NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.5875 8.1127 121.0014 56.2850 32.8769 173.7610 4 R 4.6608 9.3429 122.1082 55.9538 31.7267 173.4910 5 I 4.9638 8.7139 127.0429 59.3887 41.1110 173.7106 6 L 4.7139 8.5729 129.9907 54.0640 43.4192 175.4906 7 V 4.3600 9.0163 128.2316 61.6880 32.8527 175.0271 8 V 4.4798 8.7819 130.5949 61.6608 32.3577 174.2419 9 E 4.8843 8.7319 129.4681 55.1386 32.6647 175.7294 10 D 5.0227 8.2822 127.2603 55.0832 40.1120 176.7724 11 E 4.2675 8.7432 120.4487 54.8342 29.8106 176.5130 12 A 3.9965 8.6247 126.8960 55.1600 18.4080 177.2762 13 P 4.2195 0.0000 0.0000 65.6384 31.3784 179.0615 14 I 3.7382 7.6682 118.1801 64.3614 37.1146 178.1593 15 R 3.9079 8.2446 119.8288 59.6887 29.9025 178.4476 16 E 4.0183 8.3965 118.3233 59.2956 29.4329 178.9441 17 M 4.0817 8.1355 118.4378 58.6502 32.2848 178.3789 18 V 3.7276 8.2717 118.7413 66.3419 31.7132 177.5475 19 C 4.0687 8.3289 116.5457 62.9207 27.9072 175.9812 20 F 4.0723 8.4563 122.0089 61.3418 38.4937 177.2408 21 V 3.6299 8.1849 117.8658 66.0427 31.2655 178.0283 22 L 4.1655 8.2406 118.8312 57.8190 41.5384 179.0870 23 E 4.1723 8.4644 120.2630 59.0843 29.2158 179.4338 24 Q 3.8863 7.7328 116.5985 58.3677 28.6804 177.9705 25 N 4.8769 7.5490 114.0787 52.7097 39.1822 175.8701 26 G 3.7061 7.9257 107.8519 45.2184 0.0000 173.8853 27 F 4.8712 8.0387 118.4320 56.2220 41.8592 175.2379 28 Q 4.6625 9.0173 120.0656 53.8315 30.3171 173.4915 29 P 5.1677 0.0000 0.0000 62.0529 32.8831 176.2163 30 V 4.5867 8.9371 115.0406 59.7070 35.6169 174.4372 31 E 5.1403 8.7779 122.0194 54.7381 31.9297 175.3066 32 A 4.8074 8.8881 124.4647 50.2698 22.5892 176.4408 33 E 4.5646 8.9847 117.3520 55.5397 31.0524 174.7588 34 D 4.7160 7.3058 118.8081 51.7576 43.1748 175.0819 35 Y 3.7719 8.6372 119.7771 61.1579 38.6721 177.5766 36 D 4.5143 8.4105 119.1043 57.8203 40.9564 179.1104 37 S 4.1006 8.6947 115.3579 61.3519 62.5237 176.7158 38 A 3.7269 7.4048 122.7670 54.9564 18.2517 179.4384 39 V 3.7882 7.5565 116.7804 66.4156 31.3715 177.9974 40 N 4.3783 8.0644 114.9414 56.2169 38.4878 176.5453 41 Q 4.3115 7.8604 118.4805 56.5855 30.3679 177.4092 42 L 4.5026 7.3770 119.9215 54.3657 39.3150 176.5307 43 N 4.7832 7.8892 120.9636 53.6840 40.9324 174.7048 *46 W 4.6081 8.1557 117.4815 55.4193 29.7902 176.4200 47 P 4.7203 0.0000 0.0000 61.8126 31.9745 176.0308 48 D 4.6105 8.8041 120.1582 56.9198 41.6175 176.5902 49 L 4.6561 7.6368 118.2579 53.9300 45.8119 173.6578 50 I 4.7885 8.7967 126.5883 59.4830 39.9706 174.1474 51 L 4.8459 8.7725 130.2294 53.4606 43.7033 174.8990 52 L 4.8684 8.6743 128.6051 53.0629 44.8040 175.3187 53 D 5.2195 8.9595 126.7877 53.9624 42.4062 176.2340 54 W 4.4034 8.9463 132.9902 60.2183 31.5680 176.0940 55 M 4.8074 8.1753 124.6747 54.8979 31.4169 175.8564 56 L 4.8961 8.2097 123.0682 51.8446 46.1245 174.6366 57 P 4.2953 0.0000 0.0000 64.1874 31.7423 177.6881 58 G 3.9343 8.4411 111.3686 44.5555 0.0000 172.7148 59 G 3.8480 6.2115 106.8570 43.7402 0.0000 173.3777 60 S 4.9721 7.9604 117.1882 56.9574 66.0282 175.5289 61 G 3.7142 8.9679 110.7310 47.2203 0.0000 176.0511 62 I 3.4001 7.0368 121.4364 64.4332 37.0556 178.1855 63 Q 4.0299 8.0247 118.6576 58.9891 28.4636 178.7804 64 F 4.0700 8.6073 121.6759 61.2813 39.3195 177.1464 65 I 3.5664 8.0954 119.6586 64.4549 36.9651 178.4866 66 K 3.8647 7.9528 119.1834 59.5899 31.5876 178.7494 67 H 3.9763 8.1463 117.6995 59.3739 30.1732 176.8083 68 L 4.0166 7.6857 122.2531 57.1760 41.2333 179.7446 69 K 4.1496 8.0119 117.2456 58.5657 32.1553 179.0228 70 R 4.2199 7.7348 115.1964 56.4717 29.8990 175.8095 71 E 4.3792 7.2859 120.8195 54.2194 30.5025 176.0874 72 S 4.0812 8.8698 121.9533 61.9798 62.7766 176.3814 73 M 4.2001 8.7825 119.0185 56.6140 31.8177 176.7890 74 T 4.4604 7.8568 107.8090 61.0036 70.2452 175.9486 75 R 3.9298 7.5761 124.4149 59.6628 30.0221 177.1440 76 D 4.7310 7.7953 113.5932 52.9861 40.7307 180.5115 77 I 4.1141 7.5213 120.5179 61.3819 37.4561 174.5916 78 P 4.6957 0.0000 0.0000 62.7830 33.1064 175.3131 79 V 4.8163 8.9695 120.8569 61.2275 34.7945 174.1200 80 V 4.7399 8.6815 128.3146 61.2564 33.7444 174.6446 81 M 4.6297 8.7108 128.2411 55.2674 33.7063 175.7759 82 L 4.9009 8.7584 124.5520 54.1825 44.9632 174.5866 83 T 4.9466 8.5744 120.1598 60.5158 70.8388 174.4579 84 A 4.0198 