 44.5522 176.2606 9 R 4.6367 9.5341 123.3586 53.9230 33.0948 175.9185 10 G 3.8257 7.1553 105.5707 46.0480 0.0000 171.5090 11 F 5.2279 8.2550 116.7128 59.2577 41.7590 174.6722 12 D 4.5866 8.1362 120.2383 54.2462 41.5179 176.0924 13 H 4.5903 8.6739 121.5763 56.5179 29.2817 176.6395 14 K 4.0751 7.6210 123.0504 59.0547 32.4083 178.2267 15 T 3.9951 7.6250 109.4589 64.4141 69.1577 176.2748 16 L 4.1106 7.7950 121.0658 56.3333 42.0788 177.2485 17 D 4.6086 7.8210 116.5830 56.6658 42.0510 177.7676 18 A 3.9868 7.6918 122.7388 55.1472 18.4845 178.9579 19 S 4.4278 8.1371 107.3076 59.2002 63.3913 174.9632 20 A 4.5830 7.5052 121.8516 52.3310 19.6311 177.1157 21 Q 4.3584 7.6750 116.5005 56.4282 30.2616 176.8891 22 K 4.1308 7.7845 120.6452 59.4235 32.3324 178.6513 23 I 4.1652 7.6028 118.7360 61.5267 36.8294 176.8621 24 V 4.3882 7.6546 118.3209 61.7764 34.0588 175.7766 25 E 4.5013 8.1200 117.9315 56.4887 30.2773 176.8363 26 A 4.5004 7.8930 117.9054 52.1894 19.6354 177.3547 27 A 5.0507 7.5723 120.6159 52.3285 20.3105 179.2124 28 R 3.9212 7.9083 115.3361 58.7579 30.4928 177.4953 29 R 4.1725 7.5112 115.4154 57.2521 30.4814 176.6171 30 S 4.7885 7.8478 111.8267 58.6295 64.5992 172.8670 31 G 4.0660 8.4552 110.8953 44.4978 0.0000 178.0602 32 A 4.1794 9.0106 122.9680 52.0597 18.9800 177.4651 33 Q 4.2511 8.5738 118.0040 56.0218 30.6726 175.8631 34 V 4.6898 8.0211 119.9920 61.1038 34.0640 174.3327 35 S 4.0538 8.7267 124.2820 58.6587 63.0670 174.6921 36 G 3.8583 8.7846 113.7505 43.7510 0.0000 169.5423 37 P 4.3548 0.0000 0.0000 63.1159 31.7575 176.0647 38 I 4.4349 8.7603 120.0061 58.6362 39.8355 173.1432 39 P 5.0055 0.0000 0.0000 61.4430 31.7340 175.0128 40 L 4.6954 8.3338 125.3567 53.1346 42.5594 174.6831 41 P 4.2217 0.0000 0.0000 63.9475 31.3625 175.7869 42 T 4.2902 8.3187 118.1099 63.3562 69.5438 174.7161 43 R 4.3243 8.6552 126.0725 55.0657 30.6207 176.3156 44 V 4.0955 8.1527 123.9583 62.4720 32.7872 176.5167 45 R 4.6283 7.5879 122.1266 55.0970 31.4540 173.5962 46 R 4.4005 7.8301 118.4309 54.2001 31.2255 176.6166 47 F 5.0466 7.7389 118.6919 55.2712 41.0845 173.9545 48 T 4.9059 8.7156 118.3812 61.8584 70.5773 173.8460 49 V 4.4659 8.4622 125.8266 60.6597 34.8749 174.8032 50 I 4.0373 8.5014 128.6183 61.4787 37.3783 175.7188 51 R 4.0757 9.0646 125.6258 59.2061 30.1898 177.8373 52 G 3.8306 8.0397 107.0841 44.9052 0.0000 172.4082 53 P 4.4121 0.0000 0.0000 64.0145 32.8199 176.2173 54 F 4.7387 8.0688 118.4912 58.1463 40.3129 176.8166 55 K 4.3925 8.5347 116.8122 54.9259 33.5764 175.4057 56 H 4.9359 7.7813 119.4896 53.5296 29.8615 174.3975 57 K 4.1155 8.1203 120.3511 58.4824 33.1561 177.9130 58 D 4.7981 7.8802 121.4653 56.0591 41.4977 178.7353 59 S 3.7817 7.3040 111.7298 60.0123 60.8171 173.5951 60 R 4.5632 7.5910 125.1514 55.4490 32.3892 175.4829 61 E 4.6352 8.6018 117.5947 54.9935 32.8809 174.7436 62 H 4.9667 8.3911 120.7810 53.7691 31.9434 172.0966 63 F 5.2113 8.4862 117.5181 55.7929 43.1889 173.2978 64 E 4.4609 8.7338 117.2327 54.6137 31.7697 175.8284 65 L 4.3087 7.7310 121.6442 53.6767 44.1872 174.5901 66 R 4.3591 8.3630 124.6485 55.3693 30.6412 176.7844 67 T 4.6598 8.4537 123.1221 62.8391 68.7945 173.6473 68 H 4.7502 8.6733 123.7194 54.8331 29.0359 175.1629 69 N 4.8458 8.7098 121.1549 53.3925 39.8241 175.3421 70 R 4.5750 8.4686 120.5627 55.7060 33.9110 173.4442 71 L 4.7955 8.8714 129.0628 53.6973 45.1589 175.2681 72 V 4.6904 8.0911 122.0222 61.6618 35.5852 172.8857 73 D 5.1822 8.5974 126.6203 52.3944 44.0128 174.8178 74 I 4.6349 7.9699 116.2022 59.5194 39.1116 176.8176 75 I 3.9659 8.6600 120.7823 62.9860 38.4107 176.1191 76 N 4.9381 7.8969 120.0764 50.7886 41.5696 173.1485 77 P 4.5699 0.0000 0.0000 61.7866 29.7332 175.1898 78 N 4.5854 7.8100 123.5384 54.1317 39.6034 176.0563 79 R 4.2305 8.2435 116.8675 57.0143 30.3517 178.6001 80 K 4.1239 7.4838 120.2030 58.9095 32.2309 178.1468 81 T 4.1230 7.7643 110.8305 64.4337 68.4087 175.9642 82 I 3.6906 7.3474 118.8569 63.3173 36.7902 177.1225 83 E 4.1843 8.0305 119.1156 57.6462 30.0841 177.5369 84 Q 4.1237 7.8535 117.9625 58.4956 28.9120 178.0189 85 L 4.2154 8.1339 119.7887 57.3607 42.0613 178.7602 86 M 4.2642 7.5451 116.1240 57.6474 32.1770 176.5308 87 T 4.5131 7.3728 105.0736 61.6525 70.9128 173.6338 88 L 4.3083 7.2566 122.8974 55.1175 42.1515 177.2048 89 D 4.4775 7.9671 118.6351 54.2388 40.5277 176.8299 90 L 4.7026 8.0269 128.1751 52.5330 41.9773 174.5616 91 P 4.7048 0.0000 0.0000 61.4588 32.7251 176.1228 92 T 4.1385 8.6443 118.9882 64.4726 67.7157 175.8887 93 G 4.2165 7.5825 109.8763 44.3143 0.0000 171.8317 94 V 4.5455 7.7093 117.3350 60.6216 