NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.1546 8.2531 123.5836 52.3543 19.9538 176.2862 7 G 3.7276 8.6913 96.6685 44.8861 0.0000 171.9706 8 L 4.2491 8.6081 116.1041 53.0443 46.8309 170.4333 9 P 4.0932 0.0000 0.0000 60.7269 33.4278 177.3341 10 R 3.9718 8.6724 121.2082 59.0451 30.0501 178.9942 11 R 4.1854 8.1089 118.2797 59.8058 29.9269 178.3725 12 I 3.8539 7.7696 118.5308 64.5035 37.3215 178.2272 13 I 3.7348 7.6614 120.2452 64.3669 36.9417 178.2887 14 K 3.9786 8.9497 121.4722 59.6352 31.9482 178.6993 15 E 3.9962 8.6579 119.1536 59.8263 29.5482 179.4240 16 T 4.0942 8.1115 115.5876 66.3898 68.3056 176.6351 17 Q 4.0164 7.6121 119.3749 58.9577 29.1481 178.3209 18 R 3.7008 7.9889 119.0063 58.9097 30.0494 178.3981 19 L 4.0905 7.5625 119.3560 57.4022 42.3135 178.0408 20 L 3.9619 7.5264 116.7510 58.0109 41.7508 178.6131 21 A 4.1116 8.3713 120.5371 54.9749 18.4045 177.5650 22 E 4.4752 8.2323 117.1566 54.6983 30.3668 172.7635 23 P 5.3155 0.0000 0.0000 60.3711 33.1548 175.5655 24 V 4.1138 7.9006 118.7200 60.7578 32.4464 173.3476 25 P 4.3063 0.0000 0.0000 64.3858 31.7817 176.9460 26 G 3.9921 9.1120 110.5731 45.3340 0.0000 172.2468 27 I 4.9138 8.1258 120.9799 59.3121 39.4437 175.7398 28 K 4.4128 8.5353 128.2588 55.6423 34.2577 175.2988 29 A 4.8185 8.1635 119.6194 51.5941 21.8547 175.8939 30 E 4.8475 8.4464 122.2857 54.5631 34.6177 173.3167 31 P 3.4731 0.0000 0.0000 62.0121 32.3463 175.5325 32 D 4.4758 8.8267 123.8557 54.3612 41.4105 176.6619 33 E 3.9491 9.2128 125.4178 58.7983 29.3386 177.8581 34 S 4.5247 7.6230 110.8607 57.9434 64.2447 173.7539 35 N 4.6609 9.9772 120.2055 52.0482 39.8309 174.4095 36 A 3.9662 8.5754 129.2967 54.4233 18.8497 177.9339 37 R 4.4296 8.0034 113.5767 56.7018 31.7924 175.0918 38 Y 5.2386 8.2231 122.1016 55.7915 41.2144 174.0788 39 F 4.7973 9.1828 125.8709 55.4610 42.1535 174.6295 40 H 4.3810 8.3202 120.7860 56.2564 29.5061 174.8898 41 V 4.6580 8.1934 124.1111 61.4248 34.2052 174.6861 42 V 4.9237 8.4682 123.8780 61.2963 35.0119 174.1658 43 I 4.8348 8.6909 127.3634 59.4122 40.3628 174.5053 44 A 4.5304 8.4652 127.2347 50.9757 19.6082 177.1699 45 G 4.0717 9.5692 110.6934 46.1339 0.0000 171.6688 46 P 4.5397 0.0000 0.0000 62.2975 32.2134 176.0555 47 Q 4.5291 8.4120 119.1177 57.0248 29.4161 176.3486 48 D 4.9541 10.6100 122.3722 54.6561 40.7930 175.3144 49 S 4.5506 7.6516 113.0879 57.3837 63.5457 173.4531 50 P 4.3121 0.0000 0.0000 64.5969 31.2403 177.3607 51 F 4.6245 8.6422 115.2835 58.2812 38.7342 179.4281 52 E 3.2931 7.3758 117.5472 56.9975 31.8387 176.5468 53 G 4.0176 8.0722 107.0722 45.5316 0.0000 172.5148 54 G 4.4291 8.1783 108.7285 44.4776 0.0000 171.9676 55 T 4.9471 8.0153 109.8528 60.3338 71.9242 173.5546 56 F 4.8084 8.6998 125.0666 55.2024 41.3039 175.0416 57 K 4.7152 8.7912 124.1705 56.5525 33.2366 176.3764 58 L 5.4236 8.6543 123.0432 52.8769 46.3583 174.9534 59 E 4.6343 8.5601 116.5707 54.7824 33.4523 174.1826 60 L 5.1414 7.9928 122.7520 53.4682 45.7449 174.8956 61 F 5.5685 9.2000 126.8605 56.5532 43.7348 173.2669 62 L 4.4599 7.2852 122.6040 51.8696 43.3936 175.1560 63 P 4.0599 0.0000 0.0000 63.2118 31.7051 179.2798 64 E 3.3584 7.2036 118.4608 57.9625 31.8960 177.1405 65 E 4.4686 7.7811 112.9968 55.9055 30.5460 175.1419 66 Y 4.6763 8.0010 122.5543 58.0408 39.1689 174.2684 67 P 4.9372 0.0000 0.0000 63.2534 31.7203 176.9987 68 M 4.2354 10.4521 120.4411 58.7504 32.0835 177.3503 69 A 3.9819 8.1186 119.5055 52.1023 18.9274 177.0090 70 A 2.0000 7.4954 123.8105 50.5702 18.9022 175.7364 71 P 4.1982 0.0000 0.0000 62.2542 32.5203 176.7054 72 K 4.2035 