NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2898 7.8827 121.4091 61.1604 39.0360 173.8291 3 K 4.9566 8.6968 127.4113 54.1200 35.4561 173.6623 4 K 4.8504 8.9756 126.0106 54.7801 36.4575 174.6289 5 E 3.2623 8.1945 120.2958 55.6691 32.4966 174.0081 6 G 3.6413 6.4229 108.0555 43.9538 0.0000 170.3879 7 P 4.2295 0.0000 0.0000 64.7441 31.1930 177.0577 8 G 4.0958 10.7176 111.8605 44.7581 0.0000 171.6073 9 W 5.7481 7.9543 115.4886 56.7161 31.9152 173.4512 10 R 4.7796 8.4622 114.5935 55.6930 32.0850 173.6742 11 I 5.2473 8.9537 121.4370 60.1182 41.6865 174.2438 12 I 5.0868 9.1006 127.6216 59.4377 41.0043 173.9647 13 F 5.1593 9.3450 129.7110 56.3683 41.5918 174.1430 14 D 4.6132 8.2745 126.6533 52.1235 42.1890 176.6882 15 S 3.8206 8.2181 121.6613 60.3466 63.2330 175.5727 16 S 4.2548 8.0583 114.7287 59.3703 63.2053 174.0739 17 R 4.5665 7.2832 120.4848 54.7902 31.4088 176.1096 18 D 4.5292 8.6072 121.4238 55.3513 41.6669 175.6742 19 N 4.4362 7.6589 115.2443 53.5957 41.5367 174.4276 20 F 5.1017 8.0375 119.1634 56.5711 38.4114 175.8289 21 S 4.5092 7.9267 115.6382 59.1347 65.0290 175.0276 22 T 5.1607 8.1939 118.1500 61.7021 71.6831 172.6135 23 L 5.3721 9.3851 128.1936 53.1931 45.0460 174.9308 24 I 5.3231 8.9678 119.4548 59.4475 40.8005 174.7087 25 G 3.8844 9.5410 110.7381 44.9218 0.0000 172.1203 26 G 4.3169 5.9548 110.5734 43.2639 0.0000 172.8409 27 E 3.9812 8.8161 119.0247 58.8736 29.9088 179.2923 28 T 4.7336 7.6993 105.0609 60.6827 69.4288 173.1514 29 W 5.1867 7.1987 117.6092 55.9526 30.8697 172.8843 30 A 5.4316 8.4149 119.7518 51.0123 21.7045 175.6694 31 I 4.7996 9.2167 114.2813 59.2564 41.3653 174.2717 32 E 5.2305 8.7931 123.0119 55.5245 31.3555 175.4879 33 L 5.4915 9.4358 122.5718 53.0512 46.0380 176.4698 34 D 5.5531 9.5852 121.8873 51.8162 40.9386 177.6484 35 K 4.2151 8.7282 118.5213 59.8175 31.8904 179.8075 36 S 4.2695 8.2204 114.8822 61.6617 62.9081 176.2978 37 E 4.2907 9.2383 121.7058 59.2840 29.2735 179.2055 38 W 4.5716 8.8630 128.4737 60.6969 30.9712 178.1143 39 K 4.0917 8.4776 118.3110 59.6565 31.4942 179.4754 40 I 3.7443 8.1204 120.1080 64.0812 36.9803 178.1643 41 L 3.1008 7.9298 121.1573 57.8990 41.6076 179.1165 42 V 2.9803 6.6955 116.4607 65.9268 31.3126 177.5405 43 E 3.6836 7.1206 116.4447 59.0047 29.5186 179.2708 44 V 3.6440 7.6562 118.4624 65.7404 31.5356 179.5224 45 V 3.5956 7.5788 116.4716 63.1022 31.1870 177.2083 *47 E 4.1063 8.1501 118.9636 55.6583 31.3739 177.6358 48 L 3.8282 7.7798 118.5032 57.9455 41.4819 179.3316 49 C 3.8060 7.9813 116.7050 62.7600 28.0941 175.9267 50 D 4.2956 7.8817 119.9216 57.3455 40.1588 178.6739 51 Q 3.8660 8.0748 118.4915 59.1194 28.7014 178.0133 52 Y 3.9687 8.0787 120.8171 60.8879 38.4781 178.5669 53 K 3.8461 8.1583 120.4504 59.9312 32.1674 179.6968 54 L 4.0712 7.5596 121.7702 58.6513 41.1069 181.3995 55 V 4.2880 7.2014 110.1476 61.3518 32.5895 177.8576 56 K 3.4285 7.6708 120.7118 59.7368 31.6695 178.0701 57 E 4.0045 7.8324 115.5927 58.5283 29.5880 178.3593 58 Q 4.1697 7.7474 117.0170 58.9345 29.4128 177.2086 59 L 4.3570 7.4027 119.4709 54.3301 43.1928 177.1607 *61 G 4.0810 8.0248 109.1755 46.7983 0.0000 173.1569 62 D 4.8434 8.8694 125.4007 52.8002 39.3083 175.9395 63 E 3.9026 8.1215 120.7368 57.6737 29.8981 175.2839 64 D 5.3125 8.4992 124.8186 52.9813 43.1959 175.5197 65 I 4.6722 8.9744 121.9504 59.5427 41.3812 174.1652 66 T 5.2304 8.5864 124.4196 61.7650 71.7905 173.0751 67 L 4.7692 9.0956 126.1312 52.8587 45.0983 175.3326 68 E 4.9696 8.8906 122.5516 54.5976 32.3306 174.8985 69 L 4.6487 8.8856 127.8008 53.0739 44.6846 174.4686 70 E 4.9791 8.8442 127.5342 54.6710 31.4131 175.4356 71 R 4.4112 9.2756 127.2299 53.8737 31.2503 173.4065 72 R 4.1786 8.6388 124.2599 56.7210 30.4630 173.9111 73 P 4.7619 0.0000 0.0000 62.6798 32.6989 174.8149 74 W 5.3042 8.7942 120.4549 55.2388 32.6998 174.3974 75 L 5.1986 9.1873 124.8229 53.3762 44.2863 174.7424 76 A 5.2447 9.0212 128.5483 50.1782 21.8893 174.8451 77 I 4.8031 8.8700 123.6926 59.4971 40.2548 174.3244 78 L 5.0864 8.7924 130.5479 53.6691 43.8925 174.7547 79 N 5.4085 8.9658 124.4552 52.2276 42.5463 173.7042 80 G 4.2180 8.4691 111.0854 47.1167 0.0000 170.3583 81 D 5.0266 8.7042 118.6220 51.2883 42.1982 175.4593 82 Q 4.0483 8.5875 