NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3613 0.0000 0.0000 62.6732 32.6672 174.8465 2 Q 4.3211 8.3721 119.7716 54.0491 30.2390 173.2483 3 I 4.4888 7.9873 125.2577 59.6135 40.6411 175.1963 4 T 4.3829 8.4909 115.8034 61.2677 69.9247 174.0943 5 L 4.8407 7.7538 118.2460 54.3249 42.3138 178.3277 6 W 4.2375 8.2715 121.0782 58.7985 29.1911 176.0179 7 Q 4.8114 7.7591 115.1815 53.2150 31.5274 175.2477 8 R 4.0322 8.3897 118.6071 56.3005 30.9183 176.3226 9 P 4.6556 0.0000 0.0000 61.9429 29.9564 173.6584 10 L 5.0150 7.7489 124.3058 54.6511 43.2545 176.7673 11 V 4.7093 8.8498 116.7767 59.4597 36.1297 174.8607 12 T 4.8669 8.3609 112.7797 61.3651 70.5223 173.5897 13 I 5.1473 9.1300 117.2805 59.0160 41.8455 173.8389 14 K 5.0603 8.9275 124.3878 54.7260 34.9882 174.7070 15 I 4.6338 8.7932 127.0102 60.0865 41.9705 174.8094 16 G 4.0187 9.7301 116.3645 46.6870 0.0000 174.2821 17 G 3.9174 8.5187 104.7193 45.3250 0.0000 174.0730 18 Q 4.6760 7.9284 118.3817 53.6494 31.6444 174.3195 19 L 4.9622 8.2909 120.9804 53.9720 42.9865 176.1227 20 K 4.7077 8.9917 121.8026 55.0271 37.3372 174.4113 21 E 5.1585 8.6761 121.7735 54.9210 31.4909 174.6546 22 A 4.8416 8.9956 126.4386 50.5606 23.6965 174.4299 23 L 4.8571 8.7391 122.2068 53.4721 43.9045 175.6703 24 L 4.3896 8.8925 127.7741 54.8732 42.3989 176.4777 25 D 4.8635 8.9286 125.2525 52.3453 42.4354 176.3376 26 T 4.0901 8.6936 115.5341 63.1226 69.2375 175.7125 27 G 3.8020 8.3118 110.1901 45.5883 0.0000 173.0159 28 A 4.6616 7.6336 122.7823 50.1320 20.9578 177.7928 29 D 4.3943 8.9629 122.9134 56.7007 42.2479 175.9919 30 D 5.4889 8.0654 116.2431 52.7296 45.2803 175.0416 31 T 4.8836 7.8738 113.3706 62.0457 70.8386 174.1979 32 V 4.8585 8.7750 125.8702 61.1081 34.7702 174.0728 33 L 5.2280 8.8906 129.8072 53.0924 45.0907 176.8379 34 E 4.7533 9.4322 120.7759 55.6067 30.5975 175.8758 35 E 3.8757 8.5971 119.8047 58.0016 29.9488 176.0995 36 M 4.4662 8.0072 120.6439 54.5590 33.6405 173.7503 37 S 4.4866 8.4288 114.5925 57.0376 62.8452 173.2038 38 L 4.6760 8.0217 127.4792 51.9164 44.5395 174.8082 39 P 4.3993 0.0000 0.0000 63.5478 32.2110 175.9526 40 G 3.8769 8.8610 107.9364 44.9218 0.0000 173.7574 41 R 4.0471 8.1949 116.8336 55.8929 29.9033 171.5301 42 W 5.7778 7.3101 116.8817 54.0975 31.7018 173.9608 43 K 4.6890 8.8275 118.8134 53.9277 35.1625 174.1852 44 P 4.9138 0.0000 0.0000 62.8568 31.6262 175.6379 45 K 4.6715 8.9561 123.3358 55.5215 36.2837 174.1325 46 M 5.2190 8.6789 125.1010 53.4597 34.5002 175.0384 47 I 4.5830 8.8224 117.3658 58.9883 40.8426 174.8267 48 G 4.3474 8.2069 110.5541 44.8591 0.0000 172.1212 49 G 4.0904 8.3521 105.5344 45.2950 0.0000 172.5201 50 I 3.7380 8.5352 119.7240 63.5321 37.4039 175.4321 51 G 4.0651 8.5048 112.4335 44.7971 0.0000 173.7525 52 G 3.6886 6.5028 109.7961 45.4092 0.0000 172.4854 *53 F 5.4039 8.1733 123.1860 55.4469 42.5140 171.2186 54 I 4.6664 9.0266 114.2905 60.1599 40.9117 175.2490 55 K 4.7685 8.5149 126.8179 54.8455 32.7472 177.3478 56 V 4.6216 9.7952 117.5630 58.7561 36.2053 174.5026 57 R 4.5362 8.6187 121.1184 54.5201 32.4334 175.3450 58 Q 4.7243 9.4064 126.5579 55.1978 30.4704 173.5901 59 Y 5.1071 9.0373 125.1246 56.4860 40.3913 175.2527 60 D 5.0973 8.9205 123.1510 52.0944 43.8848 175.7400 61 Q 3.3298 8.2288 116.2836 57.1861 26.5130 174.3008 62 I 4.4404 7.8441 118.2963 59.6916 39.6788 176.6856 63 L 4.7420 8.4694 129.1620 54.8594 42.9571 175.6744 64 I 4.8026 9.0846 125.9690 59.2279 41.9633 173.0983 65 E 4.9395 9.3646 130.2878 54.6644 31.6672 174.3080 66 I 4.4637 9.0742 128.7068 60.0765 39.4684 175.4873 67 C 4.2759 10.0866 128.1934 60.0961 30.4879 173.9512 68 G 4.0028 8.6505 105.7931 44.8199 0.0000 173.6642 69 H 4.7318 8.8561 118.8098 54.1489 30.0757 174.4245 70 K 4.8295 8.4807 123.6009 56.2100 33.1175 176.0704 71 A 4.8245 8.9852 124.1860 50.6626 23.2243 174.9860 72 I 4.9675 8.6876 119.7134 59.3132 40.8288 176.0353 73 G 3.9194 8.0649 112.4538 45.9915 0.0000 171.5784 74 T 4.6906 8.4304 116.0579 63.4592 69.5020 174.8271 75 V 4.5762 9.0484 125.4376 61.2051 34.8534 174.2492 76 L 5.0447 9.0653 128.3752 53.8770 43.7455 175.8255 77 V 4.6612 8.6064 122.4389 61.5488 34.3091 175.2120 78 G 3.8944 8.1961 115.5145 45.7766 0.0000 171.7170 79 P 4.7009 0.0000 0.0000 62.6166 30.9286 176.8814 80 T 4.0827 7.7094 112.0718 61.2074 68.0468 172.2005 81 P 4.4368 0.0000 0.0000 65.1286 31.7564 176.7721 82 V 4.5112 7.3705 115.6031 59.4217 34.5601 174.1831 83 N 4.6777 8.6793 118.8631 53.5765 39.6967 173.9141 84 I 4.8204 9.3115 125.2109 59.5268 40.6262 174.6724 85 I 4.4272 8.6933 128.5620 60.2331 38.4835 175.8967 86 G 4.3698 8.5522 115.6984 43.7863 0.0000 174.0025 87 R 4.0886 