NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 3.9262 8.2127 109.7382 45.4936 0.0000 175.6157 8 H 3.8640 8.4866 121.2745 57.4295 29.7370 175.4763 9 S 4.1282 8.2537 115.7561 61.1284 63.2420 176.0179 10 V 3.5060 7.6530 121.4780 65.9751 31.4227 177.9684 11 R 3.8862 7.8955 117.8075 59.2266 29.8426 179.2278 12 V 3.4851 7.6831 117.8986 65.9871 31.5011 177.8936 13 L 3.9615 7.9132 120.3415 58.0200 41.8922 178.7037 14 Q 4.1837 8.2044 117.2767 58.5609 28.5979 177.7899 15 E 4.0062 8.0907 121.8288 58.8727 29.6145 178.5153 16 L 4.0651 8.1085 119.4889 57.5939 41.6408 178.8131 17 N 4.0361 8.7541 117.5041 56.6698 38.9609 177.0746 18 K 3.9799 8.2770 119.9260 59.3879 32.0429 179.2605 19 Q 4.3552 8.3382 118.8344 59.1999 28.7957 179.3462 20 R 3.8759 8.2100 116.8777 59.1345 29.1768 178.6083 21 E 3.9674 7.8002 118.3929 58.3705 29.4744 178.2715 22 K 4.4294 7.3653 114.4530 55.2177 32.6357 177.1461 23 G 3.8775 7.7279 107.1274 45.9316 0.0000 174.0013 24 Q 3.8193 8.1375 119.8067 56.7843 29.1549 175.9620 25 Y 3.5472 7.9304 117.8319 59.1086 35.6314 170.3279 26 C 4.4980 7.4511 117.6723 58.4476 27.1076 173.5289 27 D 4.6861 8.7659 123.2881 54.1410 39.6803 176.1528 28 A 4.8683 8.0666 122.6450 50.4089 22.1865 174.9119 29 T 4.9097 8.5934 116.2711 60.1998 70.6215 172.2210 30 L 5.2887 9.6083 129.8372 53.0136 44.7593 174.8205 31 D 5.3789 9.4219 123.9336 52.7108 43.4214 175.0944 32 V 4.6680 8.8174 120.0707 59.3369 35.2454 175.7202 33 G 3.7548 9.0906 114.2610 47.0618 0.0000 175.5634 34 G 4.0049 8.8437 113.0306 44.6704 0.0000 172.8633 35 L 4.1046 8.1233 122.2759 54.3135 42.2342 175.9184 36 V 4.9068 8.0106 123.1121 60.0835 33.4338 175.1565 37 F 4.8816 9.8579 123.3202 55.6592 42.5403 174.1287 38 K 4.9704 8.6519 121.7114 55.4338 34.2440 175.2753 39 A 4.4778 8.7115 123.9886 51.9609 23.7891 174.3231 40 H 5.2913 9.1268 116.4193 54.2213 30.3886 176.8546 41 W 4.1494 9.8698 124.6293 59.9177 28.7547 178.7856 42 S 4.1013 8.2581 112.8244 61.5842 62.7408 176.3992 43 V 3.5561 7.7022 121.2503 65.5530 31.4693 177.8508 44 L 4.0388 8.0423 118.5609 57.7391 41.1581 179.3343 45 A 4.2248 8.2329 120.0445 54.9742 18.3565 179.1591 46 C 4.1850 7.6626 114.4782 62.0524 28.3965 174.2182 47 C 4.5327 7.6444 115.0637 58.8839 29.8723 173.0574 48 S 5.1249 7.8773 114.7979 56.1559 64.6452 174.3749 49 H 4.4759 9.2051 125.5695 58.5241 28.5559 177.7609 50 F 4.1437 8.0641 122.0358 61.3819 39.0164 177.2373 51 F 4.6779 8.5330 116.3209 60.3637 39.1960 177.5709 52 Q 4.2751 8.1332 117.8212 59.1373 28.3160 178.9640 53 R 4.1203 7.9174 118.2259 58.6118 30.0972 178.0235 54 I 4.2717 7.1497 110.2699 59.9163 38.1679 174.3714 55 Y 3.7299 6.9417 121.0691 56.6394 39.3716 173.9973 56 G 3.7907 7.4826 115.4979 46.1292 0.0000 173.6788 *61 G 3.6060 7.8975 107.4364 46.2007 0.0000 168.4078 62 S 4.2425 9.1526 126.9075 57.9553 61.8893 169.2572 63 V 4.5860 8.5364 125.2579 60.9805 34.1458 174.1933 64 V 4.8268 8.5735 127.3351 61.3463 32.9714 174.6953 65 L 4.8521 8.6851 127.8713 51.6458 44.8264 174.6454 66 P 3.9449 0.0000 0.0000 62.8066 31.6399 177.4353 67 A 4.0480 8.5864 125.2224 54.9037 18.4458 178.8962 68 G 3.9065 7.8277 102.4053 46.8756 0.0000 173.9687 69 F 4.9146 8.2071 118.3107 57.5990 40.3034 177.6401 70 A 4.1268 7.8542 123.6711 55.4052 18.1947 178.3161 71 E 4.1113 8.5137 114.6381 58.7707 29.7884 177.5015 72 I 4.4346 7.6047 108.6830 60.2230 38.5321 176.7170 73 F 4.0862 8.5787 125.4322 61.5391 39.0566 177.2607 74 G 3.4858 8.0860 104.9532 47.4802 0.0000 175.4759 75 L 3.8588 7.6506 120.6777 57.5648 41.5402 178.9594 76 L 3.7296 7.0310 118.2011 58.1558 42.2146 178.5662 77 L 3.1446 7.1019 119.9900 57.7047 41.8356 178.3978 78 D 4.3575 8.3122 119.3088 57.5145 40.7896 178.4079 79 F 4.3325 8.4322 121.1367 61.5622 39.0174 177.2066 80 F 3.9971 8.0401 116.0856 60.8120 38.9219 