NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.3580 8.3293 119.1171 54.1208 29.9864 174.7571 6 P 4.3875 0.0000 0.0000 60.2317 32.6899 175.4616 7 L 4.0725 8.8980 123.6856 59.1708 42.7723 180.9172 8 E 4.9000 7.9925 117.0984 59.6782 29.8332 180.4546 9 K 4.3816 7.6822 116.3692 59.9384 32.1972 179.1751 10 I 3.9507 7.6363 118.7846 62.8531 37.7446 175.7055 11 A 3.4345 6.9963 119.7318 50.4766 22.6775 174.5508 12 P 4.4439 0.0000 0.0000 62.2678 29.7239 176.8671 13 Y 3.9793 7.1057 115.9754 57.9534 38.8195 175.4497 14 P 4.3541 0.0000 0.0000 62.5497 32.1072 176.2388 15 Q 4.2673 8.3430 119.5393 55.0266 29.5366 176.0422 16 A 4.3020 8.7071 124.8247 52.2271 18.8886 177.5966 17 E 3.9950 9.0185 126.8479 56.4311 30.3852 176.8904 18 K 4.0665 8.6013 126.8012 56.6456 32.1584 175.3620 19 G 4.0829 9.2703 111.9601 44.3844 0.0000 172.7315 20 M 5.0464 7.7111 118.3117 53.3810 34.8694 174.5625 21 K 4.7652 9.0358 118.1593 55.4878 36.7296 175.0212 22 R 4.4594 8.4128 121.1589 54.5683 31.8667 174.9411 23 Q 4.6563 8.8735 125.0933 53.9685 32.6773 174.5667 24 V 4.7073 8.2181 121.5719 61.1155 34.5967 174.3581 25 I 4.3256 8.5210 128.5422 59.4187 39.4578 174.2412 26 Q 4.6065 8.3507 127.4932 54.1443 31.4589 174.5328 27 L 4.3027 8.2432 126.5488 53.9658 42.7613 177.0495 28 T 4.0890 8.3392 118.6571 62.7729 69.0606 172.8736 29 P 4.8198 0.0000 0.0000 62.3705 31.8960 175.8546 30 Q 4.7107 9.0513 124.0212 54.2238 32.1904 176.0610 31 E 4.1434 8.9195 116.4904 58.9250 29.9796 178.4389 32 D 4.7327 7.5229 119.1658 51.9296 41.3452 175.0648 33 E 4.0554 8.4157 120.5495 57.2836 29.8954 178.3804 34 S 4.3333 8.1157 113.9250 60.6986 63.7061 174.5775 35 T 4.5594 7.9425 111.1110 61.4339 68.9624 173.7173 36 L 5.3714 7.6480 119.8418 54.0304 45.6019 175.8643 37 K 5.0065 9.3684 120.1810 55.1748 37.4300 175.4604 38 V 5.0570 9.0205 115.0488 59.7018 35.4379 174.2679 39 E 5.1230 9.4447 125.6999 54.4743 31.9988 174.5534 40 L 4.7414 8.8361 127.8174 54.1172 42.9836 176.4509 41 L 4.6906 9.1941 124.4193 53.2387 44.0070 174.9953 42 I 4.7460 7.7817 125.0217 59.7598 39.6303 175.7576 43 G 3.7232 8.3324 111.7457 46.3616 0.0000 171.7650 44 Q 4.9175 7.6860 117.9483 54.5012 33.6074 174.8517 45 T 4.9322 8.7292 119.7018 62.9281 69.2274 174.0841 46 L 4.8535 9.1664 126.7600 52.7001 45.7416 175.7322 47 E 5.0217 8.6518 120.9644 55.6305 30.2121 176.3080 48 V 4.5199 8.9845 124.6461 59.8510 35.1184 176.3482 49 D 5.0140 8.4310 122.1358 53.1619 41.3540 174.8544 50 C 4.5150 8.6749 112.8788 56.9462 42.2669 173.1363 51 N 4.7424 8.3792 118.7020 52.8123 39.4639 174.7261 52 L 4.3361 8.6089 120.8572 55.1895 42.8410 176.2306 53 H 5.8208 8.5620 118.5478 53.3555 32.8451 172.8944 54 R 4.8622 8.2623 118.2280 54.8749 34.4646 174.6536 55 L 4.6175 8.7087 122.1537 54.3937 43.8669 175.9350 56 G 4.4176 8.5123 107.8312 44.8413 0.0000 172.7412 57 G 4.3541 8.7892 113.5695 45.6880 0.0000 172.6444 58 K 4.7496 8.4942 125.4669 53.0068 34.7995 175.7145 59 L 4.9512 8.5123 126.1695 53.5590 43.1936 175.2839 60 E 4.7286 9.3091 126.4906 54.7808 31.9408 174.3696 61 N 4.9666 8.6479 122.1953 52.0819 40.7151 173.8954 62 K 4.5138 8.6229 123.8778 54.7999 36.9579 175.1714 63 T 4.9884 7.8610 117.0405 61.5932 72.3739 173.7142 64 L 4.3285 9.5633 131.3527 55.1441 42.8268 176.7288 65 E 4.2922 8.8153 123.6585 57.3597 30.0773 174.4561 66 G 3.9659 9.1007 112.1139 44.2336 0.0000 173.7072 67 W 4.0388 8.2350 118.2653 55.9210 30.9526 177.3750 68 G 4.0234 8.4023 104.2890 45.3490 0.0000 172.7000 69 Y 4.8382 7.6553 118.0816 57.8990 39.2627 174.4982 70 D 5.3248 8.8794 123.5371 53.9536 42.5026 175.1041 71 Y 4.9927 8.3622 119.2146 55.8163 42.4827 173.2254 72 Y 5.1441 9.3962 117.1098 56.1740 42.0910 175.0393 73 V 5.0134 8.9579 123.4058 61.1584 34.0717 174.0807 74 F 5.1004 9.4514 132.4416 57.6407 40.1945 174.3911 75 D 4.6806 8.2260 125.7865 50.7902 42.2194 174.9376 76 K 4.0309 8.6472 124.8658 57.2245 32.2035 174.8992 77 V 4.1814 8.7632 126.2817 64.3008 