NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.5706 0.0000 0.0000 62.5439 32.9871 175.1227 9 S 4.6041 8.8407 120.9195 55.9942 64.9972 171.4980 10 Q 4.7318 9.1376 128.0511 55.2761 30.0717 174.4780 11 V 4.5674 8.9478 125.5547 60.8669 34.0312 174.3231 12 A 5.0124 8.8252 130.8498 50.6212 20.2754 175.5289 13 F 5.0218 8.9868 121.5823 57.5260 40.8144 175.3849 14 E 5.3356 9.5452 122.3704 54.9513 33.7666 174.5243 15 I 4.7215 8.4161 121.5668 60.0420 42.0330 173.3501 16 R 5.1104 9.1772 124.7595 53.8451 33.9674 175.1520 17 G 4.5986 8.3225 109.6647 46.7557 0.0000 172.1447 18 T 4.5084 8.3653 117.0259 62.8354 69.4411 174.6917 19 L 4.5336 7.8694 123.4875 52.7134 45.9167 176.3215 20 L 4.3064 8.5136 121.2109 53.1668 42.4902 175.0169 21 P 4.4257 0.0000 0.0000 64.4899 31.3824 177.5784 22 G 4.0858 8.9906 110.8526 45.5237 0.0000 173.1173 23 E 3.7678 7.8073 120.6322 55.9726 30.4554 175.9502 24 V 3.5063 7.9852 117.3397 59.2534 36.6522 174.4709 25 F 4.8415 6.7363 119.3921 56.5693 40.9427 175.0113 26 A 4.9244 8.9218 122.4062 50.2265 23.0870 174.5979 27 I 4.6505 8.6236 120.0704 59.2572 40.7296 174.1138 28 C 5.0892 8.9497 128.6509 58.2531 35.4102 173.2005 29 G 3.0443 8.0281 111.1388 44.8775 0.0000 172.7499 30 S 4.8506 7.9109 114.9359 58.3110 63.5773 173.7281 31 C 4.7259 7.5841 113.8273 57.7835 32.9677 174.0709 32 D 4.4343 8.8576 118.6135 57.5778 40.4072 179.3315 33 A 4.0141 7.9929 120.1485 54.5105 18.7395 177.8523 34 L 4.2766 7.9053 113.6680 54.4066 42.3014 177.7630 35 G 3.8012 7.8353 107.2776 44.7546 0.0000 173.6705 36 N 4.2824 9.0276 115.1609 54.1946 36.4360 174.8579 37 W 3.7979 8.0620 113.0644 57.3233 28.2224 174.6468 38 N 4.7845 8.2121 119.0693 51.7221 38.2998 173.8091 39 P 4.5268 0.0000 0.0000 65.8997 31.4507 178.6678 40 Q 3.9988 8.3259 117.3640 58.1715 28.6634 176.7215 41 N 4.8657 8.1260 113.3875 52.7988 38.8033 174.6949 42 A 4.3969 7.7602 120.3332 52.0644 19.7804 177.7304 43 V 4.3373 8.5189 119.4226 60.9446 33.3895 175.0078 44 A 4.0814 8.1521 130.3268 51.6492 18.6986 177.0258 45 L 4.5017 8.7286 122.8755 54.6455 42.9787 176.4108 46 L 4.7794 8.9719 121.1238 52.2758 44.6032 174.3409 47 P 3.3935 0.0000 0.0000 62.1853 31.6120 175.4810 48 E 4.5186 8.3744 124.9402 54.4623 33.1457 174.5447 49 N 4.5335 8.5878 123.4688 51.9687 38.9676 174.7126 *54 S 4.3240 8.4895 118.4172 57.7364 64.5216 173.5115 *56 L 4.2742 7.5140 121.2220 54.5963 43.4321 175.5227 57 W 5.4131 9.1364 125.4961 54.8236 32.6252 174.6846 58 K 5.3348 9.2680 121.6985 55.5185 36.3007 175.0217 59 A 4.8556 8.9314 122.9628 50.9190 22.5954 175.0317 60 T 4.8761 8.6738 119.8715 62.3664 69.9751 174.4785 61 I 4.6418 9.0075 127.5574 59.3175 41.2939 174.8680 62 V 4.4125 8.5158 126.7273 62.4741 32.1486 174.9976 63 L 4.8547 9.1041 127.6535 52.8451 45.4909 175.5272 64 S 4.7457 8.3409 115.5990 57.6480 64.4613 174.6341 65 R 3.8488 8.5775 123.5329 57.5628 30.1592 177.0895 66 G 3.8637 9.1441 111.1847 45.7755 0.0000 172.8908 67 V 4.1931 7.1286 118.2089 60.6747 32.6193 175.4018 68 S 4.5692 8.5878 122.5412 57.8538 63.1001 173.1778 69 V 4.5184 8.9941 126.8188 61.3029 34.5778 174.0788 70 Q 5.3398 9.0755 127.0668 55.0546 31.2095 174.1819 71 Y 4.8565 8.7384 119.5025 56.3468 41.9507 173.4996 72 R 5.1208 9.2440 118.2631 55.2402 35.5006 173.6771 73 Y 5.5015 9.5012 118.7369 56.6756 40.7506 174.9448 74 F 5.8905 8.8326 116.8694 55.1076 42.2615 173.2712 75 K 4.6477 8.9904 119.1078 55.5015 34.8975 175.9317 76 G 4.2575 7.8280 108.2307 46.4975 0.0000 170.8633 77 Y 5.1159 8.6440 118.1618 56.2437 41.6804 175.0166 78 F 4.9750 9.2799 122.7570 56.0861 40.2385 175.1067 79 L 4.6831 8.9127 125.1090 52.9954 43.5621 176.4263 80 E 4.1738 8.7657 123.1047 55.5854 30.4840 174.6662 81 P 4.3922 0.0000 0.0000 63.2522 31.3892 176.5667 82 K 4.0895 8.9062 124.9695 58.7441 32.7223 