NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9356 8.3393 109.7370 45.0136 0.0000 173.0421 2 M 3.8845 8.4694 116.2016 53.8550 31.1558 174.8269 3 T 4.1584 8.0157 111.2781 60.5547 70.7922 173.4369 4 P 4.5594 0.0000 0.0000 62.7562 32.3019 175.8944 5 Q 4.3824 8.5230 114.9681 55.1655 28.8357 176.0584 6 S 3.8062 7.8549 113.1404 59.9797 60.3154 172.5229 7 D 4.9824 8.1820 115.4876 54.5989 40.8515 177.3412 8 T 3.9912 7.4093 109.7765 60.9725 69.0186 171.9828 9 P 4.3657 0.0000 0.0000 62.9043 32.2187 175.2005 10 K 4.4424 8.1332 117.3433 54.1783 34.9091 176.0828 11 V 3.5816 6.1752 124.9476 62.7805 31.7974 175.4512 12 T 4.5419 8.3221 116.0753 60.8047 70.3518 173.5902 13 G 4.1058 7.3617 107.0390 45.7133 0.0000 172.7191 14 L 5.0841 8.1516 122.0620 53.0342 45.7088 175.5710 15 K 4.7110 9.0200 122.0154 54.6448 36.8422 175.1127 16 L 5.0093 8.3903 120.6652 53.0803 45.3270 177.2449 17 K 4.6295 8.7923 119.9848 54.8064 32.7353 176.7685 18 R 4.0270 8.4880 125.8117 59.6423 29.9614 179.7652 19 K 3.8871 8.2523 117.4543 59.3428 31.9442 177.7672 20 S 4.6610 7.5995 112.0522 58.1615 64.2127 173.9215 21 R 3.8255 7.8041 116.1168 57.5699 28.2347 175.7896 22 Q 5.1394 7.7809 113.7486 54.0006 33.1248 174.3407 23 L 5.0658 8.8076 121.5896 53.4977 45.8725 174.8909 24 E 5.1300 9.2496 124.4740 54.6958 32.9549 175.0575 25 I 4.6845 8.0503 122.2185 59.4579 41.5199 174.3976 26 S 4.6406 8.3288 118.8144 56.4981 66.0157 172.8078 27 F 5.2252 8.4662 123.4501 55.5121 41.6691 174.9213 28 D 4.6462 8.5466 117.5323 54.5834 40.6571 176.2594 29 N 4.7006 8.2202 113.3405 52.4153 38.3606 174.3727 30 G 3.7857 8.7238 105.9954 46.3639 0.0000 173.3025 31 Q 4.7684 7.6940 115.4838 54.2470 33.7154 175.3427 32 Q 4.6944 8.5150 119.5474 54.7484 33.6041 173.4649 33 F 4.9498 7.7757 114.6843 56.7675 41.8348 172.7002 34 T 5.2661 8.5132 114.0902 61.9709 72.1144 173.7603 35 L 5.0120 8.9074 124.0830 52.7132 46.6216 176.0284 36 S 4.4918 8.3465 115.8252 57.8928 63.6929 175.3117 37 C 4.2830 9.0374 122.5904 62.6175 27.7478 176.2807 38 E 3.9240 8.0193 120.0220 59.2776 29.1120 178.7236 39 L 3.9055 7.6827 119.5870 58.2500 41.9504 178.4572 40 L 4.2300 7.7630 117.4892 58.3424 41.7677 179.2661 41 R 4.3019 7.6410 115.3020 58.6709 30.1233 178.6951 42 V 3.7200 7.5739 111.7670 64.0714 32.5348 177.0673 43 Y 4.3826 8.1771 119.0530 57.0560 38.2018 175.4924 44 S 4.3613 7.7647 116.6458 57.9877 63.9204 174.1071 45 P 4.3736 0.0000 0.0000 64.1895 31.4095 175.8244 46 S 4.7424 7.3570 110.4814 58.7651 65.5320 173.2984 47 A 4.5575 8.1962 124.1742 51.8551 21.4902 176.4673 48 E 4.7441 8.3559 113.9893 54.1676 29.5897 175.1759 49 V 4.1422 6.8473 116.9162 61.4310 34.6634 175.8056 50 H 5.0301 8.1138 127.4327 54.9297 32.0841 174.1924 51 G 4.0395 8.3712 110.3523 46.8872 0.0000 174.8873 52 H 4.8631 7.9826 112.1229 54.6492 30.8196 173.6577 53 G 3.9878 7.7791 110.2687 44.1503 0.0000 172.7432 54 N 4.6095 8.3657 116.5944 52.2421 38.1114 173.5354 55 P 4.6973 0.0000 0.0000 62.3778 33.3355 175.4214 56 V 4.0945 8.0205 119.7601 60.2899 33.4759 175.4705 57 L 4.1247 8.2752 122.9650 54.6726 41.9921 175.8466 58 V 4.4918 8.4088 125.0935 61.0496 34.5632 174.5028 59 T 4.4878 8.0759 114.1590 60.5951 70.7856 173.3117 60 H 4.5866 8.7077 118.9571 56.5166 29.7284 174.5229 61 K 4.6873 8.0294 119.1957 55.1877 34.3772 176.1109 62 K 4.6035 8.5845 117.3440 57.5550 34.3398 176.6539 63 N 4.6337 7.5572 110.2398 50.9720 37.9461 174.2647 64 V 3.8858 7.5865 119.1897 63.4128 32.7632 176.2896 65 N 5.0327 8.6377 118.9644 52.9772 42.9145 172.4255 66 I 4.7814 8.1954 121.6936 59.9517 38.4634 175.4609 67 N 4.9121 8.5068 122.8356 53.4725 40.8184 173.9632 68 A 4.3952 7.1095 117.6507 51.7986 22.4099 174.8414 69 I 4.9205 8.4332 119.8407 59.8093 40.1793 175.5315 70 T 4.7135 8.6087 122.7740 61.0672 72.0646 172.1229 71 P 5.0232 0.0000 0.0000 