33.1486 175.5348 78 S 4.8268 7.6459 112.8687 55.9052 65.9235 173.7119 79 S 4.3827 8.2594 115.5202 57.5497 63.3804 172.2407 80 P 4.6822 0.0000 0.0000 63.1118 32.1024 175.8869 81 V 4.6497 8.7242 114.3223 59.9889 35.5678 174.6869 82 S 5.5789 8.5019 115.3059 56.9006 65.4882 173.6243 83 T 4.2659 8.3612 115.7723 61.1743 70.2014 173.6218 84 M 4.7587 8.1035 119.2469 55.0975 32.7812 176.3479 85 M 4.3117 8.3975 117.4525 54.6278 33.3782 176.3785 86 A 4.5334 8.2278 124.0039 51.3141 20.3246 177.5618 87 C 5.0308 8.3529 118.0391 54.3628 42.9535 172.2103 88 P 4.3124 0.0000 0.0000 65.7613 31.1952 176.7367 89 D 4.5541 7.6448 116.7770 52.0336 43.5402 177.6504 *92 K 4.3106 8.5363 127.0889 54.4575 33.3865 171.9077 93 E 4.9037 8.8547 117.3421 56.5651 34.9831 175.4102 *94 K 4.6892 8.6655 123.9122 56.3196 32.6592 176.3216 95 K 4.6594 9.2515 128.6401 52.7237 36.7030 171.7668 96 F 4.8641 8.9663 127.2822 57.2839 39.5983 174.4697 97 V 3.9976 8.7177 127.9173 62.2519 32.9213 174.9418 98 T 4.8812 8.2383 123.1669 61.5615 71.7571 173.2090 99 A 4.9536 8.1185 126.0682 50.8614 19.8004 176.7133 100 Y 4.3783 8.6882 122.7730 57.1445 39.4342 175.1091 101 L 4.3406 8.2125 126.2804 53.8133 44.6415 178.6885 102 G 3.3415 6.8324 108.8306 46.3780 0.0000 176.5790 103 D 4.2389 8.4934 118.3380 55.8563 40.0525 175.6515 104 A 4.1746 8.0111 119.4395 54.0012 18.4698 177.5746 105 G 3.9380 7.9767 102.2546 45.7525 0.0000 172.6880 106 M 4.9358 8.2402 121.3375 53.9315 32.8730 175.0599 107 L 4.8408 8.8549 126.6129 52.3386 45.2761 176.3154 108 R 4.2863 8.4905 121.4474 56.8119 30.9482 175.2407 109 Y 4.2539 8.6233 127.2098 56.8981 39.9475 174.4975 110 N 5.0330 8.4012 125.3868 51.8489 40.4436 174.5202 111 S 4.3189 9.5326 121.3415 59.7071 63.5132 176.8252 112 K 4.0487 8.0321 120.4681 58.4366 32.0243 177.0860 113 L 4.7568 7.0787 116.1392 51.6556 44.8722 174.4255 114 P 4.6490 0.0000 0.0000 62.3162 32.5378 175.4593 115 I 4.2937 8.2754 123.0029 60.2606 38.9255 174.8036 116 V 4.5313 8.5015 126.5494 60.9879 34.2150 174.0253 117 V 5.1108 8.8468 128.2460 61.4111 34.6105 173.5130 118 Y 5.0448 9.6898 126.0826 56.7571 39.8240 174.9326 119 T 5.2336 8.8132 113.8575 58.8034 72.9180 171.6777 120 P 4.7672 0.0000 0.0000 62.9261 32.0484 177.2390 121 D 4.4028 8.6483 122.5747 57.5189 40.8605 177.7282 122 N 4.7228 8.1114 113.1998 52.8008 37.8972 174.4560 123 V 4.6489 7.6439 119.1120 61.4570 34.0005 174.3595 124 D 5.1340 9.1669 126.5944 52.5354 44.2367 175.0735 125 V 4.7121 8.5127 121.1051 61.2825 33.4504 174.7054 126 K 4.9111 9.1280 126.8256 55.0530 36.2791 174.1366 127 Y 5.3041 7.6865 117.2327 56.4309 40.6152 173.9218 128 R 4.6233 9.1125 119.9079 54.7084 34.0352 173.8130 129 V 5.0480 8.4221 123.9999 61.3030 33.6658 174.7256 130 W 4.7947 9.5259 128.8282 55.3670 32.2418 175.2609 131 K 5.1693 8.6691 126.2916 53.1716 34.3926 174.1133 132 A 4.3532 8.7613 126.7878 51.1162 19.1429 177.1900 133 E 4.3379 8.8040 121.9223 56.2821 30.9030 177.9911 134 E 4.4115 8.2269 118.8794 52.8243 28.4411 175.7742 135 K 4.4103 7.1485 120.3340 56.0977 34.6100 175.2619 136 I 4.5085 8.4543 122.1945 59.6717 40.0431 174.5328 137 D 5.0263 8.6062 123.9357 52.5287 43.8107 174.7013 138 N 4.9789 8.2565 116.2455 51.2991 41.2186 174.8804 139 A 4.3187 8.3906 124.3497 52.0819 19.4095 176.9900 140 V 4.4405 7.8846 112.0030 59.4157 34.3828 176.0121 141 V 4.0132 8.1839 122.6777 62.2580 32.0913 176.2657 142 R 4.2088 8.3110 125.1589 56.6547 31.0461 174.7773 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 5 Q 8.33 4.36 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 6 P 0.00 4.39 0.00 2.29 2.19 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 7 L 8.90 4.07 0.00 1.75 1.79 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.99 4.90 0.00 2.11 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 0.00 2.23 1.82 0.00 9 K 7.68 4.38 0.00 1.90 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 10 I 7.64 3.95 2.15 