NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3863 8.1227 122.4610 51.8722 20.6689 174.8841 4 V 4.5380 8.3970 120.7031 59.5971 33.3617 173.2904 5 T 4.7985 9.8065 119.1527 60.0431 72.1101 172.4154 6 Q 5.3068 8.8061 122.7539 54.4512 32.0088 174.9427 7 S 4.7035 9.2991 116.5821 56.3917 66.0000 172.4005 8 P 4.9293 0.0000 0.0000 61.8084 33.2503 175.7246 9 R 4.2867 8.4533 115.9496 58.3792 31.1111 176.8065 10 N 5.5480 7.7976 113.5354 51.5119 42.6506 174.4421 11 K 4.3132 8.5796 120.4397 55.7565 36.3466 174.0197 12 V 4.9118 8.5747 127.4717 61.2946 33.3789 174.3222 13 A 4.9726 8.8610 127.9190 50.4509 23.3701 174.7867 14 V 4.8837 8.4680 111.5342 58.6774 34.6518 176.3385 15 T 4.1632 8.4356 119.8059 65.7151 68.6388 174.9160 16 G 4.1031 9.3999 115.1884 44.4221 0.0000 173.3215 17 E 4.1183 7.9904 121.4079 55.8459 31.1207 175.4533 18 K 5.0916 8.4095 126.8456 54.8720 33.0097 175.7095 19 V 4.4375 8.9516 128.0634 61.2876 34.5391 174.2820 20 T 5.0763 8.3170 122.9186 61.7568 71.5730 172.9968 21 L 4.7023 8.7709 126.6885 53.1475 44.1709 175.7318 22 S 5.2442 9.5420 120.0133 57.0534 66.1691 172.3802 23 C 5.5354 8.8473 120.9400 55.0240 47.3084 172.1810 24 N 5.8703 9.3516 123.9937 51.8748 42.1306 172.8366 25 Q 4.9976 9.2539 123.4709 54.2793 32.2161 175.7097 26 T 4.4446 7.9431 112.4762 61.6520 69.1795 175.0756 27 N 4.2924 8.2505 119.5803 54.0978 39.0398 174.7420 28 N 4.1941 7.9757 115.0955 54.7630 37.1623 173.2731 29 H 4.7662 8.1135 113.1017 54.9859 29.7207 175.7780 30 N 4.5776 8.8092 120.8533 55.6293 39.2501 175.1512 31 N 5.6199 8.1868 115.8990 51.4683 40.9934 174.5223 32 M 5.1469 7.7537 120.4529 54.0831 36.9062 173.6550 33 Y 5.5888 9.4609 118.7803 56.3430 43.3955 174.2345 34 W 5.4426 9.8163 121.2937 55.5113 32.4213 174.3864 35 Y 5.5141 10.0725 122.7779 56.1360 41.5698 174.8944 36 R 4.9670 8.8189 116.9529 54.4351 33.1752 174.1575 37 Q 5.2364 8.9407 121.6851 54.6261 32.0682 173.9019 38 D 4.9907 8.8681 124.7735 52.5752 45.8930 175.2151 39 T 3.9639 8.6010 118.8165 65.4840 68.9012 174.1638 40 G 4.0450 9.0948 114.3385 45.4125 0.0000 173.6408 41 H 4.6962 8.0685 114.5182 54.5664 31.5768 177.0606 42 G 3.7427 7.8521 107.7831 46.4322 0.0000 172.5132 43 L 5.0931 8.3438 123.2145 53.2871 43.5426 175.8684 44 R 4.7980 8.8163 121.2466 54.0713 33.9503 174.4735 45 L 3.5411 8.6082 126.3603 55.4480 42.8464 176.5280 46 I 4.0390 8.9145 127.4961 63.1136 38.7908 175.2104 47 Y 5.4841 7.8461 117.5759 57.2927 42.6822 172.9668 48 Y 5.3912 9.2305 119.3221 56.2114 42.4727 173.3789 49 S 4.2817 8.3687 113.6914 56.8466 65.6796 174.0008 50 Y 4.8623 7.7204 122.2009 57.0124 38.3726 175.6285 51 G 3.9870 7.4040 110.7513 44.4798 0.0000 171.6580 52 A 4.1594 8.1557 122.1281 54.1451 18.3426 178.1980 53 G 3.9677 9.5173 112.4531 44.8457 0.0000 173.2019 54 S 4.7392 7.8298 114.5327 57.1732 64.0306 173.6114 55 T 4.5330 8.2157 120.1252 60.8081 70.0444 172.3667 56 E 4.6383 9.1585 128.7203 54.0355 32.5025 175.9097 57 K 3.2732 8.6744 123.5465 55.8710 32.6181 177.6908 58 G 4.1538 8.1727 115.8096 47.0427 0.0000 175.0345 59 D 4.7561 9.0392 122.5244 54.9730 41.7111 177.3047 60 I 4.6864 7.0812 110.3950 58.6672 37.1928 173.2834 61 P 4.3554 0.0000 0.0000 65.8064 32.1872 177.7663 62 D 4.2818 8.1858 118.1125 56.3660 41.2307 177.1031 63 G 3.5731 8.7757 111.4923 45.7822 0.0000 172.0129 *65 Y 5.2670 7.2544 115.5027 58.2916 39.4503 174.1067 66 K 4.4389 8.4256 119.5134 55.3301 36.0501 174.3953 67 A 4.8447 7.5586 125.8552 50.4640 22.9246 175.3551 68 S 4.5681 8.6399 113.8090 57.0420 67.7924 173.8467 69 R 5.5546 8.5152 123.9474 53.9010 29.2353 173.9170 70 P 4.5109 0.0000 0.0000 64.1631 32.1008 176.7073 71 S 4.5521 7.4022 111.7095 57.5663 65.3968 175.0388 72 Q 4.1345 8.7984 119.3151 59.4095 28.6300 178.3035 73 E 4.4439 8.2027 116.6780 58.0934 30.5837 176.5753 74 N 5.6011 7.7116 114.1509 51.6709 41.2569 175.2140 75 F 5.3588 9.1889 125.0645 57.7010 42.7664 173.2345 76 S 5.1580 9.1068 121.5837 56.6103 66.2285 