NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 3.9501 8.3393 109.7364 45.8866 0.0000 172.7157 12 S 4.3658 8.0082 114.3697 56.8388 65.3549 170.9953 13 E 4.3949 9.1950 121.5577 55.2053 31.3061 177.9352 14 E 4.1739 8.3793 120.6539 56.6954 30.0383 177.7521 15 V 4.0390 8.2095 113.1539 62.4372 31.9793 177.4414 16 S 4.6386 7.4060 115.3545 56.3468 62.5933 174.4846 17 E 4.0269 8.2040 119.9579 56.9683 29.9786 175.5831 18 P 4.5372 0.0000 0.0000 62.8852 32.8216 174.7347 19 G 4.4029 8.5853 106.9882 45.0884 0.0000 170.6218 20 D 5.0260 8.3542 117.2407 52.8402 42.4642 175.2890 21 A 4.1452 8.5548 122.1937 51.8661 23.0793 177.5851 22 N 4.0875 9.0678 121.2786 54.5289 37.9931 174.9595 23 I 4.2476 8.6086 129.2980 62.4531 39.0895 175.0026 24 F 5.6291 7.7440 115.0985 55.2816 41.7615 173.8451 25 R 5.0595 9.2288 118.0325 54.4113 34.6838 174.4747 26 V 4.3177 8.5604 122.1468 59.8982 34.1370 173.9581 27 D 4.8611 8.1678 124.4510 52.5293 42.1306 177.0718 28 K 4.0148 8.6330 125.9018 58.6985 32.8972 178.2446 29 D 4.4088 8.2209 117.6670 57.3269 41.2706 177.3002 30 S 4.2795 8.5250 113.0068 58.7466 63.6971 173.5911 31 R 3.7171 8.0218 118.0782 57.2365 26.9748 173.7652 32 E 5.0269 8.1486 116.9205 54.5230 35.1818 176.6097 33 V 4.6754 9.0857 119.8680 60.3468 34.7209 174.0178 34 Y 5.2058 8.9668 123.4131 56.5326 39.9961 175.0343 35 M 4.7469 9.0929 125.0572 54.7485 33.6824 176.2166 36 H 4.1301 8.7855 123.4567 59.3049 29.8477 176.1656 37 E 4.2156 8.2700 116.5041 57.9609 30.2149 176.4264 38 K 4.2602 7.7210 114.4391 55.9053 35.4621 173.8569 39 K 4.5457 8.5614 122.3939 55.7250 33.2384 176.0787 40 L 4.9638 8.7567 125.2280 53.5410 45.9619 176.3773 41 D 4.8721 8.2046 116.9133 52.9505 41.6999 174.4236 42 L 4.2341 8.2266 126.0215 56.5689 40.4884 180.4807 43 T 4.7588 8.8289 122.6120 61.5509 74.3740 172.8398 44 R 4.1722 8.8449 121.5999 60.1228 29.8597 178.3695 45 A 3.9623 7.9761 119.7289 55.2057 18.5139 179.3661 46 E 3.9683 8.1748 116.7094 59.4450 29.6408 178.3112 47 Y 4.3638 8.2365 119.8612 61.0871 38.7906 177.9442 48 E 3.2583 7.9358 119.8638 59.1897 29.5594 178.9501 49 I 3.7330 7.7172 119.5266 64.4873 37.2784 178.3033 50 L 3.8714 8.1996 121.1779 57.7941 41.9079 178.5258 51 S 3.4478 8.3967 113.7586 61.3815 62.2378 176.0865 52 L 3.8287 7.7729 122.6123 57.8467 41.7395 178.5638 53 L 3.6911 7.9656 120.6546 58.3171 41.7170 179.2007 54 I 3.6323 7.1284 118.2368 64.0077 36.9927 178.0373 55 S 4.4026 7.4778 113.7370 61.7842 62.3096 175.7248 56 K 4.0768 8.4004 121.6465 55.5199 32.8289 176.7593 57 K 4.5644 7.4672 125.5831 55.4159 35.5900 175.0279 58 G 3.7484 8.9597 109.9181 48.1459 0.0000 174.0860 59 Y 3.4644 7.8449 122.0001 57.3124 38.2356 167.6305 60 V 4.3838 6.4592 118.2919 61.1396 33.3936 176.5720 61 F 4.7326 8.9592 132.1873 57.9324 39.9166 174.3019 62 S 5.2699 8.5305 122.1802 56.1343 66.5706 175.3444 63 R 3.8445 8.9825 120.8897 59.7558 28.9082 178.4442 64 E 3.9310 8.1879 118.3125 59.0851 29.5865 178.9064 65 S 4.1788 8.1399 116.4779 60.8819 62.9052 176.5685 66 I 3.6502 8.3563 122.4460 64.5888 36.4439 178.3824 67 A 4.1041 8.2092 121.3355 55.1104 17.8872 179.7573 68 I 3.7710 7.6666 117.8667 64.0335 37.2947 177.6186 69 E 4.3144 8.0352 118.0075 58.2834 30.1100 178.2496 70 S 4.1458 8.4885 113.6839 60.5261 62.8652 175.3421 71 E 4.0482 8.3350 118.6387 56.4124 28.2577 175.1493 72 S 4.4124 7.7706 110.7298 59.7286 63.3612 173.8861 73 I 4.4032 6.9053 121.7316 59.9172 38.4849 175.5147 74 N 4.4056 8.7680 123.2570 55.7598 39.0058 173.8269 75 P 4.4114 0.0000 0.0000 62.2553 31.6747 176.8620 76 E 4.1713 8.7543 121.9371 58.0298 30.2181 177.9767 77 S 4.1643 8.0528 114.2588 59.2064 63.7340 175.3949 78 S 3.7137 8.2118 115.5864 59.4704 60.9417 172.9423 79 N 4.2239 7.6719 120.9272 56.5866 38.3539 176.6563 80 K 4.1436 7.9458 119.0721 