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 1.60 0.63 0.95 0.00 0.00 11 A 7.00 3.43 0.21 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 12 P 0.00 4.44 0.00 2.05 2.00 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.91 0.00 13 Y 7.11 3.98 0.00 2.99 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 14 P 0.00 4.35 0.00 1.70 1.83 0.00 3.33 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.86 0.00 15 Q 8.34 4.27 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 16 A 8.71 4.30 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 17 E 9.02 4.00 0.00 2.02 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 2.40 2.32 0.00 18 K 8.60 4.07 0.00 1.81 1.62 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.03 7.81 19 G 9.27 4.08 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 0.00 0.00 0.00 20 M 7.71 5.05 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 21 K 9.04 4.77 0.00 1.70 1.85 0.00 1.25 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.37 7.81 22 R 8.41 4.46 0.00 1.40 1.57 0.00 2.91 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 23 Q 8.87 4.66 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 24 V 8.22 4.71 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 0.64 0.00 0.00 0.71 0.00 0.00 25 I 8.52 4.33 1.50 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.35 -0.16 0.00 0.00 26 Q 8.35 4.61 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 27 L 8.24 4.30 0.00 1.26 0.98 0.16 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.34 4.09 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 1.30 0.00 0.00 29 P 0.00 4.82 0.00 2.08 2.04 0.00 3.71 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 30 Q 9.05 4.71 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.15 0.00 31 E 8.92 4.14 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 2.24 1.89 0.00 32 D 7.52 4.73 0.00 2.66 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 0.00 0.00 0.00 0.00 33 E 8.42 4.06 0.00 2.07 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 0.00 2.25 2.49 0.00 34 S 8.12 4.33 0.00 3.99 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 35 T 7.94 4.56 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 1.21 0.00 0.00 36 L 7.65 5.37 0.00 1.38 1.28 -0.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 37 K 9.37 5.01 0.00 1.73 1.79 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.56 7.81 38 V 9.02 5.06 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 0.68 0.00 0.00 0.84 0.00 0.00 39 E 9.44 5.12 0.00 2.24 2.28 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 2.34 2.32 0.00 40 L 8.84 4.74 0.00 1.48 1.55 0.65 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.19 4.69 0.00 1.68 1.81 0.98 0.85 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 42 I 7.78 4.75 1.45 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 1.15 0.64 -0.03 0.00 0.00 43 G 8.33 3.72 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 0.00 0.00 0.00 44 Q 7.69 4.92 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.26 0.00 45 T 8.73 4.93 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 1.28 0.00 0.00 46 L 9.17 4.85 0.00 1.46 1.48 0.88 0.75 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 47 E 8.65 5.02 0.00 1.84 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 2.28 2.24 0.00 48 V 8.98 4.52 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 0.73 0.00 0.00 0.61 0.00 0.00 49 D 8.43 5.01 0.00 2.83 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 50 C 8.67 4.51 0.00 3.11 3.25 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 51 N 8.38 4.74 0.00 2.72 2.64 0.00 0.00 6.97 8.47 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 52 L 8.61 4.34 0.00 1.55 1.56 0.90 1.34 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 53 H 8.56 5.82 0.00 2.91 3.11 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.26 4.86 0.00 1.74 1.80 0.00 3.10 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 