8.7624 129.0813 54.0312 18.7335 178.2291 85 R 4.0165 8.1170 115.4565 56.0249 28.7657 176.3757 86 G 4.1384 8.3835 110.2288 45.1428 0.0000 172.4090 87 E 4.2905 7.9850 120.2531 55.1231 31.6109 176.9362 88 E 3.9263 8.8763 124.3180 60.5697 29.5910 179.8404 89 E 3.9798 8.1889 117.3748 61.2264 29.7033 180.5757 90 D 4.7456 7.8493 118.9709 57.4990 40.9628 178.8713 91 R 2.0000 7.6791 118.4736 58.5457 29.9396 179.3200 92 V 3.4756 7.8327 118.1834 65.9107 31.5696 177.9783 93 R 3.9873 8.5522 118.9428 59.3782 29.9515 178.5325 94 G 3.8106 8.2309 105.4325 47.9307 0.0000 175.6169 95 L 4.1817 7.6753 121.3795 57.6694 41.5146 179.6110 96 E 4.0680 8.3696 117.1591 59.3709 29.3704 179.2027 97 T 4.1420 7.7636 115.5306 65.2760 68.5626 174.0018 98 G 3.2612 7.1577 111.1989 44.6736 0.0000 173.4378 99 A 4.1861 7.5717 124.8390 52.0849 18.8898 178.1225 100 D 4.6119 8.9238 122.4365 57.1499 41.7875 175.8424 101 D 4.7514 7.8623 115.9548 53.6600 45.3055 173.6806 102 Y 5.0763 8.4051 122.3411 56.5941 41.5632 173.6763 103 I 4.7741 8.9508 128.5009 59.6617 40.3222 175.0491 104 T 5.0063 8.6722 116.8960 60.7661 70.4212 174.3239 105 K 4.8867 8.6493 123.8769 54.7070 33.5079 175.1694 106 P 4.4751 0.0000 0.0000 62.4863 32.1572 175.4828 107 F 5.0013 7.8205 114.6044 54.7051 40.7927 175.0940 108 S 4.4237 8.5557 115.9939 57.1958 63.4763 173.2121 109 P 4.6980 0.0000 0.0000 65.8244 31.1717 178.7735 110 K 3.9914 8.0988 118.0290 59.4797 31.9800 178.7078 111 E 3.9829 8.5130 119.6309 58.8731 29.4918 178.5475 112 L 3.8607 8.4532 121.0166 58.1088 42.1822 179.1882 113 V 3.5640 7.8788 117.9003 65.9847 31.4872 177.5474 114 A 4.0442 8.3355 120.8735 55.5903 18.0601 179.9173 115 R 3.9058 8.3622 116.5440 59.1741 30.0567 179.1353 116 I 3.6182 7.8467 119.7422 64.4747 37.0934 178.5869 117 K 4.0551 8.3091 118.9028 59.2765 31.6411 179.1505 118 A 3.9792 7.9493 120.1020 55.2164 18.6357 179.4982 119 V 3.6891 8.0174 116.7886 66.6646 31.4423 178.2355 120 M 4.1170 8.1463 117.0784 58.2117 31.8053 178.1805 121 R 3.9924 8.2282 118.7606 59.0553 30.1168 176.3556 122 R 4.1927 7.8231 121.3315 56.2255 30.2376 175.9665 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 R 8.11 4.59 0.00 1.52 1.99 0.00 3.20 0.00 0.00 3.33 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 4 R 9.34 4.66 0.00 1.91 1.92 0.00 3.01 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 5 I 8.71 4.96 1.77 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 0.81 0.00 0.00 6 L 8.57 4.71 0.00 1.78 1.53 0.92 0.76 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 7 V 9.02 4.36 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 0.89 0.00 0.00 0.88 0.00 0.00 8 V 8.78 4.48 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 0.62 0.00 0.00 0.62 0.00 0.00 9 E 8.73 4.88 0.00 2.07 1.70 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 2.22 2.42 0.00 10 D 8.28 5.02 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.74 4.27 0.00 2.18 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 2.30 2.32 0.00 12 A 8.62 4.00 1.32 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 13 P 0.00 4.22 0.00 2.17 2.10 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 14 I 7.67 3.74 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 1.01 0.00 0.00 15 R 8.24 3.91 0.00 1.93 2.09 0.00 3.07 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 16 E 8.40 4.02 0.00 2.08 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 2.35 2.62 0.00 17 M 8.14 4.08 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 18 V 8.27 3.73 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 0.99 0.00 0.00 1.11 0.00 0.00 19 C 8.33 4.07 0.00 3.25 3.03 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 20 F 8.46 4.07 0.00 3.20 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 21 V 8.18 3.63 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 1.10 0.00 0.00 1.18 0.00 0.00 22 L 8.24 4.17 0.00 1.92 1.77 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.46 4.17 0.00 2.00 1.85 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 2.32 2.30 0.00 24 Q 7.73 3.89 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.28 0.00 0.00 0.00 0.00 0.00 2.01 1.69 0.00 25 N 7.55 4.88 0.00 3.10 2.93 0.00 0.00 7.20 7.53 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 26 G 7.93 