NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.2593 8.1627 120.3456 56.0161 32.5343 174.0220 1 S 3.7342 8.5728 118.7645 58.3777 61.3092 170.2819 2 E 4.2427 8.0960 118.4828 56.8955 30.0736 177.5420 3 L 4.1509 7.4938 120.7340 58.2961 41.7644 178.5651 4 E 3.9663 8.1196 118.7740 59.1491 29.6553 178.7329 5 K 4.0131 8.5884 118.8173 59.3046 32.1292 179.2710 6 A 4.0383 7.9351 120.6592 55.4266 18.2525 179.4736 7 M 4.0840 8.1614 117.3090 58.4928 31.9999 179.1841 8 V 3.6341 7.7067 118.3410 65.9502 31.7753 178.0191 9 A 4.0990 8.1278 120.6592 54.8729 17.7823 179.2811 10 L 4.0513 8.0995 119.0313 58.5392 42.0475 179.3953 11 I 3.9795 7.7424 119.9319 64.2120 36.7948 177.8452 12 D 4.4385 7.7569 117.8427 57.5245 41.3212 178.2480 13 V 3.8067 7.7955 118.2325 65.9193 31.5182 177.5576 14 F 3.5834 7.9694 119.8875 61.6656 38.9916 176.8572 15 H 4.5720 8.3093 115.1364 58.3228 28.2163 177.4850 16 Q 3.8770 8.0914 121.6260 59.0933 29.1438 177.1328 17 Y 4.0624 7.6881 116.2508 59.6577 38.8723 177.9795 18 S 4.0300 7.6540 116.2210 61.5345 62.9905 176.3231 19 G 3.8604 7.6157 106.6145 46.6758 0.0000 174.6603 20 R 3.9203 8.0144 120.7855 58.6331 30.3219 176.2059 21 E 4.7544 8.0308 115.7566 53.7809 32.2269 177.0282 22 G 3.8911 8.7637 109.4405 49.0057 0.0000 174.3864 23 D 4.7765 7.7633 121.4176 54.0333 39.2424 177.6964 24 K 4.5965 7.8046 119.8927 59.2538 32.7628 178.4901 25 H 4.7590 8.2459 115.5854 56.7785 30.2291 173.8410 26 K 4.9099 7.6124 115.5024 56.1997 36.3978 175.2935 27 L 4.8870 8.5645 119.6831 52.8437 44.4900 176.1404 28 K 4.7214 8.5432 125.0033 54.8899 33.7078 177.3305 29 K 3.2129 8.3603 125.7763 60.1861 31.7084 179.2975 30 S 4.0379 7.8650 113.8429 61.3540 62.5444 175.5100 31 E 4.0122 7.9532 121.5227 58.9332 29.4080 178.1752 32 L 3.7488 8.6535 121.7701 57.9117 42.0010 178.8352 33 K 3.8214 7.7319 119.5426 59.5451 32.0919 178.5585 34 E 3.8358 7.7704 117.5343 59.1526 29.4675 179.0544 35 L 2.0000 7.0571 119.8392 57.4243 41.9101 179.2494 36 I 3.6946 7.3594 119.5559 64.4668 36.8974 178.2835 37 N 4.4078 8.7530 117.2783 55.8229 38.4410 176.2795 38 N 4.6653 7.9890 116.7924 55.3973 39.7346 175.7985 39 E 4.2180 8.0166 120.1519 58.7519 30.4348 177.5211 40 L 4.7144 7.1424 118.5615 53.2697 40.4577 176.3947 41 S 4.4535 7.9249 114.7474 60.6521 63.5639 175.8857 42 H 4.8585 7.9865 113.3167 54.8783 31.0920 174.2204 43 F 4.6012 8.6537 121.0454 60.3622 39.4156 174.6244 44 L 4.5548 7.3986 119.0532 52.2338 45.0140 175.0462 45 E 3.8576 8.6459 124.0277 56.2571 29.8760 176.6508 46 E 4.1319 8.6722 125.8652 56.6817 30.2615 175.8963 47 I 4.4192 7.9455 120.5611 60.3027 38.4219 176.2751 48 K 4.4946 8.5174 121.9454 56.3938 33.9307 176.1900 49 E 4.7905 7.6262 117.3951 53.6250 33.5631 176.5238 50 Q 4.1556 8.6087 120.5598 58.5807 28.7567 178.7508 51 E 3.9496 8.1361 118.8175 59.4462 29.5484 179.1780 52 V 3.5678 7.4387 117.7879 65.7648 31.5617 178.2218 53 V 3.5538 7.6758 117.5165 65.9156 31.4284 177.3763 54 D 4.3094 8.0095 117.9927 57.0078 40.7083 178.1679 55 K 3.9507 8.0937 120.4488 59.4127 32.1418 179.0494 56 V 3.7003 7.8052 118.6220 66.2359 31.1781 177.9449 57 M 3.9363 8.1366 118.4001 57.8579 31.4872 178.1985 58 E 3.9685 7.7916 119.2380 59.5553 29.8351 178.5913 59 T 4.1427 7.4014 113.3423 65.9479 68.8497 176.2814 60 L 4.2668 8.3163 120.9708 56.1757 43.6762 177.0864 61 D 4.6823 9.3472 120.6956 53.3394 37.5800 176.3944 62 E 3.9731 9.1913 123.1503 59.5071 30.1749 178.7217 63 D 4.5282 8.3298 114.9658 53.0019 40.0352 176.1280 64 G 3.9986 7.9675 108.2395 46.7021 0.0000 174.1039 65 D 4.6338 8.8265 117.1589 52.1864 40.2760 177.0981 66 G 3.9778 10.0117 109.8519 45.6425 0.0000 172.7574 67 E 4.8799 9.6223 119.6220 54.4956 33.7260 174.6522 68 C 4.8111 8.7360 119.5957 57.1403 31.6396 173.5447 69 D 5.0354 9.3838 124.3256 53.2748 42.0593 177.1562 70 F 3.3778 9.1394 121.0321 61.7546 38.7144 176.9328 71 Q 4.0414 8.1438 117.0203 59.4471 28.8215 177.5836 72 E 4.1592 8.1886 119.0950 59.5014 29.4574 179.0514 73 F 4.2004 8.9077 121.0294 61.2464 39.4426 177.0892 74 M 4.1302 8.1603 118.5571 58.3941 31.8652 178.5333 75 A 4.2300 7.7253 121.1010 54.3295 18.5517 179.3824 76 F 3.9354 7.8726 118.9388 61.4526 39.4018 177.3964 77 V 3.3426 7.2173 117.8839 65.6689 31.1161 178.2162 78 S 4.0766 7.5518 112.8804 61.5275 62.6551 176.5074 79 M 3.9309 7.4014 120.9631 58.1350 32.0116 178.6594 