115.7494 58.6287 28.5035 176.1481 83 Y 4.6477 8.7300 115.6962 57.1719 38.9486 175.4854 84 G 4.2019 7.2125 110.7597 45.4524 0.0000 170.9209 85 W 5.6342 6.9871 114.9512 55.1023 31.5901 173.5682 86 N 5.0945 9.6062 119.3793 51.3286 40.3314 173.1951 87 L 5.3741 8.5733 120.4870 53.5411 45.6831 174.6209 88 R 5.1827 9.1481 126.6058 54.5651 32.8667 174.2885 89 L 5.3187 9.2413 125.7933 53.0236 45.3521 175.3200 90 I 4.7942 9.2549 124.8348 59.5454 39.8183 174.1348 91 L 4.3271 8.9889 130.2892 53.3408 44.2013 176.3746 92 S 3.4733 8.5306 121.1331 59.2071 61.1620 173.4769 93 A 4.1355 7.8941 122.0291 54.4542 18.6785 179.5483 94 S 4.0864 7.9322 109.8485 59.5690 63.1227 175.7290 95 G 3.8269 8.0532 108.4039 45.2675 0.0000 173.1651 96 L 4.2609 7.3961 119.2551 53.2157 44.4172 179.7354 97 F 3.8021 7.3576 119.7997 58.6181 38.1769 178.9450 98 N 4.6108 9.0523 124.8011 53.6923 38.6446 174.3245 99 R 3.8251 8.6395 120.7714 56.9523 30.4392 176.6645 100 G 3.8798 8.4540 111.9055 46.6835 0.0000 172.1952 101 A 4.7643 8.3909 121.9600 50.7281 23.3522 175.1019 102 E 5.0593 8.4094 117.7619 54.8109 33.1949 175.7019 103 V 3.8127 8.7052 116.4403 59.6358 36.5129 173.7195 104 Y 5.1628 7.4016 121.8672 56.0113 41.9973 173.9024 105 W 5.0279 8.6754 126.3257 54.1901 32.5058 174.0586 106 P 4.8607 0.0000 0.0000 61.6122 33.0410 175.3369 107 R 5.0367 8.5615 116.8378 54.9549 30.4117 176.7204 108 H 4.5466 8.3679 113.6776 56.0503 28.4076 176.5200 109 V 4.0185 7.3429 120.5343 65.0201 33.8300 177.1516 110 T 3.1802 7.3742 110.0753 64.6375 67.9390 175.5004 111 N 3.9764 7.3705 118.9711 56.5209 38.9867 176.4731 112 N 3.9914 7.4369 117.2601 55.7808 38.3700 177.4577 113 V 2.2683 6.1305 118.6621 65.3998 31.5402 177.6770 114 V 3.5467 7.1415 116.7769 66.3174 31.6155 177.3125 115 N 4.4262 7.9710 115.6013 56.0983 38.0565 177.7035 116 A 3.9716 7.2970 118.2032 52.8665 18.1938 178.4429 *118 R 4.3834 7.9916 122.0633 57.9030 31.9893 177.8688 119 S 4.2639 7.8426 110.7345 58.4925 62.8738 175.1518 *121 W 5.0692 8.1573 132.0164 58.3893 32.1372 174.4619 122 D 4.5323 7.8585 119.8331 54.4977 40.3253 176.1122 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 2 I 7.88 4.29 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.98 0.00 0.00 3 K 8.70 4.96 0.00 1.77 1.59 0.00 1.64 0.00 0.00 1.89 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.48 7.81 4 K 8.98 4.85 0.00 1.88 1.94 0.00 1.92 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 5 E 8.19 3.26 0.00 1.46 1.45 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 1.93 1.99 0.00 6 G 6.42 3.64 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 0.00 0.00 0.00 7 P 0.00 4.23 0.00 2.12 2.08 0.00 3.76 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 2.05 2.08 0.00 8 G 10.72 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 9 W 7.95 5.75 0.00 3.41 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 10 R 8.46 4.78 0.00 1.72 1.76 0.00 2.84 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 11 I 8.95 5.25 2.08 0.00 0.00 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 1.59 1.19 0.86 0.00 0.00 12 I 9.10 5.09 1.88 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 1.10 1.03 0.95 0.00 0.00 13 F 9.35 5.16 0.00 2.71 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 14 D 8.27 4.61 0.00 2.54 2.30 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 15 S 8.22 3.82 0.00 4.03 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 16 S 8.06 4.25 0.00 3.97 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 17 R 7.28 4.57 0.00 1.75 1.86 0.00 3.14 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 18 D 8.61 4.53 0.00 2.64 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 19 N 7.66 4.44 0.00 2.61 2.40 0.00 0.00 7.21 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 20 F 8.04 5.10 0.00 3.21 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 21 S 7.93 4.51 0.00 3.82 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 0.00 22 T 8.19 5.16 4.36 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 0.72 0.00 0.00 23 L 9.39 5.37 0.00 1.71 1.53 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.97 5.32 2.60 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.14 1.47 0.00 0.00 25 G 9.54 