NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3941 0.0000 0.0000 62.8271 33.6591 177.8405 3 S 4.3087 7.7634 114.5495 57.3052 60.9167 172.4366 4 C 4.7365 8.4691 120.0954 54.9491 44.3332 174.0537 5 K 4.2799 8.3794 122.9434 55.6689 32.5178 177.5699 6 E 3.8937 8.8287 120.7458 59.3412 29.5877 177.1453 7 D 4.7729 8.0606 115.3680 53.1456 40.0780 174.9466 8 E 5.5104 8.0538 118.9837 55.0569 33.0701 174.6259 9 Y 5.0769 9.0209 118.8504 54.7114 42.1076 172.2928 10 P 4.6146 0.0000 0.0000 62.2603 32.5316 176.0510 11 V 4.1962 7.8932 123.7970 60.7373 34.2746 175.7797 12 G 3.8220 8.5621 115.2447 46.7330 0.0000 174.2451 13 S 4.5322 8.6530 117.9467 58.1055 64.0081 173.4593 14 E 4.7624 7.6134 120.3276 54.8231 33.1812 175.8825 15 C 4.9911 8.4731 118.6876 57.0039 39.4888 173.6211 16 C 4.9417 8.2025 115.2859 55.1177 44.8298 172.2505 17 P 4.7756 0.0000 0.0000 62.7111 31.2912 176.6944 18 K 4.3827 8.5672 124.0671 56.5153 33.0061 176.4983 19 C 4.6071 9.1207 120.5840 56.7328 38.3948 173.7197 20 S 4.7385 8.4123 117.1692 57.5347 64.0973 172.0950 21 P 4.2819 0.0000 0.0000 64.1647 31.7041 177.4505 22 G 3.9506 9.3629 109.6658 45.5265 0.0000 172.6088 23 Y 5.1199 7.6181 116.1765 55.9773 41.8870 174.6230 24 R 4.7834 9.0466 119.7731 54.0845 33.2068 174.9996 25 V 3.9452 8.9536 120.9302 63.0526 31.8958 176.0011 26 K 4.4015 9.1371 129.6398 57.6212 33.9464 176.1935 27 E 4.7874 7.8344 119.3717 54.3857 33.2792 173.9566 28 A 4.7278 9.0869 128.9547 51.9094 19.3369 175.4386 29 C 4.0123 8.1322 117.4256 52.9917 42.7591 173.6821 30 G 4.2085 8.2400 109.6139 43.7367 0.0000 172.7766 31 E 3.6981 8.9302 118.6778 58.3706 29.5679 177.9065 32 L 4.6158 7.8096 116.7276 54.4058 44.3772 175.4135 33 T 4.5385 7.3885 112.6255 60.4284 69.4190 173.7018 34 G 4.3963 8.2535 114.1401 45.5134 0.0000 172.5755 35 T 4.4902 8.2415 116.5496 62.6649 69.5973 175.0933 36 V 4.0637 8.6706 127.1894 62.3573 32.6470 174.2513 37 C 5.6134 8.7730 124.6503 55.3541 41.9101 172.9158 38 E 4.9303 9.2391 121.1321 53.9244 32.8712 172.8154 39 P 4.1606 0.0000 0.0000 63.0184 32.1422 176.7793 40 C 4.4168 8.3688 121.2920 56.2538 35.3498 172.3701 41 P 4.4509 0.0000 0.0000 61.4567 31.7500 173.9196 42 P 4.3048 0.0000 0.0000 64.6303 31.7198 177.1117 43 G 3.9377 9.0965 109.6235 45.7394 0.0000 172.3026 44 T 5.3223 7.4883 108.3727 60.1551 72.2305 172.4180 45 Y 5.0287 8.5792 118.4486 56.3220 41.9946 173.5687 46 I 4.5229 8.5693 120.3182 59.8124 41.0141 176.1428 47 A 4.7758 8.7502 127.6835 52.5486 19.6114 175.7458 48 H 5.1937 7.6317 110.7570 53.3156 33.3919 173.1368 49 L 4.4180 8.5794 119.2537 55.8238 41.8840 176.9308 50 N 4.8704 9.2572 119.7683 50.7874 41.1735 174.5284 51 G 3.0755 7.9036 105.8766 45.2167 0.0000 173.1104 52 L 4.5770 7.6456 120.0206 53.1719 43.3914 177.9351 53 S 4.7757 8.3981 116.0172 57.0923 63.4326 173.6684 54 K 4.4131 7.2949 119.9073 55.7317 34.7573 175.7346 55 C 4.5572 8.4692 123.1288 56.5151 41.7202 173.3152 56 L 4.3268 7.9443 120.9912 54.3799 42.6538 176.7031 57 Q 4.4428 8.4841 120.9716 55.9436 29.5206 176.8797 58 C 4.5989 8.6784 121.4330 56.6849 40.8409 173.8195 59 Q 4.1353 8.7176 124.6567 56.4644 29.3107 175.1462 60 M 4.6053 8.3314 122.9305 54.0468 34.2381 176.4896 61 C 4.7539 8.2172 122.1188 54.5388 40.3093 171.6356 62 D 4.4613 8.1875 122.9219 53.2192 41.3574 175.4219 63 P 4.4525 0.0000 0.0000 64.8272 31.5630 178.3580 64 A 4.0089 8.4143 120.3518 54.4424 18.4772 177.7778 65 M 4.4345 8.0448 115.6214 54.6805 32.5595 176.4991 66 G 3.9453 8.1214 106.3228 46.6325 0.0000 173.6249 67 L 4.9922 7.6921 118.5792 52.4040 44.0380 175.5184 68 R 4.7761 8.3667 122.9839 54.1434 33.2120 174.7366 69 A 4.4757 8.4874 127.1087 51.7338 18.1306 177.7319 70 S 4.2908 8.6528 118.5053 61.3372 64.2052 174.9886 71 R 4.6210 7.5682 120.2362 54.8211 33.2464 174.2673 72 N 4.8239 8.7005 123.2928 53.0404 39.8125 175.0377 73 C 4.6185 8.5802 121.7531 56.4614 42.8646 172.7336 74 S 4.8158 8.7118 119.9495 55.9083 65.9152 175.0652 75 R 4.2250 8.5096 118.4656 58.9421 29.8520 178.6637 76 T 4.6770 7.4792 105.4091 61.8107 69.9715 173.8899 77 E 4.7093 7.7401 122.1346 54.3459 33.7589 174.8327 78 N 3.8026 8.2122 121.6435 52.9302 39.9632 174.1025 79 A 4.3376 8.0746 125.1367 51.6509 19.8966 177.0059 80 V 4.1914 8.2203 121.4077 61.1644 34.0184 173.9062 81 C 4.7925 8.8311 126.0198 56.5322 42.2574 173.0901 82 G 4.2598 8.8647 109.9951 44.4025 0.0000 170.7907 83 C 5.1574 8.6339 116.4889 56.4321 41.1797 174.5137 84 S 4.4889 8.1714 117.9507 57.0872 63.7553 172.4286 85 P 4.0877 0.0000 0.0000 64.5076 31.1894 176.8252 86 G 4.1497 9.2071 112.2797 46.8538 0.0000 172.2209 87 H 4.9032 8.0602 113.2673 53.6931 33.5041 174.0838 88 F 5.0355 8.2234 115.4798 54.8392 41.2801 173.4310 89 C 4.9172 8.9987 