62.8669 32.9462 175.8515 72 V 4.2781 8.5692 120.0914 62.0983 35.0343 175.3529 73 G 3.7965 9.6477 114.0270 45.7646 0.0000 172.9171 74 N 4.3111 8.5808 113.7626 54.1436 36.7423 173.6890 75 Y 4.8719 8.3519 111.3424 56.5230 39.4090 173.9516 76 A 3.4340 6.8561 121.0160 51.1235 23.0578 175.4666 77 V 4.8663 8.2108 111.2485 59.5626 36.2775 175.8443 78 K 4.6858 9.1118 124.0022 56.5757 33.4110 176.3191 79 L 4.9694 8.2930 123.1379 52.6353 42.9120 175.2692 80 V 3.8083 8.4633 116.8725 61.0019 33.2156 174.8706 81 F 5.1580 8.8765 124.4457 56.2990 39.9282 176.6443 82 D 4.4853 9.2848 124.4562 57.0055 41.2905 176.7671 83 D 4.3612 8.4193 116.2973 55.5080 41.8757 175.7185 84 G 4.0368 9.5561 106.3942 46.5337 0.0000 175.4480 85 H 4.9572 7.5881 117.8996 55.7456 31.2687 172.5282 86 D 4.7329 8.3434 119.4851 53.0856 39.8815 177.7677 87 T 4.4167 7.4845 110.0154 59.9869 68.9970 172.6678 88 G 4.2639 8.0832 116.1619 45.0851 0.0000 169.5689 89 L 4.9359 7.7796 117.4603 53.4131 46.0701 176.0625 90 Y 4.5071 8.9120 119.5274 56.4277 41.3463 174.7522 91 S 4.1692 8.4398 120.8920 57.1873 64.3665 175.5766 92 W 4.8757 7.8332 121.2261 60.2237 28.8059 178.6269 93 K 4.0600 8.4806 118.8615 59.8368 31.4783 178.5654 94 V 3.6633 8.1180 118.3847 66.2339 31.4946 178.0006 95 L 4.1777 8.2167 118.1855 58.0098 41.5018 178.7566 96 Y 4.0403 8.3574 119.3465 60.6740 38.5672 177.2921 97 D 4.3216 8.3989 118.4768 57.1310 41.5489 177.9431 98 L 3.8804 8.2186 119.5771 57.7038 41.4716 179.2040 99 A 3.8219 7.6675 120.5280 55.4233 18.2334 179.0480 100 S 4.3415 8.1746 109.6528 60.3735 63.1723 174.6408 101 N 5.0481 8.2313 117.6636 52.3265 39.8748 175.4556 102 Q 4.2592 8.3010 114.3328 57.4757 28.8388 175.7160 103 V 4.3184 7.5029 117.4434 64.7712 33.7223 176.5433 104 D 4.3686 7.9186 116.6045 57.5497 41.1334 178.3686 105 L 4.3651 7.8993 117.1882 56.3705 41.9754 178.9501 106 W 4.8541 8.1835 128.7402 60.7270 30.9891 177.3793 107 E 3.7945 8.6146 118.9841 59.6196 28.7939 178.8072 108 N 4.0620 8.0466 116.5931 57.2159 38.7793 176.4416 109 Y 3.6522 8.2072 117.8007 60.8919 36.9588 177.9774 110 L 3.7836 7.4105 119.1273 57.5704 41.4660 179.3277 111 A 3.8254 7.9557 120.6907 55.3266 18.3038 180.0418 112 R 3.7854 7.9302 115.4624 58.7284 30.3356 178.6139 113 L 4.0392 8.0027 121.0270 58.5213 41.4674 179.4134 114 R 3.9151 7.4974 112.5023 59.1428 29.3443 178.4157 115 A 4.0586 7.6992 119.9671 53.7387 18.4097 178.2293 116 A 4.4130 7.7682 117.0890 50.5581 20.6730 176.4196 117 K 3.6139 7.5433 114.5704 57.1792 30.1863 174.7766 118 A 4.4131 7.6200 120.2003 50.8403 20.5662 177.1739 119 S 4.5072 8.1776 115.9356 58.9068 64.0299 176.0709 120 R 4.4613 8.0671 116.8824 54.6621 29.2410 174.5781 121 E 4.3494 8.4077 127.1255 56.1840 31.1721 174.4051 122 P 4.4911 0.0000 0.0000 62.7653 32.5546 175.6212 123 L 4.6005 8.5246 126.8543 53.8090 44.0921 174.6434 124 I 4.6032 8.1761 126.5085 59.7618 39.8782 174.2208 125 D 4.7154 8.1508 120.6752 53.8006 44.1765 174.8816 126 M 4.7252 8.4133 116.6241 55.6626 34.2831 174.4660 127 A 4.7273 8.1772 119.2263 52.1512 19.5450 177.2703 128 V 3.8136 7.7849 118.2029 64.3409 32.2307 175.4740 129 K 4.8816 8.2092 123.9003 55.1515 35.5335 176.3082 130 Y 4.5923 8.3196 118.3840 56.2962 38.9465 173.6551 131 H 4.8675 7.6467 116.8279 54.7847 32.0778 174.2754 132 T 3.7730 8.7289 115.0805 62.7952 68.1865 171.5401 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 G 8.34 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 2 M 8.47 3.88 0.00 2.22 2.11 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 2.58 2.54 0.00 3 T 8.02 4.16 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 4 P 0.00 4.56 0.00 2.21 2.12 0.00 3.76 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 2.00 1.99 0.00 5 Q 8.52 4.38 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 6 S 7.85 3.81 