NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3899 8.2516 119.7013 54.8822 33.4270 174.6118 2 V 3.7577 8.0685 122.6769 62.4798 32.5542 173.5844 3 K 4.5035 9.4071 128.0195 55.0277 34.1067 175.0835 4 Q 4.5773 8.7536 127.2461 55.8464 29.9400 174.7779 5 I 4.4981 8.6153 127.6877 59.3135 39.2097 175.4042 6 E 4.7571 8.5748 126.1834 54.8769 31.2087 175.8002 7 S 4.6170 7.6381 111.8587 56.1746 66.6207 174.9635 8 K 3.9642 8.5079 123.7006 59.9385 31.9166 178.9736 9 T 3.8585 8.0114 115.3116 66.8308 68.4027 176.1493 10 A 3.9765 8.3142 122.7065 54.9580 18.3581 179.3985 11 F 3.9610 8.2992 119.1542 61.6127 39.4262 177.4180 12 Q 3.8974 8.4151 117.7264 59.0427 28.6243 178.6452 13 E 3.8873 8.4505 119.5719 59.2534 29.2293 179.3515 14 A 3.8989 7.8120 119.9551 55.1376 18.8485 179.4205 15 L 3.8221 7.4906 117.5138 57.9239 41.3985 179.5188 16 D 4.3814 8.1425 117.7719 56.4779 39.4359 177.5718 17 A 4.4477 7.5657 119.4267 52.1441 19.0009 178.5821 18 A 4.1820 8.0050 121.9246 52.2947 18.6250 179.6417 19 G 3.6539 7.7347 103.5623 47.2660 0.0000 175.0049 20 D 4.6361 8.8027 123.9954 53.1243 39.8175 176.5127 21 K 4.2601 7.8304 120.1683 55.6860 33.0404 176.4951 22 L 4.3123 8.3558 124.0838 55.3855 43.5573 175.5593 23 V 4.6756 8.9445 125.8382 61.1377 34.0663 174.1021 24 V 4.4352 8.5010 128.5279 61.0214 33.7718 174.2355 25 V 4.7234 8.6224 128.2583 61.1248 34.1437 173.5494 26 D 4.5270 8.8099 128.6535 52.6572 42.5439 174.9482 27 F 4.9295 8.6870 126.7796 56.6877 40.5676 175.6130 28 S 4.7234 8.9057 118.7342 57.0064 68.0918 172.5546 29 A 4.8308 7.7237 120.5672 50.3482 21.7693 177.7009 30 T 3.8188 8.5133 110.4140 63.7485 69.1504 175.3417 31 W 4.4621 7.3875 117.1781 56.8267 28.9446 176.1015 32 C 4.5855 7.3734 120.6758 57.4781 31.5401 173.8268 33 G 3.7653 8.6047 115.0692 47.7452 0.0000 171.7242 34 P 4.2863 0.0000 0.0000 64.9913 31.1602 178.4733 35 C 4.0746 7.9961 115.2267 62.9104 27.8567 176.1932 36 K 4.0137 7.8413 118.6213 59.7114 31.6672 179.1173 37 M 4.2493 8.1224 118.5446 58.0145 32.1237 177.9359 38 I 4.2007 8.0816 117.5866 62.0259 38.2680 177.3809 39 K 4.0333 7.8002 120.9959 59.8464 32.0033 176.6376 40 P 4.3181 0.0000 0.0000 65.5949 31.1732 178.3758 41 F 4.4158 8.3281 120.4396 60.6610 39.3970 176.7401 42 F 4.1096 8.8548 120.7494 61.6752 39.1526 176.8274 43 H 3.8495 8.6372 116.1671 58.6600 28.5515 177.8086 44 S 4.0193 8.3709 116.4891 61.5837 62.6701 176.6546 45 L 3.9858 7.6038 122.9861 57.2577 40.7635 179.6420 46 S 2.7900 6.7834 114.0944 60.7439 62.4267 176.3889 47 E 3.9229 7.2979 120.9575 58.5162 29.3037 178.7310 48 K 3.9594 7.6194 119.1999 58.3707 33.9287 177.8244 49 Y 4.5916 8.0297 119.6818 56.5457 35.0601 176.3994 50 S 4.3626 8.0339 115.1719 59.7336 64.1458 175.5325 51 N 4.8771 8.1733 117.7026 52.4561 37.3879 174.1564 52 V 4.4776 7.6951 118.0430 61.6139 34.1953 174.9287 53 I 4.3510 8.5200 128.1721 60.4212 38.7595 174.5545 54 F 5.0948 8.9772 125.9992 55.6717 41.3233 174.5246 55 L 5.3366 9.2369 124.0824 52.9383 44.9076 175.2182 56 E 4.9570 9.1961 122.4819 54.4782 32.6280 175.0689 57 V 4.4284 8.4064 124.5825 60.8429 34.4293 174.0912 58 D 4.9134 8.6007 128.3421 53.5841 41.6423 177.3129 59 V 3.7270 8.5319 120.8195 64.4243 31.7874 178.2499 60 D 4.5766 8.4511 118.9942 56.7565 40.8775 177.4138 61 D 4.5310 8.0596 118.6361 56.5762 41.7279 176.5044 62 C 4.8861 7.6150 114.3190 57.7337 28.8575 174.8630 63 Q 4.0886 7.9445 121.9440 58.7411 28.8390 178.2414 64 D 4.2974 8.0300 119.8640 56.5729 39.1588 178.7806 65 V 3.3726 7.6083 117.9356 65.2609 31.8604 177.2248 66 A 3.8001 8.1014 120.6844 55.1192 17.9931 179.5888 67 S 3.9651 7.8780 110.3205 61.2312 62.6581 177.8744 68 E 4.0906 8.1040 121.3994 55.7637 29.6836 176.4529 *70 E 4.0751 