NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -13 G 3.9316 8.2127 109.7378 45.6576 0.0000 175.8369 -12 V 3.3841 7.7301 121.2797 64.0954 32.3294 175.9126 -11 D 4.4827 9.0481 118.7434 56.8910 41.8960 176.3308 -10 L 4.4594 7.8624 115.7882 54.4857 42.8796 176.9101 -9 G 3.9853 7.8234 109.0576 46.1672 0.0000 174.6764 -8 T 4.0766 8.4134 111.0034 63.7935 69.0371 176.8294 -7 E 3.9726 8.1394 122.3584 59.3504 29.8206 177.9630 -6 N 4.3938 8.1750 116.5341 56.8374 39.1046 176.5602 -5 L 4.1342 8.0856 120.3598 57.9088 41.4478 178.9589 -4 Y 4.3867 8.3888 119.1250 60.6779 38.8577 177.3016 -3 F 4.1398 8.0184 120.3244 61.5646 39.5576 176.7940 -2 Q 3.7612 8.4350 116.8188 58.4057 28.7103 179.6299 -1 S 4.2913 7.6948 115.5732 58.3353 63.3243 175.6752 *26 R 3.9771 8.0293 122.7195 57.3969 32.1979 178.3777 27 F 4.3647 7.6321 115.9827 60.9241 38.9564 176.9410 28 H 4.1687 8.3790 117.3472 59.4260 29.6522 177.0837 29 L 3.8740 7.7781 120.1724 57.7497 41.5680 179.2402 30 E 3.9667 8.3814 118.6809 59.3659 29.4791 179.4244 31 I 3.7840 8.0157 120.1157 64.4118 37.1060 178.1991 32 Q 4.0247 8.1968 120.6338 59.2290 28.8205 178.0751 33 E 3.8626 8.1432 120.3284 59.1217 29.5769 178.4318 34 E 4.0289 8.1125 119.4858 59.1130 29.7013 178.5953 35 E 3.4010 8.5713 119.1655 59.3354 29.3208 179.4364 36 T 3.7854 8.0235 115.9773 66.5660 68.5133 176.8279 37 K 3.9245 8.1079 120.3770 59.4793 32.0280 178.5469 38 C 4.2414 8.4445 118.5251 59.7148 41.6332 175.2329 39 A 3.9325 8.2887 122.7254 55.4997 17.8450 179.5343 40 E 3.9088 8.4281 116.9890 59.2879 29.2642 179.2064 41 L 3.9539 8.3407 120.8288 58.3817 41.9573 179.1881 42 L 4.0652 7.9139 117.5251 57.5699 41.6290 179.1961 43 R 4.0593 8.0967 119.1926 59.4114 29.8821 178.7588 44 S 4.2200 8.2103 112.6291 60.5309 62.7620 175.3779 45 Q 4.5329 7.4232 120.2158 55.8802 28.6599 177.1218 46 T 3.7056 7.7038 119.1184 65.3213 67.8365 176.4235 47 E 4.0708 8.2592 116.7774 58.7342 29.8992 182.2722 48 K 4.2419 7.1522 117.7330 56.6739 32.6097 177.0924 49 H 4.8896 8.1700 117.8156 53.8203 29.0292 173.6211 50 K 4.2230 8.0598 121.2774 55.4210 33.2730 177.3224 51 A 3.9806 8.6826 124.6847 55.2800 18.4617 178.6158 52 C 4.6322 8.0708 116.1893 55.0777 41.6814 174.2804 53 S 4.9005 8.7796 119.1959 57.2491 64.3522 174.1621 54 G 4.0307 8.7847 108.0563 46.9263 0.0000 173.3214 55 V 4.8887 8.8994 116.8166 59.3455 36.8059 173.9689 56 W 5.2681 8.7421 131.8704 55.8704 32.4153 174.4151 57 D 4.5081 8.8155 124.9900 54.3649 44.1761 174.3607 58 N 4.0559 9.2918 120.6931 54.9484 36.1389 173.9580 59 I 2.9363 7.3697 110.5376 62.0571 35.3972 174.3916 60 T 3.8118 5.7900 114.2707 61.4892 72.3653 172.3938 61 C 4.8790 8.0022 125.5080 55.8656 41.7423 172.6818 62 W 4.5446 8.9769 126.8330 54.4008 30.5445 175.5705 63 R 4.4726 8.7008 121.6735 55.3714 29.7657 174.8889 64 P 4.9361 0.0000 0.0000 63.7371 32.1620 175.1959 65 A 4.8366 9.1165 123.3942 51.3077 23.4910 174.6378 66 N 5.1554 9.4480 116.3561 50.8578 42.1189 175.1552 67 V 3.7393 8.1954 120.0708 65.0438 31.7961 176.5592 68 G 3.9911 8.8863 115.4196 45.0812 0.0000 173.4596 69 E 4.4212 8.0594 119.5777 56.2966 31.1407 175.7534 70 T 5.0912 8.4837 118.5122 61.9163 71.5254 173.3862 71 V 4.5141 9.1498 127.0118 61.6805 33.6370 174.5500 72 T 5.2024 8.5806 123.5951 62.0195 71.6757 173.5832 73 V 4.6277 8.8679 118.6518 58.6145 36.5247 173.2273 74 P 5.1085 0.0000 0.0000 62.2450 32.0140 176.8673 75 C 4.3899 8.7497 119.1508 56.3789 37.2445 172.1854 76 P 4.3061 0.0000 0.0000 62.7492 31.2989 177.5887 77 K 4.0790 8.9519 124.2500 59.3622 32.2862 179.4390 78 V 3.8263 7.8568 117.3208 64.3171 31.1840 176.5947 79 F 5.4522 7.8553 118.4542 57.1159 39.6584 178.1665 80 S 3.9579 8.1989 