0.00 4.09 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 7 D 8.18 4.98 0.00 2.68 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 8 T 7.41 3.99 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 1.32 0.00 0.00 9 P 0.00 4.37 0.00 1.37 1.78 0.00 3.60 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.44 0.00 10 K 8.13 4.44 0.00 1.77 1.72 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.83 7.81 11 V 6.18 3.58 0.67 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 0.24 0.00 0.00 0.01 0.00 0.00 12 T 8.32 4.54 4.14 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 0.00 0.00 0.00 1.24 0.00 0.00 13 G 7.36 4.11 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 0.00 0.00 0.00 14 L 8.15 5.08 0.00 1.37 1.41 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.02 4.71 0.00 1.51 1.55 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.45 7.81 16 L 8.39 5.01 0.00 1.42 1.49 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.79 4.63 0.00 1.70 1.84 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.36 1.48 7.81 18 R 8.49 4.03 0.00 2.03 2.34 0.00 2.99 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 19 K 8.25 3.89 0.00 1.74 1.94 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.43 7.81 20 S 7.60 4.66 0.00 3.79 3.76 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 21 R 7.80 3.83 0.00 2.02 1.94 0.00 3.28 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 22 Q 7.78 5.14 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 23 L 8.81 5.07 0.00 1.56 1.35 0.72 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.25 5.13 0.00 1.76 1.66 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 2.15 2.17 0.00 25 I 8.05 4.68 0.80 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 0.79 1.02 -0.23 0.00 0.00 26 S 8.33 4.64 0.00 3.59 3.38 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 0.00 27 F 8.47 5.23 0.00 2.91 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 28 D 8.55 4.65 0.00 2.62 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 29 N 8.22 4.70 0.00 2.81 2.83 0.00 0.00 5.96 6.86 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 30 G 8.72 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 31 Q 7.69 4.77 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.50 6.90 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 32 Q 8.52 4.69 0.00 1.78 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 33 F 7.78 4.95 0.00 3.06 3.05 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 34 T 8.51 5.27 4.30 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 1.21 0.00 0.00 35 L 8.91 5.01 0.00 1.55 1.51 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.35 4.49 0.00 3.70 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 37 C 9.04 4.28 0.00 3.07 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 38 E 8.02 3.92 0.00 1.83 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 0.00 2.40 2.49 0.00 39 L 7.68 3.91 0.00 1.56 1.76 1.24 0.63 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 40 L 7.76 4.23 0.00 2.00 2.17 1.06 0.66 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 41 R 7.64 4.30 0.00 1.49 1.71 0.00 3.17 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.52 0.00 42 V 7.57 3.72 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 0.75 0.00 0.00 0.51 0.00 0.00 43 Y 8.18 4.38 0.00 3.14 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 44 S 7.76 4.36 0.00 3.98 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 45 P 0.00 4.37 0.00 2.15 2.13 0.00 3.63 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 46 S 7.36 4.74 0.00 3.89 3.68 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 0.00 0.00 0.00 0.00 47 A 8.20 4.56 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 48 E 8.36 4.74 0.00 2.03 