177.0953 83 T 4.6552 7.5441 114.6826 60.8123 71.1007 173.3916 84 I 3.7734 8.2884 118.9128 62.8009 37.6116 176.4225 85 G 3.9091 9.0334 113.4210 45.0560 0.0000 173.2795 86 G 3.8492 7.8217 108.9086 44.4222 0.0000 171.3136 87 P 4.5981 0.0000 0.0000 62.1584 32.5542 175.7349 88 C 4.5919 8.4946 121.7946 59.0754 32.2835 172.5117 89 Q 4.4434 8.7479 127.7408 55.4898 30.3012 174.0783 90 V 4.4410 8.8566 126.7161 61.1582 33.4972 174.8365 91 I 4.3845 8.5985 128.7636 59.3923 39.6184 174.8824 92 V 3.6365 8.1871 128.1938 63.0392 31.4431 174.8063 93 H 4.6821 9.0985 129.2107 58.0197 30.1414 175.1096 94 K 4.7879 7.6045 116.0390 54.7571 36.5486 175.2917 95 W 5.1298 9.0871 124.3640 55.9460 30.2973 176.0432 96 E 3.4810 9.1191 120.8945 56.3337 29.6423 176.4300 97 T 4.4767 8.0893 115.7749 62.6508 68.7483 174.9928 98 H 4.4746 7.7978 125.0761 55.0850 29.1022 176.5207 *101 P 4.3137 0.0000 0.0000 62.6512 32.2173 175.2623 102 R 4.5515 7.6727 116.0822 55.5263 32.0143 175.9633 103 S 5.3115 8.2240 114.6999 57.1174 66.5576 173.0399 104 I 4.6800 9.2090 121.3567 60.2440 42.0903 173.8061 105 T 5.0491 8.5863 125.6380 60.4339 70.3941 170.0508 106 P 4.1577 0.0000 0.0000 62.6440 32.3098 176.8108 107 L 4.8680 8.4941 122.7074 53.9771 43.2565 175.6559 108 E 4.7799 7.8317 116.6320 54.3514 33.7927 175.7936 109 S 4.2912 8.7401 115.2407 61.1329 63.4290 173.5899 110 E 5.1701 8.0333 116.8934 54.5152 32.5622 175.2662 111 I 4.6107 8.5844 124.2261 59.4135 41.5374 174.4780 112 I 4.7361 8.3339 125.9829 59.7116 39.5140 174.9037 113 I 4.2866 8.7325 129.3884 59.6430 39.0731 174.4963 114 D 5.1366 8.7833 127.8281 52.6138 42.0305 174.6527 115 D 4.8191 9.0690 126.2169 52.8639 41.8914 178.1605 116 G 3.9097 8.4827 113.2136 46.9171 0.0000 176.6197 117 Q 5.1179 8.5861 121.0709 53.3429 30.9437 173.7148 118 F 4.0203 8.9219 126.6529 57.6303 40.1445 175.3653 119 G 3.8016 7.9818 112.0023 46.6042 0.0000 173.1289 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 8 P 0.00 4.57 0.00 1.95 2.09 0.00 3.58 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 2.09 0.00 9 S 8.84 4.60 0.00 3.87 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 10 Q 9.14 4.73 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 11 V 8.95 4.57 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.86 0.00 0.00 12 A 8.83 5.01 1.18 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 13 F 8.99 5.02 0.00 3.03 3.13 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 14 E 9.55 5.34 0.00 1.98 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 0.00 2.26 2.26 0.00 15 I 8.42 4.72 0.98 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.02 0.05 0.00 0.00 16 R 9.18 5.11 0.00 1.90 1.83 0.00 3.33 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 17 G 8.32 4.60 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 0.00 0.00 0.00 18 T 8.37 4.51 4.28 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 1.23 0.00 0.00 19 L 7.87 4.53 0.00 1.34 1.14 -0.36 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.51 4.31 0.00 1.78 1.63 0.88 1.13 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 21 P 0.00 4.43 0.00 2.07 2.04 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 22 G 8.99 4.09 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 0.00 23 E 7.81 3.77 0.00 1.66 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 24 V 7.99 3.51 1.79 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 0.74 0.00 0.00 0.80 0.00 0.00 25 F 6.74 4.84 0.00 2.50 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.92 4.