NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 H 4.8660 8.4449 120.6712 56.0026 32.2328 175.6710 17 M 4.4398 9.5136 113.8658 54.9408 33.9292 174.6897 18 F 5.5057 9.8652 123.3412 56.7632 43.9836 172.8303 19 M 5.2098 8.1668 123.7742 53.5892 35.4656 173.7991 20 A 4.9546 8.8555 126.8481 49.9537 22.6091 174.5235 21 E 5.1449 9.4444 121.7053 54.4257 33.4249 174.1255 22 N 5.3912 9.3672 125.9735 52.1171 40.9137 172.9111 23 R 4.9343 9.2291 128.6848 55.1107 31.7683 174.7991 24 L 5.2573 9.1611 126.9826 53.0592 44.8224 175.3580 25 Q 4.9918 8.9177 122.5458 54.3037 31.0961 174.9436 26 L 5.2754 8.9045 123.6148 52.2553 45.9308 175.6053 27 Q 4.3384 8.8979 122.2877 56.0193 30.0820 175.8207 28 K 4.0766 8.7073 127.2132 58.5413 32.3794 176.7121 29 G 4.0019 9.7336 115.8705 45.3415 0.0000 173.7241 30 S 4.6181 8.2915 113.5856 58.3628 64.0180 176.0111 31 A 4.0204 8.7659 125.9777 55.7456 18.3256 179.5470 32 E 3.9050 8.3885 113.7115 59.3514 29.5421 178.3972 33 E 4.2904 8.0684 113.9745 57.5126 30.7941 177.4407 34 T 4.1905 7.5940 116.2341 65.1996 69.4694 176.2079 35 I 3.9013 8.3030 121.0291 64.6490 37.9949 177.4746 36 E 2.5400 7.9260 118.4859 58.8429 28.9528 179.4631 37 R 3.7681 7.2292 116.0836 58.9492 29.2200 178.2547 38 F 4.7398 7.4205 115.9874 58.8776 39.1189 176.2650 39 Y 4.7367 7.6476 116.0509 58.2291 37.9631 174.9358 40 N 4.5661 7.5633 119.9164 53.2206 39.5409 175.0258 41 R 3.9545 8.7924 125.4775 57.5296 30.8194 176.7702 42 Q 3.7593 8.9530 115.3467 57.1009 26.8674 174.4508 43 G 4.2522 8.1541 101.6275 47.0335 0.0000 175.4683 44 I 2.7707 7.2937 122.2445 63.1242 38.1098 177.3435 45 E 3.8680 7.5190 116.4636 57.2849 29.7025 177.6089 46 T 4.3283 7.5292 109.3752 62.2406 69.7313 174.6012 47 I 4.3073 7.5301 124.8809 59.9614 38.0694 174.8886 48 E 4.2819 8.8474 126.8926 57.6968 30.0332 176.3767 49 G 4.7078 9.1231 113.6022 47.3473 0.0000 173.2047 50 F 3.8639 8.1162 122.2613 58.2614 39.9177 173.5960 51 Q 4.0631 7.3181 125.6202 56.9773 30.8717 175.7066 52 Q 4.1649 6.2246 114.9879 54.5765 33.7497 173.1842 53 M 5.3035 7.9683 119.5070 54.1778 35.5572 174.1034 54 F 4.9117 9.7028 123.9146 55.6125 43.4998 174.0401 55 V 5.0809 8.5683 121.7433 61.4872 33.7084 174.5519 56 T 4.8506 9.1956 118.1920 59.6774 72.3819 172.7595 57 K 5.0521 8.4005 123.0887 54.7515 34.6043 175.7182 58 T 4.1189 8.7709 125.4393 63.5210 68.8323 174.7553 59 L 4.2261 8.5746 126.0553 55.4060 42.5747 175.8901 60 N 4.2258 8.5767 116.1661 54.4797 36.1816 174.6429 61 T 4.4420 7.8853 106.2134 60.9960 70.5166 173.6178 62 E 4.5306 8.5614 121.5682 58.1915 31.8035 177.4707 63 D 4.4829 8.1561 117.2181 57.4267 41.0310 175.6207 64 T 4.5917 7.3760 106.0906 61.1569 71.9640 172.3901 65 D 4.9371 8.7837 121.2169 52.9039 43.1379 175.6096 66 E 5.1051 8.7187 122.8945 54.4053 32.6274 174.3822 67 V 4.9754 8.7679 126.7901 61.0624 34.6858 174.3072 68 K 5.0946 9.0196 125.7649 54.6594 36.3258 175.2382 69 I 4.9272 8.6962 124.8008 59.8192 39.7393 174.3488 70 L 5.3248 9.2587 128.7037 53.0648 44.1788 175.8334 71 T 5.0995 8.9985 113.9489 59.9707 71.7652 172.7732 72 I 4.8568 8.4212 126.8620 59.5313 39.3355 174.8589 73 W 5.5705 9.5806 126.2049 54.6478 33.2501 176.2002 74 E 4.5023 9.5134 120.0754 58.8550 30.0160 176.6385 75 S 4.9825 7.8974 112.8724 56.1917 65.4282 175.7352 76 E 2.6809 8.2755 121.5073 58.7432 29.0677 178.7402 77 D 4.2255 7.8382 118.9047 57.1734 41.0044 178.4322 78 S 4.1496 7.7969 115.8559 61.5960 62.9268 176.5327 79 F 2.3838 7.2939 122.6593 60.8664 39.0388 176.8613 80 N 3.8652 7.9055 115.9836 56.2520 38.0304 177.1381 81 N 4.2478 7.9320 117.1877 55.8147 38.9450 176.9119 82 W 4.4983 7.6999 129.5643 60.6066 