NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3499 8.3149 120.1411 55.7546 33.5804 174.9454 7 L 4.2186 8.2283 119.4385 53.8321 42.0255 175.2202 8 H 4.9907 9.1119 116.6161 54.0250 32.4027 172.7392 9 K 4.6558 8.4216 120.8067 56.0259 33.3919 176.0072 10 E 4.9933 9.0804 122.4747 53.7430 33.5522 173.8223 11 P 4.9873 0.0000 0.0000 63.3018 32.4504 174.8237 12 A 4.9245 8.3769 121.5792 51.4470 23.2082 175.5325 13 T 4.6270 8.6373 114.9550 61.3777 72.1296 174.0177 14 L 4.2435 8.7667 128.5064 55.8643 42.3936 175.4593 15 I 4.4105 8.2484 125.4657 62.1681 39.4552 176.0529 16 K 4.4294 7.6147 119.4020 55.4881 35.5487 173.7014 17 A 4.6134 8.7304 130.6995 51.7464 19.6092 176.7121 18 I 4.0871 8.4664 124.0823 62.9898 38.1623 175.0333 19 D 4.6909 8.2821 117.6808 52.5525 44.4788 175.6839 20 G 3.6871 8.7879 109.2516 47.8637 0.0000 174.0123 21 D 4.8895 8.0627 116.5717 52.9362 40.1771 175.0987 22 T 5.1779 7.7652 116.9734 62.3128 72.7159 173.3424 23 V 4.7486 8.7056 118.3881 59.4899 36.5581 174.1978 24 K 4.9980 9.3263 126.3323 55.4277 33.7273 175.3825 25 L 5.2758 9.5062 126.4562 53.3003 46.9701 175.2910 26 M 4.9118 9.3621 121.3528 54.7065 33.6160 174.0199 27 Y 4.9809 9.0764 128.9302 55.7848 41.3226 175.8895 28 K 3.8733 9.1654 127.7327 57.6652 29.5287 175.5254 29 G 3.9990 8.4134 100.6427 45.9569 0.0000 172.8521 30 Q 4.7275 7.8617 117.0865 53.3856 32.0512 172.3845 31 P 4.9623 0.0000 0.0000 63.5190 32.2604 175.4718 32 M 4.9138 9.5611 121.4682 54.3366 37.1935 173.7389 33 T 4.9312 8.3997 118.3216 62.3907 70.8368 173.5389 34 F 5.0414 9.4779 125.3980 55.5936 42.0960 174.3380 35 R 4.9332 8.9646 123.9601 54.2910 32.0143 175.0812 36 L 4.3410 8.6444 127.7093 54.5827 41.8232 177.3738 37 L 3.9635 8.7436 124.5116 55.1343 43.3291 177.0715 38 L 4.1820 8.6866 118.7993 55.5482 39.5903 174.0952 39 V 4.8855 7.2516 115.1323 61.4406 35.2701 174.7503 40 D 4.7754 9.2343 125.6403 52.9362 43.7866 174.6188 41 T 4.7115 8.2664 113.5913 59.1112 71.0691 173.1773 42 P 4.2518 0.0000 0.0000 62.8932 31.7409 175.8080 43 E 4.6018 8.9349 122.3378 55.5046 31.0085 176.9416 44 T 4.2780 7.9821 110.6068 62.3184 70.8888 175.7271 45 K 4.4447 7.4987 120.1950 54.8650 31.2082 175.1129 46 H 5.0144 7.5450 117.7195 53.3625 31.4626 172.4953 47 P 4.3037 0.0000 0.0000 64.9043 31.4569 176.1075 48 K 4.3516 7.4426 116.1789 55.7666 34.4751 173.3449 49 K 4.1053 8.7453 127.0722 56.3403 33.0940 176.9153 50 G 3.7586 8.2525 114.5570 44.7444 0.0000 171.6375 51 V 3.7273 8.3782 120.9048 63.4375 31.7036 176.9581 52 E 4.2531 9.0347 127.9346 55.5324 30.9084 176.6146 53 K 3.9871 8.3575 123.1549 58.1878 32.7196 176.7356 54 Y 4.2695 8.0999 122.4333 59.1801 36.1272 171.2979 55 G 3.7852 8.2293 107.8995 47.4383 0.0000 174.1185 56 P 4.3017 0.0000 0.0000 65.0643 31.3541 178.5873 57 E 4.0090 8.1911 116.5931 59.4939 29.5573 179.0884 58 A 4.0490 8.1414 120.7303 55.2348 18.3319 179.9026 59 S 4.1562 8.2236 113.5052 61.7220 62.8840 176.7956 60 A 3.9917 8.2103 123.5196 54.9339 18.1028 179.3479 61 F 3.8536 8.6144 119.4920 61.7750 39.5194 177.3978 62 T 3.9464 8.2323 115.1697 66.5204 68.2783 176.2413 63 K 3.8143 8.1807 121.5209 59.5217 32.2137 178.3479 64 K 3.7703 8.2790 119.9679 59.7913 31.8540 178.2018 65 M 3.8381 7.6018 116.7341 58.8646 31.9252 178.2822 66 V 3.8111 7.9177 112.3602 64.1065 31.5593 178.5141 67 E 4.0107 8.1975 117.8148 59.1318 29.4175 177.5797 68 N 4.5441 7.9273 113.4528 53.6156 39.0687 175.3312 69 A 4.4892 7.3096 121.1658 51.8481 19.1928 177.8142 70 K 4.2380 8.7559 120.0823 57.9314 32.9104 177.9285 71 K 4.6406 8.5066 118.1096 54.6054 36.0982 175.5932 72 I 4.9457 8.4292 125.3534 59.6745 39.9307 174.5141 73 E 5.1596 9.2276 124.7774 54.7416 33.9810 174.9528 74 V 4.6974 8.8563 115.9097 59.5797 35.3249 174.8537 75 E 4.7575 8.8352 123.9175 54.5587 32.2227 174.7677 76 F 4.5628 8.9113 125.7627 57.6048 40.1310 175.6834 77 D 5.0187 8.3981 120.7608 53.3128 43.3003 175.7043 78 K 4.3171 8.6418 