NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4010 K 4.2963 8.2993 120.1353 55.2718 33.7407 174.8856 4011 P 4.4700 0.0000 0.0000 62.5610 32.5066 173.9203 4012 K 5.1521 10.5031 124.0211 54.6028 37.3233 175.9489 4013 L 5.1873 8.8602 120.9309 53.1280 45.1307 176.1254 4014 L 5.1869 8.6277 122.0526 53.3405 43.9761 174.6800 4015 Y 4.5603 8.9665 127.0663 56.7195 40.3924 173.7400 4016 C 3.8517 8.5759 128.5883 58.2223 32.1057 174.2048 4017 S 3.8107 8.3125 122.1347 61.4020 62.0973 174.8984 4018 N 4.1813 8.1779 117.6559 56.0621 38.6695 175.3241 4019 G 3.9641 7.6420 102.8928 44.6140 0.0000 172.5632 4020 G 3.4706 7.5940 106.5906 44.5019 0.0000 173.2797 4021 H 4.9714 7.4531 115.1817 53.6319 31.8924 174.1346 4022 F 4.9048 9.1333 121.2775 56.2563 40.4917 175.1132 4023 L 4.4831 9.3814 126.4453 55.6150 43.1803 175.5746 4024 R 4.8546 9.4919 126.5357 54.6324 33.3021 174.0838 4025 I 4.6908 8.2362 127.4292 59.3844 38.2575 175.7175 4026 L 4.1211 8.8952 128.4637 53.3838 42.1633 177.1362 4027 P 4.2779 0.0000 0.0000 65.6261 31.1218 176.7980 4028 D 4.5374 8.0250 116.3652 53.4486 39.8394 177.0730 4029 G 4.0585 8.4579 109.8550 45.6180 0.0000 173.7329 4030 T 4.2948 8.2124 118.0825 63.2324 68.9789 173.5225 4031 V 4.8692 8.2370 125.9979 61.1205 34.1436 174.2507 4032 D 4.5437 8.6235 126.5651 52.9957 42.8208 174.0927 4033 G 4.5794 8.4626 104.5633 45.6293 0.0000 172.0523 4034 T 5.0106 8.7525 114.1970 60.7447 70.9452 174.7173 4035 R 4.5302 8.8235 124.1046 57.0898 31.0649 176.3435 4036 D 4.5297 8.1065 118.3939 53.7824 40.2630 176.8397 4037 R 3.7336 8.5281 126.8816 58.2763 30.2004 178.0109 4038 S 4.3808 8.1599 111.0776 58.1670 64.0584 174.0626 4039 D 4.3833 7.9275 122.9258 54.7558 41.0928 177.1488 4040 Q 4.0706 8.6805 125.0258 58.6624 29.2420 177.0376 4041 H 4.8060 8.9619 115.0704 55.7136 28.7717 176.1661 4042 I 4.5055 7.0093 110.7631 60.0983 38.3675 175.6475 4043 Q 4.2084 7.5366 121.9980 55.9712 29.1859 175.0919 4044 L 5.2482 9.1879 124.4152 52.7277 46.1496 175.5745 4045 Q 4.6589 9.2003 121.8444 54.4242 31.8510 173.9221 4046 L 5.0413 8.6359 126.7327 53.8159 43.1365 176.1510 4047 S 4.8715 9.3611 120.0924 56.8238 66.0069 173.4920 4048 A 4.5416 8.5690 126.0600 50.3875 18.1990 176.4659 4049 E 3.8826 8.9269 121.2502 58.3929 30.4254 178.9326 4050 S 4.7247 7.3616 113.2415 56.1538 66.1394 173.2041 4051 V 3.7922 8.1082 121.2209 65.7371 30.7223 176.2379 4052 G 3.9676 9.1439 117.1623 44.7578 0.0000 171.0821 4053 E 5.0284 7.8745 120.3062 54.8051 31.5934 175.6691 4054 V 5.0455 9.0087 117.3948 59.9225 36.4324 173.9984 4055 Y 5.2335 9.1295 119.8764 56.4774 41.1622 175.1322 4056 I 4.6874 8.6945 123.6094 59.5877 39.9130 174.2056 4057 K 4.7063 8.6765 128.9622 54.0635 35.3680 175.0542 4058 S 4.6691 8.8865 122.4863 58.5243 63.1933 174.2964 4059 T 4.1800 8.6683 116.7058 62.3162 68.7397 174.8424 4060 E 4.3500 8.1801 122.9866 57.3947 30.7924 176.2234 4061 T 4.3742 7.8527 105.6153 60.4826 70.1735 175.1760 4062 G 3.8536 8.1277 110.0373 45.5469 0.0000 173.8185 4063 Q 4.4848 7.6635 118.8029 56.0419 30.2372 174.5962 4064 Y 4.7572 9.3701 120.7282 56.0924 40.3401 175.3011 4065 L 4.4456 9.0911 125.9375 55.5884 43.6992 175.4255 4066 A 5.1077 8.5142 124.7968 51.3156 23.3628 174.6764 4067 M 5.4179 8.5086 118.7143 53.9837 35.1186 175.3593 4068 D 5.2645 9.6384 126.0395 51.5987 41.1706 177.0866 4069 T 4.3869 8.6006 108.7219 64.8236 68.3702 174.5327 4070 D 4.6091 8.7128 120.0900 54.2584 41.3508 177.1072 4071 G 3.1827 8.8827 108.7140 45.1916 0.0000 172.5636 4072 L 4.6313 7.7515 121.3212 53.3497 43.2455 175.7202 4073 L 4.9931 8.3652 125.7993 55.2526 42.6902 175.5482 4074 Y 5.0210 9.0949 119.4961 56.1534 41.9387 173.3655 4075 G 4.3935 9.1305 108.5619 44.4083 0.0000 173.0789 4076 S 5.1446 9.1530 120.7437 56.6382 64.2682 175.1799 4077 Q 3.7917 9.1042 125.7565 57.9309 