NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9252 8.3549 109.7353 45.0586 0.0000 174.1764 4 E 4.1551 7.9509 118.8567 53.6325 30.4634 173.6684 5 I 4.6190 7.7665 114.4203 58.8024 41.9475 174.8374 6 S 4.4931 8.6483 116.1608 56.9170 66.0770 174.7337 7 Y 4.3298 7.9424 119.1342 61.2180 37.4052 178.7131 8 A 4.0845 8.1842 121.2398 55.3378 18.2736 179.1648 9 D 4.3380 7.9426 116.2897 57.5318 41.2172 178.5849 10 F 4.4517 8.2516 120.7452 61.4714 39.2496 177.0961 11 E 3.7861 8.5036 117.2446 59.0328 29.2322 179.1924 12 K 4.0730 7.6013 118.0395 57.5871 32.1790 177.2545 13 V 3.6801 7.0118 119.4961 61.7556 32.0691 174.7831 14 D 4.5550 8.6612 127.9912 52.8386 41.9403 174.0202 15 I 4.8209 7.8388 126.3582 59.4968 39.5153 175.0609 16 R 5.2973 8.7838 125.4292 54.2521 34.5409 174.7923 17 V 4.7830 8.4655 120.9149 61.0126 33.7165 175.2699 18 G 3.9638 8.9062 109.4555 45.0471 0.0000 170.9162 19 T 5.0413 8.1666 116.2423 61.2899 71.1636 174.5278 20 I 4.1716 8.7097 128.3568 61.8187 37.5034 176.9425 21 V 4.4900 8.8297 120.2947 61.5428 33.5617 175.6971 22 E 4.8198 7.9209 120.1681 54.8493 33.2921 173.6757 23 A 5.2055 8.2937 126.3197 51.0218 22.2849 175.9185 24 V 4.5334 8.9486 115.5646 58.6549 36.2752 173.6474 25 P 4.1973 0.0000 0.0000 63.3831 31.4981 174.1061 26 F 4.6913 9.3765 122.1266 58.6815 42.1557 173.1409 *32 P 4.2900 0.0000 0.0000 62.3774 33.5523 175.4112 33 A 4.9350 8.4000 123.9784 50.3432 23.6431 174.3078 34 I 4.9599 8.7853 119.4257 59.4864 40.8353 175.1945 35 K 4.5876 8.8747 126.8507 55.6960 33.4391 176.4320 36 V 5.0322 9.2271 117.5758 59.4799 36.1717 174.4854 37 K 5.1277 8.7620 121.7863 54.7731 34.9241 175.2868 38 I 4.6707 8.9371 125.4367 59.3841 40.4793 174.2939 39 D 4.7147 9.0128 127.7291 53.2278 41.8439 175.6159 40 F 4.7166 9.0250 125.3774 57.3159 40.4900 177.3270 41 G 3.9325 8.7368 108.4274 44.1051 0.0000 173.1588 42 P 4.4800 0.0000 0.0000 65.3122 31.4724 178.1026 43 E 4.2134 8.1900 116.6990 58.5007 29.9704 177.4947 44 I 3.9774 7.8813 117.7797 61.4291 38.6318 177.0017 45 G 3.8482 8.5577 108.7903 44.5798 0.0000 171.4531 46 I 4.6871 8.1728 119.8947 61.0777 38.1089 175.9484 47 K 4.9677 9.3216 125.6011 54.6416 36.3594 175.4669 48 K 5.0574 9.3725 123.2333 55.7192 34.2690 175.6833 49 S 5.1183 9.2417 116.8956 57.1148 66.5389 172.3557 50 S 5.3225 8.9692 118.4845 56.5062 64.7338 172.9663 51 A 4.6847 8.9614 127.6037 50.1948 22.5471 175.8477 52 Q 4.6184 8.8642 121.9047 53.5047 26.7042 175.9135 53 I 4.7874 7.4699 114.5947 60.6786 38.7452 178.4624 54 T 4.3758 8.1123 111.5296 63.9771 69.4575 175.9911 55 V 3.6202 7.9324 121.8121 66.0389 31.5934 176.2730 56 H 4.5688 7.8429 112.8762 55.8313 29.2628 174.2264 57 Y 4.9498 7.6197 116.7083 55.5980 41.7852 174.2110 58 T 4.7431 8.4735 111.6989 58.7878 73.3416 173.1349 59 P 4.2445 0.0000 0.0000 66.2837 31.0718 178.7319 60 E 4.0403 8.1235 115.8195 59.2068 29.5834 178.7959 61 S 4.4130 7.9668 111.9932 59.8818 63.7364 175.7485 62 L 4.3271 7.5271 123.3649 55.8293 41.7747 177.0688 63 V 3.9382 7.0523 118.6012 64.3052 31.6093 175.8233 64 G 4.0268 9.1297 116.5844 45.0668 0.0000 173.5663 65 R 4.1863 7.9799 120.9889 56.1661 31.4053 175.2620 66 Q 4.8440 8.5326 124.4959 55.4065 29.9697 175.3947 67 V 4.6017 8.8554 116.3114 59.5596 36.3967 174.1722 68 L 5.2987 8.4594 120.9268 53.3722 44.4480 176.0925 69 G 5.0672 9.0695 108.7595 43.7087 0.0000 171.8128 70 V 4.1833 8.3944 122.9073 62.5724 32.2130 176.4827 71 V 4.0665 8.4378 121.3973 60.5378 32.4231 176.2407 72 N 4.8807 7.3985 118.1255 52.2721 37.7203 174.4816 73 F 4.9598 7.7683 116.2763 56.7294 40.5307 174.3454 74 P 4.4705 0.0000 0.0000 61.7745 31.8101 174.7875 75 P 4.7029 0.0000 0.0000 63.2372 32.1965 175.7365 76 R 4.7216 8.9178 119.7537 54.5762 34.8106 173.8088 77 Q 4.6574 8.6753 123.3668 55.3686 30.4248 175.7683 78 I 4.4769 