NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.5282 8.3349 115.4237 57.7607 64.3837 173.5454 -1 N 4.2452 8.6872 117.7923 55.8053 38.4434 175.4904 0 A 4.1652 7.3818 120.7133 54.5602 19.5786 176.8833 3 T 4.7925 7.4913 102.8324 59.0522 72.3618 174.7975 4 T 3.9944 8.7242 112.5033 65.2509 68.6662 176.0071 5 A 4.0242 8.1470 123.7202 54.7960 18.1282 178.7618 6 E 4.2161 7.7042 114.4950 58.2373 29.8725 178.8387 7 Q 4.3525 8.4624 119.6389 58.4801 28.6884 178.2427 8 I 3.5530 7.6830 121.0979 63.9539 37.2245 176.3275 9 P 4.1000 0.0000 0.0000 65.7628 31.0904 178.5493 10 F 4.1486 7.9227 115.7792 60.7254 38.8431 177.6534 11 Q 3.8079 7.9101 117.3717 58.7706 28.3465 178.7032 12 L 3.9293 7.7689 120.1784 57.7682 41.5316 179.7315 13 I 3.6527 7.7718 119.7850 64.0394 37.0520 177.9247 14 L 3.9127 7.9907 121.2486 58.4439 41.8331 178.9455 15 N 4.3893 8.1271 115.9213 56.5299 38.6121 177.6173 16 S 4.2652 8.2700 116.7068 61.5913 62.8361 177.0959 17 G 3.5384 8.3703 108.5808 48.0084 0.0000 175.5293 18 N 4.1068 8.2865 119.0320 55.5419 38.4711 177.3882 19 A 4.1692 8.3256 122.6676 55.3008 18.3361 179.6239 20 R 3.8749 8.0442 116.0161 59.7219 30.2273 178.4429 21 S 4.1946 8.0672 114.1315 61.6548 62.9961 176.4726 22 F 4.9787 8.5399 121.6363 59.9753 38.5493 178.0322 23 A 4.2779 8.0525 116.3512 53.2708 17.7618 178.7948 *25 E 3.8709 8.1413 121.4257 57.6303 31.7446 178.2999 26 A 4.2933 8.4316 120.6906 55.0148 18.4065 179.2883 27 L 3.9106 8.1395 119.0530 58.4976 41.6562 178.9651 28 Q 3.8094 7.8853 118.7897 59.0614 28.8937 178.0053 29 F 4.4053 8.1009 118.6860 60.7698 38.9508 177.3778 30 A 3.9923 8.2750 120.3378 55.2224 17.9359 179.5367 31 K 2.5197 7.5774 116.8155 58.7240 32.1813 177.9688 32 Q 4.3922 7.3370 114.7930 55.1289 28.9854 176.4333 33 G 3.9153 7.9599 108.5174 45.6001 0.0000 173.6474 34 K 4.1556 8.0592 119.7014 55.1525 33.3574 177.5895 *36 A 4.2549 8.4823 125.3942 52.2993 20.6785 178.6927 37 E 3.7072 7.8204 114.6561 58.9853 29.1105 179.2615 38 A 4.1532 7.6875 120.1674 55.3857 18.6331 178.8450 39 D 4.4964 8.0887 115.4476 57.8061 41.3296 178.5121 40 E 4.0648 8.1877 119.3097 58.7787 29.5689 179.1165 41 A 4.3875 7.9905 121.0790 52.0062 18.5699 179.6043 *43 V 3.9073 7.8078 122.3972 64.4777 33.6162 177.6784 44 K 3.7295 7.6582 118.3798 58.8492 31.5718 179.0557 45 A 4.1996 8.0842 121.5217 55.2327 18.3249 179.3740 46 K 3.8313 8.0683 117.3054 59.9231 32.2327 178.4230 47 E 3.9542 8.2472 118.3664 59.5148 29.3853 179.3532 48 A 4.1384 8.2576 120.7069 55.2052 18.4066 179.7323 49 I 3.7536 8.0034 118.4068 64.4871 37.1962 178.3170 50 N 4.2900 8.2856 117.3906 56.4775 36.8458 177.2695 51 E 4.0691 8.2679 119.6275 59.4176 29.4655 179.3279 52 A 4.5628 8.2751 120.8848 55.4911 18.4706 179.1096 53 H 4.1634 8.6421 117.2373 59.6677 29.5885 176.9079 54 H 4.0745 7.9634 117.9139 59.2464 28.5438 177.6718 55 F 4.2242 7.6052 117.7788 60.2416 38.6238 177.4081 56 Q 4.0028 7.9593 119.1106 59.6555 28.7791 178.6831 57 T 3.7965 7.8121 116.3987 66.7420 68.5596 176.1403 58 E 3.8978 7.8525 120.8432 59.1391 29.3883 178.7387 59 L 3.9488 7.9514 120.2672 58.1987 42.3169 178.7142 60 I 3.6942 7.9695 120.0158 64.6426 37.1003 178.1996 61 Q 3.9633 8.3885 120.3512 59.1316 28.8707 178.0265 62 S 4.1333 8.0952 116.2971 62.0025 62.9136 176.6475 63 E 3.9382 7.9793 120.3965 59.6098 29.0613 179.1672 64 A 3.9862 7.8330 119.1590 55.5476 18.4476 179.4604 65 R 4.1338 7.9289 114.4539 57.2937 30.2122 177.8251 66 G 3.8440 8.4981 107.2874 45.5253 0.0000 174.1086 67 E 4.2402 7.7758 120.3176 54.0777 28.1256 175.2924 68 K 3.9466 8.3187 124.2442 56.6756 32.7298 176.6357 69 T 4.2322 8.2650 123.1400 62.6459 69.4346 