NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3170 8.4449 120.2242 56.3126 31.6318 176.3881 8 N 4.5309 8.0159 114.5148 53.1311 38.9906 173.3852 9 R 4.7301 8.9864 121.8279 55.0486 33.3086 175.0999 10 T 5.1380 8.3230 110.5027 60.1234 71.8755 173.1569 11 V 4.1979 9.3047 125.4838 61.7016 33.1730 174.8705 12 V 4.4547 8.2644 126.7572 60.8475 33.7624 174.6466 13 V 4.2705 7.8116 125.0007 60.9969 34.3411 173.5612 14 E 5.1097 8.3947 124.9052 54.9633 33.3453 175.2020 15 R 4.7281 8.8176 120.3787 54.9747 35.3624 173.7522 16 Q 4.6136 8.7156 124.2736 55.2829 30.3604 174.5446 17 I 4.5581 8.9314 128.0795 58.8021 39.6449 176.5791 18 S 4.7965 8.2502 123.3288 57.7533 63.1908 173.6138 19 H 4.9642 7.6212 115.4590 54.0907 33.2167 172.1585 20 P 4.4483 0.0000 0.0000 61.9354 31.8926 175.5267 21 P 4.3947 0.0000 0.0000 65.6886 30.6718 178.5881 22 E 4.5293 8.0825 119.1077 58.5841 29.2954 178.9567 23 K 3.9978 8.1085 119.8113 59.2597 32.4204 178.7546 24 L 3.8404 7.8468 120.2763 57.7439 42.1188 178.4412 25 W 4.1071 8.5460 128.7212 60.5334 30.5409 177.9181 26 R 3.9702 8.2940 119.5029 58.8679 29.3142 178.4046 27 A 3.9459 7.5685 119.4885 54.6393 18.4096 178.8784 28 L 4.1570 7.2431 115.5499 55.7890 41.9098 177.4660 29 T 4.0478 7.1916 106.9992 60.9282 70.6333 173.5303 30 Q 4.4986 8.0590 123.1983 54.2233 29.7891 174.2481 31 P 4.1757 0.0000 0.0000 66.1653 31.2236 178.3260 32 H 4.3096 8.2465 111.1067 57.9882 28.8050 176.8461 33 L 4.1556 7.4007 121.5187 57.2511 41.9495 178.7070 34 I 3.4464 8.1048 120.1369 64.2504 36.7644 178.0477 35 E 4.0035 7.6748 118.5871 58.6999 29.3946 178.4743 36 E 4.1273 7.8834 118.6192 58.5585 29.6699 177.6296 37 W 4.7441 7.7656 113.3742 56.3173 29.9979 175.6114 38 L 3.4658 6.9052 119.4018 54.9629 42.5933 176.0155 *40 K 3.9459 8.1955 115.2488 56.2661 33.8243 174.0692 41 N 5.4736 8.2692 120.5848 53.3507 39.9148 173.2431 42 D 4.9066 8.3259 115.8105 52.5180 39.5506 175.8850 43 F 3.1645 7.7888 120.1735 58.7040 40.3747 173.8866 44 K 3.9236 5.7454 125.9815 54.0989 35.1637 175.7592 45 P 4.4700 0.0000 0.0000 62.2391 30.1942 176.5225 46 A 4.6472 7.0824 120.5813 49.7915 22.2202 176.2429 47 V 3.8650 8.4286 123.0618 64.4571 32.0039 176.2582 48 G 4.0298 9.1673 116.5228 45.2369 0.0000 173.1457 49 H 4.3274 8.1432 120.9555 56.3569 30.8888 174.1100 50 R 5.2201 8.2719 124.4641 54.7384 32.1401 175.1999 51 F 5.0270 8.7290 117.4864 56.1609 42.3215 172.3188 52 N 5.2736 10.4181 116.1683 51.4033 42.8248 174.0182 53 I 4.9658 7.8934 120.7108 59.6399 40.3868 174.9713 54 S 4.9400 8.7136 120.6611 56.5607 66.4985 173.0772 55 A 4.5790 8.1773 122.3032 49.8745 21.2638 177.7850 56 D 4.2351 8.6832 119.0422 56.6528 41.0075 177.7905 57 W 4.5853 7.3658 113.9071 55.9030 28.7619 175.9054 58 G 3.9416 7.7719 109.9644 45.9886 0.0000 175.3215 59 G 3.3478 6.0679 106.6060 46.7223 0.0000 173.0156 60 V 4.9002 7.9243 121.5023 60.0455 34.4579 173.7113 61 L 4.8051 8.9925 122.4083 53.0543 45.6913 174.8309 62 D 4.9158 8.7673 121.1868 52.9076 43.0963 175.5181 63 C 5.1236 8.4515 119.8722 56.8034 33.0696 172.6792 64 E 5.1694 8.8966 120.7896 54.7053 33.1941 174.4657 65 V 4.3814 9.4692 127.9386 63.4953 32.2080 175.9987 66 L 4.6401 9.5502 127.5265 56.0353 43.5922 176.8705 67 A 4.8725 7.9129 118.3853 50.4665 23.0292 175.5437 68 V 4.9488 8.4479 120.0894 61.7579 34.5679 174.5286 69 E 4.5315 9.8152 129.5952 53.3961 31.1612 171.1865 70 P 2.9700 0.0000 0.0000 61.9566 31.1087 175.8180 71 N 4.1081 5.7700 119.1968 53.5937 36.3831 174.7496 72 K 4.3894 7.9713 116.7984 57.7206 35.0571 176.2513 73 T 5.4382 7.8241 115.0510 61.9200 73.2184 172.4524 74 L 5.4404 9.2618 126.5897 53.8315 45.8572 174.8180 75 S 5.3131 9.5038 120.6136 56.9838 66.1087 172.0709 76 Y 5.6625 8.7274 123.7762 55.9467 41.6976 174.3071 77 T 4.6696 9.2891 111.7042 61.9436 70.5600 173.3875 78 W 5.3367 9.2903 132.9750 