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 G 5.95 4.32 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 27 E 8.82 3.98 0.00 2.10 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 2.42 2.37 0.00 28 T 7.70 4.73 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 1.28 0.00 0.00 29 W 7.20 5.19 0.00 3.51 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 30 A 8.41 5.43 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.22 4.80 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.13 0.98 0.00 0.00 32 E 8.79 5.23 0.00 1.82 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 2.33 2.36 0.00 33 L 9.44 5.49 0.00 1.90 1.93 1.59 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 34 D 9.59 5.55 0.00 2.79 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 35 K 8.73 4.22 0.00 2.02 2.05 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.10 7.81 36 S 8.22 4.27 0.00 4.05 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 37 E 9.24 4.29 0.00 2.49 2.37 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 2.29 2.55 0.00 38 W 8.86 4.57 0.00 3.63 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.09 0.00 2.12 2.14 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.85 1.98 7.81 40 I 8.12 3.74 2.18 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 1.10 0.00 0.00 41 L 7.93 3.10 0.00 1.07 1.57 -0.25 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 42 V 6.70 2.98 0.92 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 -0.08 0.00 0.00 -0.44 0.00 0.00 43 E 7.12 3.68 0.00 1.81 1.82 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 1.98 1.85 0.00 44 V 7.66 3.64 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 0.90 0.00 0.00 0.96 0.00 0.00 45 V 7.58 3.60 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 0.97 0.00 0.00 0.79 0.00 0.00 *47 E 8.15 4.11 0.00 2.07 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 2.20 2.31 0.00 48 L 7.78 3.83 0.00 1.61 1.34 0.81 0.65 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 49 C 7.98 3.81 0.00 2.92 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 50 D 7.88 4.30 0.00 2.76 2.65 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 51 Q 8.07 3.87 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 52 Y 8.08 3.97 0.00 2.65 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 53 K 8.16 3.85 0.00 1.88 1.81 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.76 7.81 54 L 7.56 4.07 0.00 1.78 1.59 0.92 0.89 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 55 V 7.20 4.29 1.97 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 0.71 0.00 0.00 0.88 0.00 0.00 56 K 7.67 3.43 0.00 0.82 1.58 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.26 1.28 7.81 57 E 7.83 4.00 0.00 1.89 1.93 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 2.22 2.28 0.00 58 Q 7.75 4.17 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 59 L 7.40 4.36 0.00 1.58 1.59 0.89 0.91 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 *61 G 8.02 4.08 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 0.00 0.00 0.00 62 D 8.87 4.84 0.00 2.87 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 63 E 8.12 3.90 0.00 2.03 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 2.40 2.37 0.00 64 D 8.50 5.31 0.00 2.64 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 65 I 8.97 4.67 1.90 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 1.26 1.51 1.12 0.00 0.00 66 T 8.59 5.23 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 1.29 0.00 0.00 67 L 9.10 4.77 0.00 1.44 1.46 0.84 0.54 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 68 E 8.89 4.97 0.00 1.80 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 2.21 2.27 0.00 69 L 8.89 4.65 0.00 1.69 1.46 0.90 0.63 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 70 E 8.84 4.98 0.00 2.03 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 2.46 2.32 0.00 71 R 9.28 4.41 0.00 1.82 1.83 0.00 3.19 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 72 R 8.64 4.18 0.00 1.84 1.89 0.00 3.32 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 73 P 0.00 4.76 0.00 1.84 2.14 0.00 3.81 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 1.49 1.86 0.00 74 W 8.79 5.30 0.00 3.38 3.09 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 75 L 9.19 5.20 0.00 1.78 1.56 1.