172.7005 77 L 4.6187 8.1754 122.7742 53.3286 44.9150 175.1351 78 T 4.8106 9.2072 123.3120 61.7039 72.1902 173.0436 79 L 4.2456 9.2133 127.8278 52.9650 42.5688 176.9706 80 E 3.7546 8.7761 125.7434 58.7603 29.8405 176.2814 81 S 4.7017 7.4889 115.2679 55.1471 63.5639 171.2178 82 A 5.0241 9.1156 126.3668 51.7818 19.3681 176.4092 83 T 4.8097 8.4809 110.9049 58.9978 72.1920 173.1656 84 P 4.2651 0.0000 0.0000 65.8530 31.5378 178.9162 85 S 4.1285 8.0462 111.2423 60.9443 63.0980 174.8164 86 Q 4.4865 8.3758 119.5681 56.4388 28.7356 175.3442 87 T 4.5073 8.0600 117.0170 64.0409 69.0292 174.0857 88 S 4.5301 8.3727 119.7408 58.4003 68.4242 174.4334 89 V 4.7345 7.2759 118.4865 61.5596 33.5883 174.7027 90 Y 5.1257 9.2356 126.6352 56.8417 40.0200 174.7352 91 F 5.4689 9.9339 122.4912 55.9290 42.6543 173.3351 92 C 4.9368 10.0292 123.0795 54.8014 44.9645 172.2885 93 A 5.2612 8.7145 125.5609 50.2693 22.6186 175.0390 94 S 5.3416 8.8591 113.9903 56.9614 66.8798 173.1370 95 G 5.0397 9.1349 106.6158 45.5473 0.0000 172.8538 96 D 4.5478 8.6502 119.2833 52.3953 39.4801 176.0196 97 A 4.5554 8.4428 119.2409 52.3857 16.1999 177.4568 98 S 4.6808 7.9733 113.6045 58.5794 64.2709 173.7628 99 G 3.7604 8.3669 113.0092 45.1820 0.0000 172.7197 100 A 3.5687 8.4721 125.6094 52.7624 16.4746 176.8229 *104 E 4.1880 7.8447 115.6656 57.6990 30.8961 174.8562 105 T 4.4715 8.1818 109.8016 60.7635 70.3745 173.8239 106 L 4.6611 7.8732 122.8548 53.4154 44.0089 175.5837 107 Y 4.4020 8.6562 120.8603 56.3713 39.7470 175.2819 108 F 5.0504 8.9361 123.3159 56.7542 40.8118 176.0574 109 G 4.2642 9.2812 109.8550 44.5282 0.0000 172.7295 110 P 4.6234 0.0000 0.0000 63.3106 31.6072 177.6296 111 G 3.3216 8.2585 103.5400 45.7158 0.0000 173.1231 112 T 4.6968 8.3988 115.3843 61.4975 72.3623 173.4961 113 R 4.5494 9.1203 129.0039 55.5959 31.2661 174.6801 114 L 5.2758 9.2042 129.7623 53.5874 44.9419 175.0135 115 T 4.7919 8.7444 122.6390 61.7951 71.7840 173.1203 116 V 4.5773 8.9816 128.0318 61.5816 32.2107 175.6844 117 L 4.4093 8.8842 128.2776 54.7819 41.8989 176.7654 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 A 8.12 4.39 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 4 V 8.40 4.54 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.05 0.00 0.00 5 T 9.81 4.80 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 1.24 0.00 0.00 6 Q 8.81 5.31 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 7 S 9.30 4.70 0.00 3.85 3.69 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 8 P 0.00 4.93 0.00 2.37 2.07 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 9 R 8.45 4.29 0.00 1.78 2.03 0.00 3.27 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 10 N 7.80 5.55 0.00 2.56 2.68 0.00 0.00 6.63 7.61 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 11 K 8.58 4.31 0.00 1.86 1.59 0.00 1.47 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.37 7.81 12 V 8.57 4.91 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 0.84 0.00 0.00 0.94 0.00 0.00 13 A 8.86 4.97 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.47 4.88 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 0.92 0.00 0.00 0.97 0.00 0.00 15 T 8.44 4.16 4.23 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 1.27 0.00 0.00 16 G 9.40 4.10 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 0.00 0.00 0.00 17 E 7.99 4.12 0.00 2.15 1.81 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 2.26 2.22 0.00 18 K 8.41 5.09 0.00 1.75 1.66 0.00 1.62 0.00 0.00 2.61 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.20 7.81 19 V 8.95 4.44 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 0.79 0.00 0.00 0.90 0.00 0.00 20 T 8.32 5.08 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 1.10 0.00 0.00 21 L 8.77 4.70 0.00 0.78 1.13 0.63 -0.05 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 22 S 9.54 5.24 0.00 3.84 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 23 C 8.85 5.54 0.00 3.03 