NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3476 8.2493 123.5835 52.5605 19.5398 176.1860 2 T 4.3883 8.4027 113.2673 62.1253 70.9970 172.9229 3 K 5.2741 8.3729 123.5773 54.5525 36.5059 176.3989 4 A 5.4159 8.8404 125.5591 50.2863 23.1647 174.7548 5 V 4.9721 8.6460 117.0088 60.9143 35.4440 173.4335 6 C 4.9792 9.0814 122.2579 58.0094 35.3148 172.5264 7 V 4.6904 8.5070 125.9634 61.3673 33.2500 173.9572 8 L 4.8510 8.9867 128.9633 53.5680 43.5806 176.0596 9 K 4.8752 9.0802 121.7229 55.5645 37.2189 176.1171 10 G 4.3847 8.0043 108.2745 45.1978 0.0000 172.0678 11 D 4.4734 8.9303 118.2013 56.5338 41.4398 176.8073 12 G 4.3027 7.6187 108.7611 44.1437 0.0000 171.3665 13 P 4.4225 0.0000 0.0000 63.3419 32.1625 175.5454 14 V 4.3416 7.5734 120.5639 63.0254 31.7956 174.8692 15 Q 5.3232 8.2045 125.3023 54.2229 32.8532 173.8314 16 G 4.3903 7.8809 105.9708 46.4583 0.0000 171.8323 17 I 5.1767 8.1760 119.7917 59.6135 41.2322 174.9704 18 I 4.7263 9.1020 127.8070 59.3797 40.7334 174.2584 19 N 5.0633 8.3969 123.5960 51.1816 41.5145 173.6177 20 F 5.4222 8.7321 120.5745 55.8442 42.9531 174.0402 21 E 5.2789 9.3067 122.7830 55.1052 33.5299 173.4731 22 Q 4.9266 9.2936 128.3844 54.2388 30.4902 174.8747 23 K 4.1260 9.0379 127.1669 58.9088 32.5063 177.3218 24 E 4.7102 7.7397 117.1094 54.1692 32.9735 175.6504 25 S 4.3338 8.7170 119.6377 61.7406 62.5199 175.2165 26 N 4.6866 8.0792 113.6142 53.1137 38.6900 175.6538 27 G 3.8535 8.6512 109.2056 44.5974 0.0000 171.8762 28 P 4.5395 0.0000 0.0000 62.8770 32.2529 175.9438 29 V 4.5185 9.3142 124.1630 61.4340 33.6383 174.7354 30 K 4.9198 9.4442 128.7934 55.7817 33.5174 176.0554 31 V 5.0101 9.0007 125.9246 59.6209 34.0061 174.9016 32 W 5.4870 8.8040 120.9058 54.9268 32.2007 174.3365 33 G 3.6591 7.0997 105.9824 45.4044 0.0000 171.4314 34 S 5.0854 8.0329 115.3914 56.6204 66.4565 174.2815 35 I 5.0879 8.7943 126.4128 59.3709 40.7945 174.8386 36 K 4.7831 9.0470 125.6565 55.8579 35.7525 177.0974 37 G 3.8197 8.7140 106.6004 46.6423 0.0000 173.4612 38 L 4.3704 7.4395 119.9813 53.2626 42.7175 176.5657 39 T 4.1832 8.2564 112.6676 61.1331 69.4194 173.8932 40 E 4.0103 8.6567 125.5428 58.1561 30.5378 176.7644 41 G 3.8067 9.2027 110.8645 43.9823 0.0000 171.4199 42 L 4.8700 8.0317 118.9699 54.1258 43.2721 176.1609 43 H 4.8933 9.1878 120.5624 53.4295 32.2635 173.4099 44 G 4.0542 9.1732 111.4112 46.9539 0.0000 171.8898 45 F 5.6788 9.3288 127.4270 56.9209 41.6459 173.3851 46 H 5.4437 8.9391 123.1553 53.7305 32.9828 173.2607 47 V 4.2841 8.6706 122.9019 63.1353 32.5420 174.7295 48 H 5.3282 9.3077 124.5045 53.8295 31.8721 174.8688 49 E 3.6490 8.9626 121.9890 58.7637 29.8657 177.0544 50 F 4.9152 8.2209 118.3012 54.9046 41.6095 176.9480 51 G 4.4061 8.3429 111.8112 44.2330 0.0000 174.1503 52 D 4.7317 7.9341 118.1467 52.6817 42.2524 174.4211 53 N 5.1690 8.7985 124.6770 52.8291 39.1986 175.8586 54 T 3.9897 8.6171 110.0764 63.3728 68.8697 174.7127 55 A 4.6846 7.8185 124.6933 51.3951 19.8447 177.8025 56 G 3.8425 8.0458 109.3674 47.6069 0.0000 176.3953 57 C 4.5142 8.5872 115.6721 59.0346 39.3973 175.8830 58 T 3.8852 7.9690 117.2717 66.5756 68.1031 175.8826 59 S 4.4978 7.9864 112.3289 59.0759 63.5637 174.6985 60 A 4.5139 7.1958 123.3050 53.0659 18.6836 178.6195 61 G 3.9375 7.6767 102.1132 44.0105 0.0000 170.3709 62 P 4.7115 0.0000 0.0000 61.8716 34.2256 174.9843 63 H 4.3687 8.4358 116.4079 56.0806 29.1824 175.3928 64 F 4.2932 9.0486 125.5293 58.6788 40.2622 174.2003 65 N 4.9148 8.2605 125.5702 51.1981 39.0920 172.5761 66 P 4.0921 0.0000 0.0000 64.4139 31.4755 177.2021 67 L 4.1296 6.9477 119.1169 55.8444 43.4080 175.4829 *79 R 4.1366 7.4559 116.4203 55.5628 31.1695 175.3752 80 H 5.0594 8.4678 115.1865 55.0718 29.1577 176.4376 81 V 3.3470 8.3584 121.3271 66.1134 31.5583 176.8604 82 G 3.9914 7.5897 105.3535 46.3583 0.0000 173.1476 83 D 4.8014 7.4986 121.0057 53.3734 40.8201 175.4226 84 L 4.5663 8.2794 125.4662 53.0675 42.6984 178.2674 85 G 3.9958 8.5566 110.9641 46.6510 0.0000 175.3185 86 N 5.6193 8.6237 120.6261 51.4341 42.7013 172.7808 87 V 4.3134 8.8002 113.5126 59.9745 35.4127 175.3381 88 T 4.9695 8.1417 118.1512 61.7754 71.3910 173.0597 89 A 4.7831 8.8974 130.3749 50.8923 20.1059 177.2184 90 D 4.7745 8.8891 123.4192 52.3918 40.4432 177.3287 91 K 3.9991 8.5411 117.6892 60.1283 32.2770 177.3815 92 D 4.5212 8.2122 116.5188 54.0322 40.9135 176.4961 93 G 4.0272 8.6291 108.3095 45.3171 0.0000 