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.65 1.65 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.07 0.77 0.00 0.00 28 C 8.95 5.09 0.00 3.36 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 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 0.00 0.00 0.00 30 S 7.91 4.85 0.00 3.95 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 31 C 7.58 4.73 0.00 3.04 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 32 D 8.86 4.43 0.00 2.72 2.77 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 33 A 7.99 4.01 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 34 L 7.91 4.28 0.00 1.47 1.52 0.55 0.64 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 35 G 7.84 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.03 4.28 0.00 2.82 2.92 0.00 0.00 6.91 7.31 0.00 0.00 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 W 8.06 3.80 0.00 3.46 3.24 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 38 N 8.21 4.78 0.00 2.83 2.98 0.00 0.00 6.92 7.29 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 39 P 0.00 4.53 0.00 2.09 2.13 0.00 3.89 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 40 Q 8.33 4.00 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.21 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 41 N 8.13 4.87 0.00 2.85 2.86 0.00 0.00 6.96 7.25 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 42 A 7.76 4.40 1.62 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 43 V 8.52 4.34 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 0.92 0.00 0.00 0.95 0.00 0.00 44 A 8.15 4.08 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 45 L 8.73 4.50 0.00 1.90 2.00 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.97 4.78 0.00 1.45 1.43 0.88 1.24 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 47 P 0.00 3.39 0.00 1.46 1.08 0.00 3.30 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.78 0.00 48 E 8.37 4.52 0.00 1.80 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 0.00 2.13 2.35 0.00 49 N 8.59 4.53 0.00 2.69 2.72 0.00 0.00 6.89 7.57 0.00 0.00 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 S 8.49 4.32 0.00 3.93 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 0.00 *56 L 7.51 4.27 0.00 1.86 1.74 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.14 5.41 0.00 3.48 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 58 K 9.27 5.33 0.00 1.89 1.88 0.00 1.38 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.26 7.81 59 A 8.93 4.86 1.30 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 0.00 0.00 60 T 8.67 4.88 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 1.19 0.00 0.00 61 I 9.01 4.64 2.06 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 1.14 0.74 0.94 0.00 0.00 62 V 8.52 4.41 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 0.77 0.00 0.00 0.93 0.00 0.00 63 L 9.10 4.85 0.00 1.57 1.56 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.34 4.75 0.00 3.78 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 65 R 8.58 3.85 0.00 1.80 1.88 0.00 3.46 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 66 G 9.14 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 67 V 7.13 4.19 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 0.80 0.00 0.00 0.94 0.00 0.00 68 S 8.59 4.57 0.00 3.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.99 4.52 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 0.98 0.00 0.00 1.00 0.00 0.00 70 Q 9.08 5.34 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.38 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 71 Y 8.74 4.86 0.00 2.71 2.64 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 72 R 9.24 5.12 0.00 2.39 2.30 0.00 3.14 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 73 Y 9.50 5.50 0.00 3.10 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 74 F 8.83 5.89 0.00 2.76 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 0.00 0.00 0.00 0.00 75 K 8.99 4.65 0.00 1.17 1.23 0.00 1.04 0.00 0.00 1.18 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.40 7.81 76 G 