NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2951 8.2993 121.7816 56.1163 33.9996 176.3544 6 C 4.6442 7.4051 112.5981 55.2387 33.7452 173.4647 7 L 4.0901 8.7034 122.9580 57.4276 41.7496 180.6533 8 L 3.9807 7.8887 120.2411 58.3147 42.0946 178.5132 9 C 4.0632 8.0361 116.0563 63.0380 28.0862 176.2453 10 R 3.9457 7.6979 118.9422 59.2444 29.6167 178.4355 11 Y 3.8762 8.3621 119.5552 60.8144 38.5793 178.2577 12 L 4.0668 8.3188 119.9317 57.5685 41.4845 179.3873 13 K 3.9518 8.3127 118.9592 59.7395 32.2334 178.4537 14 E 4.1181 8.1808 117.5424 58.5384 29.6029 178.5413 15 R 4.4598 7.7221 116.2928 55.7585 30.4427 177.8802 16 Q 4.0305 7.5852 119.4995 59.7383 28.3801 178.7838 17 E 3.9979 8.1617 120.2261 58.7976 29.6032 179.1154 18 K 3.9922 8.0500 119.1421 59.3967 32.3285 178.2925 19 F 4.1090 8.7893 121.3516 61.5880 39.2386 177.2228 20 I 4.0191 8.0746 119.3392 64.3628 36.6675 178.3204 21 S 4.1394 8.0777 113.1695 61.5340 62.4283 175.4593 22 D 4.4288 8.2362 120.6631 56.9677 40.8624 177.9109 23 W 4.0640 8.2508 128.9649 60.4476 30.5160 177.8042 24 K 3.4010 8.2275 118.3122 59.2534 31.6130 178.3118 25 K 4.1284 7.5523 117.2152 57.6661 32.1570 177.5265 26 K 4.3686 7.7630 116.7606 55.9465 33.6141 176.5448 27 V 3.9765 7.0433 111.7638 59.8462 32.9708 176.0357 28 I 4.0773 8.5491 123.4678 60.3563 35.9904 175.9807 29 I 4.4830 7.8078 125.6795 59.7061 40.5328 175.3849 30 R 4.5828 8.3200 124.3654 54.4006 31.7350 177.5473 31 E 4.0032 8.6926 120.4925 59.3573 29.5817 178.5739 32 R 4.0661 7.8464 113.0335 57.1496 30.3084 176.0472 33 D 4.4469 8.1259 121.1518 53.5210 41.3826 175.1227 34 P 4.2723 0.0000 0.0000 65.0465 31.7109 176.3969 35 Y 4.7811 8.4420 117.6545 57.0833 38.8309 177.6794 36 K 3.9494 8.1834 122.8626 60.7158 32.4136 178.1519 37 E 4.0528 8.1788 118.9976 59.0348 29.4853 178.9463 38 E 4.1472 8.3433 118.3102 59.2383 29.5637 179.0885 39 I 3.8640 8.0445 120.0821 64.6207 37.1635 178.5100 40 I 4.1285 7.5665 119.9379 64.4773 36.9692 178.6606 41 K 4.4658 8.0386 120.4000 59.0884 31.7934 179.1072 42 N 4.5149 9.0867 117.2544 56.2682 38.4640 177.6424 43 G 3.4257 8.4465 107.0919 47.7675 0.0000 175.5572 44 E 3.9752 8.4171 121.3336 59.3228 29.4901 178.9720 45 H 4.2493 8.3856 118.1748 59.4848 29.9252 177.4051 46 L 4.0297 8.2782 120.9462 57.2999 41.3663 179.2487 47 L 3.8323 8.0541 121.0447 57.9754 42.0096 179.0711 48 S 4.0977 8.0378 113.7693 61.5076 62.7744 176.4081 49 A 4.0592 8.2075 124.5134 54.6722 18.0415 179.3199 50 F 3.0056 8.3381 119.5608 61.1117 39.3174 177.4414 51 I 3.3502 7.6015 119.3299 64.6328 36.8378 178.3706 52 M 4.0252 7.9840 119.4721 58.4142 31.7278 178.2806 53 Y 4.0826 8.0972 120.0489 60.6193 38.7766 177.7950 54 L 3.6250 7.3851 119.0153 57.4347 41.7500 178.8633 55 K 4.1110 7.5586 115.1259 55.7766 32.1679 176.6684 56 E 3.6312 7.5927 117.6664 57.5782 27.2808 175.1626 57 E 4.4144 8.4184 119.3264 56.6431 30.5050 176.2139 58 I 4.8659 7.4302 110.5651 58.9221 41.0540 174.4844 59 S 4.9348 8.5827 115.6692 56.6820 65.0488 175.3682 60 L 3.7866 8.3815 121.0230 57.8643 41.1929 179.4090 61 Q 4.1648 7.4758 120.6629 58.4974 28.6413 178.1326 62 E 4.1420 8.0304 118.3921 57.9368 29.8397 177.9585 63 I 4.1320 7.4234 112.4218 61.2368 37.8306 177.3697 64 E 3.8298 7.8831 121.8067 59.5382 29.2991 178.7736 65 I 3.6769 7.6549 118.2790 64.3880 37.9930 177.9879 66 T 3.9086 7.7877 116.1781 66.5936 68.3322 176.6554 67 S 4.0416 8.0800 117.1217 61.6382 62.8637 177.0184 68 K 4.0904 8.0480 122.4379 58.5519 31.7484 179.3577 69 K 3.8357 7.9250 119.7645 59.5195 32.1059 178.7823 70 I 3.5604 7.9399 120.1152 64.3886 37.0371 178.1300 71 A 3.9969 7.9374 121.4458 55.2836 18.1830 179.6256 72 R 3.7588 7.9516 117.0390 59.5745 30.1260 178.6479 73 E 3.5526 8.0024 118.3647 59.3349 28.9865 179.5544 74 R 4.0489 8.3854 118.5411 59.1694 30.1383 179.1193 75 I 3.6551 8.0066 119.7134 