29.0256 176.3124 4078 T 4.5918 7.5494 107.0697 58.4590 71.5735 171.7458 4079 P 3.8072 0.0000 0.0000 62.5094 31.8260 175.1031 4080 N 5.0834 8.2758 119.0582 50.4763 40.6245 174.6423 4081 E 4.2196 8.7741 115.4935 59.0553 29.2807 177.7903 4082 E 4.1645 8.1665 117.8505 57.7518 29.9158 177.1818 4083 C 4.9878 8.1457 115.3663 58.9732 29.0879 173.3580 4084 L 4.4153 7.2190 120.9683 53.6599 43.0576 175.6527 4085 F 5.2733 8.6957 120.6897 55.6816 43.8686 173.8880 4086 L 4.8057 9.2912 123.0167 53.9553 42.7972 175.2951 4087 E 4.6169 9.4098 126.7802 54.9530 30.7369 175.4548 4088 R 4.6570 8.3570 125.7238 54.1477 33.5688 174.6755 4089 L 5.2232 8.5496 125.8483 54.4399 43.1809 175.6991 4090 E 4.7206 9.3680 125.1465 54.2933 32.2398 176.5823 4091 E 3.9661 9.0411 121.1734 58.8966 29.9752 176.7103 4092 N 4.9756 8.0837 115.5863 52.9779 37.9439 176.4060 4093 H 4.1888 8.0266 114.9290 57.6124 28.1856 174.9234 4094 Y 4.4911 7.8901 117.0746 57.4932 39.7112 174.2278 4095 N 5.6118 9.6312 118.9980 51.8198 42.6807 173.5928 4096 T 5.5067 8.5268 109.1937 59.2281 72.9122 172.6438 4097 Y 5.2083 8.9076 119.5890 56.6482 41.7027 174.1584 4098 I 4.8211 8.5880 125.6407 59.2650 40.0106 175.3068 4099 S 4.1023 9.1836 122.1728 58.4218 62.9199 174.6092 4100 K 3.7689 8.7358 129.3950 59.4685 32.0874 178.7903 4101 K 3.9449 7.9022 117.5744 58.9867 32.2207 176.0986 4102 H 4.8607 8.1077 115.0805 53.9100 30.1015 175.6037 4103 A 3.9379 8.0390 125.3804 55.1392 18.2756 180.7470 4104 E 3.8726 8.0702 113.5611 59.3551 29.6099 178.9870 4105 K 3.9124 7.3690 117.0493 56.6672 32.2087 176.4295 4106 N 3.9949 7.7419 115.3184 53.9381 36.2807 174.5727 4107 W 4.9567 8.0659 118.7018 56.7569 30.0120 176.2657 4108 F 5.3735 9.1985 124.2972 56.0170 40.4179 176.1127 4109 V 3.9933 9.4167 122.0678 63.0971 32.5696 175.2302 4110 G 4.4390 8.5525 112.3781 45.4928 0.0000 171.6510 4111 L 5.3552 8.3757 121.0001 52.4778 45.2729 177.0882 4112 K 4.3000 9.2009 122.4564 55.4578 33.0546 178.4563 4113 K 3.9760 8.4484 119.0716 59.3286 31.9253 177.9543 4114 N 4.6586 8.0899 114.0236 52.5458 37.6854 175.6294 4115 G 3.6073 7.9458 109.5400 45.4566 0.0000 174.3175 4116 S 4.5524 8.3577 115.9717 58.1994 64.1348 173.5324 4117 C 4.4733 8.5833 122.3207 59.5557 32.2944 172.6562 4118 K 4.4479 8.8428 127.4386 54.4221 33.1122 176.3024 4119 R 3.9207 8.7399 126.9870 56.5906 30.8622 177.5089 4120 G 3.5319 8.9449 113.0430 48.2066 0.0000 173.3729 4121 P 4.5485 0.0000 0.0000 63.6872 31.2538 176.6375 4122 R 4.4637 8.1048 117.8703 56.2855 30.8065 176.0814 4123 T 5.2303 7.4941 108.0703 60.2610 70.8912 173.6353 4124 H 4.7907 8.4244 119.1706 55.0497 32.6936 172.5035 4125 Y 3.8813 8.4300 126.8297 59.3608 38.9813 175.9582 4126 G 3.7863 7.6746 113.1268 45.4732 0.0000 174.1775 4127 Q 4.1160 7.4530 118.2680 55.4637 29.6339 177.2634 4128 K 3.5998 8.2998 119.0619 58.4796 32.7923 179.3794 4129 A 3.9678 7.8721 121.8793 54.2064 18.4436 178.3925 4130 I 4.6309 7.0529 106.9466 59.8935 38.3727 174.5529 4131 L 4.9213 7.3560 122.5073 53.7972 43.2513 175.4875 4132 F 5.4396 9.8823 122.8828 55.6145 42.8820 173.7726 4133 L 4.4477 9.1188 126.7315 52.8581 43.1826 173.6825 4134 P 5.1036 0.0000 0.0000 62.4603 32.1863 175.8376 4135 L 4.8010 9.0476 124.9651 52.1183 44.8073 174.1748 4136 P 4.7211 0.0000 0.0000 62.3850 31.8697 176.3117 4137 V 3.8827 8.3183 125.2680 61.9364 32.7766 177.8217 4138 S 3.4763 8.4873 120.9294 58.4058 62.3564 172.4201 *4139 S 4.2830 8.4756 115.1183 58.5198 62.7319 169.2898 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 4010 K 8.30 4.30 0.00 1.77 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 4011 P 0.00 4.47 0.00 2.16 2.15 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 4012 K 10.50 5.15 0.00 1.65 1.80 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.60 7.81 4013 L 8.86 5.19 0.00 1.70 1.73 0.46 