NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 4.3377 8.2548 107.8369 45.7602 0.0000 173.4800 6 S 4.1679 8.5420 116.5032 58.3298 63.9639 171.9653 7 Q 5.0415 8.6924 121.8066 54.2474 32.7664 174.4970 8 F 4.8801 9.0948 120.0132 55.4947 43.8319 173.6654 9 W 5.0443 9.1030 132.8480 56.9472 31.0845 175.6215 10 V 4.6399 9.1126 121.1097 59.8147 35.9305 174.6078 11 T 5.0803 8.2077 118.7522 61.6929 71.1347 173.8127 12 S 4.6160 9.4372 122.7659 58.2072 63.0475 173.0508 13 Q 4.6459 8.4869 125.9363 53.6322 30.5674 175.4344 14 K 3.6377 8.6997 123.2457 57.5699 32.6210 176.0993 15 T 4.5630 8.3283 115.3399 58.7553 73.2686 174.3335 16 E 3.7613 8.5837 122.0164 59.6216 29.6081 178.9848 17 A 3.8971 7.5741 120.2253 55.1538 18.4202 179.6092 18 S 4.1310 7.3921 112.5118 61.0542 63.0047 176.4574 19 E 3.8596 8.0637 123.4441 59.1432 29.2074 178.5415 20 R 3.9391 8.1691 117.9005 59.5427 30.1494 177.3170 21 C 4.6773 8.0901 113.8287 58.7430 28.1999 173.5154 22 G 4.1423 7.9965 107.6845 46.2516 0.0000 174.1430 23 L 4.4054 8.3365 118.9692 54.4264 42.2684 176.8038 24 Q 4.5697 9.5553 122.3516 56.3866 33.2330 175.4072 25 G 3.8816 8.9018 111.7241 45.4432 0.0000 171.7817 26 S 4.9796 8.0637 117.1458 57.6154 64.9258 173.1487 27 Y 4.5808 8.9040 120.4112 57.0721 43.4819 173.4101 28 I 4.9898 8.4508 120.4731 59.9036 39.4343 174.8730 29 L 5.0075 8.9297 129.8841 53.3189 44.1852 174.7906 30 R 5.1234 9.0580 126.9254 54.5541 33.0994 174.3629 31 V 4.2935 8.8931 127.1955 62.3120 32.6601 174.8513 32 E 5.1312 8.6721 129.9951 54.5558 32.1146 175.4546 33 A 4.2425 8.5944 121.4148 55.4106 18.6983 178.2590 34 E 5.0353 7.8593 110.2123 54.0466 31.8273 175.2328 35 K 3.7492 6.9219 117.5647 56.4283 35.7291 173.4127 36 L 5.1036 7.8199 120.8119 53.5022 44.0429 175.8947 37 T 5.0874 8.9132 119.4794 61.6826 72.1127 172.5806 38 L 5.1136 8.5793 127.4621 53.4672 44.4485 175.1918 39 L 5.2756 9.1883 125.3950 53.5449 45.9227 175.3965 40 T 5.0956 8.6691 116.0674 61.6835 73.6696 173.3640 41 L 4.4743 8.5782 123.4833 54.6945 42.4291 177.6459 42 G 4.0936 9.7291 111.8245 44.9844 0.0000 174.6695 43 A 4.0774 8.7859 126.9981 54.8150 18.5872 178.4693 44 Q 4.2301 7.7565 115.8251 58.3239 29.7099 176.9556 45 S 4.1265 7.9992 112.2238 59.4893 63.1369 174.5297 46 Q 3.7909 8.0556 120.1436 56.6889 27.8712 172.3275 47 I 4.8278 7.0276 107.4881 58.0257 41.8021 174.1155 48 L 4.7481 8.5046 122.8978 54.9396 41.5822 176.6828 49 E 4.8060 9.3083 120.9073 53.6775 33.4259 173.1077 50 P 4.3512 0.0000 0.0000 63.3411 31.4794 175.4219 51 L 4.4499 9.2556 126.1250 56.1024 44.2136 176.5907 52 L 4.1155 7.0434 116.3335 52.8046 46.1365 175.0804 53 F 5.2136 7.7427 120.2448 55.7047 41.7954 175.8337 54 W 4.9697 8.6814 121.7140 53.6019 31.0201 171.6355 55 P 4.2568 0.0000 0.0000 62.9387 31.6443 176.3138 56 Y 4.4150 8.2685 123.2456 61.6951 37.9410 178.9587 57 T 4.1218 8.0993 106.2087 63.3274 68.9220 174.1945 58 L 4.7083 8.4182 122.0896 54.5237 42.6319 175.5305 59 L 5.1131 8.0777 119.6758 53.5561 43.0557 177.0231 60 R 4.3693 9.1100 122.7589 58.9384 30.8314 176.7725 61 R 4.6028 7.8621 112.7807 56.1911 31.9649 173.0317 62 Y 5.3061 8.1155 116.8069 56.5178 41.3243 173.9765 63 G 4.3456 9.0629 107.2748 47.0020 0.0000 171.8341 64 R 4.8129 8.1704 114.5668 56.0065 31.4360 172.8137 65 D 4.6270 8.1427 116.7626 52.3146 41.8890 175.1411 66 K 4.2126 8.6243 117.0161 58.0689 32.0501 177.7277 67 V 4.1756 8.9914 118.7537 62.6064 33.4457 174.4073 *69 F 4.9362 7.7012 121.2789 58.7337 40.7984 173.3602 70 S 4.9112 7.8441 118.5720 57.2079 66.3213 172.5467 71 F 5.1983 8.1568 119.2711 55.7371 42.1068 172.6727 72 E 5.1175 9.4562 120.7530 54.1543 31.4726 174.8347 73 A 4.6059 9.3965 130.7964 