NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.2652 0.0000 0.0000 62.2745 32.9527 176.5587 4 E 4.2194 8.2322 119.7424 54.8022 29.0695 173.9460 5 T 4.4456 8.0722 121.3051 62.3574 70.8208 174.5777 6 N 5.0169 8.6143 120.5580 52.1573 38.6733 173.2410 7 E 4.9681 7.7734 118.3688 55.3501 32.7062 173.6069 8 T 4.7550 8.4531 121.2701 61.3626 72.5032 173.8552 9 L 4.0877 8.6710 123.0303 58.1792 42.0074 177.8904 10 K 4.4693 7.9422 114.3814 56.2293 33.3508 176.1802 11 L 4.9146 7.6553 118.4793 52.6290 44.9222 175.0644 12 I 4.8359 8.1481 120.7437 58.8994 41.0837 175.2304 13 G 3.8645 9.2361 117.2693 44.9709 0.0000 174.9404 14 S 4.2514 8.7361 117.7179 60.9085 63.1329 175.9756 15 D 4.5135 8.0327 119.0008 54.9018 39.8204 177.1153 16 K 4.1687 8.2246 121.4154 58.7073 33.0113 177.7014 17 V 3.8864 8.1147 118.2504 65.8886 31.5073 175.6006 18 Q 4.3373 7.9437 120.7672 57.8887 28.8815 176.2095 19 G 4.0464 9.3322 114.8018 45.2178 0.0000 173.1110 20 T 4.3106 7.9750 117.4664 62.7604 69.7903 174.3160 21 A 4.4150 8.7474 127.6335 52.2001 20.0212 176.2070 22 V 4.8765 8.4713 120.5677 61.3417 34.5932 174.1543 23 Y 4.9595 9.5146 125.3222 56.2928 41.6252 176.2639 24 G 4.2569 8.7398 111.3603 43.6824 0.0000 172.6252 25 P 4.1901 0.0000 0.0000 65.6363 31.1666 177.4221 26 D 4.4356 8.0119 114.3658 53.5371 39.7570 176.9585 27 G 3.8421 8.2022 108.3114 45.8822 0.0000 173.1810 28 E 4.3784 8.5337 120.9794 54.5800 30.5324 175.6381 29 K 4.0137 8.6068 126.6136 56.4582 32.9286 176.3926 30 I 4.1208 8.2303 127.5480 62.1465 38.9506 176.3909 31 G 4.1759 7.0794 110.6281 45.8450 0.0000 171.6216 32 S 5.0881 8.2393 118.1843 56.9842 67.4289 173.8335 33 I 4.4393 8.7552 121.9852 61.3981 37.1186 176.8279 34 E 4.3750 9.4638 129.9310 58.5037 30.5156 176.2551 35 R 4.5670 7.5824 112.9698 55.9569 32.2884 173.5184 36 V 4.5634 8.0407 112.1113 60.9824 32.2580 175.7869 *38 I 3.8670 8.1553 125.6273 61.7233 38.2780 175.0761 39 E 3.9677 8.8049 125.1651 56.4622 29.5482 178.2095 40 K 3.8390 8.7413 124.2491 59.4935 32.1012 178.5052 41 V 3.7587 7.4081 117.9810 65.5110 31.8675 177.1021 42 S 4.1449 7.8727 114.6367 58.9709 63.5027 175.2944 43 G 3.8396 8.1626 108.8508 45.6237 0.0000 173.4320 44 R 4.2007 7.3421 116.9407 54.2162 30.7797 176.1893 45 V 3.6773 7.8609 120.9301 63.2183 32.0242 175.6107 46 S 4.3351 8.6654 122.6009 60.8237 62.6696 173.0052 47 Y 5.1275 6.9577 114.0702 56.0895 40.5277 173.1118 48 A 4.8607 9.3780 122.8038 50.7010 21.7968 176.5082 49 V 4.5113 9.0649 122.1629 61.4748 33.1403 174.6973 50 L 4.8888 9.1980 132.4619 54.5302 43.3074 175.2354 51 S 5.3970 9.1754 122.5580 57.3527 64.0972 172.7788 52 F 5.1092 8.8306 120.7495 56.6048 41.7572 172.8607 53 G 4.1265 9.0929 109.7081 46.2846 0.0000 174.6626 54 G 3.4154 8.0901 108.9676 46.3392 0.0000 172.5811 55 F 4.9571 8.4925 119.4445 54.8816 42.2283 174.6815 56 L 4.1113 8.6163 122.7155 56.9247 41.6481 177.7663 57 G 4.0656 9.4712 112.1822 44.9749 0.0000 173.2617 58 I 4.3472 7.6767 112.9581 60.1023 39.3357 175.8017 59 G 3.8282 8.9835 113.0987 45.6801 0.0000 172.2248 60 D 5.1017 7.5853 118.6739 51.9523 41.4401 174.6689 61 D 4.7297 8.4798 118.6532 52.6405 44.4718 175.0349 62 H 5.6898 8.4157 115.4112 54.4704 32.6058 172.6636 63 Y 4.7998 9.7654 124.0640 55.1649 41.6474 172.2830 64 P 5.2098 0.0000 0.0000 62.0313 33.0334 175.2030 65 L 5.0179 9.0236 123.4043 51.8890 45.1504 174.6304 66 P 4.7004 0.0000 0.0000 62.3202 32.3337 176.8028 67 W 4.2708 9.2492 130.8577 60.4019 30.5675 176.4308 68 P 4.2428 0.0000 0.0000 64.7952 30.8287 177.0636 69 A 4.1022 7.7845 119.8503 53.2710 18.4703 178.0766 70 L 4.0178 7.0597 116.7389 53.1465 40.3020 174.5749 71 K 4.4003 8.2338 121.5856 55.0117 33.6313 175.2176 72 Y 4.4476 8.8261 127.5217 57.4503 40.0744 173.7648 73 N 4.5836 8.8990 127.8663 52.1098 39.4015 175.5800 74 V 3.5974 8.5424 127.0062 66.1557 31.9060 176.9601 75 E 4.0443 8.2682 117.3194 59.4008 29.2946 178.2933 76 L 3.7186 7.9774 116.6062 54.7891 42.4196 176.5320 77 G 3.6187 7.6496 106.2800 44.6639 0.0000 171.9637 78 G 3.9812 5.8263 104.8656 46.2018 0.0000 172.0096 79 Y 5.1475 8.2155 117.7893 57.8032 39.0396 175.0670 80 Q 5.1299 9.6098 123.1514 53.5645 32.5088 173.0472 81 V 4.4875 8.5800 118.9467 61.4129 33.9997 178.9411 *83 V 3.6422 8.6450 128.1922 63.7447 32.0239 174.9424 84 T 4.4022 7.7783 116.7981 60.0692 72.0618 176.0246 85 V 3.4622 7.9819 119.9129 66.2979 31.2833 177.5404 86 D 4.5033 7.9606 116.9485 57.4144 41.0710 178.4830 87 Q 4.1558 7.7663 118.0527 59.0095 28.8383 178.4918 88 L 3.7150 7.6625 119.9207 57.9413 41.3324 179.5613 89 E 4.1710 8.2092 117.5651 58.5002 