8.1516 113.5140 55.4825 31.0784 176.5450 71 V 3.5845 7.4081 118.7921 62.7319 32.2860 174.8366 72 K 4.4047 8.6558 124.6541 57.5184 34.4051 176.1153 73 C 4.9278 7.8268 113.5340 57.9948 30.7733 172.8585 74 M 4.5130 8.2899 121.7183 52.6964 33.8969 174.3502 75 P 4.4947 0.0000 0.0000 62.9051 33.4211 174.9668 76 T 4.7426 8.1574 117.0281 61.7045 71.9162 173.0216 77 F 5.0234 8.5799 124.6218 55.7021 41.4751 174.6242 78 Q 5.1151 8.7421 122.3390 53.9954 32.2677 174.5669 79 F 5.1876 8.7155 120.5217 55.6959 42.6121 174.1563 80 F 5.4264 9.2656 121.8104 55.7887 42.9940 174.0189 81 K 4.6091 9.6364 122.1842 55.9783 36.0136 175.4261 82 K 3.7116 9.6949 125.6163 57.7255 29.5289 175.7067 83 G 4.0024 8.3538 102.1113 45.7298 0.0000 172.8292 84 Q 4.6104 7.8647 117.7571 53.3870 32.2512 174.6716 85 K 4.2170 8.7993 122.8383 56.5013 32.1461 176.7172 86 V 4.3106 8.1066 119.6896 60.9442 33.0819 175.8726 87 G 4.1492 7.7004 106.0720 46.1472 0.0000 172.0166 88 E 5.6331 8.9135 120.2870 55.1773 32.7281 173.8532 89 F 5.2772 9.0550 119.8357 55.9169 41.8904 172.8131 90 S 5.1204 9.1929 113.5205 56.9331 66.0220 174.2832 91 G 4.0667 9.1365 107.4829 45.8427 0.0000 174.4645 92 A 4.5239 8.2807 125.0083 50.8882 17.3864 179.0143 93 N 4.7467 7.9720 120.4699 51.2453 39.5731 174.4513 94 K 4.0449 8.2772 127.5136 59.2481 32.2652 178.4844 95 E 3.9255 8.1145 118.9846 59.2923 29.6321 178.6247 96 K 3.7675 8.3707 119.5928 59.1209 32.1720 178.5051 97 L 4.2645 8.1435 120.6572 58.3718 42.0448 178.6311 98 E 3.9764 8.6538 119.1360 59.2367 29.6277 178.4859 99 A 3.9814 8.2824 121.0149 55.5153 18.1644 179.8349 100 T 3.6189 7.6851 113.2665 66.5534 68.7587 176.8066 101 I 3.7215 7.6992 121.6951 64.3058 36.6096 177.8869 102 N 4.1522 8.1587 118.3552 56.6922 38.6082 176.6339 103 E 4.0810 8.0369 117.0704 58.2595 29.8133 177.8565 104 L 4.4843 7.2180 117.8442 54.0546 42.3924 176.4471 105 V 3.7515 7.2933 123.7008 63.3962 31.4297 175.4130 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 1 M 8.25 4.39 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 2 V 8.07 3.76 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 0.94 0.00 0.00 0.49 0.00 0.00 3 K 9.41 4.50 0.00 1.69 1.73 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.52 7.81 4 Q 8.75 4.58 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 5 I 8.62 4.50 1.91 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 1.42 1.09 1.06 0.00 0.00 6 E 8.57 4.76 0.00 1.90 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 2.39 2.26 0.00 7 S 7.64 4.62 0.00 4.01 3.92 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 8 K 8.51 3.96 0.00 1.99 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.56 7.81 9 T 8.01 3.86 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 1.22 0.00 0.00 10 A 8.31 3.98 1.34 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 0.00 0.00 0.00 11 F 8.30 3.96 0.00 3.20 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 12 Q 8.42 3.90 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.71 0.00 13 E 8.45 3.89 0.00 2.02 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 2.31 2.45 0.00 14 A 7.81 3.90 1.21 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 0.00 0.00 15 L 7.49 3.82 0.00 1.34 1.40 -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.14 4.38 0.00 2.77 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 17 A 7.57 4.45 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 18 A 8.00 4.18 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 19 G 7.73 3.65 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 0.00 0.00 0.00 20 D 8.80 4.64 0.00 2.80 2.79 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 21 K 7.83 4.26 0.00 1.90 1.78 