174.0337 70 E 4.0979 8.5750 126.2917 55.8144 29.9355 176.0747 71 I 4.1574 8.2534 128.1189 60.6920 38.2427 175.8881 72 S 4.7293 8.1655 118.9113 55.4314 67.5450 174.9872 73 V 3.5202 8.3027 121.3125 66.2811 31.0928 177.8339 74 L 3.8546 7.7600 119.2854 58.0021 41.8909 178.4346 75 L 3.8631 7.7315 119.9848 58.1916 41.9448 179.0597 76 I 3.6630 7.7282 119.7173 64.5854 36.9797 177.8194 77 H 4.0660 8.6574 119.2602 59.2208 29.6790 177.0284 78 A 3.9535 8.5903 122.7977 55.3743 17.9753 179.6301 79 Q 3.9609 8.0647 115.4955 59.0936 28.8275 178.4341 80 D 4.4765 7.9254 118.9993 57.7805 41.1027 178.2396 81 H 4.3221 8.3448 116.9408 58.6690 28.7726 177.7095 82 L 4.9065 7.6816 119.0486 55.8594 41.4765 177.6899 *84 N 4.5759 8.0741 117.2912 53.3596 40.7825 176.1373 85 A 4.0542 8.3309 120.0516 55.3095 18.3842 179.6334 86 I 3.6700 7.6725 117.7548 64.8728 37.2088 178.8745 87 T 3.8926 7.8364 116.0080 66.5898 68.3477 176.8222 88 V 3.6472 8.2554 120.6133 65.7799 31.5931 177.8686 89 K 3.9424 8.3541 119.6598 59.6512 31.8091 178.2816 90 E 3.9743 8.2565 119.4751 59.3308 29.4482 178.6881 91 L 4.2250 8.2122 118.6351 57.2868 41.7551 179.0660 92 A 4.3011 8.6844 121.1912 55.1377 18.2952 179.2158 93 A 4.0025 8.2203 119.3106 55.7653 18.4331 179.7550 94 E 3.9799 7.7169 116.8634 59.2219 29.4772 179.4597 95 F 4.1480 8.4708 118.2405 60.5878 39.0327 177.7053 96 I 3.9513 8.3743 119.7653 64.6866 36.9656 178.2693 97 D 4.4277 8.2487 119.7443 57.2595 40.6045 178.6231 98 L 3.9418 7.9439 120.8104 58.3474 42.1838 178.6913 99 Y 4.1685 8.3702 116.9582 60.8614 37.7539 178.5031 100 K 4.0886 8.3781 119.7040 59.2594 31.8961 179.3134 101 K 3.9763 8.2118 119.9907 59.5365 31.6301 178.9746 102 L 4.0360 8.0078 119.2745 57.6621 41.2344 179.3838 103 E 4.0351 8.0642 117.6146 59.2957 29.5107 178.9004 104 A 4.1244 7.8433 119.8030 54.9409 18.3907 178.5480 105 K 4.2294 7.6945 117.9774 58.6078 32.5291 176.7484 106 G 3.7512 7.9937 112.4122 45.7999 0.0000 173.0201 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 S 8.33 4.53 0.00 4.02 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 -1 N 8.69 4.25 0.00 2.83 2.93 0.00 0.00 6.85 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 7.38 4.17 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 3 T 7.49 4.79 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 4 T 8.72 3.99 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 1.23 0.00 0.00 5 A 8.15 4.02 1.37 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 6 E 7.70 4.22 0.00 2.18 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 0.00 2.38 2.38 0.00 7 Q 8.46 4.35 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 8 I 7.68 3.55 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.93 0.95 0.00 0.00 9 P 0.00 4.10 0.00 1.75 1.90 0.00 3.68 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 2.00 2.10 0.00 10 F 7.92 4.15 0.00 3.17 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 11 Q 7.91 3.81 0.00 1.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 12 L 7.77 3.93 0.00 1.76 1.67 0.91 1.09 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 13 I 7.77 3.65 1.82 0.00 0.00 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 1.35 0.78 0.80 0.00 0.00 14 L 7.99 3.91 0.00 1.86 1.83 0.92 0.55 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 15 N 8.13 4.39 0.00 2.90 3.14 0.00 0.00 7.13 7.60 0.00 0.00 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 S 8.27 4.27 0.00 3.95 4.11 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 0.00 0.00 0.00 0.00 17 G 8.37 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.29 4.11 0.00 2.91 2.73 0.00 0.00 6.96 6.80 