NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.5293 8.3044 118.1944 55.2156 33.3773 175.4755 5 S 4.4226 7.6692 114.6548 55.7304 64.5506 171.0710 6 L 4.6350 9.3375 128.6907 55.4770 43.4515 174.7917 7 Y 5.1593 9.5243 123.6216 56.1431 42.4717 174.4193 8 R 5.1578 8.8829 120.9066 54.5519 33.8211 173.6768 9 L 5.2224 9.3137 127.6688 53.3347 45.3025 174.7975 10 I 5.1074 8.9073 127.3920 59.7565 40.0009 174.2809 11 Y 5.4086 8.6499 123.7264 55.6258 42.0254 173.8367 12 S 5.3773 9.2612 114.8067 56.9599 66.8957 172.6854 13 S 5.0212 9.0149 114.2255 57.6566 67.2711 172.6420 14 Q 4.7616 9.0281 120.0233 53.9986 29.9923 176.1709 15 G 4.3561 8.8617 112.7073 45.8117 0.0000 173.3297 16 I 4.1599 8.6409 115.6752 59.6668 38.1993 175.6386 17 P 4.3726 0.0000 0.0000 65.6915 31.1257 176.5785 18 N 4.7454 7.5749 114.8411 53.1774 38.2549 174.6830 19 L 4.3252 7.8652 119.5386 54.6065 42.1678 176.3867 20 Q 4.6999 8.2427 122.3688 53.1084 31.6886 174.6448 21 P 4.3010 0.0000 0.0000 66.5116 31.1303 178.9779 22 Q 4.0080 7.9822 115.9930 58.8152 28.6983 178.2713 23 D 4.3518 7.7193 119.3077 57.2075 40.7630 178.7504 24 L 4.0096 7.8826 121.5045 58.4090 41.7397 180.2442 25 K 4.0467 7.9242 125.9538 60.2956 31.5445 181.4259 26 D 4.5789 8.0875 121.2779 58.4402 39.7423 182.0176 27 I 3.8125 7.7541 121.2487 64.0556 37.0410 178.1333 28 L 3.9528 8.1663 123.6894 58.8532 41.9556 179.3395 29 E 3.9633 8.1658 118.0038 61.3187 29.6234 181.0733 30 S 4.3055 8.1249 116.6254 61.4282 62.8743 177.0170 31 S 4.1247 8.0967 116.7566 61.8006 62.4567 176.5861 32 Q 4.0685 8.2466 122.0492 57.4781 28.4320 178.0884 33 R 4.1406 7.5478 118.8259 58.5632 29.7420 177.5563 34 N 4.5783 8.2510 115.9250 55.6829 39.0579 176.8333 35 N 4.2783 8.2230 118.1640 56.2003 38.7102 175.1014 36 P 4.2089 0.0000 0.0000 66.0115 31.2579 178.4159 37 A 4.1090 7.3638 118.0821 54.6240 18.2349 178.3361 38 N 4.7899 8.1011 113.4739 52.3826 38.6314 176.3043 39 G 4.0118 7.7734 107.8970 46.0782 0.0000 173.9074 40 I 4.3660 7.2071 121.8529 60.6405 37.9839 175.3539 41 T 5.1038 9.5958 114.3117 59.0298 70.9084 173.9420 42 G 3.9741 7.4713 106.1573 46.1201 0.0000 170.5791 43 L 4.8838 7.4213 120.8006 53.8198 45.8717 175.2736 44 L 5.1042 9.2163 128.5126 53.5733 44.5446 174.5990 45 C 5.4862 9.7297 123.9290 58.1159 31.8404 172.1958 46 Y 4.9746 9.4107 124.4563 56.1333 40.9477 174.1824 47 S 4.9481 8.2208 122.3194 54.2860 63.7198 171.4312 48 K 3.2790 7.3048 124.0864 54.9401 32.3321 174.0536 49 P 4.5214 0.0000 0.0000 62.9071 32.7993 175.3176 50 A 4.7001 7.8962 123.6479 51.8121 20.2854 176.3386 51 F 5.4162 9.0465 118.8501 55.6363 42.1040 174.5245 52 L 5.0783 9.1353 125.0627 53.2855 44.7867 174.8650 53 Q 5.0535 8.3998 126.8638 54.0920 33.1183 173.8667 54 V 4.9312 8.4436 124.3679 59.8280 34.3921 174.3346 55 L 5.3055 9.0486 123.7936 53.0110 45.0958 175.3511 56 E 5.1972 10.6790 122.8545 54.0175 33.6214 176.5584 57 G 4.1424 8.0233 109.3329 44.3289 0.0000 171.3200 58 E 4.4212 8.1172 119.5860 56.1643 31.2325 176.6850 59 C 3.5371 8.7985 126.6667 62.8646 31.4776 175.8221 60 E 3.8620 8.1145 119.8942 59.4357 29.1321 178.7721 61 Q 3.9440 7.9209 117.4199 58.8354 28.9078 178.2776 62 V 3.6129 8.1482 119.6605 66.3246 31.5709 177.7366 63 N 4.4137 8.2400 115.9793 56.2895 38.5186 176.9970 64 E 3.9488 8.3259 120.7007 59.6489 29.7082 179.0521 65 T 3.8676 8.3683 116.1105 66.6937 68.5365 176.0156 66 Y 3.9614 8.3328 121.7598 61.2184 38.6467 178.0523 67 H 3.8712 7.9722 115.2577 58.2233 29.0137 177.5953 68 R 3.9683 7.7874 120.6614 59.3882 29.8567 178.5054 69 I 3.6078 7.6563 119.7978 64.3018 36.8306 178.5459 70 V 3.3293 7.1525 117.9650 65.4801 31.2956 177.3058 71 Q 4.2325 7.5149 115.6927 55.6956 29.0166 175.5432 72 D 4.3429 8.0137 124.8395 54.6950 41.4865 177.1229 73 E 4.2958 8.7553 121.9280 57.4914 30.1460 174.0663 74 R 4.4173 8.6526 117.3253 58.0200 30.5146 175.3245 75 H 5.3127 7.9449 113.0024 55.1810 31.7576 171.3688 76 H 4.6164 9.3096 114.7672 55.1832 31.7751 172.9398 77 S 3.7756 8.6948 112.8970 59.0754 59.7068 171.4300 78 P 4.6584 0.0000 0.0000 62.9345 32.4021 