8.9978 118.6929 58.9419 30.1529 179.2717 88 N 4.3760 7.9490 114.5490 55.1517 37.6102 176.2549 89 L 4.4897 7.7553 117.5291 55.9236 42.9246 178.4384 90 L 4.0451 8.0666 119.4142 57.9310 41.5947 179.5823 91 T 3.9017 7.9703 109.8590 64.9943 68.4228 176.6687 92 Q 4.1175 7.8481 119.7113 57.7321 28.7192 177.0050 93 I 4.2083 7.5663 111.0463 60.2021 37.9149 175.6429 94 G 3.8171 7.8334 107.8600 46.9099 0.0000 173.4503 95 C 4.3399 7.9382 120.2156 58.5095 32.1562 172.8043 96 T 4.7472 8.1878 115.5937 59.7593 71.5789 172.7790 97 L 4.7294 8.2379 121.6205 53.3730 43.4344 176.1598 98 N 5.0464 8.4677 118.8128 51.6354 42.3933 174.5385 99 F 4.4752 8.2438 116.6134 57.3851 37.5296 173.8889 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 1 P 0.00 4.36 0.00 2.21 2.15 0.00 3.70 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 1.88 1.97 0.00 2 Q 8.37 4.32 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 3 I 7.99 4.49 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 1.49 0.80 0.93 0.00 0.00 4 T 8.49 4.38 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 1.39 0.00 0.00 5 L 7.75 4.84 0.00 1.34 1.50 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.27 4.24 0.00 3.30 3.32 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 0.00 0.00 0.00 0.00 7 Q 7.76 4.81 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 8 R 8.39 4.03 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 9 P 0.00 4.66 0.00 2.11 2.20 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 10 L 7.75 5.01 0.00 1.56 1.64 1.00 0.99 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 11 V 8.85 4.71 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 0.79 0.00 0.00 0.98 0.00 0.00 12 T 8.36 4.87 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 1.21 0.00 0.00 13 I 9.13 5.15 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.91 0.00 0.00 14 K 8.93 5.06 0.00 1.80 1.65 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.44 7.81 15 I 8.79 4.63 1.85 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 1.10 1.25 0.88 0.00 0.00 16 G 9.73 4.02 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 0.00 0.00 0.00 17 G 8.52 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 18 Q 7.93 4.68 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 19 L 8.29 4.96 0.00 1.50 1.59 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.99 4.71 0.00 1.64 1.63 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.36 7.81 21 E 8.68 5.16 0.00 1.96 1.81 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 2.20 2.43 0.00 22 A 9.00 4.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.86 0.00 1.76 1.67 0.91 0.75 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 24 L 8.89 4.39 0.00 1.53 1.61 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.93 4.86 0.00 2.80 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 26 T 8.69 4.09 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 1.21 0.00 0.00 27 G 8.31 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.63 4.66 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 29 D 8.96 4.39 0.00 2.62 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 30 D 8.07 5.49 0.00 2.57 2.55 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 0.00 0.00 0.00 0.00 31 T 7.87 4.88 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 1.24 0.00 0.00 32 V 8.78 4.86 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 0.97 0.00 0.00 0.93 0.00 0.00 33 L 8.89 5.23 0.00 1.57 1.47 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.43 4.75 0.00 1.70 1.76 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 2.27 1.99 0.00 35 E 8.60 3.88 0.00 1.86 1.89 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 2.28 2.36 0.00 36 M 8.01 4.47 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 37 S 8.43 4.49 0.00 3.84 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 38 L 8.02 4.68 0.00 0.72 0.89 0.40 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.40 0.00 2.21 2.06 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 40 G 8.86 3.88 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 0.00 0.00 0.00 41 R 8.19 4.05 0.00 1.84 1.73 0.00 3.24 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 42 W 7.31 5.78 0.00 2.42 1.74 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 43 K 8.83 4.69 0.00 1.79 1.81 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.36 7.81 44 P 0.00 4.91 0.00 2.12 2.17 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 3.23 0.00 45 K 8.96 4.67 0.00 1.85 1.59 0.00 1.94 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.45 7.81 46 M 8.68 5.22 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 