9.1442 123.0205 56.0963 32.9298 176.1734 73 V 4.6109 8.2194 124.9967 60.9776 34.3017 174.7965 74 R 4.8270 8.5540 126.9161 54.8369 33.6481 174.3705 75 F 4.5098 9.5203 125.5364 58.1984 39.9594 175.6198 76 M 4.8571 9.2751 119.2102 55.4039 33.8100 175.9940 77 T 4.6707 8.1254 115.0477 61.5974 70.8051 174.4679 78 K 4.0703 8.4227 126.0477 56.1411 32.7116 176.0135 79 I 4.8846 8.2483 125.1671 59.2479 41.0224 173.8609 80 Y 4.1407 8.1939 124.0629 56.3420 40.1258 174.1415 81 H 4.2234 7.5539 123.6403 54.6666 32.6049 172.5860 82 P 4.2730 0.0000 0.0000 64.0357 31.2926 176.4542 83 N 4.8712 8.0637 114.8997 52.5511 39.5524 173.6282 84 V 5.4072 7.8481 117.0459 60.1562 34.6688 173.5994 85 D 4.8570 7.9502 121.2001 51.5104 42.4601 176.2520 86 K 4.1610 8.6615 117.6289 58.8584 32.0801 178.1760 87 L 4.4580 8.2277 117.1690 54.3941 41.9983 176.7491 88 G 4.2731 8.8638 107.2193 47.7517 0.0000 173.7488 89 R 4.8973 8.0124 116.4177 53.9871 33.5353 174.8703 90 I 4.9948 8.2824 122.3194 59.7687 39.0839 174.6635 91 C 4.9031 9.0618 122.3006 56.7772 32.2482 173.5475 92 L 3.9387 8.6296 117.7122 55.8436 45.4900 176.5041 93 D 3.9581 8.3037 122.2507 56.5482 42.1701 178.3402 94 I 4.3168 7.3893 115.1606 62.5949 38.1457 176.9756 95 L 4.1218 8.2313 120.5247 55.8883 41.5770 176.2970 96 K 4.6135 8.3745 121.0933 56.7010 40.3500 177.4095 97 D 4.4221 7.5511 120.3852 57.2711 41.5831 179.7567 98 K 4.6143 7.6933 117.1119 55.7772 32.8401 176.6534 99 W 4.8408 7.9155 127.8027 57.7823 31.5193 174.9120 100 S 4.2562 7.4059 115.9000 55.7154 64.9208 172.6965 101 P 3.8718 0.0000 0.0000 63.2459 31.7152 177.0962 102 A 3.8300 7.2237 122.0678 54.7312 18.3638 177.8985 103 L 4.3001 6.9824 116.0444 54.1070 42.8903 174.8612 104 Q 4.9780 9.1868 116.0673 54.2713 31.5452 174.8964 105 I 3.9047 8.3015 117.8755 65.2172 36.8971 178.1832 106 R 3.5847 8.0620 118.4262 59.8384 29.7326 178.5264 107 T 3.8457 8.9850 116.5199 67.0484 68.3724 176.0984 108 V 3.4885 8.0873 119.1064 65.9421 31.1418 177.4628 109 L 3.8141 9.1423 119.0573 58.1913 41.5775 179.8920 110 L 3.9654 7.8392 117.0855 57.8214 41.8275 179.4426 111 S 4.2507 8.0086 115.0301 61.8607 62.8456 176.7733 112 I 3.6159 7.4123 122.0792 64.5241 36.6009 178.2191 113 Q 3.9803 7.5920 118.8506 58.2196 28.9982 177.7932 114 A 4.1260 7.9230 122.1670 55.0661 18.8604 178.9513 115 L 3.7089 7.7546 118.4584 58.5735 41.9162 178.8189 116 L 3.4884 7.2452 117.5674 57.3403 41.7043 178.9871 117 S 4.8116 8.0345 110.1585 57.7020 64.9873 174.1446 118 A 4.6768 7.5671 123.7327 49.5867 18.6728 174.3163 119 P 4.1475 0.0000 0.0000 62.3554 32.2467 176.8479 120 N 4.5694 7.9789 120.5904 50.4546 38.5316 172.5686 121 P 4.1401 0.0000 0.0000 63.3938 32.0252 177.7137 122 D 4.2846 8.2680 109.5165 54.9217 37.1486 172.3522 123 D 4.6621 7.8043 126.1931 54.3363 44.4747 174.7568 124 P 4.4460 0.0000 0.0000 61.2694 33.6953 173.8654 *127 N 4.4618 8.2831 114.6364 53.8751 38.1864 176.2122 128 D 4.1718 7.1365 115.2785 55.8913 41.9920 179.1423 129 V 3.8289 7.7100 115.8264 65.0844 31.6571 178.1122 130 A 4.0354 7.8975 119.4529 54.8795 18.3651 178.8324 131 E 4.0329 8.5203 118.3516 59.8220 29.1419 179.1974 132 Q 3.9941 8.1054 117.5622 58.5145 28.6291 177.9909 133 W 4.4083 7.7971 128.3795 60.0859 30.7035 176.9802 134 K 4.4735 8.2611 117.0046 56.8550 32.3429 177.0641 135 T 4.5200 7.7291 107.1845 61.8789 71.4931 174.1079 136 N 4.8239 9.6916 120.6103 55.0665 38.7212 175.1549 137 E 3.0189 6.5198 114.4328 56.2786 32.7233 176.9807 138 A 4.0254 7.8962 118.9315 55.6590 19.1216 179.5565 139 Q 3.8647 7.8853 116.5854 58.7206 29.1170 177.7948 140 A 3.8025 8.2773 