176.5137 79 Q 4.5825 9.3972 119.7786 53.9886 31.9263 174.7886 80 I 3.9987 8.5590 125.9659 61.8596 37.1133 176.1909 81 I 4.2053 8.9692 128.7481 63.2688 38.2340 176.0414 82 E 4.7746 7.8140 120.6977 55.0645 33.2539 173.4676 83 C 5.3600 8.3635 125.4792 58.3586 34.6055 172.6178 84 M 4.4018 8.5957 121.3227 53.6457 34.4108 172.4727 85 P 4.1542 0.0000 0.0000 62.3354 32.1818 175.7445 86 I 4.5274 7.9391 115.8355 58.9678 39.8650 176.0241 87 R 3.9936 8.8156 122.9346 59.2023 30.1805 176.9059 88 R 4.3706 7.0667 110.3659 55.5259 31.3114 174.0601 89 R 4.3958 8.4535 117.7169 56.2223 30.7463 176.5148 90 N 4.6028 9.5640 116.7987 53.1157 40.3810 175.6533 91 F 4.6343 8.2726 117.5085 56.7782 39.5203 177.1517 92 E 4.1027 8.1616 120.4867 58.8167 29.2862 178.2058 93 V 3.7966 7.3610 111.7957 62.1889 32.3563 175.8510 94 W 5.0688 7.7925 120.8858 54.4894 30.7201 176.5779 95 S 4.4049 8.9415 118.6227 61.2603 63.4331 173.7669 96 M 4.7830 7.7053 115.7217 54.7497 34.9262 173.5084 97 Q 4.5188 8.2889 121.5325 54.3701 33.4649 173.3469 98 A 5.1868 8.2648 123.8399 50.3225 21.8829 175.3193 99 I 4.6127 8.9676 124.1762 59.6966 40.2917 174.7772 100 T 5.0535 8.5327 116.3359 60.2264 70.7499 173.9338 101 V 4.4753 8.9320 126.3866 61.4298 33.9768 173.7754 102 N 5.0029 8.3059 125.4785 52.3782 39.4514 174.3414 103 D 4.3410 8.8023 116.2914 58.0043 40.9535 177.2545 104 L 4.3446 7.7508 115.5678 55.1037 42.0959 177.2379 105 S 4.3507 7.4585 115.3572 58.1391 63.5200 174.7714 106 T 3.9574 8.4835 119.1576 64.2774 70.0193 174.9926 107 E 3.9697 8.9202 123.6286 59.8674 29.5203 179.6340 108 Q 3.9535 8.0608 118.7991 59.2121 29.1087 178.4911 109 V 3.6469 7.7447 118.6901 65.8714 31.7292 177.7823 110 K 3.9554 8.4249 118.6741 60.1152 31.9793 179.4568 111 T 3.9192 8.1917 115.8738 66.2785 68.0447 176.6077 112 L 3.9650 7.7730 121.6941 58.1734 42.0151 178.6559 113 V 3.7869 8.1942 118.4079 66.2519 31.0462 177.7974 114 L 4.1019 8.1536 119.7225 57.8092 41.6141 178.7197 115 K 3.8553 7.7365 119.1783 58.6339 32.0195 176.8676 116 Y 4.8123 7.1520 113.2168 57.2686 38.3617 174.6934 117 S 4.5636 7.5167 113.0612 57.3717 65.9547 174.7322 118 G 3.4444 8.5141 108.6364 47.5910 0.0000 172.9192 119 F 4.8223 7.3511 116.3895 56.3286 43.0338 174.0866 120 T 4.2921 8.7209 114.2955 62.7876 67.5607 174.0310 121 T 4.4460 7.5815 111.0499 59.9409 70.4523 173.9398 122 L 3.8048 8.3745 127.6865 55.0330 42.4619 176.4645 123 R 4.4313 8.1620 125.0793 53.4472 30.9591 174.2289 124 P 4.2571 0.0000 0.0000 65.0150 31.5672 178.5222 125 S 4.4052 8.0326 110.1258 59.0347 63.3984 174.1771 126 A 4.7771 7.9787 123.8185 52.1400 19.1593 175.9712 127 M 4.9681 7.5552 117.0161 54.5164 35.5113 176.0966 128 D 4.7539 8.6698 122.6235 51.7835 42.4560 175.8546 129 P 4.2147 0.0000 0.0000 65.9283 31.2191 178.5676 130 E 3.9470 8.1918 117.4408 59.1836 29.4922 178.8190 131 Q 3.8764 8.8799 118.7030 58.9164 28.7878 177.9953 132 C 4.0902 8.1704 117.8491 62.8525 28.1751 175.7957 133 L 3.9985 7.9496 121.4826 58.6176 41.6096 178.9397 134 N 4.1845 7.9640 116.1358 55.8424 38.2470 177.0707 135 F 4.1629 7.8748 122.4231 61.5668 39.4818 177.3461 136 L 3.8685 8.2085 118.4537 57.4499 41.3452 179.5892 137 L 3.9100 8.3779 119.4502 57.9662 41.7477 179.1729 138 D 4.3178 8.2027 118.9043 57.5432 40.8098 178.8901 139 I 3.6862 7.9199 118.9932 63.5781 37.6241 177.7857 140 A 4.4948 7.8925 121.4366 55.2141 18.3125 179.4306 141 K 3.8404 7.8529 116.4943 59.2060 32.1123 179.3505 142 I 3.7853 7.3899 112.5574 63.0184 37.8200 176.1157 143 Y 5.6770 6.7191 127.8979 59.0718 37.4109 171.9910 144 E 4.3967 7.4945 120.0752 56.1737 30.8592 176.8207 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 4 M 8.30 4.53 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 5 S 7.67 4.42 0.00 4.10 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 6 L 9.34 4.63 0.00 1.86 1.56 1.03 0.83 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 7 Y 9.52 5.16 0.00 3.01 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 8 R 8.88 5.16 0.00 1.88 1.72 0.00 3.16 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 