52.1270 20.1144 177.4256 74 G 4.1992 8.9897 109.5883 45.0757 0.0000 174.8790 75 R 4.0942 8.9262 118.3122 59.6717 29.8522 178.8066 76 R 4.1882 7.9442 112.6898 57.5819 30.4881 176.8292 77 C 4.4742 8.0670 117.3330 58.7555 28.7632 172.9025 78 P 4.4091 0.0000 0.0000 65.6479 30.9877 177.7796 79 S 4.2667 8.0150 110.7646 59.0134 63.6078 174.9876 80 G 4.1054 8.3831 106.8972 44.2514 0.0000 171.2085 81 P 4.6868 0.0000 0.0000 62.7285 32.0380 174.8840 82 G 4.0505 8.1673 105.1561 43.6024 0.0000 172.6966 83 T 4.6627 7.7886 116.5689 62.4776 69.7672 174.8147 84 F 4.0859 8.4524 124.2532 55.5740 42.2466 174.3389 85 T 4.7972 7.6079 118.9436 61.6050 72.3142 172.7470 86 F 5.3545 9.4627 124.5762 55.5024 42.1759 174.9092 87 Q 4.4054 9.6042 125.4904 55.8643 30.1456 174.8439 88 T 4.5961 8.0674 123.5248 62.3376 70.9636 172.4966 89 S 4.8162 8.9283 120.6589 59.0214 63.9193 174.8069 90 Q 4.7854 8.0727 120.7418 55.8501 29.5547 177.6915 91 G 3.8766 8.2498 109.1528 48.3773 0.0000 175.4813 92 N 4.4197 8.2501 118.5551 56.2094 38.5965 177.1014 93 D 4.4253 8.0381 119.6390 57.4485 40.9996 178.7790 94 I 2.9796 7.3040 120.3168 63.8834 36.9263 178.2340 95 F 4.2086 8.4018 121.7004 61.3286 39.1619 177.1990 96 Q 4.0608 8.7215 117.8716 59.1189 28.7326 178.7610 97 A 3.9631 8.0090 121.6943 54.9841 18.3710 179.9243 98 V 3.2248 7.7106 117.0398 65.7651 31.4871 177.9120 99 E 3.6761 7.7993 118.8351 59.2520 29.4196 178.7608 100 A 3.9776 8.1473 120.6473 54.7603 18.3636 179.4929 101 A 3.8920 7.7211 119.1719 55.3561 18.3903 179.9602 102 I 3.5173 7.2645 118.4356 64.3046 37.1043 178.7010 103 Q 4.0413 7.9117 118.4374 59.5054 28.3939 178.2663 104 Q 3.9578 8.1562 120.8704 58.5812 28.5143 179.1423 105 Q 3.9411 8.4561 120.4966 59.3126 28.9664 178.4914 106 K 3.8821 8.6807 118.8388 58.9497 32.3475 178.9568 107 A 4.2281 8.2545 121.9351 52.0733 18.4330 179.6986 108 Q 3.5777 8.3292 122.1335 57.6898 30.0159 173.1072 109 G 4.7316 7.8344 107.2955 46.5249 0.0000 173.4134 110 K 4.0587 8.0343 123.5886 56.2821 32.7385 174.9725 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 5 G 8.25 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 0.00 0.00 0.00 0.00 6 S 8.54 4.17 0.00 4.01 3.47 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 7 Q 8.69 5.04 0.00 1.73 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 8 F 9.09 4.88 0.00 2.94 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 9 W 9.10 5.04 0.00 3.46 3.07 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 10 V 9.11 4.64 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 0.83 0.00 0.00 0.69 0.00 0.00 11 T 8.21 5.08 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 12 S 9.44 4.62 0.00 4.06 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 13 Q 8.49 4.65 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.49 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 14 K 8.70 3.64 0.00 1.67 1.73 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.35 1.48 7.81 15 T 8.33 4.56 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 0.96 0.00 0.00 16 E 8.58 3.76 0.00 1.95 1.88 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 2.32 2.34 0.00 17 A 7.57 3.90 0.61 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 0.00 0.00 18 S 7.39 4.13 0.00 3.97 3.71 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 19 E 8.06 3.86 0.00 2.23 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 2.26 2.33 0.00 20 R 8.17 3.94 0.00 1.86 2.15 0.00 3.34 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 21 C 8.09 4.68 0.00 3.26 3.07 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 22 G 8.00 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.34 4.41 