122.3224 54.5073 18.2052 179.7665 141 I 3.1556 7.0514 118.5032 64.3532 37.1808 177.8121 142 E 3.8466 8.0579 119.6087 59.7464 29.1173 178.9655 143 T 3.6101 7.5178 115.1420 66.5915 68.5202 176.2686 144 A 3.7673 7.7066 122.6944 55.3531 18.2809 179.9556 145 R 3.9500 8.3430 116.6854 59.1527 30.0591 178.8125 146 A 4.0448 8.1938 120.8686 55.2942 18.2713 179.6955 147 W 4.4630 8.6466 117.1054 60.0075 29.1269 178.3545 148 T 4.2401 8.3679 115.8358 67.4363 67.7183 176.3031 149 R 4.0590 8.2491 119.8157 59.3806 30.2932 178.7631 150 L 4.0275 8.0422 119.3482 57.4906 42.1517 177.1179 151 Y 4.8671 8.8149 112.3747 57.7129 39.1894 175.6381 152 A 4.9600 8.3748 120.4996 50.5822 20.7308 175.5376 153 M 4.8912 7.8399 117.0857 55.4431 34.6992 175.3564 154 N 4.1504 8.5764 116.5691 54.1073 36.6599 174.0512 155 N 4.7854 7.7831 115.2606 51.0095 38.4835 175.1306 156 I 3.8708 8.3876 123.1556 61.5496 37.1295 175.9262 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 6 A 8.25 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.69 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 0.00 0.00 0.00 8 L 8.61 4.25 0.00 1.55 1.52 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.09 0.00 2.27 1.95 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 10 R 8.67 3.97 0.00 1.82 1.98 0.00 3.32 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 11 R 8.11 4.19 0.00 1.84 1.95 0.00 3.09 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 12 I 7.77 3.85 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.69 1.03 0.00 0.00 13 I 7.66 3.73 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.94 0.00 0.00 14 K 8.95 3.98 0.00 1.72 1.94 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 15 E 8.66 4.00 0.00 2.10 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 2.39 2.59 0.00 16 T 8.11 4.09 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 1.29 0.00 0.00 17 Q 7.61 4.02 0.00 2.53 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 18 R 7.99 3.70 0.00 2.00 2.04 0.00 3.17 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 19 L 7.56 4.09 0.00 1.95 1.68 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.53 3.96 0.00 1.71 1.77 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.37 4.11 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 22 E 8.23 4.48 0.00 1.84 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 2.23 2.28 0.00 23 P 0.00 5.32 0.00 2.09 2.02 0.00 3.78 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 24 V 7.90 4.11 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 1.01 0.00 0.00 0.91 0.00 0.00 25 P 0.00 4.31 0.00 2.11 2.01 0.00 4.05 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 2.04 1.99 0.00 26 G 9.11 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 0.00 0.00 0.00 27 I 8.13 4.91 1.87 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 1.11 0.80 0.95 0.00 0.00 28 K 8.54 4.41 0.00 1.84 1.70 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 29 A 8.16 4.82 1.22 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 30 E 8.45 4.85 0.00 1.89 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 2.28 2.31 0.00 31 P 0.00 3.47 0.00 1.78 1.62 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 32 D 8.83 4.48 0.00 3.00 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 33 E 9.21 3.95 0.00 2.11 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 2.31 2.33 0.00 34 S 7.62 4.52 0.00 4.10 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 35 N 9.98 4.66 0.00 2.72 2.70 0.00 0.00 6.97 7.79 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 36 A 8.58 