9.2980 128.2859 60.0398 38.3698 176.9999 79 G 3.8204 8.1018 118.4595 46.2323 0.0000 171.7688 80 P 4.4365 0.0000 0.0000 63.3294 31.8116 175.5572 81 F 4.5156 8.3101 123.4688 56.8111 40.1234 174.3692 82 R 4.3700 7.7201 128.7274 54.8739 29.6022 174.8986 83 S 4.2407 8.6974 122.2654 57.7290 62.9762 174.1142 84 E 4.5456 9.2135 126.4286 56.7296 31.8449 176.6158 85 V 4.7408 7.7334 109.9584 59.4114 36.3781 174.8906 86 L 4.5960 8.3452 125.1882 54.2259 43.3165 175.5728 87 T 4.7941 8.6016 123.9619 63.2352 69.4117 174.4096 88 L 4.4470 8.9996 127.3294 54.3229 43.6968 176.4980 89 G 4.5567 7.7860 107.5184 46.1445 0.0000 171.9463 90 F 5.0964 9.2293 117.1950 55.3711 43.5631 174.6290 91 A 4.6770 8.8293 124.5330 52.1724 19.2353 177.6294 92 D 4.6815 9.1508 122.1016 51.9942 41.7236 176.6862 93 A 3.9791 8.6341 120.7883 55.3469 18.2017 178.2352 94 N 4.5904 8.6285 111.1273 53.3968 39.1039 176.1706 95 G 3.9979 8.4238 107.1792 44.9310 0.0000 173.2332 96 D 4.7869 7.9361 119.5915 53.3795 42.7105 175.7025 97 I 4.5250 8.4013 123.3434 61.3352 38.0743 175.3407 98 V 4.7462 9.1711 127.3888 60.9206 33.7892 174.9018 99 L 4.5906 9.2486 128.4344 54.4576 42.0656 177.0967 100 A 4.5275 8.7273 124.7803 52.6666 19.3222 176.3454 101 A 4.5740 8.3318 120.9777 51.5354 22.3821 175.7847 102 V 4.5291 7.8819 111.4003 59.4473 34.1037 176.4441 103 E 4.0979 8.7557 123.9004 58.8821 29.8071 176.6741 104 R 4.6738 7.4649 112.2460 53.7318 32.2555 172.6413 105 P 4.5328 0.0000 0.0000 63.1144 31.8019 176.2713 106 V 4.5057 8.2121 120.5519 59.9671 34.9774 173.5368 107 P 4.3049 0.0000 0.0000 62.5034 31.4761 175.7750 108 N 4.5294 8.7426 119.9616 55.4297 38.8348 175.9233 109 G 4.2384 9.2746 111.0308 45.9966 0.0000 173.5901 110 E 4.1559 7.9506 119.8175 56.3168 30.5633 176.2294 111 K 4.6628 8.4942 124.8219 55.9066 33.5356 175.7415 112 M 4.4791 8.7664 127.8131 55.4089 32.9340 175.9093 113 C 4.5377 8.5359 119.8353 58.8230 29.5857 173.5833 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 3 G 8.35 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 4 E 7.95 4.16 0.00 2.02 1.83 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 2.25 2.33 0.00 5 I 7.77 4.62 1.97 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 1.44 0.59 0.92 0.00 0.00 6 S 8.65 4.49 0.00 4.03 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 7 Y 7.94 4.33 0.00 3.20 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 8 A 8.18 4.08 1.36 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 0.00 0.00 9 D 7.94 4.34 0.00 2.92 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 10 F 8.25 4.45 0.00 3.15 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 11 E 8.50 3.79 0.00 2.11 1.96 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 2.37 2.63 0.00 12 K 7.60 4.07 0.00 1.86 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.56 7.81 13 V 7.01 3.68 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 0.57 0.00 0.00 0.89 0.00 0.00 14 D 8.66 4.56 0.00 2.59 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.84 4.82 1.83 0.00 0.00 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 1.26 0.50 0.93 0.00 0.00 16 R 8.78 5.30 0.00 1.57 1.89 0.00 3.49 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.46 0.00 17 V 8.47 4.78 2.14 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 0.88 0.00 0.00 0.99 0.00 0.00 18 G 8.91 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 0.00 0.00 0.00 19 T 8.17 5.04 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 1.20 0.00 0.00 20 I 8.71 4.17 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.42 0.90 0.00 0.00 21 V 8.83 4.49 2.06 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 0.62 0.00 0.00 0.97 0.00 0.00 22 E 7.92 4.82 0.00 1.99 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 2.27 2.31 0.00 23 A 8.29 5.21 