116.9522 58.3896 33.0949 178.5708 79 G 4.5825 7.9427 112.2197 44.5619 0.0000 173.3159 80 Q 4.1242 8.6056 121.5572 56.5510 29.3905 176.2657 81 R 4.8505 8.5585 119.2206 56.5594 31.5635 175.7449 82 T 5.2137 7.7186 108.6399 60.1776 72.2933 173.5145 83 D 5.0263 8.7650 124.1048 51.8924 42.1273 176.8945 84 K 4.0522 8.7524 116.5274 59.1287 32.4963 176.8762 85 Y 4.3490 8.1623 116.0934 57.7773 38.3244 176.3035 86 G 3.9431 8.3664 108.6750 45.0727 0.0000 173.6547 87 R 4.3243 8.2763 119.9855 55.1004 31.5916 176.4903 88 G 3.5906 8.4637 111.7356 46.1767 0.0000 172.4050 89 L 5.3061 8.7204 123.9838 53.1452 43.1357 175.6120 90 A 4.3673 8.3398 124.8239 51.1447 23.7290 173.7716 91 Y 4.8473 8.7270 117.1847 56.9025 39.9132 175.3740 92 I 4.8210 8.6995 124.9986 59.7409 40.0227 174.1644 93 Y 5.1119 9.2001 123.9082 56.0568 41.2060 174.4615 94 A 4.8669 9.1835 126.1881 50.1386 21.3222 176.2652 95 D 4.3719 9.8616 125.0473 55.9842 39.0324 175.5656 96 G 4.0018 8.4788 106.0178 45.2441 0.0000 173.6387 97 K 4.4582 8.0816 120.7128 54.8235 33.4543 175.4778 98 M 3.9565 8.5139 123.8055 55.1512 33.0424 176.9059 99 V 3.6542 8.8103 127.3900 65.9958 31.3177 177.6573 100 N 4.2736 7.9835 115.8719 56.3526 38.4960 176.7901 101 E 3.8737 8.0434 119.8095 59.1134 29.8680 178.2799 102 A 4.0463 7.9438 120.8308 55.2762 18.4517 179.5424 103 L 3.3358 7.7909 117.2372 57.6893 41.6347 180.0023 104 V 3.6506 7.3371 117.4857 66.1617 31.3420 177.9493 105 R 3.9296 8.1451 117.2840 59.3868 29.9314 177.5156 106 Q 4.2868 7.8639 114.9241 55.2146 29.1631 176.0784 107 G 3.8856 8.3468 109.1790 46.8429 0.0000 174.6446 108 L 4.3009 7.6458 116.7439 53.3802 42.3772 176.1500 109 A 4.4558 7.2367 117.5638 51.3623 21.7439 176.4753 110 K 4.9519 8.3857 119.1894 54.3696 35.6613 176.2062 111 V 4.3733 8.6222 123.0186 61.2743 31.8832 176.1362 112 A 4.3316 8.1883 127.6905 50.9730 19.5358 176.4214 113 Y 4.2266 8.3914 116.4342 57.7869 38.5395 176.7845 114 V 3.7363 8.4614 122.4341 63.1398 32.2839 175.1796 115 Y 4.4701 8.5919 127.5700 56.2385 39.5742 174.6669 116 K 3.6623 9.1195 128.1057 57.4157 29.2302 176.1253 117 A 3.7823 7.8192 116.6700 52.6148 17.1657 179.1102 118 N 4.8950 7.6654 115.7899 52.1106 37.1693 174.5500 119 N 5.1864 7.8998 113.6102 52.5376 39.2226 177.1773 120 T 3.8655 8.3400 117.6093 67.4866 68.7480 174.7676 121 H 4.8764 8.2238 116.0644 55.7002 29.1757 176.4537 122 E 3.9997 8.4228 123.2517 59.5530 29.3806 178.8611 123 Q 3.9874 8.1050 117.4797 59.2552 28.9655 178.1047 124 H 4.1321 8.2647 118.5139 59.5439 29.9003 177.0523 125 L 3.9642 8.0218 120.5167 57.7161 41.4039 179.7513 126 R 3.8979 8.2683 118.4654 59.1772 30.0116 179.2129 127 K 3.9269 8.0360 118.1460 59.6697 32.0926 179.6266 128 S 4.0838 7.8307 114.9115 61.5086 62.7851 176.4252 129 E 3.9713 8.3828 121.9337 58.9788 29.3610 178.7017 130 A 3.7135 7.9480 120.9388 55.0303 18.4615 179.3687 131 Q 3.7675 7.9724 117.8182 59.3191 29.1819 178.2588 132 A 4.0458 7.9925 121.9867 55.0518 18.3249 179.6914 133 K 3.5986 7.4708 116.9755 59.5899 32.4144 179.6410 134 K 3.8784 7.5673 119.0043 59.0880 32.0490 178.2024 135 E 4.2348 8.0111 115.6384 55.3159 30.1890 176.4558 136 K 4.5450 7.7983 117.3554 56.1047 30.5955 175.3138 137 L 4.3022 8.2029 117.9290 55.6280 44.6000 179.0047 138 N 3.4839 9.3643 117.7962 54.1780 38.6275 176.2139 139 I 3.1784 4.0000 125.7351 64.6136 38.2124 176.5805 140 W 4.9302 8.0092 119.6174 57.1057 29.1543 176.7201 141 S 4.3974 7.8345 120.5110 58.9607 62.2775 174.2589 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 6 K 8.31 4.35 0.00 1.80 1.