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 19 A 8.33 4.17 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.04 3.87 0.00 1.82 2.12 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 21 S 8.07 4.19 0.00 3.71 3.86 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 22 F 8.54 4.98 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 23 A 8.05 4.28 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 *25 E 8.14 3.87 0.00 2.34 1.90 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 2.15 2.27 0.00 26 A 8.43 4.29 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 3.91 0.00 1.88 1.62 0.60 0.68 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 28 Q 7.89 3.81 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 29 F 8.10 4.41 0.00 3.29 3.17 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 0.00 30 A 8.28 3.99 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.58 2.52 0.00 1.44 1.75 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.07 7.81 32 Q 7.34 4.39 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.80 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 33 G 7.96 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 34 K 8.06 4.16 0.00 2.11 1.78 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 *36 A 8.48 4.25 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 37 E 7.82 3.71 0.00 1.46 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 1.81 2.07 0.00 38 A 7.69 4.15 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.09 4.50 0.00 2.78 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 40 E 8.19 4.06 0.00 2.08 1.86 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 2.23 2.26 0.00 41 A 7.99 4.39 1.62 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 0.00 0.00 *43 V 7.81 3.91 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 0.93 0.00 0.00 0.97 0.00 0.00 44 K 7.66 3.73 0.00 1.01 0.74 0.00 1.32 0.00 0.00 1.16 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.08 1.25 7.81 45 A 8.08 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.07 3.83 0.00 1.88 2.02 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.60 7.81 47 E 8.25 3.95 0.00 2.16 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 2.49 2.44 0.00 48 A 8.26 4.14 1.58 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 49 I 8.00 3.75 2.05 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 1.57 0.71 0.92 0.00 0.00 50 N 8.29 4.29 0.00 2.98 2.84 0.00 0.00 7.01 7.23 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 51 E 8.27 4.07 0.00 2.29 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 0.00 2.58 2.57 0.00 52 A 8.28 4.56 1.47 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 53 H 8.64 4.16 0.00 3.30 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 7.96 4.07 0.00 3.05 3.03 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.61 4.22 0.00 3.22 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 56 Q 7.96 4.00 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 57 T 7.81 3.80 4.19 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 1.19 0.00 0.00 58 E 7.85 3.90 0.00 2.05 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 0.00 2.34 2.41 0.00 59 L 7.95 3.95 0.00 2.09 1.88 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.97 3.69 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 1.66 0.99 0.92 0.00 0.00 61 Q 8.39 3.96 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 62 S 8.10 4.13 0.00 4.16 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 63 E 7.98 3.94 0.00 2.17 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 2.34 2.35 0.00 64 A 7.83 3.99 