0.00 1.77 1.67 1.22 0.72 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 24 Q 9.56 4.57 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 25 G 8.90 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 26 S 8.06 4.98 0.00 3.34 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.90 4.58 0.00 2.73 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 28 I 8.45 4.99 1.97 0.00 0.00 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 1.35 1.09 0.99 0.00 0.00 29 L 8.93 5.01 0.00 1.46 1.46 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 R 9.06 5.12 0.00 1.91 1.77 0.00 3.40 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 31 V 8.89 4.29 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 0.96 0.00 0.00 0.89 0.00 0.00 32 E 8.67 5.13 0.00 1.98 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 2.24 2.21 0.00 33 A 8.59 4.24 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 5.04 0.00 1.89 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 0.00 2.15 2.09 0.00 35 K 6.92 3.75 0.00 1.61 1.52 0.00 1.33 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.12 7.81 36 L 7.82 5.10 0.00 1.72 1.73 0.44 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.91 5.09 4.31 0.00 0.00 0.00 0.00 0.00 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 38 L 8.58 5.11 0.00 1.93 1.32 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.19 5.28 0.00 1.67 1.62 1.03 0.50 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 40 T 8.67 5.10 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 41 L 8.58 4.47 0.00 1.56 1.63 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.73 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 43 A 8.79 4.08 1.30 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 0.00 0.00 0.00 44 Q 7.76 4.23 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 45 S 8.00 4.13 0.00 4.04 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 0.00 46 Q 8.06 3.79 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 47 I 7.03 4.83 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 1.23 0.80 0.94 0.00 0.00 48 L 8.50 4.75 0.00 1.56 1.68 0.99 0.87 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 49 E 9.31 4.81 0.00 1.94 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 2.40 2.36 0.00 50 P 0.00 4.35 0.00 1.66 1.75 0.00 3.60 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 2.11 2.14 0.00 51 L 9.26 4.45 0.00 1.49 1.66 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.04 4.12 0.00 0.54 0.13 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.74 5.21 0.00 2.72 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 54 W 8.68 4.97 0.00 3.13 2.78 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 55 P 0.00 4.26 0.00 2.06 1.91 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 56 Y 8.27 4.42 0.00 3.06 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 57 T 8.10 4.12 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 1.27 0.00 0.00 58 L 8.42 4.71 0.00 1.87 1.77 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.08 5.11 0.00 1.81 1.78 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.11 4.37 0.00 1.80 2.03 0.00 3.34 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 61 R 7.86 4.60 0.00 1.77 1.97 0.00 2.94 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 62 Y 8.12 5.31 0.00 2.99 3.04 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 0.00 0.00 0.00 63 G 9.06 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 64 R 8.17 4.81 0.00 2.00 2.24 0.00 2.82 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 65 D 8.14 4.63 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.62 4.21 0.00 1.78 