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 4014 L 8.63 5.19 0.00 1.58 1.69 0.42 0.82 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 4015 Y 8.97 4.56 0.00 3.09 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 4016 C 8.58 3.85 0.00 2.64 2.49 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 4017 S 8.31 3.81 0.00 3.53 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 4018 N 8.18 4.18 0.00 2.55 2.66 0.00 0.00 6.70 7.98 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 4019 G 7.64 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 0.00 0.00 0.00 4020 G 7.59 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4021 H 7.45 4.97 0.00 3.04 3.18 0.00 5.81 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 4022 F 9.13 4.90 0.00 3.16 3.09 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 4023 L 9.38 4.48 0.00 1.72 1.51 0.93 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 4024 R 9.49 4.85 0.00 1.91 2.06 0.00 3.24 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 4025 I 8.24 4.69 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 1.18 0.71 0.91 0.00 0.00 4026 L 8.90 4.12 0.00 1.90 1.57 0.92 0.76 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 4027 P 0.00 4.28 0.00 2.17 2.20 0.00 3.56 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 4028 D 8.03 4.54 0.00 2.82 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 4029 G 8.46 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 0.00 0.00 0.00 4030 T 8.21 4.29 4.38 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 1.22 0.00 0.00 4031 V 8.24 4.87 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 0.82 0.00 0.00 0.98 0.00 0.00 4032 D 8.62 4.54 0.00 2.87 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 4033 G 8.46 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4034 T 8.75 5.01 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 1.34 0.00 0.00 4035 R 8.82 4.53 0.00 1.90 2.06 0.00 3.24 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.51 0.00 4036 D 8.11 4.53 0.00 2.79 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 4037 R 8.53 3.73 0.00 1.75 1.75 0.00 3.23 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.82 0.00 4038 S 8.16 4.38 0.00 3.95 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 4039 D 7.93 4.38 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4040 Q 8.68 4.07 0.00 1.85 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 4041 H 8.96 4.81 0.00 3.34 3.53 0.00 5.79 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 4042 I 7.01 4.51 1.96 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.29 1.01 0.00 0.00 4043 Q 7.54 4.21 0.00 1.79 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 4044 L 9.19 5.25 0.00 1.44 1.43 0.81 0.56 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 4045 Q 9.20 4.66 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 4046 L 8.64 5.04 0.00 1.59 1.65 0.86 0.99 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 4047 S 9.36 4.87 0.00 4.00 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 4048 A 8.57 4.54 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 4049 E 8.93 3.88 0.00 1.81 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 2.33 2.37 0.00 4050 S 7.36 4.72 0.00 3.97 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 4051 V 8.11 3.79 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 0.78 0.00 0.00 0.93 0.00 0.00 4052 G 9.14 3.97 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 0.00 0.00 0.00 4053 E 7.87 5.03 0.00 1.79 1.75 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 2.20 2.22 0.00 4054 V 9.01 5.05 2.26 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 0.99 0.00 0.00 1.25 0.00 0.00 4055 Y 9.13 5.23 0.00 3.02 3.01 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 0.00 0.00 