NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.6704 8.4444 117.3706 54.9265 29.0981 173.1626 7 R 4.0514 8.9975 115.2215 56.2012 29.4125 169.7658 8 L 3.7920 7.8035 121.8555 53.5500 42.4286 176.9863 9 S 4.2944 8.8869 121.9809 57.8510 64.8284 174.7187 10 A 3.9550 8.7152 125.8335 55.7270 18.0981 179.9680 11 E 4.0553 8.1875 116.8420 59.7655 29.5847 179.2329 12 E 4.7532 8.0524 119.3854 59.0548 29.4189 179.5348 13 R 3.9769 8.5346 121.0006 59.8343 29.9592 179.0663 14 D 4.5374 7.7761 119.0119 57.0207 40.0213 179.3488 15 Q 4.6936 7.7868 115.7205 57.7280 28.8543 177.5240 16 L 4.0701 7.9208 120.7190 57.1084 42.1040 178.8247 17 L 4.0008 8.1283 119.3082 57.3873 41.4052 177.6623 18 P 4.1947 0.0000 0.0000 66.2197 31.1721 177.5365 19 N 4.4792 8.0894 116.2188 55.5169 37.4387 176.5372 20 L 3.9693 7.3592 122.9137 57.9753 41.9326 179.0785 21 R 4.2760 9.0543 119.2978 58.7471 29.9599 178.6778 22 A 4.0658 7.6810 118.2100 54.4428 18.4509 178.7587 23 V 4.2701 8.9142 108.8608 60.9250 33.0976 175.3208 24 G 3.2406 7.5356 110.5052 44.7333 0.0000 173.4516 25 W 4.6996 8.0666 122.9168 56.3942 30.4064 175.0195 26 N 5.0858 9.6839 123.2293 51.6961 42.5461 172.1171 27 E 5.4023 8.5027 122.1573 53.6073 30.2250 175.4921 28 L 3.9362 8.7262 127.0134 55.4411 42.8333 176.4738 29 E 4.5799 9.5095 125.7056 53.2050 28.3746 175.3747 30 G 4.9390 7.3400 123.0584 45.6499 0.0000 170.3709 31 R 4.5728 6.7621 115.7802 53.8664 32.5450 175.4815 32 D 4.5131 8.4336 123.1378 54.0213 39.7625 174.4104 33 A 4.8581 7.8218 126.3213 50.7384 23.5120 174.0689 34 I 5.3420 8.6171 117.2168 60.0734 41.5706 175.0230 35 F 6.2101 9.7147 127.5019 56.0091 43.5331 173.1375 36 K 3.5958 6.1408 120.1182 55.1217 34.9862 173.0865 37 Q 4.5768 7.6973 127.7848 54.1033 31.0409 174.3570 38 F 4.8016 9.9490 125.0395 55.8468 42.5198 173.8512 39 H 5.1831 8.0226 120.0853 54.6059 32.5137 172.1010 40 F 4.9581 9.0836 122.9603 55.5194 43.0921 175.5316 41 K 4.0543 8.6655 120.1138 59.2397 32.1458 175.7534 42 D 3.6324 7.0412 113.0212 51.7043 42.1794 175.0880 43 F 4.5770 8.2333 118.8072 60.7825 39.5962 177.5618 44 N 4.1315 8.1103 116.6421 56.7194 38.6474 176.5923 45 R 3.8721 7.6976 117.4455 58.4281 30.1807 178.5482 46 A 3.3720 7.4344 119.9330 54.0202 18.5282 179.1751 47 F 3.6360 7.7088 119.6142 60.7084 39.4105 177.4738 48 G 3.8376 7.5748 104.9405 48.2716 0.0000 175.2529 49 F 4.1440 8.0364 123.5647 60.7220 39.0827 177.0802 50 M 3.5208 6.9118 117.3739 59.2624 31.9035 178.0976 51 T 3.4676 8.3707 114.2778 67.1694 68.0855 177.7755 52 R 3.7658 8.0499 118.8509 58.9196 30.3940 179.0791 53 V 3.8026 8.0316 117.9843 65.7241 31.4713 177.9759 54 A 3.9218 8.6636 121.3342 55.0971 18.1706 179.5352 55 L 3.8738 7.8428 116.9465 57.9709 41.7117 179.4874 56 Q 3.5604 7.5441 118.0464 58.7020 28.8308 177.6894 57 A 3.8912 8.2351 124.1208 54.4447 18.1525 178.9775 58 E 3.7344 7.8545 116.1306 59.3665 29.7365 178.5425 59 K 3.9126 7.7331 118.1082 59.8529 32.3429 178.5183 60 L 3.9207 8.2066 118.0230 55.3470 42.0376 176.5739 61 D 4.1550 8.1718 117.5333 55.1447 39.9554 173.6366 62 H 4.6323 7.5749 116.6831 54.8279 32.1498 171.0653 63 H 4.6160 8.3684 124.0257 53.3376 30.8098 172.7693 64 P 4.5550 0.0000 0.0000 61.9560 32.7120 174.6549 65 E 4.8114 8.1981 119.7870 54.8746 31.0657 175.2892 66 W 5.7194 9.0297 120.2873 55.4635 31.4087 173.6188 67 F 5.0150 9.4654 123.4046 56.5778 42.1484 173.0372 68 N 5.6569 7.9795 122.8683 52.4027 41.9010 172.2870 69 V 3.7876 8.7960 121.1802 62.8689 32.0447 174.9061 70 Y 4.4968 8.5692 117.4166 57.2273 41.0788 174.1891 71 N 5.2834 