30.5973 178.0537 83 L 2.0000 6.7333 117.4206 56.5372 40.9150 178.2803 84 N 4.6081 7.2340 113.7093 52.2987 39.1152 175.8825 85 S 4.5258 6.9651 117.2241 57.7824 65.6109 174.8794 86 D 4.3800 8.4762 121.8423 57.4983 40.7331 179.3969 87 V 3.3889 7.8939 112.4784 64.1953 31.2945 178.2896 88 F 3.6792 7.6250 119.9894 60.6570 39.2455 177.0159 89 K 3.9046 7.6878 118.0403 59.4065 32.1248 177.7488 90 E 4.0188 8.6435 118.9683 60.4646 29.9301 178.0476 91 A 4.3791 7.6059 117.6264 52.4523 21.0658 174.9356 92 H 3.4966 8.3073 115.7143 56.3658 25.9444 173.9125 *101 D 4.3714 7.9797 122.2415 53.3123 42.0051 175.0345 102 D 4.4664 8.5669 121.2426 56.3884 41.4277 176.8846 103 G 4.0054 8.8853 113.9506 45.3063 0.0000 173.6430 104 Q 3.9442 8.0456 121.2383 56.0367 29.4066 175.7516 105 Q 4.0772 8.5420 126.6288 55.5872 29.6812 175.5677 106 S 4.2626 8.5637 120.5909 57.9443 63.1195 172.0361 107 P 4.5211 0.0000 0.0000 64.5941 32.7089 175.4780 108 I 4.4728 7.4099 122.4055 61.0172 36.8270 175.8363 109 L 4.4761 9.3148 129.1572 57.0065 42.5200 177.5379 110 S 4.7380 7.8090 110.9827 57.0906 66.8162 173.3281 111 N 5.3068 8.6622 119.4934 52.6005 40.9990 173.2717 112 K 4.7840 9.4066 125.7093 54.4521 36.5899 175.4016 113 V 5.0731 7.9992 120.5649 61.3213 34.2169 174.6447 114 F 4.8184 9.2662 124.8916 55.5559 43.1083 173.9716 115 K 4.8469 8.2778 119.8263 54.8787 35.4217 175.1776 116 Y 4.8320 8.3657 120.0205 56.4741 42.6752 173.7763 117 D 5.1232 8.8326 122.0098 53.2700 42.6845 176.3284 118 I 4.1680 8.5059 125.0904 60.1174 36.7837 176.2542 119 G 3.8260 8.8759 117.2954 47.7708 0.0000 172.0746 120 Y 4.8947 7.5636 118.8235 56.7142 41.7392 173.0271 121 H 4.6751 7.5660 124.8289 54.6609 33.1498 171.8134 122 Y 4.2760 7.7180 125.6198 55.8325 41.6591 173.7451 123 Q 4.3246 7.4333 126.9174 53.6104 31.7757 174.6086 124 K 4.0795 8.7500 125.0732 56.7800 32.2050 176.1369 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 16 H 8.44 4.87 0.00 3.19 3.03 0.00 5.90 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 9.51 4.44 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 18 F 9.87 5.51 0.00 3.10 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 19 M 8.17 5.21 0.00 1.96 1.72 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 20 A 8.86 4.95 0.76 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 0.00 0.00 21 E 9.44 5.14 0.00 2.21 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 0.00 2.39 2.31 0.00 22 N 9.37 5.39 0.00 3.05 2.79 0.00 0.00 6.47 8.38 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 23 R 9.23 4.93 0.00 2.29 2.08 0.00 3.25 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 24 L 9.16 5.26 0.00 1.51 1.47 0.10 0.81 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 25 Q 8.92 4.99 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 26 L 8.90 5.28 0.00 1.61 1.59 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.90 4.34 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 28 K 8.71 4.08 0.00 1.91 1.75 0.00 2.01 0.00 0.00 1.98 0.00 0.00 3.26 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.53 7.81 29 G 9.73 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 30 S 8.29 4.62 0.00 4.03 4.13 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 31 A 8.77 4.02 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.39 3.90 0.00 1.96 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 2.34 2.42 0.00 33 E 8.07 4.29 0.00 2.04 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 2.35 2.32 0.00 34 T 7.59 4.19 4.35 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 1.24 0.00 0.00 35 I 8.30 3.90 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.91 