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 0.00 0.00 0.00 27 F 8.04 4.87 0.00 3.01 2.90 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 28 Q 9.02 4.66 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 29 P 0.00 5.17 0.00 1.95 1.96 0.00 3.64 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 2.17 2.14 0.00 30 V 8.94 4.59 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 0.75 0.00 0.00 0.98 0.00 0.00 31 E 8.78 5.14 0.00 1.82 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 2.22 2.29 0.00 32 A 8.89 4.81 1.07 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 0.00 0.00 33 E 8.98 4.56 0.00 2.13 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 0.00 2.25 2.21 0.00 34 D 7.31 4.72 0.00 3.18 2.80 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 35 Y 8.64 3.77 0.00 3.24 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 36 D 8.41 4.51 0.00 2.79 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 37 S 8.69 4.10 0.00 3.95 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 38 A 7.40 3.73 0.55 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.56 3.79 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 1.07 0.00 0.00 0.77 0.00 0.00 40 N 8.06 4.38 0.00 2.92 2.87 0.00 0.00 7.05 7.29 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 41 Q 7.86 4.31 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.35 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 42 L 7.38 4.50 0.00 1.78 1.65 0.92 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.89 4.78 0.00 2.78 2.73 0.00 0.00 7.08 7.68 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 *46 W 8.16 4.61 0.00 2.54 2.11 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 47 P 0.00 4.72 0.00 2.34 2.07 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 48 D 8.80 4.61 0.00 2.72 2.80 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 49 L 7.64 4.66 0.00 1.66 1.37 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.80 4.79 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 0.99 0.00 0.00 51 L 8.77 4.85 0.00 1.61 1.42 0.76 0.21 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 52 L 8.67 4.87 0.00 1.73 1.43 0.74 1.25 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 53 D 8.96 5.22 0.00 2.94 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 8.95 4.40 0.00 3.51 2.90 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 55 M 8.18 4.81 0.00 2.09 2.06 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 2.45 2.49 0.00 56 L 8.21 4.90 0.00 1.97 1.54 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.30 0.00 2.20 1.99 0.00 3.60 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 2.12 2.10 0.00 58 G 8.44 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 0.00 0.00 0.00 59 G 6.21 3.85 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 0.00 0.00 0.00 60 S 7.96 4.97 0.00 4.12 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 61 G 8.97 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 0.00 0.00 0.00 62 I 7.04 3.40 1.52 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 0.74 0.00 0.00 63 Q 8.02 4.03 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 64 F 8.61 4.07 0.00 3.08 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 65 I 8.10 3.57 1.95 0.00 0.00 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 1.52 0.69 0.87 0.00 0.00 66 K 7.95 3.86 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.54 7.81 67 H 8.15 3.98 0.00 3.13 3.28 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.69 4.02 0.00 1.66 1.55 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.01 4.15 0.00 1.66 1.82 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.54 7.81 70 R 7.73 4.22 0.00 1.95 2.01 0.00 3.00 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.54 0.00 71 E 7.29 4.38 0.00 2.01 1.76 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 2.17 2.36 0.00 72 S 8.87 4.08 0.00 4.01 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 73 M 8.78 4.20 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 74 T 7.86 4.46 4.16 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 1.17 0.00 0.00 75 R 7.58 3.93 0.00 2.06 1.99 0.00 3.21 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 76 D 7.80 4.73 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.52 