7.7630 115.6874 51.4336 38.9726 174.2772 72 K 5.6676 8.0850 118.0379 55.6372 36.1270 175.9601 73 V 5.0844 8.8149 124.5711 61.7327 35.0277 173.9904 74 H 5.2064 9.6109 121.9834 54.3466 33.0608 172.2599 75 I 5.3281 9.1960 125.2001 59.8819 40.4052 174.6491 76 T 6.0882 8.7244 122.2730 61.2327 71.6387 173.4105 77 L 4.9862 9.9118 125.0013 52.0861 45.7958 175.0125 78 S 5.6816 7.9672 119.1530 58.1447 64.3375 175.4748 79 T 4.5750 7.4637 123.5766 62.3353 69.5995 175.0941 80 H 4.0485 8.5186 126.5274 58.8685 30.3653 176.6439 81 E 4.1245 8.1742 116.7014 58.2078 29.4100 177.5305 82 C 4.4867 7.7895 110.2990 57.7278 31.9223 173.8956 83 A 3.6001 8.5432 121.9673 51.5388 15.6436 176.1680 84 G 4.2821 7.5816 108.4503 43.0888 0.0000 170.8475 85 L 4.1489 8.1215 119.7945 55.5367 42.3656 177.2630 86 S 4.6672 9.0537 114.1529 56.8136 66.2235 175.1688 87 E 3.7306 7.6042 118.8762 60.4929 28.7917 179.3817 88 R 3.8010 7.8606 117.5460 59.5035 30.1925 178.5502 89 D 4.4204 7.8724 118.2022 57.4825 40.7959 178.7551 90 I 3.6647 7.6380 117.8786 63.0907 37.1772 176.5986 91 N 4.8509 7.5808 115.5836 53.0355 39.6771 173.9991 92 L 4.6908 7.7767 118.8410 54.7212 43.9200 177.8173 93 A 3.8676 7.7682 119.9415 55.8986 18.4456 179.6133 94 S 4.1807 7.9340 112.9705 61.0787 63.1709 176.5862 95 F 4.0395 8.1603 123.3439 61.4122 39.0059 177.1922 96 I 4.1715 8.3108 119.3160 64.0578 36.5983 177.9629 97 E 4.2648 8.6100 121.0211 59.2275 28.9331 178.5752 98 Q 3.9371 7.9718 119.2920 58.7804 28.9936 177.8196 99 V 3.5068 7.3469 117.6891 66.0164 31.8078 177.5626 100 A 3.9814 7.7017 120.0042 55.1628 17.9426 179.8239 101 V 3.5745 7.0580 109.6178 64.8450 31.7271 178.4965 102 S 4.2129 7.5635 110.7312 59.4298 62.4463 175.2382 103 M 4.4127 8.2127 122.1997 55.5581 30.8092 176.3970 104 T 4.0920 9.4496 125.5397 64.9450 68.6817 173.5016 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 *6 H 8.44 4.67 0.00 2.95 2.79 0.00 7.21 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.00 4.05 0.00 1.93 2.04 0.00 3.54 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.85 0.00 8 L 7.80 3.79 0.00 1.74 1.60 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.89 4.29 0.00 4.12 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 10 A 8.72 3.96 1.33 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 0.00 0.00 11 E 8.19 4.06 0.00 2.09 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 2.33 2.39 0.00 12 E 8.05 4.75 0.00 2.13 1.99 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 2.39 2.33 0.00 13 R 8.53 3.98 0.00 1.83 1.98 0.00 3.13 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 14 D 7.78 4.54 0.00 2.74 2.58 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 0.00 0.00 0.00 15 Q 7.79 4.69 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 16 L 7.92 4.07 0.00 1.73 1.70 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.13 4.00 0.00 1.80 1.74 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.19 0.00 2.22 2.24 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.25 0.00 19 N 8.09 4.48 0.00 2.99 3.13 0.00 0.00 5.83 6.67 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 20 L 7.36 3.97 0.00 1.86 1.75 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.05 4.28 0.00 2.16 2.02 0.00 3.24 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 22 A 7.68 4.07 1.41 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 23 V 8.91 4.27 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 0.84 0.00 0.00 1.20 0.00 0.00 24 G 7.54 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 0.00 0.00 0.00 