NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2519 8.1749 115.2422 61.8132 68.5214 172.9726 6 V 4.3500 7.9659 120.6088 58.8464 35.0255 173.4545 7 W 4.8266 8.8347 123.5164 55.1589 32.1135 175.5930 8 G 4.2022 8.4133 108.8794 44.3042 0.0000 172.6355 9 A 4.3055 8.5067 126.4017 51.0021 19.4739 177.1029 10 L 4.2901 8.2734 123.4416 56.1665 42.9547 176.1447 11 G 4.2053 8.8446 113.0599 45.6438 0.0000 173.7209 12 H 4.6945 7.3198 114.9785 53.9646 30.5550 174.5801 13 G 4.0308 8.2094 109.5506 44.8440 0.0000 173.0022 14 I 4.5347 7.7743 118.2351 59.1427 41.0556 173.8903 15 N 4.6453 8.5327 123.7244 51.3016 39.8051 174.7503 16 L 4.1942 7.9858 124.4505 53.6371 41.1473 176.6232 17 N 4.5241 8.5336 121.8030 52.9449 39.0040 175.0652 18 I 4.2542 8.3834 122.7055 58.6129 38.3089 173.1801 19 P 4.3781 0.0000 0.0000 64.8372 31.1771 175.3845 20 N 4.2428 8.8409 117.7704 53.9751 36.4156 173.4735 21 F 4.7867 7.6543 117.1616 56.5980 41.2126 175.2307 22 Q 3.8714 6.4016 125.8413 54.1047 30.6681 174.2130 23 M 3.9698 8.4261 126.3552 55.8635 32.1671 175.0178 24 T 4.6808 7.9564 115.5702 59.3420 71.9097 174.5565 25 D 4.5444 8.5150 120.3544 56.9105 41.0404 177.9820 26 D 4.4701 7.7543 119.1390 56.9909 40.9508 177.1704 27 I 3.8590 7.5095 120.3129 62.0535 37.5722 174.7061 28 D 4.8222 9.0155 124.9445 55.4129 42.9866 175.5679 29 E 5.9035 8.0747 116.2877 53.4888 33.3265 175.1318 30 V 4.3895 8.5614 124.5769 61.2901 34.8840 173.7691 31 R 5.0759 8.4691 124.7445 54.2515 31.4458 175.0429 32 W 4.5723 9.5095 124.9855 55.5404 31.0379 175.4585 33 E 5.0507 8.7659 122.1942 55.0631 33.1063 174.8333 34 R 4.3835 8.7794 124.2273 55.2118 31.3122 175.6969 35 G 4.1036 8.3946 117.7047 46.8110 0.0000 174.8817 36 S 4.2765 8.6914 116.7247 60.5101 63.9253 175.1987 37 T 3.8813 7.5061 118.8314 63.1991 68.5485 173.1027 38 L 4.4520 8.4014 128.6477 54.7035 42.4428 175.9646 39 V 4.0847 8.6738 126.8356 64.8001 31.9680 175.7848 40 A 4.9081 7.9545 121.0142 50.1130 22.7975 173.8751 41 E 5.0188 8.8398 121.0654 54.5737 32.9561 174.1173 42 F 4.9874 9.4945 129.3169 56.2845 42.6678 173.8497 43 K 4.5114 7.3649 126.3298 55.4094 34.2702 175.3663 44 R 3.8698 8.7679 129.4959 58.9599 30.7987 176.7707 45 K 4.1727 8.7047 120.5727 54.8584 33.2267 173.7466 *48 P 4.4119 0.0000 0.0000 62.3028 32.4854 175.6901 49 F 4.6004 8.5835 122.4581 57.3132 40.2356 175.0394 50 L 4.3271 7.1850 126.5533 52.2733 44.8955 176.0889 51 K 3.8326 8.4849 125.3303 58.8855 31.9358 176.1773 52 S 4.7370 7.9665 110.5357 56.5600 66.0157 174.0867 53 G 3.6482 8.5960 107.3919 47.8298 0.0000 174.7771 54 A 3.9116 7.8246 122.1311 54.0372 19.2013 177.5614 55 F 5.2612 7.1252 112.1923 56.4124 41.9373 175.6678 56 E 4.5409 8.5124 117.8579 55.6708 33.2961 174.0324 57 I 4.5891 8.4939 128.3233 60.3083 39.2403 175.5928 58 L 4.3712 8.9959 129.6621 53.6588 42.5721 177.7197 59 A 4.1396 8.4781 122.2537 54.3708 18.3737 178.0638 60 N 4.7568 8.2881 111.6976 52.3599 37.6078 175.8707 61 G 4.0295 8.0815 108.8676 45.6304 0.0000 174.2587 62 D 4.5121 7.8320 119.2341 54.7110 42.1459 175.0660 63 L 4.7225 8.3802 123.6576 53.7445 43.5856 175.4481 64 K 4.4274 8.9451 127.9143 54.8411 34.2208 174.9816 65 I 4.4041 8.2534 129.6378 60.2361 37.2403 175.9993 66 K 3.9844 9.1305 128.0864 58.9862 32.0807 177.4665 67 N 4.7983 7.6828 118.8887 50.7903 40.4241 174.3822 68 L 4.2834 8.3191 125.5332 55.6010 43.1190 176.1612 69 T 4.7380 8.4085 119.6186 61.9256 73.1102 175.0127 70 R 4.0508 8.8829 123.1677 59.8404 30.2741 178.9844 71 D 4.4550 8.0451 116.0412 57.2764 40.9445 177.0195 72 D 4.7556 8.3934 117.5617 55.5091 40.9852 177.2836 73 S 4.5937 6.9711 113.6039 57.2984 64.4745 173.6327 74 G 3.9227 8.9265 106.2258 45.6415 0.0000 171.6616 75 T 4.8835 7.9452 114.5648 62.5875 69.9422 174.5080 76 Y 4.6886 9.4038 122.9934 56.3600 41.4347 174.4382 77 N 5.4731 8.6057 117.8820 51.6592 42.3155 173.8291 78 V 4.3701 8.8088 124.0191 61.6198 33.8311 174.6885 79 T 4.8428 8.4371 123.3305 62.0228 71.8688 173.1655 80 V 4.4864 8.3067 126.8133 61.2785 34.1631 174.0964 81 Y 5.7744 8.6989 123.0220 55.1658 41.9857 175.5426 82 S 4.6061 8.6174 117.2870 57.3149 65.0433 175.0970 83 T 3.8652 8.5360 116.5053 66.8574 68.2088 175.4366 84 N 4.2955 7.5183 119.0337 56.4385 38.9065 175.3784 85 G 4.1432 7.9338 103.3771 45.2986 0.0000 174.1270 86 T 4.0945 7.7223 110.8900 61.3592 69.3579 174.4185 87 R 4.0574 8.3264 124.3281 55.6912 28.5969 175.9194 88 I 3.9030 8.0340 124.1108 63.3537 37.7932 175.7770 89 L 4.7054 