55.6028 31.0996 173.4901 79 N 5.4464 9.1303 121.8093 51.0833 42.7326 173.5895 80 L 4.6308 8.9156 122.7696 54.1628 45.0640 174.2628 81 A 4.8243 8.6179 129.6812 52.0729 18.0876 175.8233 82 H 4.8461 9.5240 121.9420 54.8685 33.4048 174.3696 83 Q 4.0741 8.7409 124.6820 58.1309 29.5458 175.3349 84 D 4.7621 8.0922 115.9398 52.2568 41.2285 174.9171 85 P 4.4815 0.0000 0.0000 65.6279 31.2425 178.2857 86 A 3.9205 8.5789 121.6444 54.0742 18.2889 177.7897 87 F 4.8905 8.0183 112.7541 57.8450 41.0402 176.3559 88 D 4.7969 7.8395 118.4174 54.4556 40.1034 174.0587 89 L 4.6914 8.9373 127.4711 53.4513 44.3474 175.1559 90 R 5.1942 8.5115 124.2617 54.7407 33.7364 174.2149 91 S 4.7516 9.2340 117.9312 56.9698 67.4898 173.0099 92 V 4.6618 8.7346 120.3151 61.0960 34.2679 174.0849 93 V 4.5032 8.8202 128.3498 61.4276 33.4141 174.4012 94 T 4.8930 7.8657 123.7963 61.7576 71.7066 173.2584 95 F 4.9396 9.8920 126.2189 56.0952 41.6946 174.9177 96 T 5.1339 9.0468 119.8286 61.8833 71.5028 172.7734 97 L 5.0641 9.2231 127.5998 53.4591 43.5546 176.2798 98 T 4.5656 8.9757 121.3920 60.8655 71.0063 172.0313 99 P 4.7333 0.0000 0.0000 63.0434 32.2327 176.0430 100 T 4.7652 8.9435 112.7779 58.9556 72.1436 173.1373 101 P 4.2401 0.0000 0.0000 65.5681 31.3703 177.7313 102 T 4.4644 8.2680 105.8621 60.9363 70.7842 175.8815 103 G 4.5315 6.1339 113.1723 46.5684 0.0000 175.1837 104 T 5.0508 8.7366 122.2381 61.7795 73.0105 170.7669 105 H 5.0186 9.4923 126.2870 54.9385 31.8108 173.3083 106 L 5.2047 8.8205 128.1057 53.3626 44.5773 175.2357 107 R 5.1556 8.7448 125.6731 53.6021 34.3648 174.2195 *109 E 4.3564 8.4683 118.8106 56.2701 31.0386 174.7038 110 Q 4.8942 9.1048 127.3655 54.1618 31.4229 174.6828 111 S 4.9917 8.6466 121.0281 56.6705 66.3299 174.8463 112 G 4.0213 8.9092 105.8297 45.9056 0.0000 173.9977 113 F 4.3995 8.0101 120.1649 57.1056 39.3688 175.6306 114 R 4.4598 8.8319 125.3479 54.9553 30.6148 176.1429 115 P 4.2674 0.0000 0.0000 65.6453 31.3593 177.4712 116 D 4.4476 7.9842 117.2968 55.4935 40.4985 177.0130 117 Q 4.3853 7.7697 121.6562 55.4329 26.9539 177.2774 118 R 3.9668 7.7344 121.5349 59.2640 30.5932 177.1701 119 R 3.7862 7.9194 118.1035 59.3573 30.2807 177.9436 120 A 4.1132 8.0576 120.0395 55.3806 18.4331 178.6635 121 Y 2.8695 7.9751 117.8943 60.4751 38.6374 178.5240 122 G 3.5794 7.7604 105.1711 47.7827 0.0000 175.2848 123 G 3.7879 7.9007 106.8660 47.4426 0.0000 175.2275 124 A 4.2651 7.8245 123.1452 54.7296 18.1463 180.4466 125 K 4.1681 7.2189 112.3550 57.1592 32.0526 178.3654 *127 G 3.6966 8.0073 110.2861 45.3810 0.0000 175.7269 128 W 4.6406 8.2118 120.6113 59.3237 29.0493 176.7738 129 P 4.2356 0.0000 0.0000 65.6803 30.8650 178.6743 130 Q 4.0352 7.9578 116.4093 58.8809 28.6025 178.5813 131 F 4.7825 8.0838 118.8120 61.0115 39.0245 177.7283 132 F 4.1521 9.3639 117.7115 60.5822 38.6585 177.4179 133 E 4.0572 8.4520 119.0258 59.3347 29.4911 179.0886 134 K 4.5133 8.2835 119.6026 58.5791 32.1088 179.2212 135 L 3.8079 8.3010 121.0825 58.2095 41.9753 178.9312 136 E 3.9755 8.5277 119.1805 59.3858 29.2653 179.3807 137 Q 4.0673 8.2778 117.7209 58.8462 28.4235 178.4263 138 L 3.9824 7.6606 121.8816 58.1853 42.3079 178.7438 139 L 4.0045 7.8075 117.3765 57.2298 41.5716 178.4196 140 D 4.6498 7.9160 117.1982 55.2291 41.2011 176.9613 141 R 4.1987 7.5127 123.4780 56.9148 30.2279 175.5111 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 7 E 8.44 4.32 0.00 1.95 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 0.00 2.20 2.39 0.00 8 N 8.02 4.53 0.00 2.69 2.77 0.00 0.00 6.83 6.78 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 9 R 8.99 4.73 0.00 1.31 1.34 0.00 2.74 0.00 0.00 2.