173.0257 94 V 4.4961 8.1694 120.3701 60.9536 33.2633 174.8247 95 A 5.3860 8.9212 131.9551 50.2517 19.7281 175.7689 96 D 4.9620 8.4515 122.4090 53.7945 41.2873 176.5986 97 V 3.7400 8.3424 125.1410 62.6885 32.8725 175.0912 98 S 4.8690 8.5138 122.4131 57.3368 64.6589 172.8081 99 I 4.8701 9.3391 128.0805 59.5977 41.7035 174.2495 100 E 5.2452 8.8723 123.8835 54.7095 32.2375 174.9024 101 D 4.9367 9.3278 122.9899 52.6873 45.0139 175.7973 102 S 4.8777 8.8940 118.2222 58.4034 64.2740 174.7506 103 V 4.0993 7.9960 120.4945 64.3293 32.3265 176.4917 104 I 4.0261 7.8717 111.8177 60.7708 38.2726 174.7528 105 S 4.7678 8.7280 115.6052 57.0079 65.5718 173.7844 106 L 4.3515 8.9793 121.9511 53.8825 41.5281 176.6949 107 S 4.4226 7.9823 110.8539 59.0897 65.0977 177.4571 108 G 3.7961 8.1487 109.8998 44.9887 0.0000 173.5585 109 D 4.7550 8.5572 118.3133 54.1254 39.9929 176.2521 110 H 4.9842 7.9846 116.1811 55.6590 29.4152 173.5045 111 C 4.4192 7.8111 120.7487 60.1676 31.6585 173.4431 112 I 3.9383 8.1417 118.5219 60.5094 37.8667 175.3069 113 T 4.0002 7.4017 118.9180 65.0075 68.4856 174.7232 114 G 3.8219 9.3713 114.8766 45.1939 0.0000 172.7368 115 R 4.7292 7.2983 118.9331 54.5450 33.9022 174.3009 116 T 4.9296 7.9258 115.7251 62.1365 71.3435 173.4711 117 L 4.8101 8.7261 129.3309 54.0659 43.9684 175.3014 118 V 4.9345 9.1190 126.4345 61.0274 34.5736 174.2443 119 V 4.9229 8.7687 127.9794 61.0237 33.1391 175.0262 120 H 5.2349 8.9985 122.1020 54.1093 30.6305 174.7142 121 E 4.1849 9.1532 122.4292 59.3979 29.6253 177.2773 122 K 4.7373 8.0271 117.6677 53.9993 35.0399 175.6707 123 A 4.2413 8.6538 124.9937 52.7305 18.5936 177.9291 124 D 4.4421 9.6124 123.4667 54.6822 39.2632 175.4745 *142 S 4.3335 7.9334 119.3887 57.8979 65.4861 172.6017 143 R 4.5575 8.2889 118.5328 54.8664 30.3752 176.7547 144 L 4.2897 9.1071 125.5363 57.4812 42.9114 176.9395 145 A 4.7991 7.7165 117.9911 51.4506 22.9431 173.6980 146 C 5.7255 8.5105 112.1861 55.9713 46.6931 173.0841 147 G 4.6988 8.2051 105.5976 44.7963 0.0000 171.7717 148 V 4.3377 8.1927 120.5181 62.2569 32.6423 175.6753 149 I 3.9833 9.2064 129.4669 61.5334 37.6648 175.5034 150 G 4.3750 9.0439 115.2472 44.0316 0.0000 171.8153 151 I 4.3007 8.2460 121.3438 61.0801 37.5427 175.6629 152 A 4.7873 8.6413 128.9034 49.5102 21.8346 176.3745 153 Q 4.0748 8.5958 118.9500 56.5678 29.0944 176.4519 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 1 A 8.25 4.35 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 2 T 8.40 4.39 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 1.24 0.00 0.00 3 K 8.37 5.27 0.00 1.73 1.75 0.00 1.67 0.00 0.00 1.99 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.52 7.81 4 A 8.84 5.42 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 0.00 0.00 0.00 0.00 0.00 5 V 8.65 4.97 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 0.76 0.00 0.00 0.91 0.00 0.00 6 C 9.08 4.98 0.00 3.18 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 7 V 8.51 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.99 4.85 0.00 1.66 1.59 1.05 0.61 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 9 K 9.08 4.88 0.00 1.65 1.63 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 8.00 4.38 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 0.00 11 D 8.93 4.47 0.00 2.68 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 12 G 7.62 4.30 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 0.00 13 P 0.00 4.42 0.00 2.22 2.29 0.00 3.69 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 2.04 1.94 0.00 14 V 7.57 4.34 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 0.78 0.00 0.00 0.94 0.00 0.00 15 Q 8.20 5.32 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 16 G 7.88 4.39 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 0.00 0.00 0.00 17 I 8.18 5.18 1.82 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 1.20 1.00 0.83 0.00 0.00 18 I 9.10 4.73 1.80 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 1.27 1.46 0.39 0.00 0.00 19 N 8.40 5.06 0.00 1.44 1.42 0.00 0.00 6.51 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 20 F 8.73 5.42 0.00 2.91 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 21 E 9.31 5.28 0.00 2.45 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 0.00 2.34 2.54 0.00 22 Q 9.29 4.93 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 23 K 9.04 4.13 0.00 1.81 1.89 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.47 