NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2559 8.4444 120.2304 55.6565 30.9023 175.0591 6 Q 3.7264 8.6993 123.4205 55.9075 29.2427 174.9077 7 I 3.9312 9.1016 127.4831 63.7280 39.4215 175.7132 8 L 4.3990 7.7825 118.5861 54.6158 42.6291 176.8313 9 V 4.3172 8.9593 121.9471 61.3051 33.2344 174.3269 10 L 5.1704 8.4427 127.3093 52.9397 44.6269 174.6323 11 D 5.0929 8.7184 123.5886 51.5402 43.5066 173.6531 12 P 4.6641 0.0000 0.0000 61.8536 32.1449 174.9014 13 P 4.4599 0.0000 0.0000 64.7765 31.8347 176.9503 14 S 4.7572 7.7152 109.3684 58.3848 67.9743 173.5108 15 D 5.2801 8.0430 119.8783 52.4903 44.4064 174.7617 16 L 4.4891 9.0706 123.9740 53.0644 43.5764 175.5786 17 K 5.0540 8.4121 123.9017 55.2141 33.8603 176.1545 18 F 4.9170 10.2954 124.4184 55.6301 41.7894 174.2393 19 K 4.7636 8.8245 125.9482 54.7946 32.8817 176.3333 20 G 2.5706 7.7250 115.4311 44.3038 0.0000 170.2665 21 P 4.1558 0.0000 0.0000 62.1529 32.5416 176.0238 22 F 4.8588 8.0594 115.3915 57.4849 39.9758 177.1110 23 T 4.1076 7.9967 111.2547 62.8558 69.2117 173.1006 24 D 5.0400 7.4988 120.3905 51.6663 44.9318 175.0923 25 V 3.9907 8.4339 121.3040 63.2185 32.3664 175.0416 26 V 4.4850 8.8108 127.5111 61.5444 33.8133 174.0872 27 T 5.3405 8.7075 124.3146 62.3252 70.6471 173.9957 28 T 4.6335 9.0546 121.5199 61.7667 72.6674 172.4617 29 N 5.2757 8.5410 120.7195 51.4438 41.2675 173.9741 30 L 4.6398 8.6385 125.1863 53.1979 44.7236 175.1571 31 K 4.5821 9.0564 127.3781 55.5858 33.8142 175.9621 32 L 4.8963 9.0880 125.6917 53.1437 44.0052 174.9903 33 Q 4.8120 9.1684 126.6223 54.4117 31.6330 174.0810 34 N 5.1891 9.0676 126.5902 51.5097 38.8963 173.2766 35 P 4.4968 0.0000 0.0000 63.4210 31.9823 176.8494 36 S 4.6421 8.1539 114.8530 57.2792 64.6904 173.3994 37 D 4.7744 8.4513 117.4689 53.4118 39.3280 176.0450 38 R 4.8073 7.5147 117.7920 54.2429 34.0651 175.4678 39 K 4.4302 8.7042 120.7902 56.7288 33.7965 176.0035 40 V 4.7937 8.9224 123.4637 61.4262 34.4632 174.4213 41 C 5.1628 9.0385 126.1511 59.2057 29.9660 172.6984 42 F 5.8674 8.9794 116.1182 55.4837 41.5665 173.2930 43 K 4.9402 9.2982 120.9679 54.9071 35.8012 174.7523 44 V 4.9685 8.7618 126.9693 61.3386 33.2660 174.9117 45 K 4.7663 9.1186 125.9444 55.1006 36.4923 174.9265 46 T 4.6703 7.8932 115.0154 60.8139 69.8952 173.7557 47 T 4.0493 8.2771 116.1256 62.5106 69.8039 174.7482 48 A 4.6834 7.4131 125.0197 49.5424 18.6893 174.7193 49 P 4.2881 0.0000 0.0000 65.2131 31.8969 179.7135 50 R 3.8502 7.9030 116.1360 58.0542 30.3956 177.1731 51 R 4.1612 7.9486 116.0832 56.5254 30.7473 175.1973 52 Y 5.4157 7.3163 114.0194 56.5411 42.6040 174.1492 53 C 4.9778 9.1546 119.0108 58.1161 31.0792 173.1837 54 V 5.0208 8.5062 122.3240 61.2496 34.1022 174.8706 55 R 4.7556 9.0987 126.4973 53.9135 33.7859 173.0226 56 P 4.9307 0.0000 0.0000 62.7021 32.4423 176.0584 57 N 5.0034 8.8502 117.7251 53.3621 38.6788 174.2025 58 S 4.4432 6.9136 112.4891 57.2033 65.7837 174.7124 59 G 3.6299 6.0390 106.0685 45.9295 0.0000 171.2385 60 V 4.9214 8.0248 118.1869 61.2641 35.0356 175.9315 61 I 4.6458 9.0940 127.8574 59.3227 39.9641 175.0449 62 D 4.9141 8.8448 127.3143 53.2821 42.0999 174.4125 63 P 4.3712 0.0000 0.0000 64.6451 31.4640 176.9143 64 G 3.8959 8.6870 108.8621 45.5940 0.0000 172.9472 65 S 4.8424 7.7443 115.6551 56.7926 66.2469 172.6797 66 I 5.0813 8.0701 119.7755 59.6313 40.8762 174.5101 67 V 4.5741 8.9590 121.9271 59.8125 35.3971 174.5341 68 T 4.8795 8.5230 120.6525 61.8369 70.6250 173.6003 69 V 4.2206 8.8446 127.3965 61.4496 33.7432 174.4192 70 S 4.8477 9.1371 123.5888 57.2821 63.8514 172.7859 71 V 4.6142 8.7798 128.5710 61.8135 33.1791 174.5828 72 M 5.0433 9.3592 130.3342 53.6270 33.4134 175.1580 73 L 4.3357 9.3713 128.1147 54.4123 43.1580 176.4600 74 Q 4.6323 8.3522 126.1407 54.9704 29.4562 174.6094 75 P 4.8883 0.0000 0.0000 63.4834 32.0769 175.2216 76 F 4.7636 8.4182 115.1961 56.0768 41.1902 173.8299 77 D 4.3280 8.8373 119.6816 54.0788 39.6770 174.6638 78 Y 4.0986 8.1276 128.3590 57.0707 39.4233 173.8922 79 D 4.4759 8.3989 127.3412 51.5026 41.3913 174.6148 80 P 3.6403 0.0000 0.0000 64.7139 31.3272 177.2687 81 N 4.4602 8.8092 114.8873 53.8867 38.8155 174.3000 82 E 4.3369 8.0740 120.9071 54.4742 30.3872 175.1404 83 K 4.3890 8.2598 127.2956 54.7815 33.7399 175.7563 84 S 3.8706 8.0624 119.1823 