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.49 7.81 7 L 8.23 4.22 0.00 1.81 1.74 1.07 0.88 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 8 H 9.11 4.99 0.00 3.22 3.24 0.00 5.71 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 9 K 8.42 4.66 0.00 1.57 1.67 0.00 1.36 0.00 0.00 0.79 0.00 0.00 2.44 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.11 1.28 7.81 10 E 9.08 4.99 0.00 2.14 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 2.38 2.32 0.00 11 P 0.00 4.99 0.00 2.10 2.07 0.00 3.84 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 2.02 2.00 0.00 12 A 8.38 4.92 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 13 T 8.64 4.63 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 1.23 0.00 0.00 14 L 8.77 4.24 0.00 1.63 1.57 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.25 4.41 2.07 0.00 0.00 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 1.15 1.04 0.94 0.00 0.00 16 K 7.61 4.43 0.00 1.80 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.41 7.81 17 A 8.73 4.61 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 18 I 8.47 4.09 2.02 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 1.32 0.91 0.90 0.00 0.00 19 D 8.28 4.69 0.00 2.58 2.46 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 0.00 20 G 8.79 3.69 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 0.00 21 D 8.06 4.89 0.00 2.86 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 22 T 7.77 5.18 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 1.26 0.00 0.00 23 V 8.71 4.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.94 0.00 0.00 24 K 9.33 5.00 0.00 1.87 1.84 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.53 7.81 25 L 9.51 5.28 0.00 1.68 1.64 0.38 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.36 4.91 0.00 2.15 2.02 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 2.58 2.55 0.00 27 Y 9.08 4.98 0.00 3.36 3.12 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 28 K 9.17 3.87 0.00 1.51 1.63 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.04 0.35 7.81 29 G 8.41 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.86 4.73 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.63 2.42 0.00 31 P 0.00 4.96 0.00 2.15 2.15 0.00 3.79 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 2.03 2.04 0.00 32 M 9.56 4.91 0.00 1.58 2.18 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 33 T 8.40 4.93 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 34 F 9.48 5.04 0.00 3.02 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 35 R 8.96 4.93 0.00 1.83 1.73 0.00 3.10 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 36 L 8.64 4.34 0.00 1.53 1.59 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.74 3.96 0.00 1.23 1.37 0.23 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.69 4.18 0.00 1.96 1.78 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.25 4.89 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 0.74 0.00 0.00 0.97 0.00 0.00 40 D 9.23 4.78 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.27 4.71 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 42 P 0.00 4.25 0.00 2.19 2.14 0.00 3.52 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 2.10 2.03 0.00 43 E 8.93 4.60 0.00 2.12 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 2.21 2.24 0.00 44 T 7.98 4.28 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 1.22 0.00 0.00 45 K 7.50 4.44 0.00 1.91 1.77 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.33 7.81 46 H 7.54 5.01 0.00 3.04 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.30 0.00 2.00 2.06 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 48 K 7.44 4.35 0.00 1.78 1.72 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.24 7.81 49 K 8.75 4.11 0.00 1.93 1.99 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.44 7.81 50 G 8.25 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 0.00 0.00 0.00 51 V 8.38 3.73 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 0.78 0.00 0.00 0.96 0.00 0.00 52 E 9.03 4.25 0.00 1.93 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 0.00 2.32 2.41 0.00 53 K 8.36 3.99 0.00 1.63 1.67 0.00 1.30 0.00 0.00 1.46 0.00 0.00 2.67 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.18 0.80 7.81 54 Y 8.10 4.27 0.00 3.19 