176.7857 81 Y 4.2925 8.1454 112.7523 59.1053 38.1732 176.0039 82 T 4.4523 8.0715 107.6036 60.1012 70.3171 175.2060 83 G 3.5428 8.4448 110.2204 45.2577 0.0000 172.3762 84 H 4.8157 7.9026 119.0806 54.0350 31.2176 173.0224 85 L 4.2638 8.4548 129.3395 53.4379 42.3436 177.2842 86 A 4.2908 8.0867 132.7600 52.1723 16.1026 176.8132 87 L 3.9323 7.0512 121.9860 54.3196 43.1084 177.7542 88 T 4.7190 7.4383 109.9370 59.5829 72.4586 174.9274 89 S 4.4941 8.9265 117.7744 61.6585 63.0702 176.5283 90 G 3.7690 8.1578 108.2590 46.2867 0.0000 174.2075 91 N 4.8235 8.0379 117.0463 52.3539 38.2103 176.3595 92 R 3.7145 7.8319 122.4647 60.1989 30.1227 177.9227 93 D 4.3795 8.0363 117.6530 57.1510 40.8354 178.7675 94 Q 3.8913 7.8818 118.2661 58.9812 28.8347 178.5750 95 V 3.3980 7.8002 119.3843 65.7100 31.4332 177.7215 96 L 3.8091 7.8565 119.9977 58.0955 41.9591 178.6848 97 L 3.8636 7.8290 119.9832 58.1673 41.9922 178.8474 98 A 3.1099 7.7612 120.4246 54.6021 18.1055 179.5042 99 A 3.8946 8.1550 119.8073 55.0542 18.4388 180.0715 100 K 3.8739 8.1388 117.0949 59.6595 31.9788 179.1572 101 E 4.0040 7.8451 118.0833 59.0365 29.3112 177.3660 102 L 3.9233 7.9999 116.7196 53.8771 42.4186 176.6651 103 R 3.8360 7.7644 117.7661 57.7670 28.1789 177.5804 104 V 4.8483 7.8572 117.9629 59.1140 31.4089 173.6155 105 P 4.2204 0.0000 0.0000 65.5743 31.5331 177.3035 106 E 4.0141 8.2955 116.1651 59.4855 29.4459 179.3005 107 A 3.5687 7.8338 120.3045 54.8671 18.4129 179.9834 108 V 3.4928 7.6696 110.8944 64.4164 31.6025 178.1971 109 E 3.9136 8.1289 119.0471 59.4091 29.4597 178.8938 110 L 3.9798 7.8216 118.7627 58.0693 41.4459 179.4133 111 C 4.1028 7.8093 115.3629 62.9759 28.1481 175.9414 112 Q 4.1549 8.2926 118.9470 58.7283 28.3785 178.2694 113 S 4.4354 8.1468 114.3708 58.3339 63.5092 174.4865 114 F 4.1242 7.3768 123.7781 58.8707 39.3501 174.3167 115 Q 4.0082 7.6486 127.5002 53.1657 30.1639 173.0542 116 P 3.9912 0.0000 0.0000 62.5844 31.2749 176.7129 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 G 8.21 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 8 H 8.49 3.86 0.00 3.34 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.25 4.13 0.00 4.06 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 10 V 7.65 3.51 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 1.05 0.00 0.00 0.92 0.00 0.00 11 R 7.90 3.89 0.00 2.00 1.92 0.00 3.17 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 12 V 7.68 3.49 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 1.01 0.00 0.00 0.79 0.00 0.00 13 L 7.91 3.96 0.00 1.84 1.62 0.79 0.72 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 14 Q 8.20 4.18 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 15 E 8.09 4.01 0.00 2.24 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 0.00 2.30 2.40 0.00 16 L 8.11 4.07 0.00 2.05 1.89 0.84 0.32 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 17 N 8.75 4.04 0.00 3.01 2.99 0.00 0.00 7.23 5.58 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 18 K 8.28 3.98 0.00 2.08 1.86 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 19 Q 8.34 4.36 0.00 2.43 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 20 R 8.21 3.88 0.00 2.07 2.04 0.00 2.58 0.00 0.00 2.90 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.46 0.00 21 E 7.80 3.97 0.00 1.99 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 2.56 2.40 0.00 22 K 7.37 4.43 0.00 1.85 1.80 0.00 2.01 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.62 7.81 23 G 7.73 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 24 Q 8.14 3.82 0.00 2.23 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.14 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 25 Y 7.93 3.55 0.00 3.26 3.11 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 26 C 7.45 4.50 0.00 3.03 