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 2.14 2.24 0.00 49 V 6.85 4.14 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 0.93 0.00 0.00 0.92 0.00 0.00 50 H 8.11 5.03 0.00 3.06 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.37 4.04 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 52 H 7.98 4.86 0.00 3.10 3.26 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.78 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 54 N 8.37 4.61 0.00 2.67 2.85 0.00 0.00 5.97 7.73 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 55 P 0.00 4.70 0.00 2.13 2.26 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 56 V 8.02 4.09 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 0.71 0.00 0.00 0.91 0.00 0.00 57 L 8.28 4.12 0.00 1.57 1.60 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.41 4.49 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 1.00 0.00 0.00 1.03 0.00 0.00 59 T 8.08 4.49 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 1.26 0.00 0.00 60 H 8.71 4.59 0.00 3.22 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.03 4.69 0.00 1.49 1.73 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.45 7.81 62 K 8.58 4.60 0.00 1.85 1.92 0.00 1.23 0.00 0.00 1.13 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.31 1.30 7.81 63 N 7.56 4.63 0.00 2.78 2.83 0.00 0.00 6.02 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 64 V 7.59 3.89 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 0.76 0.00 0.00 1.00 0.00 0.00 65 N 8.64 5.03 0.00 2.77 2.67 0.00 0.00 6.94 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 66 I 8.20 4.78 1.77 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 0.88 0.61 0.82 0.00 0.00 67 N 8.51 4.91 0.00 2.81 2.78 0.00 0.00 7.02 8.42 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 68 A 7.11 4.40 1.17 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 0.00 0.00 69 I 8.43 4.92 1.83 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 1.23 0.63 0.93 0.00 0.00 70 T 8.61 4.71 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 1.22 0.00 0.00 71 P 0.00 5.02 0.00 2.16 2.16 0.00 3.74 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 2.03 2.01 0.00 72 V 8.57 4.28 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 1.06 0.00 0.00 0.98 0.00 0.00 73 G 9.65 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 74 N 8.58 4.31 0.00 2.89 2.97 0.00 0.00 6.95 7.60 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 75 Y 8.35 4.87 0.00 3.04 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 76 A 6.86 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.21 4.87 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 1.05 0.00 0.00 78 K 9.11 4.69 0.00 1.86 1.72 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.43 7.81 79 L 8.29 4.97 0.00 0.95 1.00 -0.18 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.46 3.81 2.05 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 0.65 0.00 0.00 0.94 0.00 0.00 81 F 8.88 5.16 0.00 3.26 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 82 D 9.28 4.49 0.00 2.69 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 83 D 8.42 4.36 0.00 2.68 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 84 G 9.56 4.04 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 85 H 7.59 4.96 0.00 3.11 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.34 4.73 0.00 2.83 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 87 T 7.48 4.42 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 1.21 0.00 0.00 88 G 8.08 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 89 L 7.78 4.94 0.00 1.41 1.41 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.91 4.51 0.00 3.02 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 91 S 8.44 4.17 0.00 3.65 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 92 W 7.83 4.88 