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 24 V 8.95 4.53 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 0.73 0.00 0.00 0.81 0.00 0.00 25 P 0.00 4.20 0.00 1.96 2.01 0.00 3.62 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 2.04 2.10 0.00 26 F 9.38 4.69 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 *32 P 0.00 4.29 0.00 2.13 1.99 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 33 A 8.40 4.93 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 34 I 8.79 4.96 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.94 0.00 0.00 35 K 8.87 4.59 0.00 1.34 1.34 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.27 7.81 36 V 9.23 5.03 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 0.76 0.00 0.00 1.02 0.00 0.00 37 K 8.76 5.13 0.00 1.69 1.69 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.42 7.81 38 I 8.94 4.67 1.63 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.82 -0.10 0.00 0.00 39 D 9.01 4.71 0.00 2.61 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 40 F 9.03 4.72 0.00 3.28 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 G 8.74 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 42 P 0.00 4.48 0.00 2.06 2.14 0.00 3.69 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 2.03 2.12 0.00 43 E 8.19 4.21 0.00 1.94 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 2.29 2.38 0.00 44 I 7.88 3.98 2.10 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.49 0.80 0.00 0.00 45 G 8.56 3.85 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 0.00 0.00 0.00 46 I 8.17 4.69 1.89 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 1.36 0.86 0.92 0.00 0.00 47 K 9.32 4.97 0.00 1.98 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.57 7.81 48 K 9.37 5.06 0.00 1.61 1.62 0.00 1.32 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.35 7.81 49 S 9.24 5.12 0.00 4.00 3.75 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 50 S 8.97 5.32 0.00 4.00 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 51 A 8.96 4.68 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 52 Q 8.86 4.62 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.46 0.00 0.00 0.00 0.00 0.00 2.51 2.20 0.00 53 I 7.47 4.79 2.16 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.05 0.99 0.00 0.00 54 T 8.11 4.38 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 1.28 0.00 0.00 55 V 7.93 3.62 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 0.63 0.00 0.00 0.91 0.00 0.00 56 H 7.84 4.57 0.00 2.34 2.51 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.62 4.95 0.00 3.22 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 58 T 8.47 4.74 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 1.24 0.00 0.00 59 P 0.00 4.24 0.00 2.19 2.41 0.00 3.63 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 2.13 2.22 0.00 60 E 8.12 4.04 0.00 1.94 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 0.00 2.33 2.44 0.00 61 S 7.97 4.41 0.00 4.17 4.05 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 62 L 7.53 4.33 0.00 1.82 1.70 0.93 0.43 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 63 V 7.05 3.94 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 0.72 0.00 0.00 0.98 0.00 0.00 64 G 9.13 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 65 R 7.98 4.19 0.00 1.94 1.86 0.00 2.94 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 66 Q 8.53 4.84 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 67 V 8.86 4.60 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 0.63 0.00 0.00 0.91 0.00 0.00 68 L 8.46 5.30 0.00 1.65 1.62 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.07 5.07 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 70 V 8.39 4.18 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 -0.07 0.00 0.00 0.81 0.00 0.00 71 V 