119.8437 61.8694 62.7552 176.9438 81 N 4.2606 7.8651 115.5235 55.3040 38.5582 175.5431 82 F 4.5925 7.6248 115.9798 57.2920 39.4353 174.8301 83 Y 5.3974 7.4247 119.5019 57.2153 38.5513 175.7062 84 S 4.6698 8.7055 116.7606 58.1456 63.9740 173.4476 85 K 4.3735 7.5736 120.3773 54.9853 35.1088 175.2353 86 A 4.4059 8.4794 125.7647 51.0280 18.4094 176.7373 87 G 4.2457 8.0873 108.5547 44.3696 0.0000 170.4566 88 N 5.6628 8.5737 118.9247 51.0055 42.6313 173.3877 89 I 4.6788 8.7744 114.7017 59.4726 41.2946 174.4561 90 S 5.2868 8.2248 117.3936 57.1384 67.5934 173.2150 91 K 4.8820 8.9213 120.2216 54.8653 36.6093 174.9959 92 N 5.4585 9.4856 120.5148 52.0767 41.2418 173.3084 93 C 4.5966 9.0441 124.0559 55.5699 43.2791 172.7937 94 T 4.9861 8.5774 116.6393 59.1713 71.2406 174.9333 95 S 4.1833 8.4687 115.0280 60.6947 62.9736 174.6576 96 D 4.5321 7.5237 119.3840 53.8797 41.7049 175.4680 97 G 3.7877 7.9119 105.4550 43.3986 0.0000 172.6087 98 W 4.8668 8.4823 120.2896 56.7022 29.7303 176.8579 99 S 4.5801 9.1519 119.9059 57.6017 63.8299 173.6790 100 E 4.1856 8.6030 119.5699 56.5469 30.0492 177.2840 101 T 4.2173 8.2434 118.7637 63.6759 69.5015 174.1078 102 F 5.0551 8.7810 120.2594 54.4847 41.5670 172.6756 103 P 5.1283 0.0000 0.0000 61.8586 32.5233 175.6961 104 D 4.5480 8.7017 120.0194 53.4477 40.1764 177.0863 105 F 3.9326 9.1591 122.6596 61.8145 39.2296 177.7320 106 V 3.5980 7.9444 116.9170 66.2273 31.4776 177.5252 107 D 4.3615 8.2812 117.8493 57.0838 40.4735 178.6721 108 A 4.0336 8.5466 121.7061 54.7771 18.1846 178.3026 109 C 4.0127 7.6742 112.4690 55.6988 38.3209 173.9016 110 G 3.8914 7.4065 107.2325 45.9328 0.0000 172.6959 111 Y 5.4748 8.0878 120.3943 56.6385 39.6082 174.5742 112 S 4.3979 7.8123 119.3502 57.2186 66.2409 172.7344 113 D 4.7128 8.2305 120.3492 51.3197 40.9230 174.7747 114 P 4.4501 0.0000 0.0000 62.9820 31.6906 175.3921 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 -13 G 8.21 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 0.00 0.00 0.00 -12 V 7.73 3.38 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 -11 D 9.05 4.48 0.00 2.68 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 -10 L 7.86 4.46 0.00 1.76 1.70 0.93 0.88 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 -9 G 7.82 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 -8 T 8.41 4.08 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 -7 E 8.14 3.97 0.00 2.09 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 0.00 2.44 2.42 0.00 -6 N 8.17 4.39 0.00 2.90 2.98 0.00 0.00 7.13 6.66 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 -5 L 8.09 4.13 0.00 1.81 1.77 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 8.39 4.39 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 -3 F 8.02 4.14 0.00 2.98 3.24 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 -2 Q 8.43 3.76 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.43 0.00 0.00 0.00 0.00 0.00 2.78 2.55 0.00 -1 S 7.69 4.29 0.00 4.13 4.15 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 0.00 0.00 0.00 *26 R 8.03 3.98 0.00 1.36 1.80 0.00 2.73 0.00 0.00 2.94 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.65 0.00 27 F 7.63 4.36 0.00 3.16 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 28 H 8.38 4.17 0.00 3.30 3.33 0.00 5.87 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 29 L 7.78 3.87 0.00 1.79 1.66 0.85 0.96 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 30 E 8.38 3.97 0.00 2.06 1.98 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 2.31 2.44 0.00 31 I 8.02 3.78 1.97 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 1.42 0.50 1.09 0.00 0.00 32 Q 8.20 4.02 