64.6262 36.9263 178.0665 76 D 4.4167 8.0221 117.0535 57.0586 41.1464 177.5992 77 A 4.2110 8.1502 119.9183 52.3221 18.5071 177.4843 78 K 3.8881 7.6993 115.2368 57.5163 30.2203 176.0611 79 V 4.2641 7.0516 110.6489 59.4066 33.4398 175.7417 80 N 4.3363 8.4681 120.4146 53.6635 38.7478 175.7903 81 I 3.5273 8.1768 125.0693 63.4512 37.8440 177.3887 82 A 4.1223 8.6305 121.8051 54.8958 17.9965 179.3209 83 E 3.9214 8.3837 117.8640 59.4152 29.4063 179.0088 84 F 4.2028 8.0069 119.9655 61.3623 39.3323 177.2282 85 I 3.2096 7.6332 118.7687 64.4684 36.9957 177.5132 86 H 4.0423 8.3573 119.2065 59.6125 29.5185 177.0404 87 N 4.3108 8.3819 118.2874 56.4281 38.3170 177.7073 88 T 4.0784 7.9563 117.5123 66.7663 68.4557 176.6133 89 N 4.2010 8.3237 118.6432 55.9978 38.5136 177.6000 90 V 3.5055 7.7966 119.6798 65.8680 31.5263 177.9516 91 A 4.0643 7.8179 119.0429 55.0448 18.1986 179.4492 92 K 3.0306 7.5125 118.0511 59.4467 32.0528 178.9669 93 I 3.6082 7.7837 120.2639 64.4083 36.9632 178.0941 94 E 3.9376 8.1357 119.9520 59.1992 29.3783 178.8019 95 I 3.7747 8.1064 120.1395 64.7800 37.1856 178.2798 96 M 4.0709 8.2428 119.5515 58.4551 31.7360 178.5765 97 N 4.3832 8.3661 116.8083 56.3663 38.7208 177.5701 98 I 3.5553 7.9809 121.3147 64.0991 36.9336 178.1508 99 L 3.9681 7.9073 120.3020 58.5562 42.3291 178.8450 100 T 4.0985 8.0918 115.5653 66.7778 68.1716 176.6912 101 L 4.0564 7.7059 119.8130 57.5508 41.7457 179.0927 102 L 4.0371 7.8553 117.3682 54.9707 42.1207 176.1219 103 N 4.1177 7.8855 116.1129 53.8497 37.4054 171.9662 104 P 4.5392 0.0000 0.0000 62.0607 32.7706 175.9699 105 D 4.6683 8.2805 119.4254 52.4010 41.7283 176.9215 106 L 3.9501 8.3737 120.6472 58.3890 41.9378 178.5076 107 Q 3.9641 8.0751 118.8139 59.4031 29.0882 178.0358 108 Q 3.9592 8.4446 120.5157 59.1407 28.9987 177.3343 109 Y 4.0341 8.3023 120.7545 60.9221 38.8768 178.1539 110 Q 3.9693 8.6669 119.0755 58.9831 28.7657 178.8100 111 A 3.9806 7.9970 121.7290 55.1426 18.3633 179.7501 112 L 3.9174 7.9636 117.5346 57.6429 41.6338 179.6124 113 V 3.4605 7.7347 118.5439 65.8414 31.2956 177.8751 114 K 3.9176 7.9351 119.1126 59.6685 32.0477 178.8997 115 K 4.1950 7.9153 118.2839 59.4421 31.9502 179.4170 116 I 4.2353 8.3650 120.5497 64.7179 37.0570 178.2073 117 N 4.5166 8.6270 117.4935 56.5181 38.3996 177.4582 118 Q 4.0643 8.5024 119.5483 58.9425 28.8117 178.6483 119 F 3.6386 8.5145 121.4763 61.4543 39.4431 177.2822 120 F 4.1398 8.5625 117.3210 60.4740 38.6170 177.5369 121 D 4.4641 8.7220 119.1440 57.6628 40.5695 178.3401 122 H 4.3908 8.2548 118.7581 59.1330 29.9888 176.9918 123 L 3.8316 7.8132 122.1983 58.1844 41.9049 179.1174 124 I 4.0875 8.1203 119.7165 64.6262 37.0613 177.5879 125 Y 4.0833 8.3860 120.5598 61.2846 38.6001 178.0638 126 Y 3.4634 8.6265 117.7616 60.9278 37.8043 178.6766 127 T 3.7397 7.8694 116.5751 66.5090 68.5397 177.0638 128 V 3.5257 7.8198 120.1659 66.0880 31.5225 177.2990 129 H 3.7698 8.0649 118.3692 59.4727 29.4333 177.1765 130 S 4.0706 8.1735 114.8322 61.2142 62.2916 175.2488 131 Y 3.9685 8.1737 122.5631 60.9523 38.5701 177.7443 132 Y 3.9299 8.1490 120.2802 60.7223 38.6987 177.6170 133 E 3.9957 8.1849 118.5409 59.5462 29.6375 179.0491 134 Q 4.0558 8.1383 117.3528 58.1740 28.8667 178.1025 135 K 3.8644 7.4683 119.8389 58.9892 32.2815 176.4264 136 A 4.6043 7.2644 124.4523 53.3998 18.9135 175.5684 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 K 8.30 4.30 0.00 1.68 1.84 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.39 7.81 6 C 7.41 4.64 0.00 3.18 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 7 L 8.70 4.09 0.00 1.74 1.80 0.94 0.55 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 L 7.89 3.98 0.00 1.76 1.66 0.95 1.10 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 9 C 8.04 4.06 0.00 3.15 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 10 