NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2502 8.3027 118.7978 55.7009 30.9624 174.1179 2 V 4.1140 8.0452 120.4080 62.6298 31.9143 173.7844 3 Q 4.7591 10.2342 127.7079 54.1367 33.5897 173.7661 4 L 5.0761 8.5945 121.3997 53.1606 45.3574 175.0708 5 Q 4.9519 9.2636 126.8162 54.5715 30.7298 174.6853 6 Q 5.1463 9.2257 126.4979 54.5248 30.6399 175.9203 7 S 4.4330 8.5214 116.7622 58.2591 64.2401 173.8221 8 G 4.0853 8.4786 108.0055 44.8855 0.0000 173.2357 9 A 4.5370 8.5794 121.4130 52.4682 19.1629 176.9162 10 E 4.6923 9.2475 119.3905 54.3919 33.4008 175.1603 11 L 5.1118 8.6060 124.7270 53.5418 44.3471 175.3519 12 V 4.6487 8.9044 119.0854 59.7407 36.7794 174.6656 13 E 5.0232 8.4695 120.4952 53.9133 32.2368 174.0569 14 P 4.5233 0.0000 0.0000 64.8246 31.7003 177.0784 15 G 3.8708 9.3806 111.3795 45.1789 0.0000 173.2813 16 A 4.4761 7.6986 121.4959 51.3624 20.7648 176.1347 17 S 5.2270 8.4311 111.9770 57.1878 67.2825 174.0979 18 V 4.5643 8.5632 113.5960 59.6090 36.3041 174.6589 19 K 4.7028 8.5188 123.7081 54.8222 34.3688 175.1165 20 L 4.8427 8.9998 128.5896 53.4175 43.9731 176.0447 21 S 5.1756 9.0541 116.7446 56.8839 66.7352 172.6633 22 C 4.7599 8.9161 120.9558 55.6917 43.5472 172.2012 23 T 4.8632 9.0954 123.9805 61.9691 69.8559 174.0555 24 A 5.1638 8.4869 128.9037 50.6351 20.7966 176.3087 25 S 4.3735 8.8697 114.3244 57.6236 66.6476 175.2738 26 G 3.9388 10.8047 109.1660 46.4079 0.0000 172.9415 27 F 4.6348 6.8293 111.5624 55.9911 40.1678 172.6515 28 N 4.6228 8.4877 120.6655 52.1460 39.5496 176.0077 29 I 4.0305 8.4134 119.2465 62.8688 37.7563 178.1844 30 K 4.0274 8.3107 120.1116 58.8352 31.7012 177.2504 31 D 4.8048 8.5244 118.7741 54.6610 40.9177 175.6492 32 T 4.9351 8.0337 110.5380 59.8872 72.5222 173.0408 33 Y 4.5220 8.3257 123.0223 58.9831 39.3874 175.1650 34 M 4.7260 9.4219 124.3982 54.3547 33.8352 174.9715 35 H 5.3736 9.0527 121.7701 54.1937 31.6842 174.3536 36 W 5.3611 8.9052 120.3697 54.9703 32.8442 174.6866 37 V 4.9912 9.4085 123.6078 61.1004 34.6035 173.8790 38 K 4.6623 9.3217 128.9414 54.8140 34.7869 174.9362 39 Q 5.0021 8.4637 126.9713 53.2380 31.8432 174.5646 40 R 4.4232 8.5487 125.6817 54.9470 31.8418 174.7106 41 P 4.2837 0.0000 0.0000 64.6984 31.5996 176.7668 42 E 3.8617 9.0919 120.4214 56.6888 26.9870 173.2957 43 Q 4.6986 8.0183 117.6208 53.8050 32.2764 174.3410 44 G 4.0077 8.2222 107.2214 45.0101 0.0000 171.8684 45 L 4.8889 8.2129 118.6481 53.5443 43.2933 176.3249 46 E 4.8361 9.2165 123.7321 53.9761 32.8581 174.3913 47 W 4.6729 9.2686 135.0000 57.9905 31.1781 175.4297 48 I 3.5853 9.0316 128.2886 61.6247 38.3903 176.5014 49 G 2.8251 5.5706 107.0400 45.4535 0.0000 170.4335 50 R 5.1011 7.3070 114.7400 55.2068 33.4278 173.7789 51 I 4.9107 8.7350 119.3640 59.3424 41.8849 173.9966 52 D 5.0571 9.1229 128.7530 52.3104 40.4494 175.2383 52A P 4.3450 0.0000 0.0000 64.6203 31.7546 178.9713 53 A 4.1780 8.0274 121.2703 54.5270 18.2891 177.8135 54 N 4.8695 7.5344 105.4420 51.9359 39.1072 175.4593 55 G 3.9334 8.7605 107.8033 45.4928 0.0000 173.2044 56 N 4.6134 8.7332 118.9103 53.2564 39.2688 174.6936 57 S 5.2203 8.7158 119.5219 56.6925 66.1617 173.5856 58 K 4.6330 8.4267 120.2848 54.8424 35.6685 175.0531 59 Y 5.0901 8.3472 120.3363 55.7547 41.5158 175.7495 60 V 3.9145 8.6333 123.7941 62.4234 32.7077 174.8718 61 P 4.4933 0.0000 0.0000 65.7997 31.2519 178.5243 62 K 4.0256 8.0272 114.5851 58.5596 32.7861 177.1987 63 F 4.6445 8.1483 117.8990 57.2283 39.6460 175.5705 64 Q 4.0144 7.7913 121.5793 57.0283 28.8551 176.3868 65 G 3.9406 8.6929 111.1665 45.3257 0.0000 174.5541 66 K 4.0183 7.9582 119.8981 58.3619 32.7694 175.5139 67 A 5.1190 7.7610 119.2744 50.5106 21.0339 176.1994 68 T 4.5117 8.6747 117.7109 61.8535 72.2751 172.9347 69 I 5.0755 9.1167 128.0454 59.8615 39.3725 175.1387 70 T 4.9983 8.9381 115.5143 60.4006 72.8845 172.1361 71 A 5.2063 8.4943 121.3520 50.7734 22.7574 175.6288 72 D 4.8251 9.4298 119.8836 52.5857 43.2912 176.6221 73 T 4.0105 8.6677 117.9803 64.2191 69.3164 177.0851 74 S 4.1682 8.1099 116.4045 60.3476 63.0468 175.0738 75 S 4.5710 8.1989 113.2500 56.9433 63.2455 173.0522 76 N 4.0781 7.9246 118.0401 55.6102 37.8335 173.3574 77 T 4.9764 7.9550 111.3730 61.4386 72.5230 173.7989 78 A 5.2458 8.7112 126.9109 50.5692 22.2780 175.1767 79 Y 5.3605 9.4198 117.0583 