9 L 9.31 5.22 0.00 1.70 1.48 0.40 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.91 5.11 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.89 0.00 0.00 11 Y 8.65 5.41 0.00 3.18 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 12 S 9.26 5.38 0.00 3.99 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 13 S 9.01 5.02 0.00 4.04 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 14 Q 9.03 4.76 0.00 1.74 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 15 G 8.86 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 0.00 0.00 0.00 0.00 16 I 8.64 4.16 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.93 1.03 0.00 0.00 17 P 0.00 4.37 0.00 2.22 2.26 0.00 3.81 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 2.02 2.02 0.00 18 N 7.57 4.75 0.00 2.86 2.89 0.00 0.00 7.02 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 19 L 7.87 4.33 0.00 1.81 1.59 0.67 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.24 4.70 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 21 P 0.00 4.30 0.00 2.14 2.11 0.00 3.59 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 2.12 2.20 0.00 22 Q 7.98 4.01 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 23 D 7.72 4.35 0.00 2.80 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 24 L 7.88 4.01 0.00 1.75 1.66 0.71 1.14 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 25 K 7.92 4.05 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 26 D 8.09 4.58 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.81 1.94 0.00 0.00 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 1.25 0.61 0.76 0.00 0.00 28 L 8.17 3.95 0.00 1.82 1.63 0.86 1.17 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 29 E 8.17 3.96 0.00 2.02 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 0.00 2.25 2.24 0.00 30 S 8.12 4.31 0.00 3.83 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 31 S 8.10 4.12 0.00 4.06 4.16 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 32 Q 8.25 4.07 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 33 R 7.55 4.14 0.00 1.87 2.09 0.00 3.24 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 34 N 8.25 4.58 0.00 2.78 2.83 0.00 0.00 6.96 6.53 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 35 N 8.22 4.28 0.00 2.97 3.15 0.00 0.00 7.05 8.79 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 36 P 0.00 4.21 0.00 2.17 2.15 0.00 3.55 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 37 A 7.36 4.11 1.37 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 0.00 0.00 38 N 8.10 4.79 0.00 2.78 2.85 0.00 0.00 6.77 8.58 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 39 G 7.77 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 40 I 7.21 4.37 1.92 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 1.56 1.45 0.97 0.00 0.00 41 T 9.60 5.10 4.68 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 1.36 0.00 0.00 42 G 7.47 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 43 L 7.42 4.88 0.00 1.92 1.10 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.22 5.10 0.00 1.74 1.64 0.87 0.82 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 45 C 9.73 5.49 0.00 2.98 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 46 Y 9.41 4.97 0.00 2.98 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 47 S 8.22 4.95 0.00 3.82 3.51 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 48 K 7.30 3.28 0.00 1.43 1.52 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.45 7.81 49 P 0.00 4.52 0.00 2.16 2.21 0.00 3.33 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 50 A 7.90 4.70 1.16 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 0.00 0.00 51 F 9.05 5.42 0.00 3.15 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 52 L 9.14 5.08 0.00 1.71 1.53 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.40 5.05 0.00 1.