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.29 0.00 10 T 8.32 5.14 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 1.25 0.00 0.00 11 V 9.30 4.20 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 0.79 0.00 0.00 0.55 0.00 0.00 12 V 8.26 4.45 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 0.84 0.00 0.00 0.95 0.00 0.00 13 V 7.81 4.27 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 0.21 0.00 0.00 0.70 0.00 0.00 14 E 8.39 5.11 0.00 1.83 1.78 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 2.21 2.27 0.00 15 R 8.82 4.73 0.00 1.93 1.88 0.00 3.39 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.24 0.00 16 Q 8.72 4.61 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 17 I 8.93 4.56 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.93 0.00 0.00 18 S 8.25 4.80 0.00 3.88 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 19 H 7.62 4.96 0.00 3.09 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.45 0.00 2.37 2.19 0.00 3.79 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 2.10 1.98 0.00 21 P 0.00 4.39 0.00 2.28 2.39 0.00 3.87 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 2.07 1.93 0.00 22 E 8.08 4.53 0.00 2.10 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 0.00 2.39 2.37 0.00 23 K 8.11 4.00 0.00 1.87 1.96 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.41 7.81 24 L 7.85 3.84 0.00 1.76 1.80 0.63 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.55 4.11 0.00 3.53 3.28 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 26 R 8.29 3.97 0.00 2.09 2.08 0.00 3.25 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 27 A 7.57 3.95 1.16 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 0.00 0.00 28 L 7.24 4.16 0.00 1.20 1.08 0.52 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.19 4.05 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 0.04 0.00 0.00 30 Q 8.06 4.50 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 31 P 0.00 4.18 0.00 2.15 2.10 0.00 3.63 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.35 0.00 32 H 8.25 4.31 0.00 3.30 3.40 0.00 5.52 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.40 4.16 0.00 1.76 1.90 0.66 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.10 3.45 1.87 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.33 0.00 0.00 35 E 7.67 4.00 0.00 1.87 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 2.25 2.25 0.00 36 E 7.88 4.13 0.00 2.30 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 2.54 2.48 0.00 37 W 7.77 4.74 0.00 3.84 3.22 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 0.00 38 L 6.91 3.47 0.00 0.27 0.57 -0.40 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.20 3.95 0.00 1.80 1.78 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 41 N 8.27 5.47 0.00 2.92 2.64 0.00 0.00 6.16 8.06 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 42 D 8.33 4.91 0.00 2.76 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 43 F 7.79 3.16 0.00 2.20 2.60 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 44 K 5.75 3.92 0.00 1.11 0.74 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.98 1.18 7.81 45 P 0.00 4.47 0.00 2.14 2.23 0.00 3.50 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.38 0.00 46 A 7.08 4.65 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 0.00 0.00 0.00 0.00 0.00 47 V 8.43 3.86 2.13 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 0.95 0.00 0.00 1.02 0.00 0.00 48 G 9.17 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.14 4.33 0.00 3.22 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.27 5.22 0.00 1.64 1.74 0.00 3.22 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 51 F 8.73 5.03 0.00 3.33 3.14 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 52 N 10.42 5.27 0.00 2.54 2.54 0.00 0.00 7.21 6.98 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 53 I 7.89 4.97 1.36 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.52 0.00 0.00 54 S 8.71 4.94 0.00 3.63 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 55 A 8.18 4.58 0.40 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 56 D 8.68 4.24 0.00 2.74 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 57 W 7.37 4.59 0.00 3.54 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 58 G 7.77 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 59 G 6.07 3.35 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 60 V 7.92 4.90 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 0.59 0.00 0.00 0.82 0.00 0.00 61 L 8.99 4.81 0.00 1.01 1.21 -0.