7.83 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 77 Y 8.64 5.12 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 78 F 9.28 4.98 0.00 2.90 3.10 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 79 L 8.91 4.68 0.00 1.57 1.59 0.90 0.68 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 80 E 8.77 4.17 0.00 1.99 1.88 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 2.31 2.43 0.00 81 P 0.00 4.39 0.00 2.02 2.15 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 82 K 8.91 4.09 0.00 1.71 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.46 7.81 83 T 7.54 4.66 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 1.21 0.00 0.00 84 I 8.29 3.77 1.88 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 1.35 0.40 0.92 0.00 0.00 85 G 9.03 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 86 G 7.82 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 0.00 0.00 0.00 87 P 0.00 4.60 0.00 2.11 2.08 0.00 3.78 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 1.99 1.97 0.00 88 C 8.49 4.59 0.00 3.10 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 89 Q 8.75 4.44 0.00 2.16 1.92 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 2.35 2.32 0.00 90 V 8.86 4.44 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 0.50 0.00 0.00 0.20 0.00 0.00 91 I 8.60 4.38 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.63 0.98 0.00 0.00 92 V 8.19 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 0.03 0.00 0.00 0.01 0.00 0.00 93 H 9.10 4.68 0.00 3.22 3.52 0.00 5.99 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.60 4.79 0.00 1.83 1.80 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.10 1.38 7.81 95 W 9.09 5.13 0.00 3.23 3.24 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 96 E 9.12 3.48 0.00 1.34 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 2.64 2.29 0.00 97 T 8.09 4.48 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 1.16 0.00 0.00 98 H 7.80 4.47 0.00 3.11 2.38 0.00 5.81 0.00 0.00 0.00 0.00 6.68 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 4.31 0.00 2.31 2.16 0.00 3.75 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 1.90 1.88 0.00 102 R 7.67 4.55 0.00 0.67 1.15 0.00 2.81 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.18 0.00 103 S 8.22 5.31 0.00 3.87 3.81 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 0.00 104 I 9.21 4.68 2.21 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.64 1.19 0.00 0.00 105 T 8.59 5.05 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 1.23 0.00 0.00 106 P 0.00 4.16 0.00 2.10 2.18 0.00 3.87 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 2.28 2.02 0.00 107 L 8.49 4.87 0.00 1.60 1.64 0.93 0.90 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 0.00 108 E 7.83 4.78 0.00 1.86 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 2.19 2.25 0.00 109 S 8.74 4.29 0.00 3.89 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 0.00 110 E 8.03 5.17 0.00 1.80 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 2.16 2.27 0.00 111 I 8.58 4.61 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.82 0.00 0.00 112 I 8.33 4.74 1.83 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 1.28 0.55 0.92 0.00 0.00 113 I 8.73 4.29 1.69 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 0.77 0.70 1.18 0.00 0.00 114 D 8.78 5.14 0.00 2.68 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 0.00 115 D 9.07 4.82 0.00 2.85 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 0.00 116 G 8.48 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 0.00 117 Q 8.59 5.12 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 118 F 8.92 4.02 0.00 2.49 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 0.00 119 G 7.98 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.