R 7.70 3.95 0.00 2.02 2.00 0.00 3.29 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 11 Y 8.36 3.88 0.00 3.20 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 12 L 8.32 4.07 0.00 1.76 1.64 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.31 3.95 0.00 1.78 1.95 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 14 E 8.18 4.12 0.00 2.11 1.86 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 0.00 2.30 2.43 0.00 15 R 7.72 4.46 0.00 1.69 1.85 0.00 3.17 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 16 Q 7.59 4.03 0.00 2.38 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 17 E 8.16 4.00 0.00 2.06 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 2.44 2.39 0.00 18 K 8.05 3.99 0.00 1.90 2.05 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.63 7.81 19 F 8.79 4.11 0.00 3.13 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 20 I 8.07 4.02 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.83 1.18 0.00 0.00 21 S 8.08 4.14 0.00 4.03 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 22 D 8.24 4.43 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.25 4.06 0.00 3.11 3.37 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 24 K 8.23 3.40 0.00 1.98 2.02 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.40 7.81 25 K 7.55 4.13 0.00 1.74 1.80 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.73 1.60 7.81 26 K 7.76 4.37 0.00 1.69 1.72 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.42 7.81 27 V 7.04 3.98 1.80 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 -0.18 0.00 0.00 0.30 0.00 0.00 28 I 8.55 4.08 1.87 0.00 0.00 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 1.23 0.48 0.94 0.00 0.00 29 I 7.81 4.48 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.38 0.90 0.00 0.00 30 R 8.32 4.58 0.00 1.87 1.82 0.00 3.14 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 31 E 8.69 4.00 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 32 R 7.85 4.07 0.00 1.91 2.05 0.00 3.04 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 33 D 8.13 4.45 0.00 2.82 2.67 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 0.00 0.00 0.00 0.00 34 P 0.00 4.27 0.00 1.81 2.04 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.99 0.00 35 Y 8.44 4.78 0.00 3.13 2.96 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 0.00 0.00 0.00 0.00 36 K 8.18 3.95 0.00 2.04 2.12 0.00 1.31 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.53 7.81 37 E 8.18 4.05 0.00 2.14 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 2.43 2.49 0.00 38 E 8.34 4.15 0.00 2.40 2.12 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 2.69 2.67 0.00 39 I 8.04 3.86 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.98 1.11 0.00 0.00 40 I 7.57 4.13 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.95 1.09 0.00 0.00 41 K 8.04 4.47 0.00 2.04 1.93 0.00 1.94 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.57 7.81 42 N 9.09 4.51 0.00 3.00 2.96 0.00 0.00 6.91 7.80 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 43 G 8.45 3.43 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 0.00 44 E 8.42 3.98 0.00 2.25 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 2.40 2.54 0.00 45 H 8.39 4.25 0.00 3.28 3.43 0.00 5.78 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 46 L 8.28 4.03 0.00 1.79 1.80 0.98 0.49 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 47 L 8.05 3.83 0.00 1.63 1.70 0.42 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.04 4.10 0.00 4.14 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 49 A 8.21 4.06 1.50 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 0.00 0.00 50 F 8.34 3.01 0.00 1.96 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 51 I 7.60 3.35 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.56 0.83 0.00 0.00 52 M 7.98 