7.81 24 E 7.74 4.71 0.00 1.94 1.72 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 2.27 2.28 0.00 25 S 8.72 4.33 0.00 3.88 3.90 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 26 N 8.08 4.69 0.00 2.76 2.84 0.00 0.00 6.85 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 27 G 8.65 3.85 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 0.00 0.00 0.00 28 P 0.00 4.54 0.00 1.98 2.04 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 29 V 9.31 4.52 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 1.30 0.00 0.00 1.05 0.00 0.00 30 K 9.44 4.92 0.00 1.91 1.82 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.44 7.81 31 V 9.00 5.01 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 1.05 0.00 0.00 0.83 0.00 0.00 32 W 8.80 5.49 0.00 3.52 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 33 G 7.10 3.66 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 0.00 0.00 0.00 34 S 8.03 5.09 0.00 3.88 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 35 I 8.79 5.09 1.80 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 1.27 0.50 0.94 0.00 0.00 36 K 9.05 4.78 0.00 1.79 1.89 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.35 7.81 37 G 8.71 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 0.00 0.00 0.00 38 L 7.44 4.37 0.00 1.88 1.56 0.72 0.91 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 39 T 8.26 4.18 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 1.24 0.00 0.00 40 E 8.66 4.01 0.00 1.95 1.91 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 2.30 2.46 0.00 41 G 9.20 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 0.00 0.00 0.00 42 L 8.03 4.87 0.00 1.47 1.56 0.90 0.92 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 43 H 9.19 4.89 0.00 3.00 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.17 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 45 F 9.33 5.68 0.00 2.94 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 46 H 8.94 5.44 0.00 3.31 3.05 0.00 5.86 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 47 V 8.67 4.28 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 0.78 0.00 0.00 0.89 0.00 0.00 48 H 9.31 5.33 0.00 3.01 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.96 3.65 0.00 1.63 1.12 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 1.47 2.07 0.00 50 F 8.22 4.92 0.00 3.19 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 51 G 8.34 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.93 4.73 0.00 2.67 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 53 N 8.80 5.17 0.00 2.69 2.76 0.00 0.00 7.37 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.62 3.99 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 55 A 7.82 4.68 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 56 G 8.05 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.59 4.51 0.00 2.98 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 58 T 7.97 3.89 4.40 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 1.23 0.00 0.00 59 S 7.99 4.50 0.00 4.10 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 60 A 7.20 4.51 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 61 G 7.68 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 62 P 0.00 4.71 0.00 2.07 2.23 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 63 H 8.44 4.37 0.00 2.71 2.28 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.05 4.29 0.00 2.98 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 65 N 8.26 4.91 0.00 2.82 2.52 0.00 0.00 6.90 7.71 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 66 P 0.00 4.09 0.00 2.12 2.05 0.00 3.19 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.07 0.00 67 L 6.95 4.13 0.00 1.59 1.54 0.88 0.89 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 *79 R 7.46 4.14 0.00 1.98 1.96 0.00 3.06 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 80 H 8.47 5.06 0.00 3.43 3.45 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.36 3.35 1.59 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 0.55 0.00 0.00 0.50 0.00 0.00 82 G 7.59 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 0.00 0.00 0.00 83 D 7.50 4.80 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.28 4.57 0.00 1.72 1.77 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.56 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.62 5.62 0.00 2.56 2.74 0.00 0.00 6.61 7.68 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 