7.7381 122.2994 53.6119 45.8931 175.1814 90 D 5.2193 8.5149 123.2896 53.2721 42.2650 173.9721 91 K 4.8158 9.1968 123.5313 53.9604 36.0538 174.5167 92 A 5.2591 8.4645 122.3237 50.2642 22.1160 175.6143 93 L 4.7221 9.2404 120.3796 53.1820 45.9166 175.7787 94 D 5.1150 8.7585 123.5782 52.5726 41.3658 174.9335 95 L 4.2022 8.5642 126.3609 54.6962 43.0260 175.8406 96 R 4.7980 8.5416 125.0076 54.3112 33.2005 175.1332 97 I 4.2401 8.1459 122.3504 60.0511 38.2872 175.9791 98 L 4.2570 8.3718 125.1711 54.4429 42.4109 176.8847 99 E 4.6958 8.4542 119.8817 57.5274 30.4168 176.7706 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 5 T 8.17 4.25 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 1.25 0.00 0.00 6 V 7.97 4.35 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 0.81 0.00 0.00 0.88 0.00 0.00 7 W 8.83 4.83 0.00 3.26 3.12 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 0.00 0.00 0.00 8 G 8.41 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 9 A 8.51 4.31 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 10 L 8.27 4.29 0.00 1.65 1.61 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.84 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 0.00 0.00 0.00 0.00 12 H 7.32 4.69 0.00 3.21 3.27 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.21 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 14 I 7.77 4.53 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 1.39 0.71 0.85 0.00 0.00 15 N 8.53 4.65 0.00 2.69 2.66 0.00 0.00 7.02 7.85 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 16 L 7.99 4.19 0.00 0.73 1.49 0.71 1.04 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 17 N 8.53 4.52 0.00 2.78 2.83 0.00 0.00 7.05 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 18 I 8.38 4.25 1.96 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.18 1.06 0.00 0.00 19 P 0.00 4.38 0.00 2.24 2.11 0.00 3.98 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 20 N 8.84 4.24 0.00 2.90 2.94 0.00 0.00 6.90 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 21 F 7.65 4.79 0.00 3.10 3.13 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 0.00 0.00 0.00 0.00 22 Q 6.40 3.87 0.00 1.73 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 23 M 8.43 3.97 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 24 T 7.96 4.68 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 1.14 0.00 0.00 25 D 8.51 4.54 0.00 2.71 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 26 D 7.75 4.47 0.00 2.67 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 27 I 7.51 3.86 2.17 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.03 1.18 0.00 0.00 28 D 9.02 4.82 0.00 2.84 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 29 E 8.07 5.90 0.00 1.94 1.75 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 2.18 2.45 0.00 30 V 8.56 4.39 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 0.82 0.00 0.00 0.96 0.00 0.00 31 R 8.47 5.08 0.00 1.83 1.96 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 32 W 9.51 4.57 0.00 3.43 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 33 E 8.77 5.05 0.00 1.79 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 2.23 2.31 0.00 34 R 8.78 4.38 0.00 1.88 1.82 0.00 3.19 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 35 G 8.39 4.10 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 0.00 0.00 0.00 36 S 8.69 4.28 0.00 3.98 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 37 T 7.51 3.88 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 1.21 0.00 0.00 38 L 8.40 4.45 0.00 1.59 1.58 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.67 4.08 2.32 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 0.79 0.00 0.00 1.00 0.00 0.00 40 A 7.95 4.91 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 41 E 8.84 5.02 0.00 1.93 1.80 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 2.16 2.34 0.00 42 F 9.49 4.99 0.00 3.19 3.02 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 43 K 7.36 4.51 0.00 1.76 1.44 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.58 7.81 44 R 8.77 3.87 0.00 1.82 1.92 0.00 3.40 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 45 K 8.70 4.17 0.00 1.82 1.72 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.40 7.81 *48 P 0.00 4.41 0.00 2.12 2.03 0.00 3.83 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 49 F 8.58 4.60 0.00 2.96 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 50 L 7.18 4.33 0.00 1.42 