4.03 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 53 Y 8.10 4.08 0.00 3.16 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.39 3.62 0.00 1.46 1.43 0.50 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.56 4.11 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 56 E 7.59 3.63 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 57 E 8.42 4.41 0.00 2.03 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 2.24 2.37 0.00 58 I 7.43 4.87 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.87 0.95 0.00 0.00 59 S 8.58 4.93 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.38 3.79 0.00 1.56 1.68 0.80 -0.19 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 61 Q 7.48 4.16 0.00 1.85 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 62 E 8.03 4.14 0.00 2.15 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 0.00 2.34 2.31 0.00 63 I 7.42 4.13 1.66 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 0.83 0.00 0.00 64 E 7.88 3.83 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 1.54 1.87 0.00 65 I 7.65 3.68 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 1.63 1.22 0.91 0.00 0.00 66 T 7.79 3.91 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 1.21 0.00 0.00 67 S 8.08 4.04 0.00 4.04 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 68 K 8.05 4.09 0.00 1.95 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.52 7.81 69 K 7.93 3.84 0.00 1.82 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.41 7.81 70 I 7.94 3.56 1.82 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 1.47 0.60 0.61 0.00 0.00 71 A 7.94 4.00 1.42 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 72 R 7.95 3.76 0.00 2.02 1.98 0.00 3.26 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 73 E 8.00 3.55 0.00 2.00 1.59 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 1.47 1.85 0.00 74 R 8.39 4.05 0.00 2.10 2.08 0.00 3.41 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 75 I 8.01 3.66 1.95 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.63 0.79 0.00 0.00 76 D 8.02 4.42 0.00 2.81 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 77 A 8.15 4.21 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.70 3.89 0.00 1.99 1.95 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.61 7.81 79 V 7.05 4.26 2.25 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 0.73 0.00 0.00 0.99 0.00 0.00 80 N 8.47 4.34 0.00 2.72 2.70 0.00 0.00 6.53 7.89 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 81 I 8.18 3.53 0.56 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.89 0.59 0.00 0.00 82 A 8.63 4.12 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 83 E 8.38 3.92 0.00 2.16 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 2.33 2.40 0.00 84 F 8.01 4.20 0.00 3.22 3.27 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 85 I 7.63 3.21 2.01 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 1.58 0.83 0.87 0.00 0.00 86 H 8.36 4.04 0.00 3.21 3.48 0.00 5.78 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 87 N 8.38 4.31 0.00 2.95 2.97 0.00 0.00 7.09 7.91 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 88 T 7.96 4.08 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 1.39 0.00 0.00 89 N 8.32 4.20 0.00 2.82 2.78 0.00 0.00 6.69 8.33 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 90 V 7.80 3.51 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 1.03 0.00 0.00 0.75 0.00 0.00 91 A 7.82 4.06 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 92 K 7.51 3.03 0.00 0.79 1.47 0.00 1.37 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.12 0.77 7.81 93 I 7.78 3.61 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.89 0.00 0.00 94 E 8.14 3.94 0.00 2.05 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 0.00 2.08 2.51 0.00 95 I 8.11 3.77 1.88 