8.44 4.07 1.69 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 -0.16 0.00 0.00 0.73 0.00 0.00 72 N 7.40 4.88 0.00 2.66 2.69 0.00 0.00 6.09 7.43 0.00 0.00 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 F 7.77 4.96 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 74 P 0.00 4.47 0.00 2.05 2.00 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 2.05 2.11 0.00 75 P 0.00 4.70 0.00 2.03 2.02 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 76 R 8.92 4.72 0.00 1.68 1.79 0.00 3.26 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 77 Q 8.68 4.66 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.73 0.00 78 I 9.30 4.48 2.30 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 1.10 0.00 0.00 79 G 8.10 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 80 P 0.00 4.44 0.00 2.25 2.23 0.00 4.00 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 81 F 8.31 4.52 0.00 2.97 3.18 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 82 R 7.72 4.37 0.00 1.64 1.58 0.00 3.20 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 83 S 8.70 4.24 0.00 4.19 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 0.00 84 E 9.21 4.55 0.00 1.97 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 2.17 2.29 0.00 85 V 7.73 4.74 2.22 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 0.62 0.00 0.00 1.22 0.00 0.00 86 L 8.35 4.60 0.00 2.07 1.78 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.60 4.79 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 1.22 0.00 0.00 88 L 9.00 4.45 0.00 1.70 1.52 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.79 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.23 5.10 0.00 2.99 2.94 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 91 A 8.83 4.68 1.29 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 0.00 0.00 0.00 92 D 9.15 4.68 0.00 2.91 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 93 A 8.63 3.98 1.32 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 0.00 0.00 94 N 8.63 4.59 0.00 2.95 2.88 0.00 0.00 7.23 7.74 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 95 G 8.42 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 96 D 7.94 4.79 0.00 2.85 2.52 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 0.00 0.00 0.00 97 I 8.40 4.52 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 1.02 0.00 0.00 98 V 9.17 4.75 2.24 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 1.18 0.00 0.00 0.96 0.00 0.00 99 L 9.25 4.59 0.00 1.49 1.54 0.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.73 4.53 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 0.00 101 A 8.33 4.57 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 0.00 102 V 7.88 4.53 2.20 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 0.78 0.00 0.00 1.03 0.00 0.00 103 E 8.76 4.10 0.00 1.93 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 2.30 2.25 0.00 104 R 7.46 4.67 0.00 1.91 1.84 0.00 3.11 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 105 P 0.00 4.53 0.00 2.06 2.04 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 V 8.21 4.51 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 0.82 0.00 0.00 1.01 0.00 0.00 107 P 0.00 4.30 0.00 2.23 1.98 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 108 N 8.74 4.53 0.00 2.75 2.83 0.00 0.00 7.34 7.94 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 0.00 109 G 9.27 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 0.00 0.00 0.00 0.00 110 E 7.95 4.16 0.00 1.97 1.91 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 2.48 2.42 0.00 111 K 8.49 4.66 0.00 1.71 1.68 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.45 7.81 112 M 8.77 4.48 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 113 C 8.54 4.54 0.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.