56.1131 42.7678 174.5613 80 L 4.4424 8.4413 124.0502 53.1887 44.6985 174.7020 81 Q 4.8639 8.8655 128.7152 54.4912 31.3359 174.1322 82 L 5.2144 8.6994 125.7972 53.1465 45.1128 175.8769 82A T 4.7365 8.2219 113.0802 58.1839 71.8109 173.8481 82B S 3.6624 8.3794 115.1933 59.4225 60.5578 173.4054 82C L 4.3048 8.0083 120.2900 55.1194 42.5157 177.4333 83 T 4.8205 8.7995 112.6930 59.2651 71.9359 174.8798 84 S 4.2624 8.4275 114.5171 60.8321 63.1153 175.8511 85 E 4.1873 7.8981 119.5201 58.3742 29.2278 177.1834 86 D 4.7810 7.8939 117.4855 55.0137 41.5180 176.6364 87 T 4.3219 7.7264 116.6540 64.1948 68.8310 173.6232 88 A 4.3053 8.5592 127.2205 51.6544 23.7401 174.6158 89 V 4.5078 7.8687 119.4730 61.9095 33.5358 174.2562 90 Y 5.1780 8.8626 125.2486 56.4543 40.7559 174.2023 91 Y 5.5411 9.7230 121.9703 56.3972 41.3611 172.4264 92 C 5.2260 8.9963 116.5054 53.1584 45.3948 172.5896 93 A 4.7301 7.7455 120.8014 50.7392 21.8589 174.0047 94 P 4.9887 0.0000 0.0000 62.6023 33.2326 175.7448 95 F 4.9545 9.1556 123.4869 57.0946 42.5858 173.6358 96 G 4.2917 9.1455 111.7766 46.2868 0.0000 173.1874 97 Y 4.2364 9.0358 123.0684 59.8879 38.5052 177.2735 98 Y 4.5644 7.8547 112.7173 58.1264 38.5703 175.3916 99 V 4.1096 7.6616 117.5066 63.9742 33.5271 176.3963 100 S 4.5314 8.0195 116.8934 56.9778 62.8075 173.1032 101 D 4.4167 7.9889 125.0065 55.3650 41.7938 177.4891 101A Y 4.6072 7.7231 114.8479 59.3497 39.4949 174.7464 101B A 4.0735 7.3503 119.5479 51.9441 21.0926 175.6117 101C M 3.7418 8.0312 114.1201 54.1299 30.9141 175.6855 101D A 4.0101 8.2021 126.0775 52.8833 19.3788 177.3339 102 Y 4.8608 7.3175 113.5883 55.7834 41.1051 174.4776 103 W 4.9879 8.8401 123.6942 54.3812 32.6284 175.4755 104 G 4.0172 8.8262 112.3109 45.2120 0.0000 173.4908 105 Q 4.2796 8.6173 115.9932 56.6138 29.2139 177.2115 106 G 3.7502 8.6939 105.3751 46.0087 0.0000 172.9095 107 T 4.6331 8.7439 117.6903 61.4123 71.6692 173.2433 108 S 4.8661 8.7272 121.7832 57.7773 64.2671 172.6316 109 V 4.8590 9.2281 126.9613 61.4232 34.3521 174.0301 110 T 4.9030 9.1274 124.7189 61.7503 71.4406 173.2061 111 V 4.7816 8.2074 127.4777 61.9201 32.2933 174.6134 112 S 4.4982 8.7961 123.1567 58.2953 66.2398 176.4330 *113 S 5.2150 8.5145 115.6650 58.8228 62.7872 174.7792 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 E 8.30 4.25 0.00 2.19 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 2.27 2.32 0.00 2 V 8.05 4.11 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 0.06 0.00 0.00 0.54 0.00 0.00 3 Q 10.23 4.76 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 4 L 8.59 5.08 0.00 1.63 1.56 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.26 4.95 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 6 Q 9.23 5.15 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 7 S 8.52 4.43 0.00 3.96 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 8 G 8.48 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 9 A 8.58 4.54 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 10 E 9.25 4.69 0.00 1.85 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 2.37 2.36 0.00 11 L 8.61 5.11 0.00 1.59 1.55 0.93 0.90 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 12 V 8.90 4.65 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 0.77 0.00 0.00 0.97 0.00 0.00 13 E 8.47 5.02 0.00 1.91 1.85 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 2.45 2.32 0.00 14 P 0.00 4.52 0.00 2.03 2.03 0.00 3.69 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 2.04 2.13 0.00 15 G 9.38 3.87 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 0.00 0.00 0.00 16 A 7.70 4.48 1.33 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 0.00 0.00 17 S 8.43 5.23 0.00 3.69 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.56 4.56 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 0.65 0.00 0.00 0.77 0.00 0.00 19 K 8.52 4.70 0.00 1.63 1.62 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.35 7.81 20 L 9.00 4.84 0.00 1.33 1.59 0.61 0.49 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 21 S 9.05 5.18 0.00 3.70 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 22 C 8.92 4.76 0.00 2.82 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 23 T 9.10 4.86 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 1.15 0.00 0.00 24 A 8.49 5.16 0.73 