NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2061 8.1127 119.7087 57.1375 31.4393 176.0640 3 V 3.1454 8.6325 119.3939 62.4295 31.5580 172.8294 4 K 3.9519 9.5317 118.7819 59.6997 33.2358 176.6545 5 M 4.3567 7.4460 116.9576 54.8778 32.2172 174.1688 6 H 4.4995 8.3858 113.3132 55.9646 30.2878 175.5655 7 V 2.5327 6.5927 107.6161 60.7759 32.8034 178.2973 8 K 4.7407 7.6722 124.3046 55.0337 35.8668 174.8189 9 K 4.3884 8.5718 117.2159 56.0502 35.0213 175.1388 10 G 3.9431 7.5413 109.4920 44.7639 0.0000 172.4136 11 D 4.3834 7.7704 125.2643 53.6402 43.2318 174.6279 12 T 4.9140 8.4640 115.0357 62.7145 69.8640 174.8523 13 V 4.7371 9.1394 125.4792 61.0987 35.6807 173.7141 14 L 5.6546 9.1001 126.9313 52.7024 45.4288 175.6593 15 V 4.5477 8.0267 122.8930 61.3879 34.5948 175.1507 16 A 4.5907 8.0755 120.3355 51.1358 19.6252 177.2567 17 S 4.6507 7.9981 118.6078 59.2461 66.3930 172.4082 18 G 4.2014 7.5955 112.9841 46.2973 0.0000 178.3147 19 K 3.5682 7.9857 116.9481 57.7788 34.0256 173.3251 20 Y 4.3242 8.0531 123.7666 57.9616 38.8458 176.3519 21 K 3.8854 7.6624 120.7683 57.0734 32.5313 175.4607 22 G 4.0567 8.7005 116.4347 46.0538 0.0000 170.9833 23 R 4.6743 7.6805 120.8086 54.2010 34.8503 174.4376 24 V 4.0231 8.7298 124.1217 63.4246 32.1880 175.3396 25 G 4.1928 9.5094 114.8368 44.7026 0.0000 172.4293 26 K 4.3377 8.4569 124.0766 55.3301 34.5036 174.3713 27 V 4.1932 8.1363 118.5791 63.5365 30.4424 176.3684 28 K 4.0702 8.3778 125.7651 56.3946 33.5860 175.3975 29 E 3.6631 8.0622 118.8459 56.4607 25.3365 173.0546 30 V 3.8361 7.4121 120.5180 62.5651 34.4029 175.2881 31 L 4.0782 8.7550 126.4563 55.1599 40.0373 174.8587 32 P 4.8522 0.0000 0.0000 62.5095 34.0600 177.6568 33 K 3.9702 8.1982 118.0102 59.3977 32.1998 177.5022 34 K 4.0990 8.0811 116.4070 57.3251 33.3541 176.2589 35 Y 3.4889 8.4145 117.6074 58.1774 36.6687 166.0571 36 A 5.4649 6.9352 121.3035 49.9041 22.9625 175.0485 37 V 4.1593 8.0845 105.7449 63.1966 33.9009 176.1163 38 I 3.6466 8.0754 128.0205 58.9901 37.7307 178.2865 39 V 3.3052 8.1062 120.1834 63.7911 31.5364 173.9803 40 E 4.5947 9.0576 112.8998 56.8118 34.6710 175.3194 41 G 3.3648 7.4805 106.9310 45.9133 0.0000 174.4156 42 V 2.4678 5.4500 112.4726 63.8450 29.0505 173.9931 43 N 4.6458 7.8050 121.3679 51.4055 38.5059 174.6949 44 I 4.6863 7.7541 123.4629 59.3592 40.1986 175.1061 45 V 4.5593 7.8823 119.0198 61.5196 35.9409 173.6209 46 K 4.2074 8.7208 123.4105 56.0616 32.7230 179.0528 47 K 4.3754 8.5388 120.0529 56.7961 33.9444 179.0216 48 A 4.2498 7.0493 125.0691 53.1457 16.0885 178.0452 49 V 3.9195 7.7789 121.2649 62.2414 33.7290 177.0302 50 R 4.1770 7.5799 117.2036 57.6267 27.0114 178.3163 51 V 4.1169 8.2718 124.9417 63.8840 32.7027 175.6269 52 S 4.3113 7.3996 113.4249 57.6068 63.6375 173.7003 53 P 4.6964 0.0000 0.0000 61.4743 30.5715 177.0168 54 K 3.7518 8.0101 119.8096 56.9353 32.6606 176.1976 55 Y 3.4130 8.9429 114.8545 59.9895 36.0024 168.2893 56 P 3.5738 0.0000 0.0000 61.5990 35.5063 175.1254 57 Q 3.9161 9.0420 120.0631 58.3929 27.0396 178.7059 58 G 4.5129 7.8228 104.8729 45.8400 0.0000 171.1208 59 G 4.4302 8.5777 108.9586 44.5046 0.0000 172.1622 60 F 4.9175 8.7283 111.3526 56.2192 39.3272 174.1081 61 I 4.3839 7.4777 120.7148 60.5758 40.7276 177.5105 62 E 3.4252 8.1274 118.4017 57.2418 28.2596 172.3518 63 K 4.7575 8.0620 119.0452 55.6484 37.4261 178.3198 64 E 5.0859 8.6527 116.0810 54.4453 28.3999 179.3130 65 A 4.8777 9.2044 135.0000 54.3360 20.3671 177.2788 66 P 2.9700 0.0000 0.0000 58.3714 33.6329 170.9328 67 L 3.6533 7.8899 129.7087 54.4243 42.7120 173.6802 68 H 4.3284 8.7022 125.9942 56.2106 30.6373 176.0361 69 A 4.3496 8.8601 135.0000 51.2076 16.4045 