3.97 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 37 R 8.00 4.43 0.00 1.76 1.86 0.00 3.10 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 38 Y 8.22 5.24 0.00 3.15 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 39 F 9.18 4.80 0.00 2.92 2.81 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 40 H 8.32 4.38 0.00 3.17 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.19 4.66 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 0.89 0.00 0.00 0.84 0.00 0.00 42 V 8.47 4.92 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 0.97 0.00 0.00 0.97 0.00 0.00 43 I 8.69 4.83 1.99 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.21 0.96 0.00 0.00 44 A 8.47 4.53 1.37 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 0.00 0.00 0.00 45 G 9.57 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 46 P 0.00 4.54 0.00 2.28 2.08 0.00 3.66 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 47 Q 8.41 4.53 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.82 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 48 D 10.61 4.95 0.00 2.90 2.96 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 49 S 7.65 4.55 0.00 4.59 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 50 P 0.00 4.31 0.00 1.31 1.90 0.00 3.94 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 51 F 8.64 4.62 0.00 3.46 3.67 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 0.00 0.00 0.00 0.00 52 E 7.38 3.29 0.00 2.07 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 2.36 2.39 0.00 53 G 8.07 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 0.00 0.00 0.00 54 G 8.18 4.43 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 0.00 0.00 0.00 55 T 8.02 4.95 4.21 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 1.19 0.00 0.00 56 F 8.70 4.81 0.00 3.31 3.37 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 0.00 57 K 8.79 4.72 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.99 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.55 7.81 58 L 8.65 5.42 0.00 1.41 1.25 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.56 4.63 0.00 1.71 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 2.22 2.24 0.00 60 L 7.99 5.14 0.00 1.45 1.33 0.64 0.33 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 61 F 9.20 5.57 0.00 3.02 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 L 7.29 4.46 0.00 1.16 1.09 0.79 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.06 0.00 2.28 2.09 0.00 3.36 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 64 E 7.20 3.36 0.00 1.98 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 2.30 2.43 0.00 65 E 7.78 4.47 0.00 2.20 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 0.00 2.35 2.27 0.00 66 Y 8.00 4.68 0.00 2.99 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 67 P 0.00 4.94 0.00 1.89 1.01 0.00 3.67 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 68 M 10.45 4.24 0.00 2.10 2.32 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 2.73 0.00 69 A 8.12 3.98 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 70 A 7.50 2.00 0.09 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 0.00 0.00 71 P 0.00 4.20 0.00 1.65 1.60 0.00 2.85 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 72 K 9.14 4.20 0.00 1.81 1.79 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.37 7.81 73 V 8.22 4.61 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 0.61 0.00 0.00 0.85 0.00 0.00 74 R 8.55 4.83 0.00 1.92 1.70 0.00 3.39 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 75 F 9.52 4.51 0.00 3.03 3.07 