NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 M 4.4577 8.1585 120.3286 55.2425 33.2955 177.4615 15 A 3.9005 8.0052 121.0735 53.8753 18.5796 177.5121 16 K 4.2817 8.7018 118.5507 59.0052 32.9965 176.9992 17 L 4.2126 7.9121 118.8681 57.9661 41.2884 178.8994 18 D 4.3412 7.8406 116.8995 57.2015 40.9674 177.9455 19 E 4.0874 7.5179 119.0997 59.1337 29.9590 178.5246 20 L 4.1393 7.9286 118.7187 57.7020 41.9088 179.2126 21 K 3.2821 8.2854 118.7443 59.7320 31.7457 179.0061 22 Q 4.0953 7.3638 116.6920 57.7624 28.7797 177.0660 23 K 4.2404 7.7949 117.6567 56.5867 32.5735 176.4858 24 L 4.7863 7.1038 118.8427 52.5872 44.4297 176.9669 25 T 4.1513 8.3789 111.9524 60.8966 71.0561 175.6470 26 A 3.9341 8.4599 123.4332 55.5353 18.3024 180.0101 27 K 4.0420 8.0121 117.3664 59.7265 32.3037 178.8664 28 Q 3.6297 7.8367 118.3955 58.7561 28.4987 178.8763 29 I 3.7528 7.9502 120.9995 64.4033 37.1128 178.0465 30 Q 4.1199 8.3308 120.1634 59.3411 28.8188 178.3326 31 A 4.2128 8.8180 121.7753 55.3412 18.6069 179.3530 32 A 3.8519 8.6666 119.3613 55.6813 18.3732 179.5363 33 Y 3.8661 8.2254 115.1834 60.8991 37.9367 178.4232 34 L 4.0093 8.4018 121.4844 58.2604 41.7817 178.9653 35 L 3.9953 8.1475 118.9771 57.8349 41.4603 179.8581 36 V 3.1827 7.5324 117.8307 65.8784 31.3861 177.8224 37 E 3.7318 8.1286 118.7220 59.5088 29.0822 178.8878 38 N 4.2582 8.0880 115.8997 56.2230 38.9682 175.8499 39 E 4.4026 7.3596 118.1176 56.7761 30.5713 176.6071 40 L 4.6652 8.0277 115.4688 54.1638 43.4711 175.6524 41 M 4.5926 8.0152 119.6906 53.1658 33.4950 175.0715 42 E 3.9116 8.6817 124.3928 56.2164 29.8966 175.8333 *47 E 4.0650 8.4863 124.1482 55.2277 30.6617 175.5050 48 K 4.2180 8.4918 124.7936 56.4927 32.8053 177.1154 49 R 4.3192 9.3077 122.0182 56.2422 30.8140 177.4882 50 T 4.3550 8.8191 112.1526 60.9711 71.2656 176.0582 51 Q 4.0202 8.5162 120.0494 59.3598 28.7329 178.9597 52 D 4.3489 8.0718 119.2745 57.4272 40.8812 178.5331 53 E 4.0059 8.2537 119.0899 59.6853 29.4264 179.4091 54 M 4.0799 8.3139 118.5701 58.2917 31.9688 178.6148 55 A 3.9807 8.2665 121.1366 55.0936 18.4973 179.4935 56 N 4.2363 8.2636 114.9237 56.5662 38.4861 177.0956 57 E 3.9621 8.0778 119.2269 59.4421 29.7757 178.4758 58 L 4.3070 8.1368 117.1275 54.9025 41.9417 177.1587 59 G 3.8919 8.0809 106.9744 46.6454 0.0000 173.3132 60 I 4.5601 7.7487 111.5377 57.8518 40.8305 175.3580 61 N 4.5031 8.1366 118.0245 52.6803 40.4571 176.1596 62 R 3.8653 8.5627 123.4698 60.1766 29.9757 179.0430 63 T 3.8343 7.7245 108.7341 64.8891 68.6962 176.5850 64 T 3.4594 7.5354 118.0566 66.1669 68.5381 176.1122 65 L 3.4258 7.1825 121.6460 57.6951 42.1404 178.7078 66 W 4.0647 8.1957 128.1861 60.5275 30.5348 177.6923 67 E 4.1302 8.5428 118.7057 59.3496 28.7584 179.4217 68 W 4.2293 8.0561 118.9156 59.9896 28.8103 178.9315 69 R 4.2240 8.0511 116.8147 58.5713 29.5075 178.1762 70 T 4.3339 7.6074 107.5260 61.8694 70.1157 175.3561 71 K 4.3808 8.3315 118.5351 55.8157 34.5507 176.0780 72 N 4.7302 7.8225 117.6429 52.2214 38.8715 175.0403 73 Q 4.0811 8.4827 128.2136 58.8343 28.9491 178.2674 74 D 4.3620 8.1635 119.6635 57.1590 40.8523 178.2898 75 F 4.0975 9.0469 121.5540 61.3682 39.4506 177.1416 76 I 3.5861 8.0790 119.1346 64.4175 37.0660 178.3299 77 A 3.9572 8.1340 121.5353 55.0214 18.1484 179.4922 78 F 4.0199 8.2795 119.2153 61.2755 39.3966 177.2011 79 K 3.3752 7.9187 119.4581 59.5129 31.8271 178.9158 80 S 3.9688 7.9407 115.3452 61.3999 62.6843 176.5171 81 E 3.8200 7.8112 121.0083 59.2700 29.1324 179.5140 82 V 3.2911 7.2881 118.0539 65.7236 31.4083 177.7139 83 A 3.8550 7.8837 120.6926 55.3681 18.1430 179.2121 84 D 4.2786 8.0893 117.1825 57.6970 40.6143 179.3255 85 S 4.0867 8.0440 115.4222 61.7428 62.6379 176.8448 86 F 3.9162 8.3868 119.2821 60.3482 38.9308 177.1978 87 L 4.0986 8.3333 119.9603 58.0024 41.6982 178.7402 88 A 3.9201 8.1580 120.8709 55.2548 18.1022 179.1497 89 E 3.8412 7.6435 116.1512 58.7989 29.9086 177.6562 90 K 4.3109 7.7611 117.0459 56.5106 32.5711 178.4304 91 R 3.6483 7.6781 121.5530 59.6312 29.8153 178.4690 92 E 3.8307 7.8892 117.6362 59.2174 29.3951 179.1230 93 Q 4.0008 7.9888 117.9195 58.9244 