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 55 G 8.23 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 56 P 0.00 4.30 0.00 2.16 2.12 0.00 3.58 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 2.08 2.17 0.00 57 E 8.19 4.01 0.00 2.38 2.09 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 2.60 2.53 0.00 58 A 8.14 4.05 1.30 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 0.00 0.00 59 S 8.22 4.16 0.00 4.04 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 60 A 8.21 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.61 3.85 0.00 3.22 3.20 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 62 T 8.23 3.95 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 1.24 0.00 0.00 63 K 8.18 3.81 0.00 1.95 1.99 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.46 7.81 64 K 8.28 3.77 0.00 1.85 1.85 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.41 7.81 65 M 7.60 3.84 0.00 2.05 1.86 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 2.49 2.53 0.00 66 V 7.92 3.81 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 0.85 0.00 0.00 1.02 0.00 0.00 67 E 8.20 4.01 0.00 1.97 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 2.33 2.48 0.00 68 N 7.93 4.54 0.00 2.69 2.82 0.00 0.00 7.01 7.36 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 69 A 7.31 4.49 1.30 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 0.00 0.00 70 K 8.76 4.24 0.00 1.92 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.40 7.81 71 K 8.51 4.64 0.00 1.67 1.66 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.43 4.95 2.02 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 1.34 1.51 0.85 0.00 0.00 73 E 9.23 5.16 0.00 1.90 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 2.21 2.27 0.00 74 V 8.86 4.70 1.36 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 -0.06 0.00 0.00 0.71 0.00 0.00 75 E 8.84 4.76 0.00 2.22 2.31 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 2.51 2.56 0.00 76 F 8.91 4.56 0.00 3.03 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 77 D 8.40 5.02 0.00 2.61 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.64 4.32 0.00 1.82 1.89 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.45 7.81 79 G 7.94 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.61 4.12 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 81 R 8.56 4.85 0.00 1.61 1.73 0.00 2.85 0.00 0.00 2.73 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 82 T 7.72 5.21 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 1.19 0.00 0.00 83 D 8.77 5.03 0.00 2.62 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 84 K 8.75 4.05 0.00 1.65 1.89 0.00 1.33 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.19 0.54 7.81 85 Y 8.16 4.35 0.00 3.09 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 86 G 8.37 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 87 R 8.28 4.32 0.00 1.90 1.79 0.00 3.08 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 88 G 8.46 3.59 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 0.00 0.00 0.00 89 L 8.72 5.31 0.00 1.60 1.62 1.10 0.64 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 90 A 8.34 4.37 0.75 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 91 Y 8.73 4.85 0.00 3.00 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 92 I 8.70 4.82 1.77 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.90 0.86 0.00 0.00 93 Y 9.20 5.11 0.00 2.86 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 94 A 9.18 4.87 1.20 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 0.00 0.00 95 D 9.86 4.37 0.00 2.79 2.73 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 96 G 8.