121.4504 56.7521 44.0331 173.0645 90 I 4.4526 8.4867 116.4303 60.1060 38.7267 175.4548 91 V 4.2051 7.4045 121.5125 62.0021 33.6938 174.3012 92 Q 4.5558 8.4049 126.4869 54.8265 30.6129 175.1573 *95 D 4.6307 8.4729 116.9693 54.2224 42.6106 173.8427 96 H 4.8327 7.6430 114.5343 54.3013 33.0468 172.0761 97 C 4.6536 8.8463 118.7850 56.5573 43.9100 173.2568 98 A 4.5844 8.2413 126.5104 51.6623 20.3691 175.8799 99 A 4.6290 7.3961 114.6361 51.1187 22.4065 176.1352 100 C 5.2441 8.9740 118.0076 55.0932 45.5355 173.5939 101 R 4.6040 7.5765 121.1314 54.3339 32.5378 175.2211 102 A 4.4163 8.0631 124.8230 50.5110 19.9902 177.2817 103 Y 4.4144 8.2085 115.6417 58.4913 38.0758 176.1020 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 2 P 0.00 4.39 0.00 2.05 2.17 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 3 S 7.76 4.31 0.00 3.93 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 4 C 8.47 4.74 0.00 2.97 3.04 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 0.00 0.00 0.00 5 K 8.38 4.28 0.00 1.81 1.76 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.38 7.81 6 E 8.83 3.89 0.00 1.91 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 2.30 2.39 0.00 7 D 8.06 4.77 0.00 2.88 2.89 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 8 E 8.05 5.51 0.00 1.85 1.93 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 2.24 2.23 0.00 9 Y 9.02 5.08 0.00 2.92 2.95 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 0.00 0.00 0.00 10 P 0.00 4.61 0.00 2.07 2.07 0.00 3.65 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 2.02 2.10 0.00 11 V 7.89 4.20 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 0.30 0.00 0.00 0.88 0.00 0.00 12 G 8.56 3.82 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 0.00 0.00 0.00 13 S 8.65 4.53 0.00 3.96 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 14 E 7.61 4.76 0.00 1.90 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 2.25 2.32 0.00 15 C 8.47 4.99 0.00 2.80 2.97 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 16 C 8.20 4.94 0.00 2.33 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 17 P 0.00 4.78 0.00 1.98 2.03 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 18 K 8.57 4.38 0.00 1.79 1.91 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.67 7.81 19 C 9.12 4.61 0.00 2.92 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 20 S 8.41 4.74 0.00 3.74 3.82 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 21 P 0.00 4.28 0.00 2.10 2.08 0.00 3.75 0.00 0.00 3.70 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 22 G 9.36 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.62 5.12 0.00 2.99 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 24 R 9.05 4.78 0.00 1.95 1.98 0.00 2.74 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 25 V 8.95 3.95 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 0.98 0.00 0.00 0.80 0.00 0.00 26 K 9.14 4.40 0.00 1.80 1.95 0.00 1.98 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.38 7.81 27 E 7.83 4.79 0.00 2.05 1.72 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 2.28 2.32 0.00 28 A 9.09 4.73 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 29 C 8.13 4.01 0.00 3.07 3.07 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 0.00 0.00 0.00 30 G 8.24 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 31 E 8.93 3.70 0.00 1.90 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 2.28 2.36 0.00 32 L 7.81 4.62 0.00 1.59 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.39 4.54 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 34 G 8.25 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 0.00 0.00 0.00 0.00 35 T 8.24 4.49 4.29 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 1.40 0.00 0.00 36 V 8.67 4.06 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 1.04 0.00 0.00 0.94 0.00 0.00 37 C 8.77 5.61 0.00 2.75 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 38 E 9.24 4.93 0.00 2.03 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 2.21 2.32 0.00 39 P 0.00 4.16 0.00 1.86 1.72 0.00 3.78 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 2.02 2.09 0.00 40 C 8.37 4.42 0.00 2.77 2.97 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 41 P 0.00 4.45 0.00 2.15 1.95 0.00 3.58 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 2.09 2.09 0.00 42 P 0.00 4.30 0.00 2.02 2.00 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 43 G 9.10 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 0.00 0.00 0.00 44 T 7.49 5.32 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 1.20 0.00 0.00 45 Y 8.58 5.03 0.00 3.22 3.05 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 46 I 8.57 4.52 