28.7277 178.9095 94 V 3.6234 7.6220 119.0285 66.1947 31.6196 177.5141 95 Y 4.4293 8.2835 116.9008 61.3651 37.7257 178.7931 96 S 4.1757 8.4276 113.9055 61.3947 62.5362 176.3980 97 K 3.9999 7.9590 120.8140 59.2399 31.6621 178.8746 98 L 3.9832 8.3215 120.9935 58.8179 41.9387 179.1786 99 M 4.1007 8.2780 118.2918 58.1922 31.5516 178.5399 100 Q 3.9578 8.1891 120.0400 59.2090 29.1729 178.3509 101 L 4.1589 8.1075 119.9260 57.2025 41.3669 179.4646 102 I 3.8093 7.3035 119.2836 63.7815 37.5666 177.5215 103 L 4.4808 7.9063 116.4484 54.1052 41.8119 177.0593 104 G 3.9227 7.2312 109.9550 43.8167 0.0000 172.8715 105 P 4.4338 0.0000 0.0000 64.5697 31.4317 176.8100 106 Q 4.5847 7.2653 116.9676 53.0479 28.6556 172.8662 107 P 4.5444 0.0000 0.0000 62.5721 32.6561 176.7566 108 S 4.5910 8.7356 116.7120 56.8802 63.2099 175.3395 109 V 3.6923 8.4024 128.6168 64.7960 31.3240 178.4862 110 K 3.9459 8.0605 118.4975 59.2505 31.9586 178.9758 111 A 4.0744 8.2013 121.0583 55.4051 18.2501 179.6134 112 M 4.0697 8.1227 117.3440 58.3521 31.8882 178.5753 113 Q 4.0108 8.3549 119.9620 59.3610 29.1425 178.5992 114 L 3.9811 7.8824 119.5890 57.8615 41.2643 178.7492 115 Y 4.0290 8.2321 119.4527 61.1731 38.6732 178.2989 116 M 4.2309 8.4657 119.4812 58.6260 32.0701 178.8409 117 Q 3.9519 8.4423 118.4861 58.7922 28.6017 178.5210 118 R 3.6567 7.8941 119.3196 58.8904 29.9791 177.5748 119 F 4.5992 7.3090 113.7383 55.9567 39.4347 175.7369 120 G 3.9418 7.7321 106.3895 46.7966 0.0000 175.0930 121 L 4.3468 8.1933 119.6612 54.9138 42.4750 177.1968 122 L 4.6944 7.6780 118.4969 53.1528 43.3577 175.6546 123 T 4.5945 8.3577 118.9246 61.7450 70.8212 173.2301 124 D 4.8843 8.6398 125.5730 52.2898 42.7509 175.4407 125 K 4.5946 8.5620 124.9936 54.3089 34.2175 175.1566 126 K 4.5621 8.4857 124.4151 54.4582 35.1890 175.4859 127 V 4.2720 8.4037 122.8074 61.0986 32.8336 174.5942 128 I 4.5156 8.2629 127.8381 59.5607 39.1514 174.7434 129 E 4.7730 8.7567 122.9908 54.8820 33.9968 174.4977 130 G 3.9620 8.2555 104.7053 44.5603 0.0000 172.6573 131 D 4.6723 8.1807 121.2793 52.7304 42.0862 175.5741 132 L 4.2941 8.1270 118.6697 55.1656 42.7751 176.5254 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 14 M 8.16 4.46 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 15 A 8.01 3.90 1.34 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 0.00 0.00 16 K 8.70 4.28 0.00 1.83 1.81 0.00 2.02 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 17 L 7.91 4.21 0.00 1.83 1.93 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.84 4.34 0.00 2.97 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.52 4.09 0.00 2.15 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 2.32 2.35 0.00 20 L 7.93 4.14 0.00 1.94 1.79 0.99 0.61 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 21 K 8.29 3.28 0.00 1.84 1.76 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.07 1.43 7.81 22 Q 7.36 4.10 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 23 K 7.79 4.24 0.00 1.79 1.80 0.00 1.63 0.00 0.00 2.02 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.37 7.81 24 L 7.10 4.79 0.00 1.47 1.31 0.50 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.38 4.15 4.18 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 1.15 0.00 0.00 26 A 8.46 3.93 1.34 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 0.00 0.00 27 K 8.01 4.04 0.00 2.00 2.00 0.00 1.88 0.00 0.00 2.06 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.78 2.05 7.81 28 Q 7.84 3.63 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 29 I 7.95 3.75 2.03 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.57 1.18 0.00 0.00 30 Q 8.33 4.12 0.00 2.31 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 31 A 8.82 4.21 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 0.00 0.00 0.00 0.00 0.00 32 A 8.67 3.85 1.27 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 0.00 0.00 33 Y 8.23 3.87 0.00 3.29 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 34 L 8.40 4.01 0.00 1.96 1.93 0.97 0.84 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 35 L 8.15 4.00 0.00 1.88 1.70 1.22 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.53 