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 33 E 8.14 3.86 0.00 2.20 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 0.00 2.30 2.35 0.00 34 E 8.11 4.03 0.00 2.44 2.30 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 2.38 2.55 0.00 35 E 8.57 3.40 0.00 1.82 1.52 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 1.47 1.58 0.00 36 T 8.02 3.79 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 1.18 0.00 0.00 37 K 8.11 3.92 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.60 7.81 38 C 8.44 4.24 0.00 3.31 3.26 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 39 A 8.29 3.93 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 40 E 8.43 3.91 0.00 2.13 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 0.00 2.55 2.45 0.00 41 L 8.34 3.95 0.00 1.82 1.87 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.91 4.07 0.00 1.70 1.77 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.10 4.06 0.00 2.02 2.08 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 44 S 8.21 4.22 0.00 4.07 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 45 Q 7.42 4.53 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 46 T 7.70 3.71 4.47 0.00 0.00 0.00 0.00 0.00 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 47 E 8.26 4.07 0.00 2.03 1.85 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 2.23 1.90 0.00 48 K 7.15 4.24 0.00 1.81 1.77 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.29 7.81 49 H 8.17 4.89 0.00 3.11 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.06 4.22 0.00 1.77 1.93 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.41 7.81 51 A 8.68 3.98 1.18 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 0.00 0.00 0.00 52 C 8.07 4.63 0.00 1.84 1.18 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 0.00 53 S 8.78 4.90 0.00 4.00 3.96 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 54 G 8.78 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 55 V 8.90 4.89 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 0.90 0.00 0.00 0.46 0.00 0.00 56 W 8.74 5.27 0.00 3.37 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 57 D 8.82 4.51 0.00 2.69 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 0.00 0.00 0.00 0.00 58 N 9.29 4.06 0.00 2.94 2.82 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 59 I 7.37 2.94 1.67 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.11 0.97 0.00 0.00 60 T 5.79 3.81 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 -0.02 0.00 0.00 61 C 8.00 4.88 0.00 3.16 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 62 W 8.98 4.54 0.00 2.75 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 0.00 0.00 0.00 0.00 63 R 8.70 4.47 0.00 1.93 2.01 0.00 3.17 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 64 P 0.00 4.94 0.00 2.19 2.14 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.31 0.00 65 A 9.12 4.84 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 66 N 9.45 5.16 0.00 2.55 2.66 0.00 0.00 7.04 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 67 V 8.20 3.74 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 0.72 0.00 0.00 0.86 0.00 0.00 68 G 8.89 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 69 E 8.06 4.42 0.00 2.05 1.94 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 2.34 2.41 0.00 70 T 8.48 5.09 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 1.43 0.00 0.00 71 V 9.15 4.51 2.53 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 1.23 0.00 0.00 1.35 0.00 0.00 72 T 8.58 5.20 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 1.24 0.00 0.00 73 V 8.87 4.63 1.84 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 0.43 0.00 0.00 0.47 