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 25 S 8.87 4.37 0.00 3.78 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 26 G 10.80 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 0.00 0.00 0.00 27 F 6.83 4.63 0.00 3.11 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 28 N 8.49 4.62 0.00 2.71 2.74 0.00 0.00 6.63 7.72 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 29 I 8.41 4.03 1.89 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 1.43 0.91 0.76 0.00 0.00 30 K 8.31 4.03 0.00 1.85 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 31 D 8.52 4.80 0.00 3.02 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 32 T 8.03 4.94 4.31 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 0.00 0.00 0.00 1.17 0.00 0.00 33 Y 8.33 4.52 0.00 3.15 2.90 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 0.00 0.00 0.00 0.00 34 M 9.42 4.73 0.00 1.83 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.89 0.00 35 H 9.05 5.37 0.00 3.28 3.40 0.00 5.75 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 36 W 8.91 5.36 0.00 3.15 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 37 V 9.41 4.99 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 1.33 0.00 0.00 1.21 0.00 0.00 38 K 9.32 4.66 0.00 1.78 1.67 0.00 1.89 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 0.79 7.81 39 Q 8.46 5.00 0.00 2.29 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 40 R 8.55 4.42 0.00 1.83 1.84 0.00 3.26 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 41 P 0.00 4.28 0.00 2.04 2.03 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 42 E 9.09 3.86 0.00 2.15 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 0.00 2.19 2.32 0.00 43 Q 8.02 4.70 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 44 G 8.22 4.01 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 0.00 0.00 0.00 45 L 8.21 4.89 0.00 1.63 1.76 0.81 0.80 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 46 E 9.22 4.84 0.00 2.15 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 0.00 2.54 2.47 0.00 47 W 9.27 4.67 0.00 3.41 3.32 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 48 I 9.03 3.59 1.71 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 -0.30 0.08 0.52 0.00 0.00 49 G 5.57 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 0.00 0.00 0.00 50 R 7.31 5.10 0.00 1.88 1.91 0.00 2.79 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 51 I 8.73 4.91 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.63 1.04 0.00 0.00 52 D 9.12 5.06 0.00 3.03 2.80 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 52A P 0.00 4.34 0.00 2.23 2.11 0.00 3.65 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 2.27 2.13 0.00 53 A 8.03 4.18 1.35 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 0.00 0.00 54 N 7.53 4.87 0.00 2.81 2.86 0.00 0.00 7.10 6.88 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 55 G 8.76 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 56 N 8.73 4.61 0.00 2.82 2.82 0.00 0.00 6.84 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 57 S 8.72 5.22 0.00 3.61 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 58 K 8.43 4.63 0.00 1.69 1.72 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81 59 Y 8.35 5.09 0.00 2.84 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 60 V 8.63 3.91 2.41 0.00 0.00 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 1.37 0.00 0.00 61 P 0.00 4.49 0.00 2.25 2.15 0.00 3.77 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 62 K 8.03 4.03 0.00 1.62 1.81 0.00 0.61 0.00 0.00 1.31 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 0.56 7.81 63 F 8.15 4.64 0.00 3.20 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 64 Q 7.79 4.01 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 65 G 8.69 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 0.00 0.00 0.00 66 K 7.96 4.02 0.00 1.85 1.97 0.00 1.64 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.64 1.63 7.81 67 A 7.76 5.12 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 68 T 8.67 4.51 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 1.22 0.00 0.00 69 I 9.12 5.08 1.90 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 1.11 0.66 1.15 0.00 0.00 70 T 8.94 5.00 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 1.25 0.00 0.00 71 A 