0.00 0.00 36 E 7.93 2.54 0.00 1.77 1.69 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 2.08 2.14 0.00 37 R 7.23 3.77 0.00 1.68 1.84 0.00 2.21 0.00 0.00 2.77 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.50 0.00 38 F 7.42 4.74 0.00 3.32 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 39 Y 7.65 4.74 0.00 3.02 2.96 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 40 N 7.56 4.57 0.00 2.76 2.80 0.00 0.00 7.18 8.62 0.00 0.00 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 R 8.79 3.95 0.00 1.86 1.89 0.00 3.40 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 42 Q 8.95 3.76 0.00 2.45 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.27 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 43 G 8.15 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 0.00 0.00 0.00 0.00 44 I 7.29 2.77 1.16 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.36 -0.17 0.00 0.00 45 E 7.52 3.87 0.00 2.14 1.87 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 2.30 2.18 0.00 46 T 7.53 4.33 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 1.26 0.00 0.00 47 I 7.53 4.31 2.35 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 1.25 0.00 0.00 48 E 8.85 4.28 0.00 1.99 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 0.00 2.35 2.45 0.00 49 G 9.12 4.71 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 0.00 0.00 0.00 50 F 8.12 3.86 0.00 2.64 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 51 Q 7.32 4.06 0.00 1.58 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.45 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 52 Q 6.22 4.16 0.00 1.70 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 53 M 7.97 5.30 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 54 F 9.70 4.91 0.00 2.90 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 55 V 8.57 5.08 2.11 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 1.22 0.00 0.00 1.11 0.00 0.00 56 T 9.20 4.85 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 1.22 0.00 0.00 57 K 8.40 5.05 0.00 1.82 1.75 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.34 1.48 7.81 58 T 8.77 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 1.23 0.00 0.00 59 L 8.57 4.23 0.00 1.63 1.59 0.92 1.09 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 60 N 8.58 4.23 0.00 2.83 2.89 0.00 0.00 6.95 7.54 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 61 T 7.89 4.44 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 1.26 0.00 0.00 62 E 8.56 4.53 0.00 1.95 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 0.00 2.20 2.29 0.00 63 D 8.16 4.48 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.38 4.59 4.53 0.00 0.00 0.00 0.00 0.00 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 65 D 8.78 4.94 0.00 2.75 2.65 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 66 E 8.72 5.11 0.00 2.11 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 2.25 2.27 0.00 67 V 8.77 4.98 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 0.73 0.00 0.00 1.03 0.00 0.00 68 K 9.02 5.09 0.00 1.70 1.64 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.37 7.81 69 I 8.70 4.93 1.99 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 1.09 0.00 0.00 70 L 9.26 5.32 0.00 1.68 1.58 0.68 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.00 5.10 4.35 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 1.42 0.00 0.00 72 I 8.42 4.86 1.64 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 1.37 1.07 0.84 0.00 0.00 73 W 9.58 5.57 0.00 3.54 3.33 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 74 E 9.51 4.50 0.00 2.05 2.24 