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.77 4.92 0.00 2.45 2.44 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 63 C 8.45 5.12 0.00 1.23 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 0.00 0.00 0.00 64 E 8.90 5.17 0.00 2.01 1.79 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 2.30 2.30 0.00 65 V 9.47 4.38 2.39 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 1.21 0.00 0.00 1.05 0.00 0.00 66 L 9.55 4.64 0.00 1.74 1.78 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.91 4.87 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 68 V 8.45 4.95 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 1.18 0.00 0.00 1.13 0.00 0.00 69 E 9.82 4.53 0.00 2.03 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 2.11 2.23 0.00 70 P 0.00 2.97 0.00 1.79 1.59 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 71 N 5.77 4.11 0.00 2.61 2.76 0.00 0.00 6.85 6.92 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 72 K 7.97 4.39 0.00 1.78 1.75 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.40 7.81 73 T 7.82 5.44 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 1.32 0.00 0.00 74 L 9.26 5.44 0.00 1.78 1.65 1.32 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.50 5.31 0.00 3.95 3.73 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 76 Y 8.73 5.66 0.00 3.42 3.38 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 77 T 9.29 4.67 4.49 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 0.00 0.00 0.00 1.30 0.00 0.00 78 W 9.29 5.34 0.00 3.58 2.96 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 79 N 9.13 5.45 0.00 2.66 2.81 0.00 0.00 6.37 6.36 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 80 L 8.92 4.63 0.00 1.73 1.60 1.03 1.11 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 81 A 8.62 4.82 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 82 H 9.52 4.85 0.00 3.28 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.74 4.07 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 84 D 8.09 4.76 0.00 3.01 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 85 P 0.00 4.48 0.00 2.26 2.34 0.00 3.79 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 2.07 1.99 0.00 86 A 8.58 3.92 0.82 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 0.00 0.00 87 F 8.02 4.89 0.00 2.74 2.96 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 88 D 7.84 4.80 0.00 3.01 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 89 L 8.94 4.69 0.00 2.12 1.67 0.98 1.02 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 90 R 8.51 5.19 0.00 1.76 1.79 0.00 3.19 0.00 0.00 3.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 91 S 9.23 4.75 0.00 3.62 3.51 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 92 V 8.73 4.66 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 0.92 0.00 0.00 0.95 0.00 0.00 93 V 8.82 4.50 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 0.40 0.00 0.00 0.88 0.00 0.00 94 T 7.87 4.89 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 1.21 0.00 0.00 95 F 9.89 4.94 0.00 2.83 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 96 T 9.05 5.13 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 1.26 0.00 0.00 97 L 9.22 5.06 0.00 1.66 1.66 1.19 1.11 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 98 T 8.98 