0.00 0.00 74 P 0.00 5.11 0.00 2.05 2.02 0.00 3.29 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 1.93 1.80 0.00 75 C 8.75 4.39 0.00 2.55 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 76 P 0.00 4.31 0.00 2.21 1.91 0.00 3.91 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 2.39 2.10 0.00 77 K 8.95 4.08 0.00 1.92 1.91 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.02 7.81 78 V 7.86 3.83 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 -0.29 0.00 0.00 1.10 0.00 0.00 79 F 7.86 5.45 0.00 3.23 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 80 S 8.20 3.96 0.00 3.89 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 81 N 7.87 4.26 0.00 2.02 2.46 0.00 0.00 6.84 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 82 F 7.62 4.59 0.00 3.12 2.70 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 83 Y 7.42 5.40 0.00 3.12 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 84 S 8.71 4.67 0.00 4.03 4.11 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 85 K 7.57 4.37 0.00 1.66 1.61 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.26 1.41 7.81 86 A 8.48 4.41 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 87 G 8.09 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 88 N 8.57 5.66 0.00 2.56 2.70 0.00 0.00 6.54 7.32 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 89 I 8.77 4.68 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.39 0.90 0.00 0.00 90 S 8.22 5.29 0.00 2.72 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 91 K 8.92 4.88 0.00 1.22 1.64 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.64 0.21 7.81 92 N 9.49 5.46 0.00 2.73 2.79 0.00 0.00 6.73 7.25 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 93 C 9.04 4.60 0.00 2.20 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 94 T 8.58 4.99 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 1.20 0.00 0.00 95 S 8.47 4.18 0.00 3.96 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 96 D 7.52 4.53 0.00 2.64 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 97 G 7.91 3.79 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 0.00 0.00 0.00 98 W 8.48 4.87 0.00 3.14 2.93 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 99 S 9.15 4.58 0.00 3.91 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 0.00 100 E 8.60 4.19 0.00 1.89 1.94 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 2.32 2.29 0.00 101 T 8.24 4.22 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 1.28 0.00 0.00 102 F 8.78 5.06 0.00 2.98 3.06 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 0.00 103 P 0.00 5.13 0.00 1.98 2.10 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 104 D 8.70 4.55 0.00 2.89 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 0.00 105 F 9.16 3.93 0.00 3.16 3.10 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 0.00 106 V 7.94 3.60 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 1.12 0.00 0.00 1.11 0.00 0.00 107 D 8.28 4.36 0.00 2.88 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 0.00 108 A 8.55 4.03 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 0.00 109 C 7.67 4.01 0.00 2.36 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 0.00 0.00 0.00 110 G 7.41 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 0.00 0.00 0.00 111 Y 8.09 5.47 0.00 3.11 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 0.00 112 S 7.81 4.40 0.00 3.76 3.72 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 0.00 0.00 0.00 113 D 8.23 4.71 0.00 2.59 2.39 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 0.00 114 P 0.00 4.45 0.00 2.22 2.08 0.00 3.92 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.