NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.8538 8.0632 120.1115 54.8304 35.0684 174.8120 7 I 5.0145 7.8893 118.5132 58.6828 39.8334 173.4120 8 Q 4.7459 9.8944 128.7224 54.1909 33.3226 173.5434 9 V 5.1191 8.5779 124.5938 61.3655 33.9055 173.9321 10 Y 5.1145 8.7532 125.0341 55.7820 41.8935 173.8931 11 S 4.9715 8.6697 114.6472 57.4215 64.1405 174.1888 12 R 4.0802 9.2055 123.4204 59.2656 30.2996 175.9508 13 H 5.1146 8.3429 113.1856 52.6928 32.5340 171.3739 14 P 4.3748 0.0000 0.0000 62.1406 31.6823 176.6908 15 A 3.9873 8.6782 127.4340 53.0341 18.5685 177.8340 *16 E 3.9332 8.6725 122.8535 59.7598 29.9723 175.3138 *17 N 4.7005 8.6119 114.1928 51.2045 35.7200 176.5795 18 G 4.5804 7.3138 111.3478 47.0519 0.0000 174.6851 19 K 4.0685 8.7676 120.4397 52.0061 32.9752 177.7931 20 S 4.9186 6.8674 113.4310 57.2923 64.6659 174.2270 21 N 4.9231 8.3149 126.8471 53.2336 43.0804 172.2271 22 F 5.3767 8.8063 116.6797 55.7144 43.2254 173.9814 23 L 4.5400 9.0130 125.9718 54.0472 43.5784 174.8709 24 N 5.5903 9.1498 123.3905 51.5180 42.1194 172.7417 25 C 5.3568 9.4921 123.3830 54.9869 45.4379 171.9451 26 Y 5.1092 9.6039 129.5977 57.2400 40.0268 174.2440 27 V 4.9334 8.5414 126.3814 61.1349 34.4091 174.1834 28 S 4.9648 9.3419 122.7980 57.4956 66.0215 175.2216 29 G 3.4743 9.5977 110.7554 45.3133 0.0000 173.2397 30 F 5.0897 7.9706 116.5735 55.6135 42.6985 174.3292 31 H 4.3962 9.0984 121.6454 54.4868 29.4307 174.6888 32 P 4.3651 0.0000 0.0000 65.9610 30.9625 178.4785 33 S 4.2436 8.0195 111.9733 60.6018 63.5416 175.0397 34 D 4.6035 8.3248 121.5514 56.4408 40.8703 175.6781 35 I 5.0746 7.3577 110.9428 59.1821 41.1191 174.0616 36 E 4.5994 9.1654 124.8390 54.3548 32.1606 174.6245 37 V 4.5216 8.2050 126.2123 61.2198 33.6334 173.9855 38 D 4.9710 8.9789 128.4485 52.6492 43.4995 175.4707 39 L 5.0805 8.3358 121.6544 53.1782 44.6938 175.2773 40 L 5.1963 9.0107 122.3810 52.8111 45.4718 175.1848 41 K 4.2716 9.2020 124.9761 55.1675 34.2718 176.0264 42 N 4.0402 9.9784 126.4070 54.3607 36.7395 175.4269 43 G 3.9250 8.3397 103.4161 45.4987 0.0000 173.6068 44 E 4.6141 7.9336 119.5917 53.6261 32.2069 175.4814 45 R 4.1244 8.5778 122.8689 56.7365 30.4006 176.0787 46 I 4.0608 8.2634 127.0619 61.0615 37.9329 176.0755 47 E 3.9662 8.8612 125.3524 59.2994 29.5899 177.6063 48 K 4.2092 7.8425 120.5183 55.3338 32.0255 176.5791 49 V 4.2152 8.2282 123.9432 61.0053 33.5639 174.5512 50 E 4.6243 8.2433 126.8072 55.0940 32.3776 174.4880 51 H 5.2953 7.7673 114.9990 53.8982 31.4297 173.2913 52 S 4.4423 8.9228 116.0503 58.4853 63.6248 173.6824 53 D 4.4933 8.3926 119.7386 53.4697 41.3107 176.3218 54 L 3.8826 8.2439 123.8747 55.8845 42.6148 176.3288 55 S 4.5943 7.5867 120.4744 56.4789 66.7969 172.7860 56 F 5.1804 8.1059 119.2445 55.3763 41.6257 175.7471 57 S 4.4044 9.4489 118.9772 57.3997 63.6752 175.0961 58 K 3.6413 8.6042 119.9532 60.0768 30.7514 177.0556 59 D 4.7316 8.2345 116.2284 53.2811 41.2205 176.1185 60 W 3.6967 8.0548 116.6939 58.4892 27.3044 174.2649 61 S 4.9620 7.4828 112.8920 57.1512 65.2942 172.5606 62 F 5.7187 7.6103 113.7846 54.1804 41.0997 173.0076 63 Y 5.1410 7.7553 117.5044 55.3816 42.1236 173.4806 64 L 4.6406 9.0722 117.6289 53.0818 46.8260 175.7855 65 L 5.2776 8.7748 121.2618 53.5086 44.2994 175.0097 66 Y 5.1693 9.1914 122.7483 56.4376 40.3192 174.6888 67 Y 5.9416 8.8617 121.2206 55.7869 42.2626 173.7019 68 T 5.0119 8.4483 113.3886 60.4156 71.2337 172.3023 69 E 3.3475 8.6046 129.0421 56.1229 30.4394 175.5117 70 F 4.8822 8.9471 120.7635 56.2079 42.2793 173.1900 71 T 4.4953 8.1513 115.0863 60.6064 70.1190 172.4636 72 P 4.6106 0.0000 0.0000 62.9938 32.8185 175.4897 73 T 4.6999 8.2954 111.1763 59.6338 71.5191 173.4009 74 E 4.0995 9.0167 121.4372 58.7626 29.5344 177.3219 75 K 4.5975 7.7882 113.1265 55.6594 33.9298 175.9076 76 D 4.4082 7.8964 120.3605 54.2836 41.3726 175.3257 77 E 4.8032 8.3560 122.5924 54.8927 32.1364 174.4843 78 Y 5.2904 8.5360 119.6632 56.5065 41.6841 174.4291 79 A 4.7322 8.6858 121.9249 51.0883 23.5338 174.0097 80 C 5.3134 8.7022 118.7244 54.7157 45.0193 173.0352 81 R 4.5564 9.0247 126.2850 54.5763 32.2162 174.0899 82 V 4.6713 8.3506 126.4112 61.1243 33.5352 174.3132 83 N 5.0963 8.7239 124.6730 51.4981 42.1137 173.7643 84 H 4.8583 8.7518 119.0406 55.8965 29.8669 174.7159 85 V 4.4034 8.7226 122.3929 61.4986 33.0921 175.1224 86 T 4.6285 8.5191 123.7756 61.6700 70.9557 173.2770 87 L 4.6422 8.3910 