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.88 0.85 0.00 0.00 47 A 8.75 4.78 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 48 H 7.63 5.19 0.00 3.00 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.58 4.42 0.00 1.53 1.64 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 N 9.26 4.87 0.00 2.68 2.89 0.00 0.00 6.33 6.55 0.00 0.00 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 G 7.90 3.08 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 0.00 0.00 0.00 52 L 7.65 4.58 0.00 1.71 1.65 0.81 0.71 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 53 S 8.40 4.78 0.00 3.97 3.95 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 0.00 0.00 0.00 54 K 7.29 4.41 0.00 1.67 1.63 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.41 7.81 55 C 8.47 4.56 0.00 2.82 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 56 L 7.94 4.33 0.00 1.03 1.35 0.65 1.14 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 57 Q 8.48 4.44 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 58 C 8.68 4.60 0.00 2.91 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 59 Q 8.72 4.14 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 60 M 8.33 4.61 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 61 C 8.22 4.75 0.00 2.92 2.95 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 0.00 0.00 0.00 62 D 8.19 4.46 0.00 2.65 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 63 P 0.00 4.45 0.00 2.19 2.05 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 64 A 8.41 4.01 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 65 M 8.04 4.43 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 66 G 8.12 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.69 4.99 0.00 1.82 1.52 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.37 4.78 0.00 1.84 1.72 0.00 3.07 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 69 A 8.49 4.48 1.21 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 70 S 8.65 4.29 0.00 3.91 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 71 R 7.57 4.62 0.00 1.82 1.68 0.00 3.26 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 72 N 8.70 4.82 0.00 2.61 2.69 0.00 0.00 7.00 7.66 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 73 C 8.58 4.62 0.00 2.91 2.95 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 0.00 0.00 0.00 74 S 8.71 4.82 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 4.23 0.00 1.83 1.93 0.00 2.91 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 76 T 7.48 4.68 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 1.25 0.00 0.00 77 E 7.74 4.71 0.00 1.77 1.70 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 2.18 2.21 0.00 78 N 8.21 3.80 0.00 1.81 2.34 0.00 0.00 7.05 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 79 A 8.07 4.34 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 V 8.22 4.19 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 0.76 0.00 0.00 0.82 0.00 0.00 81 C 8.83 4.79 0.00 2.87 2.97 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 82 G 8.86 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 0.00 0.00 0.00 0.00 83 C 8.63 5.16 0.00 2.90 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 84 S 8.17 4.49 0.00 3.58 3.74 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 85 P 0.00 4.09 0.00 2.09 2.09 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 86 G 9.21 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 0.00 0.00 0.00 87 H 8.06 4.90 0.00 3.08 3.02 0.00 5.84 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 88 F 8.22 5.04 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.00 4.92 0.00 3.03 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 90 I 8.49 4.45 1.82 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 1.04 0.79 0.72 0.00 0.00 91 V 7.40 4.21 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 0.97 0.00 0.00 0.90 0.00 0.00 92 Q 8.40 4.56 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.41 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 *95 D 8.47 4.63 0.00 2.66 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 96 H 7.64 4.83 0.00 3.07 3.15 0.00 5.97 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.85 4.65 0.00 2.99 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 98 A 8.24 4.58 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.40 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 C 8.97 5.24 0.00 2.76 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 0.00 101 R 7.58 4.60 0.00 1.48 0.87 0.00 3.12 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 102 A 8.06 4.42 1.08 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 0.00 0.00 103 Y 8.21 4.41 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.