0.00 3.50 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.06 0.00 1.95 1.92 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.60 7.81 94 V 8.12 3.66 2.32 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 1.14 0.00 0.00 0.96 0.00 0.00 95 L 8.22 4.18 0.00 2.07 1.97 1.34 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 8.36 4.04 0.00 3.38 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 97 D 8.40 4.32 0.00 2.94 2.66 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 98 L 8.22 3.88 0.00 1.89 1.65 1.07 0.58 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 99 A 7.67 3.82 0.49 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 0.00 0.00 100 S 8.17 4.34 0.00 3.87 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 0.00 101 N 8.23 5.05 0.00 2.74 2.71 0.00 0.00 6.86 6.99 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 0.00 102 Q 8.30 4.26 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.11 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 103 V 7.50 4.32 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 1.10 0.00 0.00 0.94 0.00 0.00 104 D 7.92 4.37 0.00 2.77 2.68 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 0.00 0.00 0.00 0.00 105 L 7.90 4.37 0.00 1.92 2.04 0.66 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 W 8.18 4.85 0.00 3.56 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 0.00 107 E 8.61 3.79 0.00 2.16 1.99 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 2.32 2.49 0.00 108 N 8.05 4.06 0.00 2.91 2.81 0.00 0.00 7.14 7.28 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 0.00 109 Y 8.21 3.65 0.00 2.68 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 0.00 110 L 7.41 3.78 0.00 1.56 1.58 0.61 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.96 3.83 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 0.00 112 R 7.93 3.79 0.00 1.65 1.89 0.00 3.04 0.00 0.00 2.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 113 L 8.00 4.04 0.00 1.80 1.87 0.97 0.83 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 0.00 114 R 7.50 3.92 0.00 2.03 2.14 0.00 2.80 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 115 A 7.70 4.06 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 0.00 116 A 7.77 4.41 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 0.00 117 K 7.54 3.61 0.00 1.89 1.86 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.39 7.81 118 A 7.62 4.41 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 0.00 119 S 8.18 4.51 0.00 3.92 3.92 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 0.00 120 R 8.07 4.46 0.00 1.64 1.73 0.00 3.05 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 121 E 8.41 4.35 0.00 1.98 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 2.39 0.00 122 P 0.00 4.49 0.00 2.14 2.23 0.00 3.70 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 2.09 1.98 0.00 123 L 8.52 4.60 0.00 1.78 1.58 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.18 4.60 1.88 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 1.32 0.68 0.93 0.00 0.00 125 D 8.15 4.72 0.00 2.47 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 M 8.41 4.73 0.00 1.95 1.96 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 2.49 2.54 0.00 127 A 8.18 4.73 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 0.00 128 V 7.78 3.81 2.23 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 0.95 0.00 0.00 1.01 0.00 0.00 129 K 8.21 4.88 0.00 1.70 1.73 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.60 7.81 130 Y 8.32 4.59 0.00 2.91 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 0.00 131 H 7.65 4.87 0.00 3.21 3.27 0.00 5.87 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 0.00 132 T 8.73 3.77 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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