177.0031 70 S 4.6258 7.4351 112.6768 58.7582 67.4901 175.5436 71 K 4.3089 8.3493 119.0643 57.8936 32.4272 176.6645 72 V 4.7985 7.4201 111.8582 60.5177 33.5117 175.6188 73 R 4.8532 9.1470 121.3431 53.9110 34.6384 173.3019 74 P 4.8137 0.0000 0.0000 63.0670 32.5557 174.9712 75 I 4.7066 7.5698 118.8837 60.4631 40.9233 174.2057 76 C 4.5913 8.5634 124.6595 59.9196 35.0361 171.4763 77 P 4.0908 0.0000 0.0000 64.7325 30.3866 174.1172 78 A 4.0150 8.5675 125.8269 50.6207 17.6585 174.9705 79 C 4.5190 8.5050 109.1143 59.2136 32.6095 173.7700 80 G 3.4153 9.1703 105.4352 46.7200 0.0000 172.1208 81 K 4.3058 8.9656 123.7514 55.5360 32.5598 175.1974 82 P 4.4183 0.0000 0.0000 63.4285 31.8638 175.2175 83 T 4.6295 7.9885 115.6348 62.7799 70.9488 174.6177 84 R 4.4181 7.8927 121.5569 55.9926 35.4097 174.2283 85 V 4.8115 8.2196 121.0350 63.3244 34.7747 174.9635 86 R 4.8947 8.3616 125.8117 54.5405 33.3486 173.5937 87 K 4.3433 8.5105 112.5210 57.5811 34.3713 178.3784 88 K 4.0796 8.4132 116.0112 55.7768 30.5616 176.4203 89 F 4.1448 10.0243 118.9439 57.7954 37.4550 173.6206 90 L 4.7116 7.4963 119.2390 55.9188 48.3702 174.1508 91 E 4.8438 7.6835 119.6641 55.0116 30.5472 176.2897 92 N 4.5827 8.7598 130.9817 54.6840 39.5056 174.2617 93 G 4.0155 8.9605 103.1384 44.2886 0.0000 171.7901 94 K 4.9270 8.0102 117.8854 54.3160 33.9915 176.2452 95 K 4.8133 8.1385 119.9472 54.7873 36.9797 175.7271 96 I 4.2220 8.3950 117.3034 60.1364 39.3070 175.3128 97 R 3.8036 9.1013 120.7694 59.0244 29.6514 178.3842 98 V 3.2066 7.9888 124.8100 63.7605 29.2178 173.5184 99 C 4.4302 7.7193 119.4339 58.7662 35.3151 172.8557 100 A 3.1236 8.7421 118.8564 53.8246 18.7192 173.9727 101 K 3.5903 8.3453 123.1622 57.5880 29.3113 176.8068 *102 C 4.3630 8.1013 119.0909 57.4751 28.5244 173.2086 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 2 R 8.11 4.21 0.00 1.87 1.94 0.00 3.41 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 3 V 8.63 3.15 2.10 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 0.97 0.00 0.00 0.94 0.00 0.00 4 K 9.53 3.95 0.00 1.98 2.00 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.66 1.42 7.81 5 M 7.45 4.36 0.00 2.08 2.07 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 2.59 2.49 0.00 6 H 8.39 4.50 0.00 3.22 3.57 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 6.59 2.53 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 0.74 0.00 0.00 0.97 0.00 0.00 8 K 7.67 4.74 0.00 1.64 1.70 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.42 7.81 9 K 8.57 4.39 0.00 1.77 1.69 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.41 7.81 10 G 7.54 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 0.00 0.00 0.00 11 D 7.77 4.38 0.00 2.81 2.81 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 12 T 8.46 4.91 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 13 V 9.14 4.74 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 0.83 0.00 0.00 0.92 0.00 0.00 14 L 9.10 5.65 0.00 1.69 1.47 0.93 0.79 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 15 V 8.03 4.55 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 16 A 8.08 4.59 1.24 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 0.00 0.00 0.00 17 S 8.00 4.65 0.00 4.06 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 18 G 7.60 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 19 K 7.99 3.57 0.00 2.03 2.10 0.00 1.96 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.51 7.81 20 Y 8.05 4.32 0.00 2.91 3.03 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 21 K 7.66 3.89 0.00 1.97 1.76 0.00 1.66 0.00 0.00 2.38 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 22 G 8.70 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 