0.00 4056 I 8.69 4.69 1.73 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.58 0.69 0.00 0.00 4057 K 8.68 4.71 0.00 1.08 1.29 0.00 1.40 0.00 0.00 1.16 0.00 0.00 2.62 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.96 0.23 7.81 4058 S 8.89 4.67 0.00 3.85 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 4059 T 8.67 4.18 4.19 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 0.00 0.00 1.16 0.00 0.00 4060 E 8.18 4.35 0.00 1.93 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 2.01 2.31 0.00 4061 T 7.85 4.37 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 1.27 0.00 0.00 4062 G 8.13 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 4063 Q 7.66 4.48 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 4064 Y 9.37 4.76 0.00 2.86 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 4065 L 9.09 4.45 0.00 1.61 1.58 0.78 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4066 A 8.51 5.11 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 4067 M 8.51 5.42 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 4068 D 9.64 5.26 0.00 2.98 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 4069 T 8.60 4.39 4.39 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 1.31 0.00 0.00 4070 D 8.71 4.61 0.00 2.78 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 4071 G 8.88 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 0.00 0.00 0.00 4072 L 7.75 4.63 0.00 1.64 1.74 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4073 L 8.37 4.99 0.00 1.61 1.60 0.91 0.88 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 4074 Y 9.09 5.02 0.00 3.14 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 4075 G 9.13 4.39 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 0.00 4076 S 9.15 5.14 0.00 3.85 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 4077 Q 9.10 3.79 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 4078 T 7.55 4.59 4.17 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 1.21 0.00 0.00 4079 P 0.00 3.81 0.00 1.51 0.49 0.00 3.45 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.41 0.00 4080 N 8.28 5.08 0.00 2.87 2.92 0.00 0.00 6.00 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 4081 E 8.77 4.22 0.00 2.05 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 2.28 2.34 0.00 4082 E 8.17 4.16 0.00 2.16 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 2.49 2.42 0.00 4083 C 8.15 4.99 0.00 3.26 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 4084 L 7.22 4.42 0.00 1.36 1.32 0.90 0.14 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 4085 F 8.70 5.27 0.00 3.09 3.08 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 0.00 0.00 0.00 0.00 4086 L 9.29 4.81 0.00 1.56 1.60 0.87 0.85 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 4087 E 9.41 4.62 0.00 2.06 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 2.15 1.81 0.00 4088 R 8.36 4.66 0.00 1.87 1.81 0.00 3.25 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 4089 L 8.55 5.22 0.00 1.66 1.57 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 4090 E 9.37 4.72 0.00 2.14 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 2.42 2.43 0.00 4091 E 9.04 3.97 0.00 1.97 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 2.33 2.35 0.00 4092 N 8.08 4.98 0.00 3.02 3.01 0.00 0.00 6.33 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4093 H 8.03 4.19 0.00 3.37 3.54 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4094 Y 7.89 4.49 0.00 2.91 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 4095 N 9.63 5.61 0.00 2.80 2.36 0.00 0.00 6.78 7.69 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 4096 T 8.53 5.51 4.65 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 1.41 0.00 0.00 4097 Y 8.91 5.21 0.00 2.85 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 4098 I 8.59 