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 9.35 5.87 0.00 2.88 2.62 0.00 0.00 6.42 7.13 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 25 Q 9.25 5.00 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 26 T 7.94 4.44 4.21 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 0.00 0.00 0.00 1.21 0.00 0.00 27 N 8.25 4.29 0.00 2.54 2.13 0.00 0.00 7.09 8.00 0.00 0.00 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 N 7.98 4.19 0.00 2.80 2.86 0.00 0.00 7.04 7.89 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 29 H 8.11 4.77 0.00 3.33 3.41 0.00 5.71 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 30 N 8.81 4.58 0.00 2.64 3.04 0.00 0.00 6.95 8.00 0.00 0.00 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 N 8.19 5.62 0.00 3.13 2.60 0.00 0.00 6.60 7.71 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 32 M 7.75 5.15 0.00 1.91 1.34 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 33 Y 9.46 5.59 0.00 2.99 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 34 W 9.82 5.44 0.00 3.45 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 35 Y 10.07 5.51 0.00 3.16 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 36 R 8.82 4.97 0.00 1.34 1.54 0.00 2.72 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 37 Q 8.94 5.24 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 38 D 8.87 4.99 0.00 2.67 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 39 T 8.60 3.96 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 40 G 9.09 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 41 H 8.07 4.70 0.00 3.29 3.35 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.85 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.34 5.09 0.00 1.51 1.56 0.26 0.56 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 44 R 8.82 4.80 0.00 1.77 1.81 0.00 3.17 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 45 L 8.61 3.54 0.00 1.30 1.52 0.48 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.91 4.04 2.01 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.69 0.57 0.00 0.00 47 Y 7.85 5.48 0.00 3.05 3.02 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 48 Y 9.23 5.39 0.00 2.33 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 49 S 8.37 4.28 0.00 3.20 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 50 Y 7.72 4.86 0.00 2.94 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 51 G 7.40 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 0.00 0.00 0.00 52 A 8.16 4.16 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 53 G 9.52 3.97 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 0.00 0.00 0.00 54 S 7.83 4.74 0.00 3.85 3.91 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 55 T 8.22 4.53 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 1.25 0.00 0.00 56 E 9.16 4.64 0.00 1.16 1.15 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 1.47 1.47 0.00 57 K 8.67 3.27 0.00 1.52 1.45 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.10 1.43 7.81 58 G 8.17 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 0.00 0.00 0.00 0.00 59 D 9.04 4.76 0.00 2.54 2.73 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 60 I 7.08 4.69 1.94 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 1.58 0.62 0.93 0.00 0.00 61 P 0.00 4.36 0.00 2.07 1.70 0.00 3.78 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 1.97 1.87 0.00 62 D 8.19 4.28 0.00 2.76 2.73 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 63 G 8.78 3.57 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 0.00 0.00 0.00 *65 Y 7.25 5.27 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.44 0.00 1.77 1.48 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.18 1.25 7.81 67 A 7.56 4.84 0.72 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 0.00 0.00 68 S 8.64 4.57 0.00 3.77 3.72 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 69 R 8.52 5.55 0.00 1.84 1.82 0.00 3.58 0.00 0.00 2.93 