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.37 7.81 22 L 8.36 4.31 0.00 1.94 1.49 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.94 4.68 2.15 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 0.86 0.00 0.00 0.87 0.00 0.00 24 V 8.50 4.44 1.48 0.00 0.00 0.00 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 0.59 0.00 0.00 25 V 8.62 4.72 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 0.25 0.00 0.00 1.08 0.00 0.00 26 D 8.81 4.53 0.00 1.58 1.77 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 27 F 8.69 4.93 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 28 S 8.91 4.72 0.00 3.52 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 4.83 0.14 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 30 T 8.51 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 1.24 0.00 0.00 31 W 7.39 4.46 0.00 3.55 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 32 C 7.37 4.59 0.00 2.08 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 33 G 8.60 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 34 P 0.00 4.29 0.00 2.19 2.16 0.00 3.63 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 2.15 2.21 0.00 35 C 8.00 4.07 0.00 3.01 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 36 K 7.84 4.01 0.00 1.89 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 37 M 8.12 4.25 0.00 2.02 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.57 0.00 38 I 8.08 4.20 2.04 0.00 0.00 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 1.79 1.95 1.19 0.00 0.00 39 K 7.80 4.03 0.00 2.05 2.00 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.81 7.81 40 P 0.00 4.32 0.00 2.30 2.15 0.00 3.97 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 41 F 8.33 4.42 0.00 3.17 3.39 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 42 F 8.85 4.11 0.00 3.34 3.29 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 43 H 8.64 3.85 0.00 3.45 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.37 4.02 0.00 3.97 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 45 L 7.60 3.99 0.00 1.46 1.79 0.69 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.78 2.79 0.00 3.13 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 47 E 7.30 3.92 0.00 1.96 1.94 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 2.23 2.34 0.00 48 K 7.62 3.96 0.00 1.58 1.75 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.59 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.45 1.10 7.81 49 Y 8.03 4.59 0.00 3.33 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 50 S 8.03 4.36 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 51 N 8.17 4.88 0.00 2.88 2.96 0.00 0.00 5.81 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 52 V 7.70 4.48 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 0.38 0.00 0.00 0.95 0.00 0.00 53 I 8.52 4.35 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.88 0.00 0.00 54 F 8.98 5.09 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 55 L 9.24 5.34 0.00 1.52 1.53 0.70 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.20 4.96 0.00 1.94 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 2.12 2.51 0.00 57 V 8.41 4.43 1.48 0.00 0.00 0.00 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 0.70 0.00 0.00 58 D 8.60 4.91 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 59 V 8.53 3.73 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 0.87 0.00 0.00 0.95 0.00 0.00 60 D 8.45 4.58 0.00 2.84 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 61 D 8.06 4.53 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.62 4.89 0.00 2.95 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 63 Q 7.94 4.09 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 64 D 8.03 