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 54 V 8.44 4.93 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 0.00 0.00 0.87 0.00 0.00 55 L 9.05 5.31 0.00 1.65 1.65 1.11 1.02 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 56 E 10.68 5.20 0.00 1.95 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 2.34 2.38 0.00 57 G 8.02 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 0.00 0.00 0.00 0.00 58 E 8.12 4.42 0.00 2.07 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 2.41 2.47 0.00 59 C 8.80 3.54 0.00 2.57 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 60 E 8.11 3.86 0.00 2.03 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 2.38 0.00 61 Q 7.92 3.94 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.64 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 62 V 8.15 3.61 2.22 0.00 0.00 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 1.08 0.00 0.00 63 N 8.24 4.41 0.00 3.06 2.91 0.00 0.00 6.74 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 64 E 8.33 3.95 0.00 2.27 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 0.00 2.30 2.35 0.00 65 T 8.37 3.87 4.46 0.00 0.00 0.00 0.00 0.00 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 66 Y 8.33 3.96 0.00 2.85 2.85 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 67 H 7.97 3.87 0.00 3.16 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.79 3.97 0.00 1.94 2.04 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 69 I 7.66 3.61 1.73 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.87 0.00 0.00 70 V 7.15 3.33 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 0.66 0.00 0.00 0.03 0.00 0.00 71 Q 7.51 4.23 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 72 D 8.01 4.34 0.00 2.76 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 73 E 8.76 4.30 0.00 2.03 1.84 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 2.23 1.90 0.00 74 R 8.65 4.42 0.00 1.96 2.04 0.00 3.07 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 75 H 7.94 5.31 0.00 3.44 3.51 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.31 4.62 0.00 3.31 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.69 3.78 0.00 4.09 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 78 P 0.00 4.66 0.00 2.29 2.00 0.00 3.72 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 2.01 1.89 0.00 79 Q 9.40 4.58 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 80 I 8.56 4.00 1.86 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 0.88 0.46 0.82 0.00 0.00 81 I 8.97 4.21 2.04 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 1.14 0.73 0.92 0.00 0.00 82 E 7.81 4.77 0.00 2.00 1.73 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 2.27 2.30 0.00 83 C 8.36 5.36 0.00 2.95 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 84 M 8.60 4.40 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 85 P 0.00 4.15 0.00 1.75 1.76 0.00 3.36 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 86 I 7.94 4.53 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.86 0.00 0.00 87 R 8.82 3.99 0.00 1.79 2.01 0.00 3.39 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 88 R 7.07 4.37 0.00 1.82 1.82 0.00 2.98 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 89 R 8.45 4.40 0.00 1.80 2.05 0.00 3.19 0.00 0.00 3.40 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 90 N 9.56 4.60 0.00 1.86 2.14 0.00 0.00 6.78 7.48 0.00 0.00 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 F 8.27 4.63 0.00 3.31 3.02 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 92 E 8.16 4.10 0.00 2.04 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 0.00 2.17 2.22 0.00 93 V 7.36 3.80 1.96 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 0.60 0.00 0.00 0.13 0.00 0.00 94 W 7.79 5.07 0.00 3.71 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 95 S 8.94 4.40 0.00 3.96 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 0.00 96 M 7.71 4.78 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 97 Q 8.29 4.52 0.00 1.47 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 98 A 8.26 5.19 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 99 I 8.97 4.61 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 1.02 0.00 0.00 100 T 8.53 5.05 