47 I 8.82 4.58 1.87 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 1.15 0.96 0.92 0.00 0.00 48 G 8.21 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 0.00 0.00 0.00 0.00 49 G 8.35 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 0.00 0.00 0.00 50 I 8.54 3.74 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.90 0.00 0.00 51 G 8.50 4.07 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 0.00 0.00 0.00 52 G 6.50 3.69 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 0.00 0.00 0.00 *53 F 8.17 5.40 0.00 2.02 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 0.00 0.00 0.00 54 I 9.03 4.67 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 0.90 0.00 0.00 55 K 8.51 4.77 0.00 1.56 1.63 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.04 7.81 56 V 9.80 4.62 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 0.74 0.00 0.00 0.95 0.00 0.00 57 R 8.62 4.54 0.00 1.51 0.89 0.00 2.21 0.00 0.00 2.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 58 Q 9.41 4.72 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 59 Y 9.04 5.11 0.00 2.99 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 60 D 8.92 5.10 0.00 2.59 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 61 Q 8.23 3.33 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 62 I 7.84 4.44 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.27 0.89 0.00 0.00 63 L 8.47 4.74 0.00 1.65 1.57 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 I 9.08 4.80 1.87 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 1.11 1.53 0.92 0.00 0.00 65 E 9.36 4.94 0.00 2.03 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 2.22 2.29 0.00 66 I 9.07 4.46 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 1.12 0.86 0.91 0.00 0.00 67 C 10.09 4.28 0.00 3.01 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 68 G 8.65 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 69 H 8.86 4.73 0.00 3.26 3.25 0.00 5.61 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 70 K 8.48 4.83 0.00 1.64 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 A 8.99 4.82 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 72 I 8.69 4.97 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 1.17 0.72 0.94 0.00 0.00 73 G 8.06 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 74 T 8.43 4.69 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 75 V 9.05 4.58 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 0.98 0.00 0.00 0.95 0.00 0.00 76 L 9.07 5.04 0.00 1.69 1.57 0.94 0.48 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 77 V 8.61 4.66 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.95 0.00 0.00 78 G 8.20 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 79 P 0.00 4.70 0.00 2.03 2.06 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 80 T 7.71 4.08 4.23 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 1.28 0.00 0.00 81 P 0.00 4.44 0.00 2.21 2.16 0.00 3.78 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 1.98 1.94 0.00 82 V 7.37 4.51 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 0.71 0.00 0.00 0.93 0.00 0.00 83 N 8.68 4.68 0.00 2.80 2.78 0.00 0.00 6.66 7.22 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 84 I 9.31 4.82 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 0.91 0.00 0.00 85 I 8.69 4.43 1.87 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 1.16 1.23 0.91 0.00 0.00 86 G 8.55 4.37 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 0.00 0.00 0.00 87 R 9.00 4.09 0.00 1.86 2.00 0.00 3.15 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 88 N 7.95 4.38 0.00 2.88 3.10 0.00 0.00 6.90 7.07 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 89 L 7.76 4.49 0.00 1.70 1.73 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.07 4.05 0.00 1.69 1.72 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.97 3.90 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 1.26 0.00 0.00 92 Q 7.85 4.12 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.11 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 93 I 7.57 4.21 1.81 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 1.55 0.62 0.93 0.00 0.00 94 G 7.83 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 95 C 7.94 4.34 0.00 2.95 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 96 T 8.19 4.75 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 1.21 0.00 0.00 97 L 8.24 4.73 0.00 1.72 1.72 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.47 5.05 0.00 2.67 2.66 0.00 0.00 6.78 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 99 F 8.24 4.48 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.