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 76 A 9.02 5.24 1.20 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 77 I 8.87 4.80 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.84 0.96 0.00 0.00 78 L 8.79 5.09 0.00 1.46 1.34 -0.61 0.40 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 79 N 8.97 5.41 0.00 2.86 2.94 0.00 0.00 6.57 8.37 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 80 G 8.47 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 0.00 0.00 0.00 0.00 81 D 8.70 5.03 0.00 2.97 3.09 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 82 Q 8.59 4.05 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.87 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 83 Y 8.73 4.65 0.00 3.19 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 84 G 7.21 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 85 W 6.99 5.63 0.00 3.34 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 86 N 9.61 5.09 0.00 2.79 3.02 0.00 0.00 6.54 6.54 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 87 L 8.57 5.37 0.00 2.12 1.73 1.10 1.10 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 88 R 9.15 5.18 0.00 2.15 1.85 0.00 3.11 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 89 L 9.24 5.32 0.00 1.59 1.82 0.79 0.51 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 90 I 9.25 4.79 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.05 0.90 0.00 0.00 91 L 8.99 4.33 0.00 1.13 1.39 -0.42 0.46 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 92 S 8.53 3.47 0.00 3.89 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 93 A 7.89 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.09 0.00 3.97 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 95 G 8.05 3.83 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 0.00 0.00 0.00 96 L 7.40 4.26 0.00 1.20 0.46 0.75 0.70 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 97 F 7.36 3.80 0.00 3.20 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 0.00 0.00 0.00 98 N 9.05 4.61 0.00 2.80 2.88 0.00 0.00 6.68 7.66 0.00 0.00 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 R 8.64 3.83 0.00 1.71 1.77 0.00 3.15 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 100 G 8.45 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 0.00 101 A 8.39 4.76 1.12 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 0.00 0.00 102 E 8.41 5.06 0.00 1.69 1.73 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 2.14 2.24 0.00 103 V 8.71 3.81 0.67 0.00 0.00 0.00 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 0.38 0.00 0.00 104 Y 7.40 5.16 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 0.00 105 W 8.68 5.03 0.00 3.23 2.65 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 0.00 106 P 0.00 4.86 0.00 2.10 2.38 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.00 0.00 107 R 8.56 5.04 0.00 1.67 1.91 0.00 2.69 0.00 0.00 3.96 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 108 H 8.37 4.55 0.00 3.27 3.41 0.00 5.46 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.34 4.02 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 0.72 0.00 0.00 1.00 0.00 0.00 110 T 7.37 3.18 2.69 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 0.85 0.00 0.00 111 N 7.37 3.98 0.00 2.59 2.61 0.00 0.00 7.23 6.71 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 0.00 112 N 7.44 3.99 0.00 2.09 2.39 0.00 0.00 6.74 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 0.00 113 V 6.13 2.27 1.19 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 -0.38 0.00 0.00 -0.61 0.00 0.00 114 V 7.14 3.55 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 0.85 0.00 0.00 1.03 0.00 0.00 115 N 7.97 4.43 0.00 2.76 2.79 0.00 0.00 6.99 7.58 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 0.00 116 A 7.30 3.97 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 *118 R 7.99 4.38 0.00 2.08 2.05 0.00 3.10 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 119 S 7.84 4.26 0.00 4.07 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 *121 W 8.16 5.07 0.00 3.32 3.33 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 0.00 122 D 7.86 4.53 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.