3.18 1.52 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 0.33 0.00 0.00 0.62 0.00 0.00 37 E 8.13 3.73 0.00 2.15 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 0.00 2.58 2.42 0.00 38 N 8.09 4.26 0.00 2.85 2.97 0.00 0.00 7.20 7.26 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 39 E 7.36 4.40 0.00 1.87 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 2.34 2.41 0.00 40 L 8.03 4.67 0.00 1.54 1.76 0.88 0.85 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 41 M 8.02 4.59 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 42 E 8.68 3.91 0.00 2.14 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 2.31 2.26 0.00 *47 E 8.49 4.07 0.00 1.96 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 2.20 2.41 0.00 48 K 8.49 4.22 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.63 1.47 7.81 49 R 9.31 4.32 0.00 1.89 1.88 0.00 3.18 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 50 T 8.82 4.36 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 1.26 0.00 0.00 51 Q 8.52 4.02 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 52 D 8.07 4.35 0.00 2.69 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 53 E 8.25 4.01 0.00 2.29 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 2.36 0.00 54 M 8.31 4.08 0.00 2.12 2.14 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 2.74 2.59 0.00 55 A 8.27 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 4.24 0.00 3.00 2.88 0.00 0.00 6.62 7.04 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 57 E 8.08 3.96 0.00 2.09 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 0.00 2.37 2.39 0.00 58 L 8.14 4.31 0.00 1.85 1.80 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.08 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 60 I 7.75 4.56 1.60 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.58 0.96 0.00 0.00 61 N 8.14 4.50 0.00 2.63 2.68 0.00 0.00 6.41 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 62 R 8.56 3.87 0.00 1.82 1.89 0.00 3.15 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 63 T 7.72 3.83 4.12 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 0.00 0.00 1.07 0.00 0.00 64 T 7.54 3.46 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 0.14 0.00 0.00 65 L 7.18 3.43 0.00 1.54 1.71 0.97 1.02 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 66 W 8.20 4.06 0.00 3.46 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 67 E 8.54 4.13 0.00 2.18 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 0.00 2.43 2.54 0.00 68 W 8.06 4.23 0.00 2.85 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 0.00 0.00 0.00 69 R 8.05 4.22 0.00 1.68 1.96 0.00 3.22 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 70 T 7.61 4.33 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 0.56 0.00 0.00 71 K 8.33 4.38 0.00 1.93 1.92 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.80 7.81 72 N 7.82 4.73 0.00 2.80 3.00 0.00 0.00 7.03 7.03 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 73 Q 8.48 4.08 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 74 D 8.16 4.36 0.00 2.84 2.70 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 0.00 0.00 0.00 75 F 9.05 4.10 0.00 2.97 3.26 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 76 I 8.08 3.59 1.90 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 1.57 1.12 0.89 0.00 0.00 77 A 8.13 3.96 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 78 F 8.28 4.02 0.00 3.08 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 79 K 7.92 3.38 0.00 1.23 1.56 0.00 1.57 0.00 0.00 1.37 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.16 7.81 80 S 7.94 3.97 0.00 3.95 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 81 E 7.81 3.82 0.00 1.90 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 2.46 2.42 0.00 82 V 7.29 3.29 1.55 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 0.58 0.00 0.00 -0.48 0.00 0.00 83 A 7.88 3.86 1.27 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 0.00 0.00 84 D 8.09 4.28 0.00 2.84 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 85 S 8.04 4.09 0.00 4.08 3.87 