80 V 3.5025 7.1201 118.2360 65.9884 31.5913 178.1386 81 T 3.9037 7.7118 115.6726 66.9463 68.1274 176.4379 82 T 3.8752 7.6933 117.3950 66.7083 68.5579 176.2753 83 A 4.0107 7.8984 122.5767 55.3353 17.6443 179.1584 84 C 4.4068 8.2401 117.2062 63.0207 31.4074 175.2598 85 H 4.6339 7.8606 119.0590 59.2645 29.4956 176.4737 86 E 4.0088 8.1380 119.6556 59.3192 29.5483 178.3663 87 F 4.3520 7.7865 116.3803 59.5515 40.4394 177.0137 88 F 4.6715 9.4466 121.6484 56.0111 35.9829 176.0890 89 E 4.0639 7.6501 119.5647 55.9403 29.6987 175.3028 90 H 4.1754 9.0496 129.9349 59.6441 30.2963 175.5306 *91 E 4.1630 8.0245 118.4538 56.0626 30.2539 177.3164 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 0 M 8.16 4.26 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 1 S 8.57 3.73 0.00 4.08 3.81 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 2 E 8.10 4.24 0.00 2.01 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 2.32 2.46 0.00 3 L 7.49 4.15 0.00 1.85 1.71 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.12 3.97 0.00 2.08 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 2.39 2.41 0.00 5 K 8.59 4.01 0.00 1.92 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 6 A 7.94 4.04 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 7 M 8.16 4.08 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 8 V 7.71 3.63 2.25 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 1.14 0.00 0.00 1.00 0.00 0.00 9 A 8.13 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.05 0.00 2.07 1.80 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.74 3.98 2.15 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 1.68 1.49 1.04 0.00 0.00 12 D 7.76 4.44 0.00 2.74 2.92 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 13 V 7.80 3.81 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 1.25 0.00 0.00 1.15 0.00 0.00 14 F 7.97 3.58 0.00 2.78 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 15 H 8.31 4.57 0.00 3.50 3.41 0.00 5.70 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 16 Q 8.09 3.88 0.00 2.01 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.85 0.00 0.00 0.00 0.00 0.00 1.83 2.23 0.00 17 Y 7.69 4.06 0.00 2.80 2.84 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 18 S 7.65 4.03 0.00 3.86 4.13 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 19 G 7.62 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 0.00 0.00 0.00 20 R 8.01 3.92 0.00 1.66 2.03 0.00 3.21 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 21 E 8.03 4.75 0.00 2.18 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 0.00 2.21 2.20 0.00 22 G 8.76 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 23 D 7.76 4.78 0.00 2.86 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 24 K 7.80 4.60 0.00 1.81 1.95 0.00 1.82 0.00 0.00 2.31 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.59 7.81 25 H 8.25 4.76 0.00 3.14 3.42 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.61 4.91 0.00 1.93 1.82 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 27 L 8.56 4.89 0.00 1.84 1.47 0.20 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.54 4.72 0.00 1.97 1.64 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.42 7.81 29 K 8.36 3.21 0.00 1.95 2.07 0.00 1.34 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 30 S 7.86 4.04 0.00 3.90 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 31 E 7.95 4.01 0.00 2.20 1.92 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 2.31 2.36 0.00 32 L 8.65 3.75 0.00 1.66 1.70 0.84 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.73 3.82 0.00 1.85 1.89 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 34 E 7.77 3.84 0.00 2.36 2.26 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 2.49 2.51 0.00 35 L 7.06 2.00 0.00 0.89 1.40 0.26 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.36 3.69 1.77 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 0.91 0.00 0.00 37 N 8.75 4.41 0.00 2.67 2.86 0.00 0.00 7.04 7.83 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 38 N 7.99 4.67 0.00 2.81 3.26 0.00 0.00 7.47 7.30 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 39 E 8.02 4.22 0.00 1.95 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 2.49 2.55 0.00 40 L 7.14 4.71 0.00 1.83 1.69 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.92 4.45 0.00 3.98 