0.00 0.00 0.00 23 R 7.68 4.67 0.00 1.80 1.84 0.00 3.15 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 24 V 8.73 4.02 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 0.94 0.00 0.00 25 G 9.51 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 26 K 8.46 4.34 0.00 1.80 1.72 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 27 V 8.14 4.19 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 1.10 0.00 0.00 0.92 0.00 0.00 28 K 8.38 4.07 0.00 2.14 2.11 0.00 1.87 0.00 0.00 1.84 0.00 0.00 3.38 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.32 7.81 29 E 8.06 3.66 0.00 2.11 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 0.00 2.18 2.32 0.00 30 V 7.41 3.84 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 0.77 0.00 0.00 0.90 0.00 0.00 31 L 8.75 4.08 0.00 1.83 1.28 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.85 0.00 2.33 2.32 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 33 K 8.20 3.97 0.00 1.78 1.98 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.54 7.81 34 K 8.08 4.10 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.49 7.81 35 Y 8.41 3.49 0.00 3.07 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 36 A 6.94 5.46 1.24 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 0.00 0.00 0.00 37 V 8.08 4.16 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 0.67 0.00 0.00 1.00 0.00 0.00 38 I 8.08 3.65 1.95 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 1.14 0.94 0.97 0.00 0.00 39 V 8.11 3.31 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 0.71 0.00 0.00 0.90 0.00 0.00 40 E 9.06 4.59 0.00 1.98 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 2.22 2.24 0.00 41 G 7.48 3.36 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 0.00 42 V 5.45 2.47 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 0.72 0.00 0.00 0.77 0.00 0.00 43 N 7.80 4.65 0.00 2.96 2.76 0.00 0.00 6.90 6.85 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 44 I 7.75 4.69 1.87 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 1.35 0.57 0.94 0.00 0.00 45 V 7.88 4.56 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 0.58 0.00 0.00 0.95 0.00 0.00 46 K 8.72 4.21 0.00 1.66 1.41 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.30 7.81 47 K 8.54 4.38 0.00 1.96 1.99 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.42 7.81 48 A 7.05 4.25 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 49 V 7.78 3.92 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 0.99 0.00 0.00 1.02 0.00 0.00 50 R 7.58 4.18 0.00 1.98 1.47 0.00 3.26 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 51 V 8.27 4.12 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 0.84 0.00 0.00 0.92 0.00 0.00 52 S 7.40 4.31 0.00 3.92 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 53 P 0.00 4.70 0.00 1.99 2.05 0.00 3.66 0.00 0.00 2.42 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 54 K 8.01 3.75 0.00 1.49 1.23 0.00 1.96 0.00 0.00 1.93 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.37 7.81 55 Y 8.94 3.41 0.00 3.19 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 56 P 0.00 3.57 0.00 2.17 2.42 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 57 Q 9.04 3.92 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 58 G 7.82 4.51 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 0.00 0.00 0.00 59 G 8.58 4.43 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 0.00 60 F 8.73 4.92 0.00 2.89 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 61 I 7.48 4.38 1.89 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 1.47 0.67 0.93 0.00 0.00 62 E 8.13 3.43 0.00 1.96 1.82 