1.55 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.48 3.83 0.00 1.56 1.91 0.00 1.69 0.00 0.00 1.98 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.54 7.81 52 S 7.97 4.74 0.00 3.98 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 53 G 8.60 3.65 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 0.00 0.00 0.00 54 A 7.82 3.91 0.75 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 0.00 0.00 55 F 7.13 5.26 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 56 E 8.51 4.54 0.00 1.97 1.77 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 2.17 2.21 0.00 57 I 8.49 4.59 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 1.36 1.12 0.93 0.00 0.00 58 L 9.00 4.37 0.00 1.72 1.59 0.98 nan 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 59 A 8.48 4.14 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 60 N 8.29 4.76 0.00 2.83 2.90 0.00 0.00 6.22 7.00 0.00 0.00 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 8.08 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 62 D 7.83 4.51 0.00 2.61 2.61 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 63 L 8.38 4.72 0.00 1.66 1.53 0.99 0.68 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 64 K 8.95 4.43 0.00 1.86 1.89 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.37 7.81 65 I 8.25 4.40 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.71 0.85 0.00 0.00 66 K 9.13 3.98 0.00 1.56 1.82 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.47 7.81 67 N 7.68 4.80 0.00 2.57 2.67 0.00 0.00 6.83 7.85 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 68 L 8.32 4.28 0.00 1.56 1.55 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.41 4.74 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 1.25 0.00 0.00 70 R 8.88 4.05 0.00 1.92 2.02 0.00 3.18 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 1.74 1.75 0.00 71 D 8.05 4.45 0.00 2.70 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 72 D 8.39 4.76 0.00 2.85 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 73 S 6.97 4.59 0.00 4.05 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 74 G 8.93 3.92 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 0.00 0.00 0.00 75 T 7.95 4.88 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 1.36 0.00 0.00 76 Y 9.40 4.69 0.00 2.86 2.87 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 77 N 8.61 5.47 0.00 2.55 2.68 0.00 0.00 6.79 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 78 V 8.81 4.37 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 0.97 0.00 0.00 1.01 0.00 0.00 79 T 8.44 4.84 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 1.02 0.00 0.00 80 V 8.31 4.49 2.00 0.00 0.00 0.00 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 0.90 0.00 0.00 81 Y 8.70 5.77 0.00 2.78 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 82 S 8.62 4.61 0.00 4.03 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 83 T 8.54 3.87 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 1.23 0.00 0.00 84 N 7.52 4.30 0.00 2.74 2.88 0.00 0.00 7.48 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 85 G 7.93 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 0.00 0.00 0.00 0.00 86 T 7.72 4.09 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 1.29 0.00 0.00 87 R 8.33 4.06 0.00 1.84 1.87 0.00 3.14 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.00 88 I 8.03 3.90 1.92 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 1.39 0.92 0.88 0.00 0.00 89 L 7.74 4.71 0.00 1.65 1.35 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.51 5.22 0.00 2.56 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 91 K 9.20 4.82 0.00 1.68 1.66 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.48 7.81 92 A 8.46 5.26 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 93 L 9.24 4.72 0.00 1.57 1.53 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.76 5.12 0.00 2.55 2.66 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 95 L 8.56 4.20 0.00 1.63 1.82 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.54 4.80 0.00 1.80 1.79 0.00 3.26 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.84 0.00 97 I 8.15 4.24 1.88 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 1.43 0.39 0.92 0.00 0.00 98 L 8.37 4.26 0.00 1.63 1.59 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.45 4.70 0.00 1.94 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 2.06 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.