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.46 0.00 1.99 1.77 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.39 7.81 98 M 8.51 3.96 0.00 1.86 1.47 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.47 0.00 99 V 8.81 3.65 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 1.03 0.00 0.00 0.94 0.00 0.00 100 N 7.98 4.27 0.00 2.87 2.91 0.00 0.00 6.79 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.04 3.87 0.00 1.94 2.04 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 2.25 2.25 0.00 102 A 7.94 4.05 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.79 3.34 0.00 1.81 1.56 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.34 3.65 2.20 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 1.14 0.00 0.00 0.94 0.00 0.00 105 R 8.15 3.93 0.00 1.97 2.07 0.00 3.33 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 106 Q 7.86 4.29 0.00 1.65 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.33 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 107 G 8.35 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.65 4.30 0.00 1.21 1.44 0.56 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.24 4.46 1.08 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 0.00 110 K 8.39 4.95 0.00 1.68 1.74 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.68 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.33 1.11 7.81 111 V 8.62 4.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.98 0.00 0.00 112 A 8.19 4.33 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 0.00 113 Y 8.39 4.23 0.00 3.07 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 0.00 114 V 8.46 3.74 2.18 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 0.85 0.00 0.00 1.02 0.00 0.00 115 Y 8.59 4.47 0.00 3.07 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 0.00 116 K 9.12 3.66 0.00 1.49 1.58 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.25 7.81 117 A 7.82 3.78 1.38 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 0.00 0.00 118 N 7.67 4.90 0.00 2.90 2.84 0.00 0.00 6.66 8.73 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 0.00 119 N 7.90 5.19 0.00 2.95 3.02 0.00 0.00 6.09 7.22 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 0.00 120 T 8.34 3.87 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 1.08 0.00 0.00 121 H 8.22 4.88 0.00 2.90 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.42 4.00 0.00 2.13 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 2.34 2.40 0.00 123 Q 8.10 3.99 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 124 H 8.26 4.13 0.00 3.21 3.48 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.02 3.96 0.00 2.06 1.71 1.03 0.82 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 0.00 126 R 8.27 3.90 0.00 1.99 1.95 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 127 K 8.04 3.93 0.00 1.93 1.82 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.65 7.81 128 S 7.83 4.08 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.38 3.97 0.00 2.15 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 0.00 2.20 2.60 0.00 130 A 7.95 3.71 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 0.00 131 Q 7.97 3.77 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 132 A 7.99 4.05 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.47 3.60 0.00 1.27 0.74 0.00 0.95 0.00 0.00 1.05 0.00 0.00 2.45 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.07 1.07 7.81 134 K 7.57 3.88 0.00 1.88 1.86 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.53 7.81 135 E 8.01 4.23 0.00 2.08 1.98 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 2.31 2.57 0.00 136 K 7.80 4.55 0.00 1.86 1.89 0.00 1.83 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.57 7.81 137 L 8.20 4.30 0.00 1.94 1.71 0.94 0.55 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 0.00 138 N 9.36 3.48 0.00 2.54 1.56 0.00 0.00 7.13 7.13 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 0.00 139 I 4.00 3.18 0.81 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.13 0.03 0.00 0.00 140 W 8.01 4.93 0.00 3.45 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 0.00 141 S 7.83 4.40 0.00 4.00 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