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 65 R 7.93 4.13 0.00 2.03 2.00 0.00 3.17 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 66 G 8.50 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 67 E 7.78 4.24 0.00 2.08 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 2.24 0.00 68 K 8.32 3.95 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.53 7.81 69 T 8.26 4.23 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 1.22 0.00 0.00 70 E 8.57 4.10 0.00 1.91 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 2.29 2.39 0.00 71 I 8.25 4.16 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 1.47 0.94 0.90 0.00 0.00 72 S 8.17 4.73 0.00 3.95 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 73 V 8.30 3.52 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 0.97 0.00 0.00 0.91 0.00 0.00 74 L 7.76 3.85 0.00 1.65 1.46 0.74 -0.46 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 75 L 7.73 3.86 0.00 1.79 1.77 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.73 3.66 2.00 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 1.40 0.52 0.90 0.00 0.00 77 H 8.66 4.07 0.00 3.26 3.45 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.59 3.95 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 79 Q 8.06 3.96 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 80 D 7.93 4.48 0.00 2.73 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 81 H 8.34 4.32 0.00 3.22 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.68 4.91 0.00 1.80 1.80 0.98 0.43 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 *84 N 8.07 4.58 0.00 2.96 2.98 0.00 0.00 6.98 8.40 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 85 A 8.33 4.05 1.50 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 0.00 0.00 86 I 7.67 3.67 1.89 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 1.54 0.84 0.92 0.00 0.00 87 T 7.84 3.89 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 1.24 0.00 0.00 88 V 8.26 3.65 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 1.08 0.00 0.00 1.05 0.00 0.00 89 K 8.35 3.94 0.00 1.96 2.02 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 90 E 8.26 3.97 0.00 2.22 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 0.00 2.31 2.36 0.00 91 L 8.21 4.23 0.00 1.88 1.78 0.97 0.56 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 92 A 8.68 4.30 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.22 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.72 3.98 0.00 2.05 1.82 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 2.49 2.41 0.00 95 F 8.47 4.15 0.00 3.35 3.27 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 0.00 96 I 8.37 3.95 2.14 0.00 0.00 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 1.66 1.26 1.01 0.00 0.00 97 D 8.25 4.43 0.00 2.92 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 98 L 7.94 3.94 0.00 1.78 1.75 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.37 4.17 0.00 3.27 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 0.00 100 K 8.38 4.09 0.00 2.04 1.90 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.64 7.81 101 K 8.21 3.98 0.00 1.94 1.92 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 102 L 8.01 4.04 0.00 1.94 1.74 0.76 0.94 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 0.00 103 E 8.06 4.04 0.00 2.20 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 0.00 2.42 2.61 0.00 104 A 7.84 4.12 1.40 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 0.00 105 K 7.69 4.23 0.00 1.75 1.77 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.45 7.81 106 G 7.99 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.