58.0912 62.6664 173.7735 85 K 4.2931 8.1591 126.8624 56.6053 32.6682 175.9267 86 H 4.6718 7.7927 115.9980 56.5965 30.0125 174.5433 87 K 5.2213 9.0790 120.0240 54.9331 37.0232 175.1315 88 F 5.1570 9.4403 119.7475 55.9888 43.3890 173.9616 89 M 5.1742 9.0883 119.8947 53.9512 35.7818 173.9657 90 V 4.7457 9.1081 126.4420 61.5349 33.7922 174.0434 91 Q 5.2625 9.1571 128.3990 54.7349 30.9212 175.1414 92 T 5.5522 9.3414 112.5732 60.6416 72.8913 172.3987 93 I 4.6744 8.4604 121.3081 59.6017 41.9672 173.8690 94 F 4.7785 8.4612 125.3186 57.0609 39.8054 175.1494 95 A 4.1789 9.2280 126.1514 51.2084 18.5679 176.1428 96 P 4.4950 0.0000 0.0000 61.5551 32.4858 174.8909 97 P 4.1940 0.0000 0.0000 65.6201 31.1469 178.1511 *100 S 4.4431 7.6602 112.4936 57.4466 64.5864 173.2437 101 D 4.9477 7.4779 117.2180 52.6310 44.4520 176.7570 102 M 4.0775 8.5808 125.8442 57.9689 32.2008 178.5662 103 E 4.0535 8.6999 119.0528 59.6785 29.6752 179.2360 104 A 4.0565 8.2351 119.9126 55.0133 18.0790 179.8150 105 V 3.3370 7.0696 115.6556 66.1156 31.4615 178.1177 106 W 4.4608 8.0216 118.9069 59.4665 28.6143 178.5981 107 K 4.1916 8.0025 118.0911 59.6737 32.3545 178.8324 108 E 4.1582 7.9558 118.2766 57.2489 29.6032 177.2410 109 A 4.2479 7.0877 121.7900 52.3155 18.9688 177.4495 110 K 4.3753 9.3624 123.5959 55.0881 33.2246 176.7716 111 P 4.3085 0.0000 0.0000 65.5658 31.5400 178.2244 112 D 4.4811 8.1484 117.5313 55.6344 39.2510 176.8933 113 E 4.3183 8.1694 118.3614 57.2151 30.0786 176.0516 114 L 4.8876 7.4706 118.7972 53.7177 43.2362 176.0842 115 M 4.9348 9.0356 122.2287 53.6886 35.6051 174.4842 116 D 5.3642 8.6315 120.2904 52.7695 45.1961 175.0269 117 S 4.9075 9.1229 117.4498 56.6692 66.6359 173.1367 118 K 5.1786 8.6398 121.3569 54.6811 34.8855 175.5247 119 L 5.0535 9.2852 123.4047 52.9824 45.8251 175.3888 120 R 4.8190 8.9074 123.1374 55.2873 31.9552 175.1628 121 C 5.2083 8.6832 123.5571 59.3792 29.7101 173.3355 122 V 4.4385 9.3964 121.8110 61.3202 34.5075 173.9467 123 F 5.8789 8.9760 126.6021 56.3301 40.4649 174.7550 124 E 4.9716 9.4228 124.3495 54.5222 33.3443 175.6354 125 M 4.2540 8.4239 121.3639 55.7173 32.7389 174.8991 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 E 8.44 4.26 0.00 2.00 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 2.23 2.33 0.00 6 Q 8.70 3.73 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.67 0.00 7 I 9.10 3.93 1.78 0.00 0.00 1.00 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 0.88 0.65 0.00 0.00 8 L 7.78 4.40 0.00 1.58 1.54 0.88 0.75 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 9 V 8.96 4.32 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 0.83 0.00 0.00 0.93 0.00 0.00 10 L 8.44 5.17 0.00 1.62 1.66 0.87 0.88 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 11 D 8.72 5.09 0.00 2.69 2.45 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 12 P 0.00 4.66 0.00 2.28 1.98 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 13 P 0.00 4.46 0.00 2.19 2.20 0.00 3.35 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 14 S 7.72 4.76 0.00 3.87 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 0.00 15 D 8.04 5.28 0.00 2.52 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 9.07 4.49 0.00 1.63 1.36 0.52 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.41 5.05 0.00 1.58 1.77 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 18 F 10.30 4.92 0.00 3.20 3.20 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 19 K 8.82 4.76 0.00 1.74 1.68 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.37 7.81 20 G 7.72 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 0.00 0.00 0.00 21 P 0.00 4.16 0.00 1.92 1.94 0.00 3.50 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 22 F 8.06 4.86 0.00 2.50 2.47 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 23 T 8.00 4.11 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 1.18 0.00 0.00 24 D 7.50 5.04 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 3.99 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 0.90 0.00 0.00 0.97 0.00 0.00 26 V 8.81 4.48 2.36 0.00 0.00 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 1.00 0.00 0.00 27 T 8.71 5.34 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 1.25 0.00 0.00 28 T 9.05 4.63 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 