25 W 8.07 4.70 0.00 3.50 3.16 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 26 N 9.68 5.09 0.00 2.82 2.75 0.00 0.00 6.33 7.58 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 27 E 8.50 5.40 0.00 2.08 1.88 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 2.33 2.22 0.00 28 L 8.73 3.94 0.00 1.81 1.59 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 E 9.51 4.58 0.00 1.92 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 2.23 2.24 0.00 30 G 7.34 4.94 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 31 R 6.76 4.57 0.00 1.75 1.77 0.00 3.28 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 32 D 8.43 4.51 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 4.86 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 34 I 8.62 5.34 1.92 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 1.28 1.13 0.76 0.00 0.00 35 F 9.71 6.21 0.00 3.16 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 36 K 6.14 3.60 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.30 0.22 7.81 37 Q 7.70 4.58 0.00 1.86 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.54 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 38 F 9.95 4.80 0.00 2.75 1.99 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 39 H 8.02 5.18 0.00 2.94 2.90 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.08 4.96 0.00 2.78 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 41 K 8.67 4.05 0.00 1.69 1.83 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.39 7.81 42 D 7.04 3.63 0.00 2.74 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 43 F 8.23 4.58 0.00 3.26 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 44 N 8.11 4.13 0.00 2.77 2.74 0.00 0.00 7.25 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 45 R 7.70 3.87 0.00 1.77 1.70 0.00 3.19 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.86 0.00 46 A 7.43 3.37 1.45 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 0.00 0.00 47 F 7.71 3.64 0.00 2.41 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 48 G 7.57 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 49 F 8.04 4.14 0.00 2.63 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 0.00 0.00 0.00 0.00 50 M 6.91 3.52 0.00 1.07 1.21 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.93 0.00 51 T 8.37 3.47 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 1.19 0.00 0.00 52 R 8.05 3.77 0.00 1.95 1.97 0.00 3.36 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 53 V 8.03 3.80 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 0.73 0.00 0.00 0.86 0.00 0.00 54 A 8.66 3.92 1.42 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 55 L 7.84 3.87 0.00 1.84 1.71 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.54 3.56 0.00 1.25 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 57 A 8.24 3.89 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 0.00 0.00 0.00 0.00 0.00 58 E 7.85 3.73 0.00 2.01 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 0.00 2.32 2.35 0.00 59 K 7.73 3.91 0.00 1.67 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.45 7.81 60 L 8.21 3.92 0.00 1.64 1.62 0.80 0.97 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 61 D 8.17 4.16 0.00 2.65 2.63 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 62 H 7.57 4.63 0.00 3.08 3.00 0.00 5.89 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.37 4.62 0.00 3.03 3.04 0.00 5.94 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 64 P 0.00 4.56 0.00 1.26 1.64 0.00 3.23 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.01 