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 2.56 2.34 0.00 75 S 7.90 4.98 0.00 3.96 3.97 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 76 E 8.28 2.68 0.00 1.16 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.50 0.00 77 D 7.84 4.23 0.00 2.68 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 78 S 7.80 4.15 0.00 4.28 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 79 F 7.29 2.38 0.00 1.98 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 80 N 7.91 3.87 0.00 2.74 2.65 0.00 0.00 7.09 6.54 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 81 N 7.93 4.25 0.00 2.87 2.89 0.00 0.00 6.99 7.96 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 82 W 7.70 4.50 0.00 3.47 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 83 L 6.73 2.00 0.00 1.18 0.90 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.23 4.61 0.00 2.56 2.72 0.00 0.00 7.07 7.17 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 85 S 6.97 4.53 0.00 4.17 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 86 D 8.48 4.38 0.00 2.74 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 87 V 7.89 3.39 2.50 0.00 0.00 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 1.34 0.00 0.00 88 F 7.62 3.68 0.00 1.83 2.78 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 89 K 7.69 3.90 0.00 1.80 1.95 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.40 7.81 90 E 8.64 4.02 0.00 1.91 2.16 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 2.32 2.50 0.00 91 A 7.61 4.38 1.43 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 92 H 8.31 3.50 0.00 2.89 3.12 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 D 7.98 4.37 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.47 0.00 2.62 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 0.00 103 G 8.89 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.05 3.94 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 105 Q 8.54 4.08 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 106 S 8.56 4.26 0.00 3.89 3.77 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 0.00 107 P 0.00 4.52 0.00 2.20 2.30 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 108 I 7.41 4.47 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 1.00 0.00 0.00 109 L 9.31 4.48 0.00 1.62 1.74 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.81 4.74 0.00 3.88 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 0.00 111 N 8.66 5.31 0.00 2.74 2.75 0.00 0.00 6.81 6.68 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 0.00 112 K 9.41 4.78 0.00 1.85 1.43 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 113 V 8.00 5.07 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 0.91 0.00 0.00 1.04 0.00 0.00 114 F 9.27 4.82 0.00 2.99 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.85 0.00 1.58 1.86 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.41 7.81 116 Y 8.37 4.83 0.00 2.62 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 0.00 117 D 8.83 5.12 0.00 2.65 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 0.00 118 I 8.51 4.17 1.92 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 1.12 0.51 0.97 0.00 0.00 119 G 8.88 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 0.00 120 Y 7.56 4.89 0.00 2.88 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 0.00 121 H 7.57 4.68 0.00 2.94 2.96 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.72 4.28 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.43 4.32 0.00 1.86 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 124 K 8.75 4.08 0.00 1.88 1.71 0.00 1.91 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.