58.1002 32.5886 179.1312 81 S 4.0541 7.8788 114.4341 61.5485 63.1247 176.1874 82 I 3.6390 7.9306 123.1100 63.3818 37.6712 177.2716 83 D 4.2177 7.6437 118.3167 57.3282 41.0455 178.3641 84 V 3.5707 7.8978 118.7859 66.0322 31.4341 178.0913 85 I 3.6685 8.1054 119.7599 64.4667 36.9774 178.3593 86 I 3.5005 8.0293 121.1235 64.2122 36.8167 178.6798 87 G 3.5640 8.0152 106.2449 48.1257 0.0000 176.0579 88 R 3.9495 8.3435 121.6765 58.2178 29.9991 178.8695 89 L 3.9356 8.2323 120.7504 58.1472 42.1262 178.7736 90 R 3.8608 8.0140 118.5596 59.7195 29.9896 178.4541 91 S 4.1192 8.2659 114.8496 61.6153 62.8627 176.9456 92 K 4.0057 8.3336 121.5405 59.3868 31.6918 179.0506 93 I 4.2147 7.6991 111.8482 61.7469 37.8593 177.0330 94 E 4.1730 8.0646 121.2459 58.7336 29.8335 177.6824 95 K 4.0736 7.9259 118.5690 58.6773 32.6958 177.1617 96 N 4.6892 7.4723 115.1833 51.9642 39.2327 173.7683 97 P 4.3252 0.0000 0.0000 65.0602 31.5570 176.9588 98 K 4.0851 7.9836 121.7997 56.1800 32.5328 175.3593 99 Q 4.5811 8.2606 123.2644 53.4714 31.7594 172.9775 100 P 4.6926 0.0000 0.0000 62.7737 32.3721 175.9008 101 Q 4.4966 8.4523 113.5774 56.8995 30.9977 175.3674 102 Y 4.3608 8.1726 113.9409 58.0758 38.6739 174.4641 103 I 4.7240 7.7051 121.5002 60.4366 38.5336 175.2157 104 I 4.6698 8.8035 127.3364 59.4415 40.6269 175.0455 105 S 4.5587 8.7782 122.7263 58.4595 63.8171 174.7934 106 V 4.2899 8.6666 124.1055 60.9055 31.2097 176.7577 107 R 3.4001 8.3076 129.8535 57.2879 30.5291 177.2714 108 G 3.9962 8.6856 102.9677 45.3404 0.0000 174.0160 109 I 3.9772 7.7697 121.3232 62.4128 38.4531 176.5192 110 G 4.1582 6.6158 110.0491 45.2954 0.0000 172.1370 111 Y 5.2197 8.5967 123.3033 55.3486 41.2813 174.9554 112 K 4.6579 9.2337 126.6074 56.1090 33.3195 175.2663 113 L 5.3552 8.8264 126.9708 52.9183 46.1756 174.1856 114 E 4.8111 8.6110 122.3411 54.1353 33.2325 174.7160 115 Y 4.3832 8.2582 121.2507 57.3632 38.2506 175.5441 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 11 G 8.34 3.95 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 0.00 0.00 0.00 12 S 8.01 4.37 0.00 4.02 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 13 E 9.19 4.39 0.00 1.95 1.91 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 2.28 2.38 0.00 14 E 8.38 4.17 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 15 V 8.21 4.04 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 0.67 0.00 0.00 0.93 0.00 0.00 16 S 7.41 4.64 0.00 3.91 3.86 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 17 E 8.20 4.03 0.00 1.96 1.91 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 2.31 2.46 0.00 18 P 0.00 4.54 0.00 1.97 1.95 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 19 G 8.59 4.40 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 0.00 20 D 8.35 5.03 0.00 2.63 2.53 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 21 A 8.55 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 9.07 4.09 0.00 2.76 2.62 0.00 0.00 7.08 7.41 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 23 I 8.61 4.25 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 1.04 0.00 0.00 24 F 7.74 5.63 0.00 3.12 3.11 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 25 R 9.23 5.06 0.00 1.65 1.68 0.00 3.15 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 26 V 8.56 4.32 1.83 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 0.78 0.00 0.00 0.31 0.00 0.00 27 D 8.17 4.86 0.00 2.09 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 0.00 0.00 0.00 0.00 28 K 8.63 4.01 0.00 1.89 1.81 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 29 D 8.22 4.41 0.00 2.60 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 30 S 8.53 4.28 0.00 4.04 4.09 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 31 R 8.02 3.72 0.00 1.96 2.06 0.00 3.19 