8.49 5.21 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 72 D 9.43 4.83 0.00 2.86 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 73 T 8.67 4.01 4.23 0.00 0.00 0.00 0.00 0.00 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 74 S 8.11 4.17 0.00 4.04 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 75 S 8.20 4.57 0.00 3.99 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 76 N 7.92 4.08 0.00 2.85 2.80 0.00 0.00 6.98 7.37 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 77 T 7.96 4.98 4.13 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 0.55 0.00 0.00 78 A 8.71 5.25 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 79 Y 9.42 5.36 0.00 2.81 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 80 L 8.44 4.44 0.00 0.27 0.13 0.44 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.87 4.86 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.53 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 82 L 8.70 5.21 0.00 1.40 1.39 0.22 0.45 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 82A T 8.22 4.74 4.20 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 1.15 0.00 0.00 82B S 8.38 3.66 0.00 3.95 3.90 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 0.00 0.00 0.00 0.00 82C L 8.01 4.30 0.00 1.76 1.60 0.93 0.43 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 83 T 8.80 4.82 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 1.26 0.00 0.00 84 S 8.43 4.26 0.00 4.04 4.18 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 85 E 7.90 4.19 0.00 2.02 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 0.00 2.36 2.43 0.00 86 D 7.89 4.78 0.00 2.95 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 87 T 7.73 4.32 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 1.24 0.00 0.00 88 A 8.56 4.31 0.92 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 0.00 0.00 89 V 7.87 4.51 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 0.34 0.00 0.00 0.88 0.00 0.00 90 Y 8.86 5.18 0.00 3.05 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 91 Y 9.72 5.54 0.00 3.21 3.17 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 92 C 9.00 5.23 0.00 2.07 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 93 A 7.75 4.73 0.15 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 94 P 0.00 4.99 0.00 1.85 2.04 0.00 3.79 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 95 F 9.16 4.95 0.00 3.03 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 96 G 9.15 4.29 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 0.00 97 Y 9.04 4.24 0.00 2.67 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 98 Y 7.85 4.56 0.00 3.11 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 99 V 7.66 4.11 1.85 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 -0.07 0.00 0.00 0.88 0.00 0.00 100 S 8.02 4.53 0.00 3.95 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 0.00 101 D 7.99 4.42 0.00 2.38 1.54 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 101A Y 7.72 4.61 0.00 2.99 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 101B A 7.35 4.07 1.15 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 101C M 8.03 3.74 0.00 1.27 1.92 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 0.00 101D A 8.20 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.32 4.86 0.00 2.85 2.80 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 0.00 103 W 8.84 4.99 0.00 3.12 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 0.00 104 G 8.83 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 0.00 105 Q 8.62 4.28 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 106 G 8.69 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 0.00 107 T 8.74 4.63 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 1.36 0.00 0.00 108 S 8.73 4.87 0.00 3.92 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 0.00 109 V 9.23 4.86 2.35 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 0.97 0.00 0.00 0.97 0.00 0.00 110 T 9.13 4.90 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 1.23 0.00 0.00 111 V 8.21 4.78 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 0.83 0.00 0.00 1.00 0.00 0.00 112 S 8.80 4.50 0.00 3.88 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 *113 S 8.51 5.22 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.