0.00 65 E 8.20 4.81 0.00 2.33 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 2.33 2.28 0.00 66 W 9.03 5.72 0.00 3.44 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 67 F 9.47 5.02 0.00 3.28 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 68 N 7.98 5.66 0.00 2.53 2.39 0.00 0.00 7.06 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 69 V 8.80 3.79 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 0.91 0.00 0.00 1.01 0.00 0.00 70 Y 8.57 4.50 0.00 2.64 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 71 N 7.76 5.28 0.00 2.72 2.31 0.00 0.00 6.48 7.20 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 72 K 8.09 5.67 0.00 1.84 1.87 0.00 2.08 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.55 1.36 7.81 73 V 8.81 5.08 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 1.28 0.00 0.00 1.44 0.00 0.00 74 H 9.61 5.21 0.00 3.48 3.40 0.00 5.81 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.20 5.33 2.35 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.35 1.30 0.00 0.00 76 T 8.72 6.09 4.48 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 1.41 0.00 0.00 77 L 9.91 4.99 0.00 1.56 1.57 0.82 0.61 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 78 S 7.97 5.68 0.00 4.07 3.87 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 79 T 7.46 4.57 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 1.27 0.00 0.00 80 H 8.52 4.05 0.00 3.27 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.17 4.12 0.00 2.15 2.13 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 2.30 2.34 0.00 82 C 7.79 4.49 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 83 A 8.54 3.60 1.25 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 84 G 7.58 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 0.00 0.00 0.00 0.00 85 L 8.12 4.15 0.00 1.71 1.60 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.05 4.67 0.00 3.91 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 87 E 7.60 3.73 0.00 2.14 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 2.25 2.34 0.00 88 R 7.86 3.80 0.00 1.07 1.63 0.00 3.10 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 89 D 7.87 4.42 0.00 2.73 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 90 I 7.64 3.66 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.25 0.86 0.00 0.00 91 N 7.58 4.85 0.00 2.90 2.65 0.00 0.00 6.85 7.06 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 92 L 7.78 4.69 0.00 1.71 1.66 0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.77 3.87 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 94 S 7.93 4.18 0.00 3.92 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 95 F 8.16 4.04 0.00 3.10 3.15 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 96 I 8.31 4.17 2.38 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.08 1.41 0.00 0.00 97 E 8.61 4.26 0.00 2.59 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 0.00 2.50 2.51 0.00 98 Q 7.97 3.94 0.00 2.20 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 99 V 7.35 3.51 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 1.08 0.00 0.00 0.57 0.00 0.00 100 A 7.70 3.98 0.96 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 0.00 0.00 101 V 7.06 3.57 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 0.75 0.00 0.00 1.05 0.00 0.00 102 S 7.56 4.21 0.00 3.86 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 0.00 103 M 8.21 4.41 0.00 2.06 1.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 104 T 9.45 4.09 4.49 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.