55 L 8.71 4.62 0.00 1.77 1.69 0.91 0.60 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 56 G 8.51 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 4.35 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 0.00 58 K 8.49 4.75 0.00 1.42 1.66 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.22 7.81 59 L 8.51 4.95 0.00 1.78 1.68 1.16 0.89 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 60 E 9.31 4.73 0.00 1.92 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 0.00 2.22 2.38 0.00 61 N 8.65 4.97 0.00 2.79 2.64 0.00 0.00 6.85 6.68 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 62 K 8.62 4.51 0.00 0.79 0.74 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.03 1.18 7.81 63 T 7.86 4.99 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 1.29 0.00 0.00 64 L 9.56 4.33 0.00 2.02 1.64 0.84 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.82 4.29 0.00 2.03 1.74 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 2.23 1.88 0.00 66 G 9.10 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 67 W 8.23 4.04 0.00 3.18 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 68 G 8.40 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 69 Y 7.66 4.84 0.00 2.90 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 70 D 8.88 5.32 0.00 2.59 2.30 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 71 Y 8.36 4.99 0.00 3.37 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 72 Y 9.40 5.14 0.00 3.07 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 73 V 8.96 5.01 2.14 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 1.10 0.00 0.00 1.03 0.00 0.00 74 F 9.45 5.10 0.00 3.11 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 75 D 8.23 4.68 0.00 2.64 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 76 K 8.65 4.03 0.00 1.81 1.77 0.00 1.77 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.59 1.47 7.81 77 V 8.76 4.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.90 0.00 0.00 78 S 7.65 4.83 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 79 S 8.26 4.38 0.00 3.99 3.88 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 P 0.00 4.68 0.00 1.98 2.04 0.00 3.63 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 2.04 2.14 0.00 81 V 8.72 4.65 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 0.84 0.00 0.00 1.01 0.00 0.00 82 S 8.50 5.58 0.00 3.84 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 83 T 8.36 4.27 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 1.18 0.00 0.00 84 M 8.10 4.76 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 85 M 8.40 4.31 0.00 1.99 2.14 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 2.60 2.47 0.00 86 A 8.23 4.53 1.23 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 0.00 0.00 0.00 87 C 8.35 5.03 0.00 2.94 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 88 P 0.00 4.31 0.00 2.04 2.12 0.00 3.64 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 2.03 2.10 0.00 89 D 7.64 4.55 0.00 2.63 2.37 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 *92 K 8.54 4.31 0.00 1.79 1.68 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 93 E 8.85 4.90 0.00 1.58 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 2.14 2.13 0.00 *94 K 8.67 4.69 0.00 1.53 1.64 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.69 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 1.01 7.81 95 K 9.25 4.66 0.00 1.33 1.63 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.26 7.81 96 F 8.97 4.86 0.00 2.98 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 97 V 8.72 4.00 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 0.91 0.00 0.00 0.89 0.00 0.00 98 T 8.24 4.88 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 1.24 0.00 0.00 99 A 8.12 4.95 1.40 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 0.00 0.00 0.00 100 Y 8.69 4.38 0.00 2.91 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 0.00 101 