29.3852 178.3624 90 R 4.6619 7.4936 116.2216 54.8296 31.9648 176.4349 91 A 4.3626 7.4997 121.4383 51.7236 19.0878 176.9637 92 P 4.5667 0.0000 0.0000 62.3629 32.0402 177.1969 93 K 3.9655 8.6845 120.8912 58.5192 33.1130 176.2298 94 Y 4.7884 7.5304 115.2944 55.1704 40.8353 175.2289 95 G 3.9352 8.5675 109.9655 44.9658 0.0000 172.8456 96 P 3.9923 0.0000 0.0000 65.4941 31.1250 177.6050 97 G 3.8301 7.4684 106.6670 45.6922 0.0000 172.9924 98 S 4.7466 7.7755 113.6530 55.6391 64.9126 174.1113 99 E 4.0575 8.9375 126.3029 58.6866 29.5864 176.8791 100 W 4.2226 7.8529 132.9297 57.4258 30.7057 175.5319 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 P 0.00 4.27 0.00 2.06 2.14 0.00 3.63 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 1.92 2.11 0.00 4 E 8.23 4.22 0.00 2.03 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 2.24 2.34 0.00 5 T 8.07 4.45 4.24 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 1.26 0.00 0.00 6 N 8.61 5.02 0.00 3.04 2.98 0.00 0.00 5.66 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 7 E 7.77 4.97 0.00 1.86 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 2.15 2.46 0.00 8 T 8.45 4.75 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 1.29 0.00 0.00 9 L 8.67 4.09 0.00 1.59 1.70 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.94 4.47 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.45 7.81 11 L 7.66 4.91 0.00 1.67 1.52 0.92 0.63 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 12 I 8.15 4.84 1.97 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 1.53 0.84 1.21 0.00 0.00 13 G 9.24 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 0.00 0.00 0.00 14 S 8.74 4.25 0.00 4.04 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 15 D 8.03 4.51 0.00 2.83 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 16 K 8.22 4.17 0.00 1.70 2.08 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.39 7.81 17 V 8.11 3.89 2.27 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 1.23 0.00 0.00 1.25 0.00 0.00 18 Q 7.94 4.34 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.25 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 19 G 9.33 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 20 T 7.97 4.31 4.41 0.00 0.00 0.00 0.00 0.00 0.00 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 21 A 8.75 4.41 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 22 V 8.47 4.88 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 1.06 0.00 0.00 1.12 0.00 0.00 23 Y 9.51 4.96 0.00 2.84 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 24 G 8.74 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 25 P 0.00 4.19 0.00 2.02 2.12 0.00 3.63 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 1.99 2.05 0.00 26 D 8.01 4.44 0.00 2.75 2.76 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 27 G 8.20 3.84 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 0.00 0.00 0.00 28 E 8.53 4.38 0.00 2.12 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 2.30 2.26 0.00 29 K 8.61 4.01 0.00 1.61 1.63 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.20 0.89 7.81 30 I 8.23 4.12 1.72 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.59 0.63 0.00 0.00 31 G 7.08 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 0.00 0.00 0.00 0.00 32 S 8.24 5.09 0.00 4.01 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 33 I 8.76 4.44 2.25 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.03 1.09 0.00 0.00 34 E 9.46 4.38 0.00 2.04 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 0.00 2.36 2.32 0.00 35 R 7.58 4.57 0.00 1.98 1.99 0.00 2.98 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 36 V 8.04 4.56 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 0.98 0.00 0.00 0.90 0.00 0.00 *38 I 8.16 3.87 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.37 0.83 0.00 0.00 39 E 8.80 3.97 0.00 2.09 1.87 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 2.32 2.26 0.00 40 K 8.74 3.84 0.00 1.72 1.87 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.41 7.81 41 V 7.41 3.76 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 0.80 0.00 0.00 0.92 0.00 0.00 42 S 7.87 4.14 0.00 3.99 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 43 G 8.16 3.84 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 0.00 0.00 0.00 44 R 7.34 4.20 0.00 1.86 1.98 0.00 2.75 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 45 V 7.86 3.68 1.64 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 0.82 0.00 0.00 0.53 0.00 0.00 46 S 8.67 4.34 0.00 3.84 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 