4.30 0.00 2.84 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 65 V 7.61 3.37 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 0.13 0.00 0.00 0.75 0.00 0.00 66 A 8.10 3.80 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 67 S 7.88 3.97 0.00 3.83 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 68 E 8.10 4.09 0.00 1.98 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 2.33 2.41 0.00 *70 E 8.15 4.08 0.00 1.97 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 2.35 2.23 0.00 71 V 7.41 3.58 1.81 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 0.51 0.00 0.00 -0.26 0.00 0.00 72 K 8.66 4.40 0.00 1.72 1.77 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.50 7.81 73 C 7.83 4.93 0.00 2.93 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 74 M 8.29 4.51 0.00 1.55 1.69 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.36 0.00 75 P 0.00 4.49 0.00 1.34 1.89 0.00 3.64 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 2.02 2.04 0.00 76 T 8.16 4.74 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 1.13 0.00 0.00 77 F 8.58 5.02 0.00 2.18 2.43 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 78 Q 8.74 5.12 0.00 2.23 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 79 F 8.72 5.19 0.00 2.93 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 80 F 9.27 5.43 0.00 2.91 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 81 K 9.64 4.61 0.00 1.84 1.63 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.58 7.81 82 K 9.69 3.71 0.00 1.91 1.82 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.43 7.81 83 G 8.35 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 84 Q 7.86 4.61 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 85 K 8.80 4.22 0.00 1.82 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 0.72 7.81 86 V 8.11 4.31 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 0.73 0.00 0.00 0.95 0.00 0.00 87 G 7.70 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 0.00 0.00 0.00 88 E 8.91 5.63 0.00 1.98 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 2.25 2.45 0.00 89 F 9.05 5.28 0.00 3.26 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 90 S 9.19 5.12 0.00 3.99 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 91 G 9.14 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 92 A 8.28 4.52 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 93 N 7.97 4.75 0.00 2.85 2.80 0.00 0.00 7.06 6.58 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 94 K 8.28 4.04 0.00 1.54 1.01 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.33 7.81 95 E 8.11 3.93 0.00 1.99 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 0.00 2.36 2.37 0.00 96 K 8.37 3.77 0.00 1.70 1.66 0.00 1.28 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.39 1.02 7.81 97 L 8.14 4.26 0.00 2.00 2.05 0.68 0.68 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 E 8.65 3.98 0.00 2.39 2.12 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 2.46 2.48 0.00 99 A 8.28 3.98 1.34 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 0.00 0.00 0.00 100 T 7.69 3.62 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 -0.02 0.00 0.00 101 I 7.70 3.72 1.69 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 1.32 1.03 0.23 0.00 0.00 102 N 8.16 4.15 0.00 2.92 2.94 0.00 0.00 7.04 7.61 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 0.00 103 E 8.04 4.08 0.00 2.13 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 2.42 2.26 0.00 104 L 7.22 4.48 0.00 1.59 1.70 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.29 3.75 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 0.79 0.00 0.00 1.05 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.