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.91 0.00 0.00 96 M 8.24 4.07 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 97 N 8.37 4.38 0.00 2.91 2.87 0.00 0.00 7.02 7.55 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 98 I 7.98 3.56 1.95 0.00 0.00 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 1.23 1.01 0.30 0.00 0.00 99 L 7.91 3.97 0.00 1.71 1.96 0.96 0.90 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 0.00 100 T 8.09 4.10 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 101 L 7.71 4.06 0.00 1.71 1.69 0.91 1.06 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 0.00 102 L 7.86 4.04 0.00 1.77 1.73 0.86 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 0.00 103 N 7.89 4.12 0.00 2.86 2.88 0.00 0.00 7.18 7.21 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 0.00 104 P 0.00 4.54 0.00 2.32 2.11 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 105 D 8.28 4.67 0.00 2.98 2.86 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 0.00 0.00 0.00 0.00 106 L 8.37 3.95 0.00 1.78 1.73 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.08 3.96 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 108 Q 8.44 3.96 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 109 Y 8.30 4.03 0.00 3.19 3.14 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 0.00 110 Q 8.67 3.97 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 111 A 8.00 3.98 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 0.00 112 L 7.96 3.92 0.00 1.61 1.67 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.73 3.46 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 1.05 0.00 0.00 0.30 0.00 0.00 114 K 7.94 3.92 0.00 1.94 1.97 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.58 7.81 115 K 7.92 4.19 0.00 1.95 1.85 0.00 1.56 0.00 0.00 1.32 0.00 0.00 2.65 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.55 7.81 116 I 8.37 4.24 2.14 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 1.99 1.23 1.10 0.00 0.00 117 N 8.63 4.52 0.00 3.01 2.95 0.00 0.00 7.10 8.22 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 0.00 118 Q 8.50 4.06 0.00 2.48 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 119 F 8.51 3.64 0.00 3.18 3.16 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 0.00 120 F 8.56 4.14 0.00 3.36 3.14 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 0.00 121 D 8.72 4.46 0.00 2.78 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 0.00 122 H 8.25 4.39 0.00 3.27 3.18 0.00 5.79 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 0.00 123 L 7.81 3.83 0.00 1.35 1.71 0.93 0.94 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 0.00 124 I 8.12 4.09 2.10 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 1.36 0.82 1.04 0.00 0.00 125 Y 8.39 4.08 0.00 3.15 3.22 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 0.00 0.00 0.00 0.00 126 Y 8.63 3.46 0.00 3.15 2.96 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 0.00 0.00 0.00 0.00 127 T 7.87 3.74 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 0.28 0.00 0.00 128 V 7.82 3.53 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 0.99 0.00 0.00 1.07 0.00 0.00 129 H 8.06 3.77 0.00 2.39 2.88 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.17 4.07 0.00 3.99 3.96 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 0.00 0.00 0.00 0.00 131 Y 8.17 3.97 0.00 3.13 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.15 3.93 0.00 3.20 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 0.00 133 E 8.18 4.00 0.00 1.95 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 2.37 2.45 0.00 134 Q 8.14 4.06 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 135 K 7.47 3.86 0.00 1.36 1.44 0.00 1.28 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.17 7.81 136 A 7.26 4.60 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