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 76 M 9.28 4.86 0.00 1.94 2.14 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 2.59 2.55 0.00 77 T 8.13 4.67 4.61 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 1.50 0.00 0.00 78 K 8.42 4.07 0.00 1.25 0.74 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.47 7.81 79 I 8.25 4.88 1.39 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.92 -0.11 0.00 0.00 80 Y 8.19 4.14 0.00 1.43 1.78 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 81 H 7.55 4.22 0.00 3.09 2.83 0.00 5.92 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.27 0.00 1.73 1.91 0.00 2.52 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.48 0.00 83 N 8.06 4.87 0.00 2.72 2.86 0.00 0.00 6.50 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 84 V 7.85 5.41 1.78 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 0.57 0.00 0.00 0.71 0.00 0.00 85 D 7.95 4.86 0.00 2.80 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 86 K 8.66 4.16 0.00 1.82 1.99 0.00 1.88 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.47 7.81 87 L 8.23 4.46 0.00 1.66 1.71 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.86 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 0.00 0.00 0.00 0.00 89 R 8.01 4.90 0.00 2.20 1.80 0.00 3.11 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 90 I 8.28 4.99 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.89 0.00 0.00 91 C 9.06 4.90 0.00 2.85 2.87 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 92 L 8.63 3.94 0.00 1.54 1.54 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.30 3.96 0.00 2.77 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 94 I 7.39 4.32 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 1.48 1.10 0.95 0.00 0.00 95 L 8.23 4.12 0.00 1.66 1.66 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.37 4.61 0.00 1.66 1.59 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.41 7.81 97 D 7.55 4.42 0.00 2.73 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 98 K 7.69 4.61 0.00 1.84 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.42 7.81 99 W 7.92 4.84 0.00 3.26 2.98 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 0.00 100 S 7.41 4.26 0.00 3.62 3.30 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 0.00 101 P 0.00 3.87 0.00 1.98 2.14 0.00 3.28 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 102 A 7.22 3.83 1.13 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 0.00 103 L 6.98 4.30 0.00 1.53 1.59 0.74 0.85 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 0.00 104 Q 9.19 4.98 0.00 2.63 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 105 I 8.30 3.90 1.91 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.76 0.56 0.00 0.00 106 R 8.06 3.58 0.00 1.85 1.93 0.00 3.17 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 107 T 8.98 3.85 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 1.23 0.00 0.00 108 V 8.09 3.49 2.24 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 0.96 0.00 0.00 1.02 0.00 0.00 109 L 9.14 3.81 0.00 1.70 1.68 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.84 3.97 0.00 1.59 1.72 0.96 1.08 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 0.00 111 S 8.01 4.25 0.00 4.11 3.89 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 0.00 112 I 7.41 3.62 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.71 0.00 0.00 113 Q 7.59 3.98 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 114 A 7.92 4.13 1.37 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 0.00 0.00 0.00 115 L 7.75 3.71 0.00 1.88 1.62 