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 70 P 0.00 4.51 0.00 2.24 2.19 0.00 4.19 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 71 S 7.40 4.55 0.00 3.96 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 72 Q 8.80 4.13 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 73 E 8.20 4.44 0.00 1.94 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 0.00 2.53 2.19 0.00 74 N 7.71 5.60 0.00 2.71 2.80 0.00 0.00 6.74 7.33 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 75 F 9.19 5.36 0.00 3.03 2.95 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 76 S 9.11 5.16 0.00 3.93 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 77 L 8.18 4.62 0.00 0.27 0.13 0.68 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.21 4.81 4.10 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 1.10 0.00 0.00 79 L 9.21 4.25 0.00 1.34 1.42 0.72 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.78 3.75 0.00 1.97 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 2.33 2.32 0.00 81 S 7.49 4.70 0.00 3.83 3.60 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 82 A 9.12 5.02 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 83 T 8.48 4.81 4.22 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 1.19 0.00 0.00 84 P 0.00 4.27 0.00 2.20 2.17 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 85 S 8.05 4.13 0.00 4.00 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 86 Q 8.38 4.49 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 87 T 8.06 4.51 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 1.25 0.00 0.00 88 S 8.37 4.53 0.00 3.85 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 89 V 7.28 4.73 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 90 Y 9.24 5.13 0.00 3.09 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 91 F 9.93 5.47 0.00 3.13 3.25 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 92 C 10.03 4.94 0.00 1.28 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 93 A 8.71 5.26 0.25 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 94 S 8.86 5.34 0.00 4.01 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 95 G 9.13 5.04 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 0.00 0.00 0.00 96 D 8.65 4.55 0.00 2.82 2.73 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 97 A 8.44 4.56 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 98 S 7.97 4.68 0.00 4.03 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 99 G 8.37 3.76 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 0.00 0.00 0.00 100 A 8.47 3.57 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 *104 E 7.84 4.19 0.00 2.31 2.50 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 2.30 2.32 0.00 105 T 8.18 4.47 4.07 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 1.20 0.00 0.00 106 L 7.87 4.66 0.00 1.18 0.84 0.45 0.28 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 0.00 107 Y 8.66 4.40 0.00 2.97 2.95 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 0.00 108 F 8.94 5.05 0.00 2.86 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 0.00 109 G 9.28 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 0.00 0.00 0.00 0.00 110 P 0.00 4.62 0.00 2.28 2.27 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 111 G 8.26 3.32 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 0.00 112 T 8.40 4.70 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 1.32 0.00 0.00 113 R 9.12 4.55 0.00 1.88 2.00 0.00 3.06 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 114 L 9.20 5.28 0.00 1.82 1.77 0.94 0.49 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 0.00 115 T 8.74 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 0.00 116 V 8.98 4.58 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 0.75 0.00 0.00 0.95 0.00 0.00 117 L 8.88 4.41 0.00 1.59 1.52 0.92 0.69 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 * Residues marked with a * may have inaccurate shift predictions.