0.97 0.00 0.00 29 N 8.54 5.28 0.00 2.51 2.65 0.00 0.00 6.69 7.85 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 30 L 8.64 4.64 0.00 1.55 1.36 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.06 4.58 0.00 1.81 1.66 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.36 7.81 32 L 9.09 4.90 0.00 1.31 1.34 0.04 0.43 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 33 Q 9.17 4.81 0.00 2.04 2.03 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 2.26 2.27 0.00 34 N 9.07 5.19 0.00 2.90 2.73 0.00 0.00 6.64 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 35 P 0.00 4.50 0.00 2.24 2.16 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 36 S 8.15 4.64 0.00 4.12 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 37 D 8.45 4.77 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.51 4.81 0.00 1.63 1.85 0.00 2.75 0.00 0.00 2.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 39 K 8.70 4.43 0.00 1.75 1.77 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.47 7.81 40 V 8.92 4.79 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 0.98 0.00 0.00 1.06 0.00 0.00 41 C 9.04 5.16 0.00 2.62 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 42 F 8.98 5.87 0.00 3.17 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 43 K 9.30 4.94 0.00 1.33 0.98 0.00 1.13 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 1.11 7.81 44 V 8.76 4.97 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 1.13 0.00 0.00 1.14 0.00 0.00 45 K 9.12 4.77 0.00 1.59 1.52 0.00 1.69 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.23 7.81 46 T 7.89 4.67 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 47 T 8.28 4.05 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 1.14 0.00 0.00 48 A 7.41 4.68 1.04 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 49 P 0.00 4.29 0.00 2.19 2.28 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 50 R 7.90 3.85 0.00 1.76 1.98 0.00 3.16 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 51 R 7.95 4.16 0.00 1.60 1.29 0.00 3.00 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 52 Y 7.32 5.42 0.00 3.00 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 53 C 9.15 4.98 0.00 2.95 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 54 V 8.51 5.02 2.23 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 0.95 0.00 0.00 1.22 0.00 0.00 55 R 9.10 4.76 0.00 1.79 1.82 0.00 3.22 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 56 P 0.00 4.93 0.00 2.41 2.14 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.17 0.00 57 N 8.85 5.00 0.00 2.84 3.34 0.00 0.00 5.61 7.64 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 58 S 6.91 4.44 0.00 3.95 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 59 G 6.04 3.63 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 0.00 0.00 0.00 60 V 8.02 4.92 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 0.94 0.00 0.00 0.89 0.00 0.00 61 I 9.09 4.65 1.97 0.00 0.00 0.77 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 1.07 0.96 0.00 0.00 62 D 8.84 4.91 0.00 2.71 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 63 P 0.00 4.37 0.00 2.19 2.12 0.00 3.83 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 2.01 2.00 0.00 64 G 8.69 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.74 4.84 0.00 4.06 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 66 I 8.07 5.08 1.86 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 1.32 1.02 0.91 0.00 0.00 67 V 8.96 4.57 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 0.77 0.00 0.00 0.76 0.00 0.00 68 T 8.52 4.88 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 1.21 0.00 0.00 69 V 8.84 4.22 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 1.05 0.00 0.00 0.82 0.00 0.00 70 S 9.14 4.85 0.00 3.93 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 71 V 8.78 4.61 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 0.82 0.00 0.00 0.67 0.00 0.00 72 M 9.36 5.04 0.00 2.05 2.23 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 2.63 2.54 0.00 73 L 9.37 4.34 0.00 1.45 1.74 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.35 4.63 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 75 P 0.00 4.89 0.00 2.11 2.21 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 76 F 8.42 4.76 0.00 3.00 