126.1723 53.3271 43.2162 175.9211 88 S 4.5275 8.2780 115.9640 57.8362 66.0883 173.1514 89 Q 3.4801 8.5918 117.0324 56.4424 25.6456 172.6548 90 P 4.4847 0.0000 0.0000 62.5265 32.5937 175.8991 91 K 4.5348 8.3106 120.0982 54.7434 35.0169 175.2625 92 I 4.4358 8.4241 126.4961 59.3726 39.1284 174.8983 93 V 4.3762 8.2126 124.6674 60.7037 33.3538 175.2998 94 K 4.2697 8.4943 126.5805 55.5888 32.7815 176.4313 95 W 4.3322 8.7406 132.3106 57.2688 30.9332 175.0266 96 D 4.4759 8.6139 126.3022 52.4950 40.9436 175.9683 97 R 3.6168 7.5611 122.2375 55.9410 29.5877 176.3258 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 M 8.06 4.85 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 7 I 7.89 5.01 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.76 0.94 0.00 0.00 8 Q 9.89 4.75 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 9 V 8.58 5.12 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 0.91 0.00 0.00 0.98 0.00 0.00 10 Y 8.75 5.11 0.00 3.08 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 11 S 8.67 4.97 0.00 4.27 4.12 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 12 R 9.21 4.08 0.00 1.77 2.06 0.00 2.92 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.43 0.00 13 H 8.34 5.11 0.00 3.19 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.37 0.00 2.06 2.01 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 15 A 8.68 3.99 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 *16 E 8.67 3.93 0.00 2.00 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 1.88 0.00 *17 N 8.61 4.70 0.00 2.78 3.19 0.00 0.00 6.48 7.51 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 18 G 7.31 4.58 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 0.00 0.00 0.00 19 K 8.77 4.07 0.00 1.78 1.56 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 0.97 7.81 20 S 6.87 4.92 0.00 3.84 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 21 N 8.31 4.92 0.00 2.47 2.11 0.00 0.00 6.54 7.33 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 22 F 8.81 5.38 0.00 2.90 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 23 L 9.01 4.54 0.00 0.27 1.01 0.54 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 24 N 9.15 5.59 0.00 1.80 2.42 0.00 0.00 6.11 7.53 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 25 C 9.49 5.36 0.00 2.95 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 26 Y 9.60 5.11 0.00 3.40 3.20 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 27 V 8.54 4.93 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 0.96 0.00 0.00 0.93 0.00 0.00 28 S 9.34 4.96 0.00 3.87 3.62 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 29 G 9.60 3.47 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 0.00 0.00 0.00 0.00 30 F 7.97 5.09 0.00 3.07 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 31 H 9.10 4.40 0.00 3.43 3.21 0.00 5.84 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.37 0.00 2.20 2.23 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.90 0.00 33 S 8.02 4.24 0.00 4.02 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 34 D 8.32 4.60 0.00 3.35 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 35 I 7.36 5.07 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.53 0.00 0.00 36 E 9.17 4.60 0.00 1.97 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 2.11 2.17 0.00 37 V 8.20 4.52 0.88 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 0.36 0.00 0.00 -0.04 0.00 0.00 38 D 8.98 4.97 0.00 2.54 2.49 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 0.00 39 L 8.34 5.08 0.00 1.58 1.55 0.93 0.56 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 40 L 9.01 5.20 0.00 1.49 1.44 0.89 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.20 4.27 0.00 1.78 1.58 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.07 0.65 7.81 42 N 9.98 4.04 0.00 2.69 2.74 0.00 0.00 7.12 5.41 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 43 G 8.34 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 44 E 7.93 4.61 0.00 2.01 1.79 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 2.36 2.31 0.00 45 R 8.58 4.12 0.00 1.75 1.85 0.00 3.22 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 46 I 8.26 4.06 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.94 0.00 0.00 47 E 8.86 3.97 0.00 1.96 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 2.32 2.28 0.00 48 K 7.84 4.21 0.00 1.74 1.77 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.36 