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 86 F 8.39 3.92 0.00 3.02 3.12 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 0.00 0.00 0.00 87 L 8.33 4.10 0.00 1.86 1.81 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.16 3.92 1.34 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 0.00 0.00 89 E 7.64 3.84 0.00 1.83 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 2.24 2.38 0.00 90 K 7.76 4.31 0.00 1.98 1.78 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.54 7.81 91 R 7.68 3.65 0.00 1.78 1.62 0.00 2.87 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 92 E 7.89 3.83 0.00 2.04 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 2.41 2.48 0.00 93 Q 7.99 4.00 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 94 V 7.62 3.62 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 1.19 0.00 0.00 0.95 0.00 0.00 95 Y 8.28 4.43 0.00 3.21 2.99 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 96 S 8.43 4.18 0.00 3.95 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 97 K 7.96 4.00 0.00 1.99 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.62 7.81 98 L 8.32 3.98 0.00 1.83 1.94 1.04 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 99 M 8.28 4.10 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.90 0.00 100 Q 8.19 3.96 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 101 L 8.11 4.16 0.00 1.94 1.71 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.30 3.81 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.61 0.77 0.00 0.00 103 L 7.91 4.48 0.00 1.66 1.66 0.87 0.99 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 0.00 104 G 7.23 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 0.00 105 P 0.00 4.43 0.00 2.18 2.19 0.00 3.70 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 1.98 1.99 0.00 106 Q 7.27 4.58 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 107 P 0.00 4.54 0.00 2.15 2.20 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 108 S 8.74 4.59 0.00 3.87 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 0.00 109 V 8.40 3.69 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 0.76 0.00 0.00 0.94 0.00 0.00 110 K 8.06 3.95 0.00 1.88 1.92 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.58 7.81 111 A 8.20 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 M 8.12 4.07 0.00 2.11 2.28 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 2.79 2.48 0.00 113 Q 8.35 4.01 0.00 2.14 2.35 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 2.53 2.44 0.00 114 L 7.88 3.98 0.00 2.02 1.75 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.23 4.03 0.00 3.14 3.19 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 0.00 116 M 8.47 4.23 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.78 0.00 117 Q 8.44 3.95 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 118 R 7.89 3.66 0.00 1.56 1.63 0.00 3.01 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 119 F 7.31 4.60 0.00 2.89 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 0.00 120 G 7.73 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 0.00 121 L 8.19 4.35 0.00 1.77 1.77 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.68 4.69 0.00 1.63 1.59 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.36 4.59 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 1.21 0.00 0.00 124 D 8.64 4.88 0.00 2.64 2.58 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 0.00 125 K 8.56 4.59 0.00 1.68 1.67 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.42 7.81 126 K 8.49 4.56 0.00 1.73 1.65 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.32 7.81 127 V 8.40 4.27 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 0.83 0.00 0.00 0.93 0.00 0.00 128 I 8.26 4.52 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 1.41 0.76 0.91 0.00 0.00 129 E 8.76 4.77 0.00 1.89 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 2.20 2.27 0.00 130 G 8.26 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 0.00 131 D 8.18 4.67 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.13 4.29 0.00 1.57 1.52 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.