L 8.21 4.34 0.00 1.53 1.60 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 G 6.83 3.34 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 0.00 103 D 8.49 4.24 0.00 2.62 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 0.00 104 A 8.01 4.17 1.31 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 0.00 0.00 0.00 105 G 7.98 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 0.00 106 M 8.24 4.94 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 107 L 8.85 4.84 0.00 1.48 1.49 0.40 0.45 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 0.00 108 R 8.49 4.29 0.00 1.87 1.88 0.00 3.46 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 109 Y 8.62 4.25 0.00 3.08 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 0.00 110 N 8.40 5.03 0.00 2.80 2.61 0.00 0.00 6.93 7.63 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 0.00 111 S 9.53 4.32 0.00 4.13 4.34 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 0.00 112 K 8.03 4.05 0.00 1.91 1.92 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 113 L 7.08 4.76 0.00 1.55 1.37 0.41 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.65 0.00 1.85 2.01 0.00 3.26 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 115 I 8.28 4.29 1.67 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.55 0.85 0.00 0.00 116 V 8.50 4.53 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 0.72 0.00 0.00 0.18 0.00 0.00 117 V 8.85 5.11 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 1.15 0.00 0.00 0.97 0.00 0.00 118 Y 9.69 5.04 0.00 3.07 2.99 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 0.00 119 T 8.81 5.23 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 120 P 0.00 4.77 0.00 2.21 2.11 0.00 3.94 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 121 D 8.65 4.40 0.00 2.72 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 0.00 122 N 8.11 4.72 0.00 2.84 2.95 0.00 0.00 5.74 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 0.00 123 V 7.64 4.65 2.27 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 0.63 0.00 0.00 1.05 0.00 0.00 124 D 9.17 5.13 0.00 2.80 2.54 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 0.00 125 V 8.51 4.71 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 0.82 0.00 0.00 0.91 0.00 0.00 126 K 9.13 4.91 0.00 1.73 1.50 0.00 0.61 0.00 0.00 1.27 0.00 0.00 2.24 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.04 0.92 7.81 127 Y 7.69 5.30 0.00 3.05 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 0.00 128 R 9.11 4.62 0.00 1.86 1.84 0.00 3.23 0.00 0.00 2.94 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.41 0.00 129 V 8.42 5.05 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 0.98 0.00 0.00 1.28 0.00 0.00 130 W 9.53 4.79 0.00 3.29 3.15 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 0.00 131 K 8.67 5.17 0.00 1.49 1.53 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 0.97 7.81 132 A 8.76 4.35 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 0.00 133 E 8.80 4.34 0.00 2.00 1.90 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 2.29 2.31 0.00 134 E 8.23 4.41 0.00 1.98 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 2.19 1.86 0.00 135 K 7.15 4.41 0.00 1.82 1.78 0.00 1.51 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.22 7.81 136 I 8.45 4.51 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 1.42 0.68 0.92 0.00 0.00 137 D 8.61 5.03 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.26 4.98 0.00 2.67 2.69 0.00 0.00 6.83 7.35 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 0.00 139 A 8.39 4.32 1.25 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 0.00 0.00 140 V 7.88 4.44 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 0.75 0.00 0.00 0.93 0.00 0.00 141 V 8.18 4.01 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 0.80 0.00 0.00 0.93 0.00 0.00 142 R 8.31 4.21 0.00 1.78 1.74 0.00 3.29 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.