7.81 49 V 8.23 4.22 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 0.91 0.00 0.00 0.97 0.00 0.00 50 E 8.24 4.62 0.00 1.16 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 2.11 2.09 0.00 51 H 7.77 5.30 0.00 2.36 2.36 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.92 4.44 0.00 3.84 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 53 D 8.39 4.49 0.00 2.64 2.59 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 0.00 0.00 0.00 0.00 54 L 8.24 3.88 0.00 1.46 1.42 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.59 4.59 0.00 2.72 3.37 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 56 F 8.11 5.18 0.00 2.50 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 0.00 0.00 0.00 57 S 9.45 4.40 0.00 3.97 4.09 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 K 8.60 3.64 0.00 1.93 2.03 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.46 7.81 59 D 8.23 4.73 0.00 2.88 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 60 W 8.05 3.70 0.00 3.79 3.34 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 0.00 61 S 7.48 4.96 0.00 3.78 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 62 F 7.61 5.72 0.00 2.53 2.38 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 63 Y 7.76 5.14 0.00 2.57 2.72 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 64 L 9.07 4.64 0.00 1.58 1.24 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.77 5.28 0.00 1.67 1.74 0.97 1.19 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 66 Y 9.19 5.17 0.00 3.00 2.85 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 67 Y 8.86 5.94 0.00 3.21 3.01 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 68 T 8.45 5.01 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 1.14 0.00 0.00 69 E 8.60 3.35 0.00 1.45 1.61 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 2.09 1.90 0.00 70 F 8.95 4.88 0.00 2.95 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 T 8.15 4.50 4.17 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 1.15 0.00 0.00 72 P 0.00 4.61 0.00 2.09 2.15 0.00 3.24 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.63 0.00 73 T 8.30 4.70 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 1.28 0.00 0.00 74 E 9.02 4.10 0.00 1.96 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 0.00 2.31 2.35 0.00 75 K 7.79 4.60 0.00 1.74 1.77 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.43 7.81 76 D 7.90 4.41 0.00 2.80 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.80 0.00 1.77 1.79 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 2.28 2.23 0.00 78 Y 8.54 5.29 0.00 2.71 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 79 A 8.69 4.73 1.20 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 80 C 8.70 5.31 0.00 2.95 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 81 R 9.02 4.56 0.00 1.81 1.68 0.00 3.05 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 82 V 8.35 4.67 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 0.55 0.00 0.00 0.74 0.00 0.00 83 N 8.72 5.10 0.00 2.57 2.61 0.00 0.00 6.63 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 84 H 8.75 4.86 0.00 3.01 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.72 4.40 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 0.82 0.00 0.00 0.95 0.00 0.00 86 T 8.52 4.63 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 87 L 8.39 4.64 0.00 1.64 1.60 0.93 0.86 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 88 S 8.28 4.53 0.00 3.93 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 89 Q 8.59 3.48 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 90 P 0.00 4.48 0.00 2.18 2.06 0.00 3.71 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 91 K 8.31 4.53 0.00 1.68 1.67 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.44 7.81 92 I 8.42 4.44 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.93 0.00 0.00 93 V 8.21 4.38 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 0.88 0.00 0.00 0.95 0.00 0.00 94 K 8.49 4.27 0.00 1.82 1.77 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.45 7.81 95 W 8.74 4.33 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 96 D 8.61 4.48 0.00 2.60 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 0.00 0.00 0.00 0.00 97 R 7.56 3.62 0.00 1.30 0.66 0.00 2.21 0.00 0.00 2.95 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.21 0.00 * Residues marked with a * may have inaccurate shift predictions.