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 27 D 8.77 4.69 0.00 3.11 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 28 A 8.07 4.87 0.38 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 29 T 8.59 4.91 4.27 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 1.28 0.00 0.00 30 L 9.61 5.29 0.00 1.71 1.54 1.04 0.64 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 31 D 9.42 5.38 0.00 2.67 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 32 V 8.82 4.67 1.84 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 -0.01 0.00 0.00 1.03 0.00 0.00 33 G 9.09 3.75 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 0.00 0.00 0.00 34 G 8.84 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 0.00 0.00 0.00 35 L 8.12 4.10 0.00 2.00 1.44 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.01 4.91 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 0.63 0.00 0.00 0.93 0.00 0.00 37 F 9.86 4.88 0.00 3.00 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 38 K 8.65 4.97 0.00 1.78 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.34 7.81 39 A 8.71 4.48 1.17 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 0.00 0.00 40 H 9.13 5.29 0.00 3.22 3.34 0.00 5.83 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 9.87 4.15 0.00 3.73 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 42 S 8.26 4.10 0.00 4.01 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 43 V 7.70 3.56 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 0.25 0.00 0.00 0.67 0.00 0.00 44 L 8.04 4.04 0.00 1.81 1.40 -0.06 0.47 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 45 A 8.23 4.22 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 46 C 7.66 4.18 0.00 2.95 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 47 C 7.64 4.53 0.00 1.65 2.42 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 48 S 7.88 5.12 0.00 4.24 4.40 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 49 H 9.21 4.48 0.00 3.30 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.06 4.14 0.00 3.07 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 51 F 8.53 4.68 0.00 3.36 3.44 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 52 Q 8.13 4.28 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.70 0.00 53 R 7.92 4.12 0.00 1.85 1.94 0.00 3.19 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 54 I 7.15 4.27 1.81 0.00 0.00 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 1.43 0.89 0.38 0.00 0.00 55 Y 6.94 3.73 0.00 2.76 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 G 7.48 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 *61 G 7.90 3.61 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 0.00 0.00 0.00 62 S 9.15 4.24 0.00 4.13 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 63 V 8.54 4.59 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 1.06 0.00 0.00 1.36 0.00 0.00 64 V 8.57 4.83 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 0.89 0.00 0.00 0.96 0.00 0.00 65 L 8.69 4.85 0.00 1.22 1.34 1.01 1.11 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 66 P 0.00 3.94 0.00 1.38 1.72 0.00 3.33 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.85 0.00 67 A 8.59 4.05 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 68 G 7.83 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 0.00 0.00 0.00 69 F 8.21 4.91 0.00 3.08 3.06 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 70 A 7.85 4.13 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 0.00 0.00 0.00 0.00 0.00 71 E 8.51 4.11 0.00 1.99 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 2.32 2.35 0.00 72 I 7.60 4.43 1.78 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.49 0.88 0.00 0.00 73 F 8.58 4.09 0.00 3.29 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 74 G 8.09 3.49 