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.25 3.49 0.00 1.65 1.41 0.53 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.03 4.81 0.00 4.04 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 0.00 118 A 7.57 4.68 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 0.00 119 P 0.00 4.15 0.00 0.95 0.93 0.00 3.63 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 1.85 2.01 0.00 120 N 7.98 4.57 0.00 2.56 2.61 0.00 0.00 7.18 7.02 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 0.00 121 P 0.00 4.14 0.00 2.18 2.18 0.00 3.46 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 122 D 8.27 4.28 0.00 2.87 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 0.00 123 D 7.80 4.66 0.00 2.69 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 0.00 124 P 0.00 4.45 0.00 2.24 2.12 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 *127 N 8.28 4.46 0.00 2.95 3.05 0.00 0.00 6.04 8.07 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 0.00 128 D 7.14 4.17 0.00 2.82 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 0.00 129 V 7.71 3.83 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 0.26 0.00 0.00 0.85 0.00 0.00 130 A 7.90 4.04 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 0.00 131 E 8.52 4.03 0.00 2.08 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 0.00 2.34 2.50 0.00 132 Q 8.11 3.99 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.56 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 133 W 7.80 4.41 0.00 3.71 3.12 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 0.00 134 K 8.26 4.47 0.00 1.86 2.22 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.45 7.81 135 T 7.73 4.52 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 1.22 0.00 0.00 136 N 9.69 4.82 0.00 2.69 2.59 0.00 0.00 6.72 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 0.00 137 E 6.52 3.02 0.00 2.01 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 2.27 2.45 0.00 138 A 7.90 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 7.89 3.86 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 140 A 8.28 3.80 0.62 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 0.00 141 I 7.05 3.16 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.38 0.79 0.00 0.00 142 E 8.06 3.85 0.00 1.93 2.02 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 2.30 2.36 0.00 143 T 7.52 3.61 3.89 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 -0.44 0.00 0.00 144 A 7.71 3.77 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 0.00 145 R 8.34 3.95 0.00 1.78 1.97 0.00 3.11 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 146 A 8.19 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 0.00 147 W 8.65 4.46 0.00 3.49 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 0.00 148 T 8.37 4.24 4.52 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 1.39 0.00 0.00 149 R 8.25 4.06 0.00 1.79 2.02 0.00 3.16 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 150 L 8.04 4.03 0.00 1.59 1.66 -0.90 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.81 4.87 0.00 2.92 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 0.00 152 A 8.37 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 M 7.84 4.89 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.50 0.00 154 N 8.58 4.15 0.00 2.81 2.85 0.00 0.00 6.90 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.78 4.79 0.00 2.92 2.99 0.00 0.00 7.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.39 3.87 1.88 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 1.28 0.41 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.