35.6072 173.7701 95 E 4.9351 8.8773 123.8182 54.4198 33.4064 174.6944 96 I 5.6191 7.9721 116.9050 60.1091 40.2234 174.1099 97 E 4.6614 8.7544 126.2182 55.1501 32.3138 175.2196 98 I 5.0478 8.0017 121.2244 60.3513 40.9864 174.5298 99 K 4.8887 9.3608 127.2096 55.5004 36.7439 174.8745 100 T 5.2198 8.2345 111.4063 61.9924 71.5076 175.0639 *101 V 3.9074 8.3598 121.2216 61.0770 32.4044 172.9092 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 K 8.17 4.35 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.68 7.81 4 I 7.36 4.33 1.87 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 1.32 0.91 0.00 0.00 5 R 9.28 5.54 0.00 1.84 1.77 0.00 3.08 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 6 I 7.89 5.58 1.86 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 1.24 1.32 0.91 0.00 0.00 7 K 8.56 4.41 0.00 1.77 1.75 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.40 7.81 8 L 8.35 5.45 0.00 1.78 1.56 1.04 0.81 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 9 R 9.53 4.64 0.00 1.68 1.77 0.00 3.18 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 10 G 7.16 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 5.23 0.00 3.03 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 12 D 8.14 4.59 0.00 2.78 2.57 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 0.00 0.00 0.00 0.00 13 H 8.67 4.59 0.00 3.16 3.03 0.00 5.57 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.62 4.08 0.00 1.67 1.75 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 15 T 7.62 4.00 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 16 L 7.79 4.11 0.00 1.78 1.88 1.02 1.29 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 17 D 7.82 4.61 0.00 3.10 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 18 A 7.69 3.99 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 19 S 8.14 4.43 0.00 4.00 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 20 A 7.51 4.58 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.36 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 22 K 7.78 4.13 0.00 1.97 1.78 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.62 7.81 23 I 7.60 4.17 1.87 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 1.30 0.77 0.91 0.00 0.00 24 V 7.65 4.39 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 0.84 0.00 0.00 1.00 0.00 0.00 25 E 8.12 4.50 0.00 1.99 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 2.24 2.42 0.00 26 A 7.89 4.50 1.33 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 0.00 0.00 27 A 7.57 5.05 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 28 R 7.91 3.92 0.00 1.82 2.00 0.00 3.25 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 29 R 7.51 4.17 0.00 1.94 2.01 0.00 3.21 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 30 S 7.85 4.79 0.00 4.15 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 31 G 8.46 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 0.00 0.00 0.00 32 A 9.01 4.18 1.28 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 0.00 0.00 33 Q 8.57 4.25 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 34 V 8.02 4.69 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 0.83 0.00 0.00 0.93 0.00 0.00 35 S 8.73 4.05 0.00 3.94 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 36 G 8.78 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 37 P 0.00 4.35 0.00 1.95 2.06 0.00 3.67 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 2.03 2.23 0.00 38 I 8.76 4.43 1.87 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 1.46 0.65 0.97 0.00 0.00 39 P 0.00 5.01 0.00 2.10 2.14 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 40 L 8.33 4.70 0.00 1.67 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.22 0.00 2.19 2.13 0.00 3.76 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 1.99 2.01 0.00 42 T 8.32 4.29 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 1.01 0.00 0.00 43 R 8.66 4.32 0.00 1.76 1.90 0.00 3.27 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 44 V 8.15 4.10 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 0.67 0.00 0.00 0.88 0.00 0.00 45 R 7.59 4.63 0.00 1.95 1.59 0.00 3.42 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 46 R 7.83 4.40 0.00 1.50 1.63 0.00 3.07 0.00 0.00 2.25 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.25 0.00 47 F 7.74 5.05 0.00 3.10 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 48 T 8.72 4.91 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 1.19 0.00 0.00 49 V 8.46 4.47 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 1.04 0.00 0.00 1.00 0.00 0.00 50 I 8.50 4.04 