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 42 H 7.99 4.86 0.00 3.12 3.37 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.65 4.60 0.00 2.88 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 44 L 7.40 4.55 0.00 1.13 1.32 0.70 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.65 3.86 0.00 1.92 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 2.28 2.39 0.00 46 E 8.67 4.13 0.00 2.04 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 2.54 2.52 0.00 47 I 7.95 4.42 2.04 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 1.39 0.75 0.97 0.00 0.00 48 K 8.52 4.49 0.00 1.71 1.82 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.36 7.81 49 E 7.63 4.79 0.00 1.95 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 2.28 2.29 0.00 50 Q 8.61 4.16 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 51 E 8.14 3.95 0.00 2.18 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 0.00 2.35 2.36 0.00 52 V 7.44 3.57 2.18 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 1.07 0.00 0.00 0.92 0.00 0.00 53 V 7.68 3.55 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 1.05 0.00 0.00 0.94 0.00 0.00 54 D 8.01 4.31 0.00 2.76 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 55 K 8.09 3.95 0.00 1.88 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 56 V 7.81 3.70 2.17 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 0.90 0.00 0.00 1.00 0.00 0.00 57 M 8.14 3.94 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.80 0.00 58 E 7.79 3.97 0.00 1.98 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 0.00 2.33 2.36 0.00 59 T 7.40 4.14 4.41 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 1.24 0.00 0.00 60 L 8.32 4.27 0.00 1.75 1.66 1.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.35 4.68 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.19 3.97 0.00 2.08 2.02 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 2.49 2.55 0.00 63 D 8.33 4.53 0.00 2.80 2.80 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 64 G 7.97 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 65 D 8.83 4.63 0.00 2.80 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 66 G 10.01 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 0.00 0.00 0.00 67 E 9.62 4.88 0.00 1.88 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 0.00 2.24 2.47 0.00 68 C 8.74 4.81 0.00 3.11 3.09 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 69 D 9.38 5.04 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.14 3.38 0.00 2.87 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 71 Q 8.14 4.04 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 72 E 8.19 4.16 0.00 2.27 2.17 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 2.63 2.43 0.00 73 F 8.91 4.20 0.00 3.29 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 74 M 8.16 4.13 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.86 0.00 75 A 7.73 4.23 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 76 F 7.87 3.94 0.00 2.89 2.56 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 77 V 7.22 3.34 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 1.04 0.00 0.00 0.71 0.00 0.00 78 S 7.55 4.08 0.00 4.08 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 79 M 7.40 3.93 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 80 V 7.12 3.50 1.66 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 0.71 0.00 0.00 -0.06 0.00 0.00 81 T 7.71 3.90 4.34 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 1.24 0.00 0.00 82 T 7.69 3.88 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 1.17 0.00 0.00 83 A 7.90 4.01 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 84 C 8.24 4.41 0.00 3.30 3.29 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 85 H 7.86 4.63 0.00 3.18 3.51 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.14 4.01 0.00 1.88 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 1.85 2.22 0.00 87 F 7.79 4.35 0.00 3.38 3.09 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 88 F 9.45 4.67 0.00 3.29 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 89 E 7.65 4.06 0.00 1.96 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 2.39 2.29 0.00 90 H 9.05 4.18 0.00 3.22 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 E 8.02 4.16 0.00 1.77 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.