87 V 8.80 4.31 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 -0.34 0.00 0.00 0.70 0.00 0.00 88 T 8.14 4.97 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 89 A 8.90 4.78 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 90 D 8.89 4.77 0.00 2.91 2.84 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 0.00 0.00 0.00 91 K 8.54 4.00 0.00 1.88 2.00 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 D 8.21 4.52 0.00 2.79 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 93 G 8.63 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 94 V 8.17 4.50 2.22 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 1.00 0.00 0.00 0.92 0.00 0.00 95 A 8.92 5.39 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 0.00 0.00 0.00 0.00 0.00 96 D 8.45 4.96 0.00 2.54 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 97 V 8.34 3.74 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 0.84 0.00 0.00 0.68 0.00 0.00 98 S 8.51 4.87 0.00 3.89 3.71 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 99 I 9.34 4.87 1.99 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 1.28 0.70 1.01 0.00 0.00 100 E 8.87 5.25 0.00 1.83 1.86 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 2.23 2.28 0.00 101 D 9.33 4.94 0.00 2.80 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 0.00 102 S 8.89 4.88 0.00 3.88 3.85 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 0.00 103 V 8.00 4.10 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 0.76 0.00 0.00 0.93 0.00 0.00 104 I 7.87 4.03 1.91 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.99 0.00 0.00 105 S 8.73 4.77 0.00 3.89 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 0.00 106 L 8.98 4.35 0.00 1.73 1.63 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.98 4.42 0.00 3.91 3.78 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 0.00 108 G 8.15 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 0.00 0.00 0.00 109 D 8.56 4.76 0.00 2.86 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 0.00 110 H 7.98 4.98 0.00 3.23 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.81 4.42 0.00 3.17 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 0.00 112 I 8.14 3.94 1.57 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.20 0.99 0.00 0.00 113 T 7.40 4.00 4.14 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 1.16 0.00 0.00 114 G 9.37 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 0.00 0.00 0.00 115 R 7.30 4.73 0.00 1.53 1.78 0.00 2.21 0.00 0.00 2.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.20 0.00 116 T 7.93 4.93 4.26 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 1.22 0.00 0.00 117 L 8.73 4.81 0.00 1.80 1.56 0.38 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.12 4.93 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 0.77 0.00 0.00 0.71 0.00 0.00 119 V 8.77 4.92 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 0.93 0.00 0.00 0.96 0.00 0.00 120 H 9.00 5.23 0.00 3.31 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.15 4.18 0.00 2.27 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 0.00 2.37 2.35 0.00 122 K 8.03 4.74 0.00 1.78 1.71 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.46 7.81 123 A 8.65 4.24 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 0.00 124 D 9.61 4.44 0.00 2.83 2.68 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 *142 S 7.93 4.33 0.00 3.98 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 0.00 143 R 8.29 4.56 0.00 1.66 1.80 0.00 3.26 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 144 L 9.11 4.29 0.00 1.68 1.69 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.72 4.80 1.21 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 0.00 0.00 146 C 8.51 5.73 0.00 3.04 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 0.00 147 G 8.21 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.19 4.34 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 0.81 0.00 0.00 0.95 0.00 0.00 149 I 9.21 3.98 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.49 0.37 0.00 0.00 150 G 9.04 4.38 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 0.00 151 I 8.25 4.30 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 1.25 0.54 0.91 0.00 0.00 152 A 8.64 4.79 1.17 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 0.00 0.00 153 Q 8.60 4.07 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.