47 Y 6.96 5.13 0.00 3.13 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 48 A 9.38 4.86 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 49 V 9.06 4.51 2.27 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 1.01 0.00 0.00 1.13 0.00 0.00 50 L 9.20 4.89 0.00 1.92 2.01 1.04 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.18 5.40 0.00 4.23 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 52 F 8.83 5.11 0.00 3.29 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 53 G 9.09 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.09 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.96 0.00 3.05 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 56 L 8.62 4.11 0.00 1.70 1.71 0.99 1.03 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 57 G 9.47 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 0.00 0.00 0.00 0.00 58 I 7.68 4.35 1.95 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 1.55 1.52 0.94 0.00 0.00 59 G 8.98 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 60 D 7.59 5.10 0.00 2.61 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 61 D 8.48 4.73 0.00 1.58 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 0.00 0.00 0.00 0.00 62 H 8.42 5.69 0.00 3.01 3.25 0.00 5.83 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 63 Y 9.77 4.80 0.00 3.11 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 64 P 0.00 5.21 0.00 1.62 1.39 0.00 2.62 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 65 L 9.02 5.02 0.00 1.62 1.60 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.70 0.00 2.28 2.24 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 67 W 9.25 4.27 0.00 3.43 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 68 P 0.00 4.24 0.00 2.11 2.15 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 69 A 7.78 4.10 1.33 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 0.00 0.00 70 L 7.06 4.02 0.00 0.79 0.28 0.11 0.59 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 71 K 8.23 4.40 0.00 1.83 1.76 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.51 7.81 72 Y 8.83 4.45 0.00 3.21 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 73 N 8.90 4.58 0.00 2.62 2.51 0.00 0.00 6.39 7.70 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 74 V 8.54 3.60 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 0.91 0.00 0.00 1.03 0.00 0.00 75 E 8.27 4.04 0.00 1.89 1.92 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 2.26 2.45 0.00 76 L 7.98 3.72 0.00 1.11 0.52 0.58 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.65 3.62 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 0.00 78 G 5.83 3.98 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 0.00 0.00 0.00 79 Y 8.22 5.15 0.00 2.96 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 80 Q 9.61 5.13 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.45 0.00 0.00 0.00 0.00 0.00 2.24 2.60 0.00 81 V 8.58 4.49 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 0.75 0.00 0.00 0.93 0.00 0.00 *83 V 8.64 3.64 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 0.17 0.00 0.00 0.78 0.00 0.00 84 T 7.78 4.40 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 1.17 0.00 0.00 85 V 7.98 3.46 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 1.11 0.00 0.00 0.87 0.00 0.00 86 D 7.96 4.50 0.00 2.66 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 87 Q 7.77 4.16 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 88 L 7.66 3.72 0.00 1.60 1.32 0.42 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.21 4.17 0.00 2.14 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 2.37 2.62 0.00 90 R 7.49 4.66 0.00 1.88 2.00 0.00 3.20 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 91 A 7.50 4.36 1.71 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 92 P 0.00 4.57 0.00 2.32 2.06 0.00 3.82 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 1.91 1.99 0.00 93 K 8.68 3.97 0.00 1.17 1.69 0.00 0.64 0.00 0.00 1.28 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 0.79 7.81 94 Y 7.53 4.79 0.00 3.00 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 G 8.57 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 96 P 0.00 3.99 0.00 2.03 2.04 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.96 0.00 97 G 7.47 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 98 S 7.78 4.75 0.00 3.83 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 99 E 8.94 4.06 0.00 2.01 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 2.33 2.38 0.00 100 W 7.85 4.22 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.