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 32 E 8.15 5.03 0.00 1.98 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 0.00 2.27 2.26 0.00 33 V 9.09 4.68 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 0.95 0.00 0.00 1.21 0.00 0.00 34 Y 8.97 5.21 0.00 2.86 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 35 M 9.09 4.75 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 36 H 8.79 4.13 0.00 3.39 3.40 0.00 5.99 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 37 E 8.27 4.22 0.00 2.00 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 2.17 2.26 0.00 38 K 7.72 4.26 0.00 1.90 1.85 0.00 1.35 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.33 7.81 39 K 8.56 4.55 0.00 1.41 1.62 0.00 1.76 0.00 0.00 0.82 0.00 0.00 2.58 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.45 7.81 40 L 8.76 4.96 0.00 1.97 1.60 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.20 4.87 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.23 4.23 0.00 1.73 1.27 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.83 4.76 4.48 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 0.00 0.00 0.00 1.25 0.00 0.00 44 R 8.84 4.17 0.00 1.97 2.03 0.00 3.26 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.99 0.00 45 A 7.98 3.96 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 46 E 8.17 3.97 0.00 2.32 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 0.00 2.43 2.45 0.00 47 Y 8.24 4.36 0.00 3.07 3.28 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 0.00 48 E 7.94 3.26 0.00 1.99 1.92 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 2.19 2.24 0.00 49 I 7.72 3.73 2.17 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 1.52 0.75 1.07 0.00 0.00 50 L 8.20 3.87 0.00 2.12 1.77 1.19 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.40 3.45 0.00 4.04 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.77 3.83 0.00 1.85 1.57 0.87 0.36 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 53 L 7.97 3.69 0.00 1.28 1.29 0.54 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.13 3.63 1.05 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 1.33 0.81 1.05 0.00 0.00 55 S 7.48 4.40 0.00 4.06 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 56 K 8.40 4.08 0.00 1.81 1.74 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.57 7.81 57 K 7.47 4.56 0.00 2.12 1.84 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.11 1.14 7.81 58 G 8.96 3.75 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 0.00 59 Y 7.84 3.46 0.00 3.22 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 60 V 6.46 4.38 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 0.74 0.00 0.00 0.68 0.00 0.00 61 F 8.96 4.73 0.00 2.61 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 0.00 0.00 0.00 62 S 8.53 5.27 0.00 3.83 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 63 R 8.98 3.84 0.00 2.20 2.23 0.00 2.98 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 64 E 8.19 3.93 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 65 S 8.14 4.18 0.00 4.12 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.36 3.65 2.07 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.82 0.00 0.00 67 A 8.21 4.10 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 68 I 7.67 3.77 2.04 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 1.53 0.71 0.91 0.00 0.00 69 E 8.04 4.31 0.00 2.12 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 2.28 2.32 0.00 70 S 8.49 4.15 0.00 3.94 3.95 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 71 E 8.33 4.05 0.00 2.26 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 2.26 2.34 0.00 72 S 7.77 4.41 0.00 3.98 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 73 I 6.91 4.40 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 