1.92 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.43 7.81 67 V 8.99 4.18 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 1.11 0.00 0.00 0.95 0.00 0.00 *69 F 7.70 4.94 0.00 3.31 3.13 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 70 S 7.84 4.91 0.00 3.71 3.43 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 71 F 8.16 5.20 0.00 3.28 3.05 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 72 E 9.46 5.12 0.00 2.02 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 2.23 2.20 0.00 73 A 9.40 4.61 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.93 4.09 0.00 1.86 2.08 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 76 R 7.94 4.19 0.00 1.85 2.02 0.00 3.24 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 77 C 8.07 4.47 0.00 3.39 3.11 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 78 P 0.00 4.41 0.00 1.85 2.07 0.00 3.81 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 2.11 2.10 0.00 79 S 8.02 4.27 0.00 4.45 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 80 G 8.38 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 0.00 0.00 0.00 81 P 0.00 4.69 0.00 2.25 2.22 0.00 3.83 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 2.04 2.01 0.00 82 G 8.17 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 0.00 0.00 0.00 83 T 7.79 4.66 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 0.94 0.00 0.00 84 F 8.45 4.09 0.00 1.51 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 0.00 0.00 0.00 0.00 85 T 7.61 4.80 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 1.10 0.00 0.00 86 F 9.46 5.35 0.00 2.93 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 87 Q 9.60 4.41 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 88 T 8.07 4.60 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 1.40 0.00 0.00 89 S 8.93 4.82 0.00 4.07 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 90 Q 8.07 4.79 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 91 G 8.25 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 92 N 8.25 4.42 0.00 2.82 2.94 0.00 0.00 7.09 8.08 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 93 D 8.04 4.43 0.00 2.87 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 94 I 7.30 2.98 0.96 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.33 -0.26 0.00 0.00 95 F 8.40 4.21 0.00 3.49 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 96 Q 8.72 4.06 0.00 2.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 97 A 8.01 3.96 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 98 V 7.71 3.22 1.49 0.00 0.00 0.00 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 0.70 0.00 0.00 99 E 7.80 3.68 0.00 1.77 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 2.25 2.24 0.00 100 A 8.15 3.98 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 0.00 101 A 7.72 3.89 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 0.00 102 I 7.26 3.52 1.78 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.07 0.86 0.00 0.00 103 Q 7.91 4.04 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 104 Q 8.16 3.96 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 105 Q 8.46 3.94 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 106 K 8.68 3.88 0.00 1.81 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.65 7.81 107 A 8.25 4.23 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 0.00 108 Q 8.33 3.58 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 109 G 7.83 4.73 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 0.00 0.00 0.00 110 K 8.03 4.06 0.00 1.78 2.02 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.23 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.