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 0.00 0.00 0.00 0.00 75 L 7.65 3.86 0.00 1.71 1.61 0.91 0.50 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 76 L 7.03 3.73 0.00 1.46 1.24 0.62 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.10 3.14 0.00 0.79 1.24 0.52 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.31 4.36 0.00 2.84 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 F 8.43 4.33 0.00 3.11 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 80 F 8.04 4.00 0.00 3.13 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 81 Y 8.15 4.29 0.00 2.89 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 82 T 8.07 4.45 4.27 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 1.31 0.00 0.00 83 G 8.44 3.54 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 0.00 0.00 0.00 84 H 7.90 4.82 0.00 3.16 3.26 0.00 5.74 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 85 L 8.45 4.26 0.00 1.42 1.34 0.55 0.87 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 86 A 8.09 4.29 1.24 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 0.00 0.00 0.00 87 L 7.05 3.93 0.00 1.06 0.24 0.61 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.44 4.72 4.27 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 1.19 0.00 0.00 89 S 8.93 4.49 0.00 4.12 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 0.00 90 G 8.16 3.77 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 0.00 0.00 0.00 0.00 91 N 8.04 4.82 0.00 2.89 2.99 0.00 0.00 6.43 7.14 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 92 R 7.83 3.71 0.00 2.06 2.03 0.00 3.31 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.06 0.00 93 D 8.04 4.38 0.00 2.72 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 0.00 94 Q 7.88 3.89 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 95 V 7.80 3.40 1.91 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 0.86 0.00 0.00 0.82 0.00 0.00 96 L 7.86 3.81 0.00 1.90 1.74 0.90 0.31 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 97 L 7.83 3.86 0.00 1.86 1.73 0.95 1.27 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 98 A 7.76 3.11 0.52 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 0.00 0.00 99 A 8.15 3.89 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 0.00 100 K 8.14 3.87 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 101 E 7.85 4.00 0.00 2.14 2.18 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 2.47 2.36 0.00 102 L 8.00 3.92 0.00 1.91 1.70 0.85 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.76 3.84 0.00 2.28 2.09 0.00 3.33 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 104 V 7.86 4.85 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 1.53 0.00 0.00 1.24 0.00 0.00 105 P 0.00 4.22 0.00 2.21 2.16 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 106 E 8.30 4.01 0.00 2.14 2.29 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 2.56 2.45 0.00 107 A 7.83 3.57 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 0.00 108 V 7.67 3.49 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 0.78 0.00 0.00 0.94 0.00 0.00 109 E 8.13 3.91 0.00 2.19 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 0.00 2.32 2.37 0.00 110 L 7.82 3.98 0.00 1.70 1.58 0.74 1.00 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 0.00 111 C 7.81 4.10 0.00 3.02 2.93 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 Q 8.29 4.15 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 113 S 8.15 4.44 0.00 3.96 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 0.00 114 F 7.38 4.12 0.00 3.09 3.15 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 0.00 115 Q 7.65 4.01 0.00 1.84 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 116 P 0.00 3.99 0.00 1.95 1.91 0.00 3.48 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.