0.91 0.00 0.00 74 N 8.77 4.41 0.00 2.71 2.87 0.00 0.00 7.04 8.02 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 75 P 0.00 4.41 0.00 2.21 2.19 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 76 E 8.75 4.17 0.00 2.10 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 2.28 2.30 0.00 77 S 8.05 4.16 0.00 4.03 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 78 S 8.21 3.71 0.00 4.15 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 79 N 7.67 4.22 0.00 2.88 2.82 0.00 0.00 7.19 6.62 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 80 K 7.95 4.14 0.00 1.87 1.82 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.53 7.81 81 S 7.88 4.05 0.00 4.02 4.10 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 0.00 0.00 0.00 0.00 82 I 7.93 3.64 1.85 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 1.37 1.27 0.95 0.00 0.00 83 D 7.64 4.22 0.00 3.04 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 V 7.90 3.57 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.97 0.00 0.00 85 I 8.11 3.67 1.80 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 1.54 0.38 0.89 0.00 0.00 86 I 8.03 3.50 1.80 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.75 0.00 0.00 87 G 8.02 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.34 3.95 0.00 2.04 2.00 0.00 3.18 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 89 L 8.23 3.94 0.00 1.87 1.75 1.09 0.79 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 90 R 8.01 3.86 0.00 1.96 2.06 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 91 S 8.27 4.12 0.00 4.03 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 92 K 8.33 4.01 0.00 1.91 2.00 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.33 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.78 7.81 93 I 7.70 4.21 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.31 0.99 0.00 0.00 94 E 8.06 4.17 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 95 K 7.93 4.07 0.00 1.86 1.86 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.48 7.81 96 N 7.47 4.69 0.00 2.87 2.71 0.00 0.00 7.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.33 0.00 2.16 2.17 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 98 K 7.98 4.09 0.00 1.82 1.71 0.00 1.52 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.49 7.81 99 Q 8.26 4.58 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 100 P 0.00 4.69 0.00 2.28 2.17 0.00 3.74 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 2.02 2.00 0.00 101 Q 8.45 4.50 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 102 Y 8.17 4.36 0.00 3.20 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 0.00 103 I 7.71 4.72 2.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 1.19 0.00 0.00 104 I 8.80 4.67 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.06 0.91 0.00 0.00 105 S 8.78 4.56 0.00 3.76 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 0.00 106 V 8.67 4.29 2.19 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 1.02 0.00 0.00 0.99 0.00 0.00 107 R 8.31 3.40 0.00 1.89 1.16 0.00 3.32 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 108 G 8.69 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 0.00 109 I 7.77 3.98 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.88 0.00 0.00 110 G 6.62 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 0.00 0.00 0.00 111 Y 8.60 5.22 0.00 3.16 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 0.00 112 K 9.23 4.66 0.00 1.82 1.70 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.44 7.81 113 L 8.83 5.36 0.00 1.74 1.50 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.61 4.81 0.00 1.86 1.69 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 1.65 1.93 0.00 115 Y 8.26 4.38 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