4.82 1.79 0.00 0.00 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 -0.19 0.57 0.80 0.00 0.00 4099 S 9.18 4.10 0.00 4.11 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 4100 K 8.74 3.77 0.00 1.72 1.66 0.00 1.64 0.00 0.00 1.45 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.29 7.81 4101 K 7.90 3.94 0.00 1.85 1.86 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.10 1.35 7.81 4102 H 8.11 4.86 0.00 3.16 2.53 0.00 5.88 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4103 A 8.04 3.94 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 4104 E 8.07 3.87 0.00 2.02 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 2.16 2.14 0.00 4105 K 7.37 3.91 0.00 0.79 1.29 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.08 0.91 7.81 4106 N 7.74 3.99 0.00 2.99 3.05 0.00 0.00 7.00 7.20 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 4107 W 8.07 4.96 0.00 3.37 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 4108 F 9.20 5.37 0.00 3.02 3.16 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 4109 V 9.42 3.99 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 0.53 0.00 0.00 0.42 0.00 0.00 4110 G 8.55 4.44 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 0.00 0.00 0.00 4111 L 8.38 5.36 0.00 1.46 1.49 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 4112 K 9.20 4.30 0.00 1.88 1.71 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.63 7.81 4113 K 8.45 3.98 0.00 1.71 1.85 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.33 7.81 4114 N 8.09 4.66 0.00 2.79 2.89 0.00 0.00 6.26 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4115 G 7.95 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 4116 S 8.36 4.55 0.00 3.83 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 4117 C 8.58 4.47 0.00 3.16 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 4118 K 8.84 4.45 0.00 1.71 1.79 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.43 7.81 4119 R 8.74 3.92 0.00 1.80 1.66 0.00 3.17 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 4120 G 8.94 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4121 P 0.00 4.55 0.00 2.21 2.21 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 4122 R 8.10 4.46 0.00 1.87 1.97 0.00 3.31 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 4123 T 7.49 5.23 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 1.48 0.00 0.00 4124 H 8.42 4.79 0.00 3.23 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4125 Y 8.43 3.88 0.00 2.98 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 4126 G 7.67 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 4127 Q 7.45 4.12 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 4128 K 8.30 3.60 0.00 1.78 1.70 0.00 1.37 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.25 7.81 4129 A 7.87 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 4130 I 7.05 4.63 1.87 0.00 0.00 -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 1.16 1.38 0.83 0.00 0.00 4131 L 7.36 4.92 0.00 1.41 1.60 0.68 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4132 F 9.88 5.44 0.00 3.19 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 4133 L 9.12 4.45 0.00 0.27 1.35 0.61 0.51 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 4134 P 0.00 5.10 0.00 2.03 2.06 0.00 3.68 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 2.14 2.30 0.00 4135 L 9.05 4.80 0.00 1.56 1.55 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4136 P 0.00 4.72 0.00 1.93 1.99 0.00 3.67 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 2.03 2.09 0.00 4137 V 8.32 3.88 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 0.67 0.00 0.00 0.86 0.00 0.00 4138 S 8.49 3.48 0.00 3.98 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 *4139 S 8.48 4.28 0.00 3.64 3.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.