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 1.35 0.00 0.00 101 V 8.93 4.48 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 1.07 0.00 0.00 1.15 0.00 0.00 102 N 8.31 5.00 0.00 2.88 2.82 0.00 0.00 6.56 7.95 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 0.00 103 D 8.80 4.34 0.00 2.67 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 0.00 104 L 7.75 4.34 0.00 1.64 1.71 0.93 0.87 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 0.00 105 S 7.46 4.35 0.00 4.09 3.84 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 0.00 106 T 8.48 3.96 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 1.29 0.00 0.00 107 E 8.92 3.97 0.00 1.99 2.03 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 2.42 2.34 0.00 108 Q 8.06 3.95 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 109 V 7.74 3.65 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 1.21 0.00 0.00 0.98 0.00 0.00 110 K 8.42 3.96 0.00 2.00 1.89 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.63 7.81 111 T 8.19 3.92 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 1.20 0.00 0.00 112 L 7.77 3.97 0.00 1.94 2.11 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.19 3.79 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 0.90 0.00 0.00 1.12 0.00 0.00 114 L 8.15 4.10 0.00 1.99 1.82 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.74 3.86 0.00 1.75 1.62 0.00 1.61 0.00 0.00 1.36 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.34 1.11 7.81 116 Y 7.15 4.81 0.00 3.09 2.92 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 0.00 117 S 7.52 4.56 0.00 3.97 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 0.00 118 G 8.51 3.44 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 0.00 119 F 7.35 4.82 0.00 3.09 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 0.00 120 T 8.72 4.29 4.32 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 1.25 0.00 0.00 121 T 7.58 4.45 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 1.16 0.00 0.00 122 L 8.37 3.80 0.00 1.42 1.50 -0.01 0.82 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 0.00 123 R 8.16 4.43 0.00 1.86 1.79 0.00 3.13 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 124 P 0.00 4.26 0.00 2.16 2.08 0.00 3.54 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 125 S 8.03 4.41 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 0.00 126 A 7.98 4.78 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 0.00 127 M 7.56 4.97 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.42 0.00 128 D 8.67 4.75 0.00 2.93 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 0.00 129 P 0.00 4.21 0.00 2.18 2.23 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 130 E 8.19 3.95 0.00 2.03 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 2.37 2.39 0.00 131 Q 8.88 3.88 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 132 C 8.17 4.09 0.00 3.10 3.02 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 0.00 133 L 7.95 4.00 0.00 1.85 1.66 1.09 0.59 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 0.00 134 N 7.96 4.18 0.00 2.12 2.17 0.00 0.00 6.73 7.78 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 0.00 135 F 7.87 4.16 0.00 3.08 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 0.00 136 L 8.21 3.87 0.00 2.04 1.78 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.38 3.91 0.00 1.78 1.61 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.20 4.32 0.00 2.74 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 0.00 139 I 7.92 3.69 1.22 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.30 0.57 0.00 0.00 140 A 7.89 4.49 1.68 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 0.00 0.00 141 K 7.85 3.84 0.00 1.90 1.75 0.00 1.44 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.32 7.81 142 I 7.39 3.79 1.87 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 1.67 0.55 0.93 0.00 0.00 143 Y 6.72 5.68 0.00 3.17 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 0.00 144 E 7.49 4.40 0.00 1.92 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 2.12 1.86 0.00