2.91 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 77 D 8.84 4.33 0.00 2.68 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 78 Y 8.13 4.10 0.00 2.54 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 79 D 8.40 4.48 0.00 2.64 2.47 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 80 P 0.00 3.64 0.00 2.18 2.07 0.00 3.17 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 81 N 8.81 4.46 0.00 2.77 2.87 0.00 0.00 6.88 8.29 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 82 E 8.07 4.34 0.00 1.86 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 2.23 2.21 0.00 83 K 8.26 4.39 0.00 1.72 1.64 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.42 7.81 84 S 8.06 3.87 0.00 2.72 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 85 K 8.16 4.29 0.00 1.67 1.73 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.41 7.81 86 H 7.79 4.67 0.00 3.23 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.08 5.22 0.00 1.61 1.73 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.56 7.81 88 F 9.44 5.16 0.00 2.82 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 89 M 9.09 5.17 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 90 V 9.11 4.75 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 1.05 0.00 0.00 0.93 0.00 0.00 91 Q 9.16 5.26 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.47 0.00 0.00 0.00 0.00 0.00 2.51 2.21 0.00 92 T 9.34 5.55 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 1.34 0.00 0.00 93 I 8.46 4.67 1.80 0.00 0.00 0.77 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 1.59 0.33 0.00 0.00 94 F 8.46 4.78 0.00 2.99 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 95 A 9.23 4.18 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 96 P 0.00 4.50 0.00 2.13 2.02 0.00 3.64 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 1.88 1.84 0.00 97 P 0.00 4.19 0.00 2.04 2.13 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 *100 S 7.66 4.44 0.00 3.87 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 0.00 101 D 7.48 4.95 0.00 2.69 2.47 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 0.00 102 M 8.58 4.08 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 103 E 8.70 4.05 0.00 2.15 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 2.38 2.52 0.00 104 A 8.24 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.07 3.34 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 0.21 0.00 0.00 0.88 0.00 0.00 106 W 8.02 4.46 0.00 3.47 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 0.00 107 K 8.00 4.19 0.00 1.98 2.00 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.59 7.81 108 E 7.96 4.16 0.00 2.10 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 2.34 2.45 0.00 109 A 7.09 4.25 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 0.00 110 K 9.36 4.38 0.00 1.82 1.98 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.39 7.81 111 P 0.00 4.31 0.00 2.24 2.33 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 112 D 8.15 4.48 0.00 2.83 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 0.00 113 E 8.17 4.32 0.00 2.12 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 2.35 2.40 0.00 114 L 7.47 4.89 0.00 1.78 1.66 1.04 1.52 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 0.00 115 M 9.04 4.93 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 116 D 8.63 5.36 0.00 2.50 2.51 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 0.00 117 S 9.12 4.91 0.00 3.71 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 0.00 118 K 8.64 5.18 0.00 1.60 1.69 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 119 L 9.29 5.05 0.00 1.58 1.51 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.91 4.82 0.00 1.89 2.00 0.00 3.08 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 121 C 8.68 5.21 0.00 3.00 3.21 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 0.00 122 V 9.40 4.44 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 1.08 0.00 0.00 0.98 0.00 0.00 123 F 8.98 5.88 0.00 3.17 2.81 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 0.00 124 E 9.42 4.97 0.00 2.15 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 2.25 2.29 0.00 125 M 8.42 4.25 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.68 0.00 * Residues marked with a * may have inaccurate shift predictions.