4.11 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.93 0.96 0.00 0.00 78 P 0.00 4.70 0.00 2.10 2.16 0.00 3.79 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 2.13 1.96 0.00 79 V 8.97 4.82 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 1.02 0.00 0.00 0.93 0.00 0.00 80 V 8.68 4.74 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 0.91 0.00 0.00 0.88 0.00 0.00 81 M 8.71 4.63 0.00 1.66 1.59 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.43 0.00 82 L 8.76 4.90 0.00 1.45 1.31 0.55 0.03 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 83 T 8.57 4.95 4.33 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 0.00 0.00 0.00 0.90 0.00 0.00 84 A 8.76 4.02 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 85 R 8.12 4.02 0.00 1.64 1.67 0.00 2.37 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.28 0.00 86 G 8.38 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 87 E 7.99 4.29 0.00 2.11 1.85 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 2.30 2.29 0.00 88 E 8.88 3.93 0.00 2.01 1.95 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 2.36 2.38 0.00 89 E 8.19 3.98 0.00 2.01 1.95 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 2.32 1.98 0.00 90 D 7.85 4.75 0.00 2.84 2.86 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 91 R 7.68 2.00 0.00 1.62 1.57 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.71 0.00 92 V 7.83 3.48 2.17 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 1.01 0.00 0.00 0.94 0.00 0.00 93 R 8.55 3.99 0.00 2.02 2.26 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.65 0.00 94 G 8.23 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 0.00 0.00 0.00 95 L 7.68 4.18 0.00 1.78 1.73 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.37 4.07 0.00 1.95 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 2.50 2.49 0.00 97 T 7.76 4.14 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 1.14 0.00 0.00 98 G 7.16 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 0.00 0.00 0.00 99 A 7.57 4.19 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 0.00 100 D 8.92 4.61 0.00 2.70 2.74 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 0.00 101 D 7.86 4.75 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 Y 8.41 5.08 0.00 3.00 2.74 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 0.00 103 I 8.95 4.77 1.74 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 1.30 0.66 0.91 0.00 0.00 104 T 8.67 5.01 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 1.44 0.00 0.00 105 K 8.65 4.89 0.00 1.71 1.88 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.63 1.56 7.81 106 P 0.00 4.48 0.00 2.11 1.98 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 107 F 7.82 5.00 0.00 3.12 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 0.00 108 S 8.56 4.42 0.00 3.95 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 0.00 109 P 0.00 4.70 0.00 2.42 2.43 0.00 3.76 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 2.12 2.06 0.00 110 K 8.10 3.99 0.00 1.87 1.94 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.54 7.81 111 E 8.51 3.98 0.00 2.10 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 0.00 2.35 2.35 0.00 112 L 8.45 3.86 0.00 1.61 1.88 0.61 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.88 3.56 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 1.11 0.00 0.00 1.06 0.00 0.00 114 A 8.34 4.04 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 0.00 115 R 8.36 3.91 0.00 1.84 2.12 0.00 3.16 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 116 I 7.85 3.62 1.86 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 1.34 0.72 0.51 0.00 0.00 117 K 8.31 4.06 0.00 2.02 1.92 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.81 7.81 118 A 7.95 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 0.00 119 V 8.02 3.69 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 1.02 0.00 0.00 0.99 0.00 0.00 120 M 8.15 4.12 0.00 2.08 2.31 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 2.65 2.59 0.00 121 R 8.23 3.99 0.00 2.09 2.06 0.00 3.26 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 122 R 7.82 4.19 0.00 1.99 1.82 0.00 3.41 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 * Residues marked with a * may have inaccurate shift predictions.