4.57 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 1.21 0.00 0.00 99 P 0.00 4.73 0.00 1.93 1.99 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 100 T 8.94 4.77 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 1.30 0.00 0.00 101 P 0.00 4.24 0.00 2.06 2.16 0.00 3.67 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 2.03 2.08 0.00 102 T 8.27 4.46 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 1.21 0.00 0.00 103 G 6.13 4.53 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 0.00 0.00 0.00 104 T 8.74 5.05 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 1.24 0.00 0.00 105 H 9.49 5.02 0.00 3.18 3.30 0.00 5.53 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.82 5.20 0.00 1.72 1.48 0.98 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.74 5.16 0.00 1.98 1.79 0.00 3.34 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.00 *109 E 8.47 4.36 0.00 1.81 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 2.20 2.21 0.00 110 Q 9.10 4.89 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 111 S 8.65 4.99 0.00 3.91 3.93 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 0.00 112 G 8.91 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 0.00 0.00 0.00 113 F 8.01 4.40 0.00 3.35 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 0.00 114 R 8.83 4.46 0.00 1.96 1.86 0.00 3.15 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 115 P 0.00 4.27 0.00 2.14 2.15 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 116 D 7.98 4.45 0.00 2.78 2.83 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 0.00 0.00 0.00 117 Q 7.77 4.39 0.00 2.43 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 118 R 7.73 3.97 0.00 1.91 1.93 0.00 3.19 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 119 R 7.92 3.79 0.00 1.92 1.84 0.00 3.30 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 120 A 8.06 4.11 1.62 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 0.00 0.00 121 Y 7.98 2.87 0.00 2.82 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 0.00 122 G 7.76 3.58 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 0.00 0.00 0.00 123 G 7.90 3.79 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 0.00 0.00 0.00 124 A 7.82 4.27 1.43 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 0.00 0.00 125 K 7.22 4.17 0.00 1.65 1.64 0.00 0.73 0.00 0.00 1.12 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.05 0.80 7.81 *127 G 8.01 3.70 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 0.00 0.00 0.00 128 W 8.21 4.64 0.00 3.49 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 0.00 129 P 0.00 4.24 0.00 2.14 2.08 0.00 3.52 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 130 Q 7.96 4.04 0.00 1.85 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 131 F 8.08 4.78 0.00 3.83 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 0.00 132 F 9.36 4.15 0.00 3.31 3.23 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 0.00 133 E 8.45 4.06 0.00 2.29 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 0.00 2.38 2.42 0.00 134 K 8.28 4.51 0.00 2.37 2.07 0.00 1.86 0.00 0.00 2.09 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.66 7.81 135 L 8.30 3.81 0.00 1.13 1.50 -0.02 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.53 3.98 0.00 2.20 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 2.32 2.50 0.00 137 Q 8.28 4.07 0.00 2.34 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 138 L 7.66 3.98 0.00 1.82 2.04 0.95 1.17 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 0.00 139 L 7.81 4.00 0.00 1.69 1.33 0.77 0.77 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 0.00 140 D 7.92 4.65 0.00 2.72 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 0.00 141 R 7.51 4.20 0.00 2.01 1.96 0.00 3.31 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.