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 2.07 2.25 0.00 63 K 8.06 4.76 0.00 1.64 1.65 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.42 7.81 64 E 8.65 5.09 0.00 1.89 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 2.45 2.50 0.00 65 A 9.20 4.88 1.27 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 66 P 0.00 2.97 0.00 2.22 2.06 0.00 3.68 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 2.07 2.09 0.00 67 L 7.89 3.65 0.00 1.81 1.61 0.91 0.82 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 68 H 8.70 4.33 0.00 3.25 3.21 0.00 5.73 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 69 A 8.86 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.44 4.63 0.00 4.11 4.17 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 71 K 8.35 4.31 0.00 1.90 1.92 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.45 7.81 72 V 7.42 4.80 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 0.68 0.00 0.00 0.90 0.00 0.00 73 R 9.15 4.85 0.00 1.67 1.76 0.00 3.14 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 74 P 0.00 4.81 0.00 2.07 2.05 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.96 0.00 75 I 7.57 4.71 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 1.35 1.43 0.95 0.00 0.00 76 C 8.56 4.59 0.00 2.90 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 77 P 0.00 4.09 0.00 2.25 2.03 0.00 3.70 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 2.03 2.14 0.00 78 A 8.57 4.01 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 79 C 8.50 4.52 0.00 3.04 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 80 G 9.17 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 0.00 0.00 0.00 81 K 8.97 4.31 0.00 1.97 2.12 0.00 1.80 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.33 7.81 82 P 0.00 4.42 0.00 2.09 2.01 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 83 T 7.99 4.63 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 84 R 7.89 4.42 0.00 2.14 1.73 0.00 3.14 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 85 V 8.22 4.81 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 0.98 0.00 0.00 0.94 0.00 0.00 86 R 8.36 4.89 0.00 1.77 1.81 0.00 3.25 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 87 K 8.51 4.34 0.00 1.96 2.01 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.58 7.81 88 K 8.41 4.08 0.00 1.98 2.13 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.51 7.81 89 F 10.02 4.14 0.00 2.98 3.40 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 90 L 7.50 4.71 0.00 1.74 1.71 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.68 4.84 0.00 1.95 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 0.00 0.00 0.00 2.23 2.36 0.00 92 N 8.76 4.58 0.00 2.59 2.31 0.00 0.00 7.06 7.98 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 93 G 8.96 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 0.00 0.00 0.00 94 K 8.01 4.93 0.00 1.64 1.85 0.00 1.78 0.00 0.00 1.23 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.28 7.81 95 K 8.14 4.81 0.00 1.66 1.63 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.44 7.81 96 I 8.39 4.22 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 1.38 0.92 0.91 0.00 0.00 97 R 9.10 3.80 0.00 1.92 2.04 0.00 3.08 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 98 V 7.99 3.21 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 0.76 0.00 0.00 0.93 0.00 0.00 99 C 7.72 4.43 0.00 2.94 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 0.00 100 A 8.74 3.12 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 0.00 101 K 8.35 3.59 0.00 1.89 2.01 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.41 7.81 *102 C 8.10 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.