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 1.42 0.91 0.92 0.00 0.00 51 R 9.06 4.08 0.00 1.80 2.03 0.00 3.32 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 52 G 8.04 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.27 2.24 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 54 F 8.07 4.74 0.00 2.99 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 55 K 8.53 4.39 0.00 1.19 1.34 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 0.41 7.81 56 H 7.78 4.94 0.00 3.15 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.12 4.12 0.00 1.72 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.38 7.81 58 D 7.88 4.80 0.00 2.70 2.54 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 0.00 0.00 0.00 0.00 59 S 7.30 3.78 0.00 3.98 3.87 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 60 R 7.59 4.56 0.00 2.11 2.07 0.00 2.94 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 61 E 8.60 4.64 0.00 1.92 1.61 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 1.54 2.05 0.00 62 H 8.39 4.97 0.00 3.14 3.08 0.00 5.54 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 63 F 8.49 5.21 0.00 3.16 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 64 E 8.73 4.46 0.00 1.80 1.81 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 2.15 2.23 0.00 65 L 7.73 4.31 0.00 1.72 1.42 0.35 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.36 4.36 0.00 1.77 1.76 0.00 3.29 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 67 T 8.45 4.66 4.46 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 1.26 0.00 0.00 68 H 8.67 4.75 0.00 3.07 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.71 4.85 0.00 2.62 2.75 0.00 0.00 6.90 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 70 R 8.47 4.58 0.00 1.84 1.74 0.00 3.07 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 71 L 8.87 4.80 0.00 1.79 1.48 0.94 0.59 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 72 V 8.09 4.69 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 0.92 0.00 0.00 0.93 0.00 0.00 73 D 8.60 5.18 0.00 2.70 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 74 I 7.97 4.63 1.87 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 1.28 1.16 0.91 0.00 0.00 75 I 8.66 3.97 1.87 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 1.34 0.59 0.95 0.00 0.00 76 N 7.90 4.94 0.00 2.62 2.68 0.00 0.00 7.00 7.69 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 77 P 0.00 4.57 0.00 2.22 2.07 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 78 N 7.81 4.59 0.00 2.77 2.83 0.00 0.00 6.97 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 79 R 8.24 4.23 0.00 1.79 1.96 0.00 3.36 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 80 K 7.48 4.12 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.76 7.81 81 T 7.76 4.12 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 82 I 7.35 3.69 1.87 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 1.67 1.09 0.91 0.00 0.00 83 E 8.03 4.18 0.00 1.94 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 0.00 2.24 2.32 0.00 84 Q 7.85 4.12 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 85 L 8.13 4.22 0.00 1.67 1.69 0.92 1.10 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 86 M 7.55 4.26 0.00 2.16 2.16 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 2.61 2.59 0.00 87 T 7.37 4.51 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 88 L 7.26 4.31 0.00 1.75 1.78 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.97 4.48 0.00 2.70 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 90 L 8.03 4.70 0.00 1.52 1.52 0.92 0.99 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 91 P 0.00 4.70 0.00 2.34 2.04 0.00 3.81 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 92 T 8.64 4.14 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 93 G 7.58 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 0.00 0.00 0.00 0.00 94 V 7.71 4.55 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 0.83 0.00 0.00 0.93 0.00 0.00 95 E 8.88 4.94 0.00 2.01 1.65 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 2.13 2.22 0.00 96 I 7.97 5.62 1.86 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 1.34 1.31 0.97 0.00 0.00 97 E 8.75 4.66 0.00 1.90 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 2.31 2.25 0.00 98 I 8.00 5.05 1.87 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 1.34 0.39 0.96 0.00 0.00 99 K 9.36 4.89 0.00 1.57 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.49 7.81 100 T 8.23 5.22 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 1.26 0.00 0.00 *101 V 8.36 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.