NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 S 4.4040 8.1933 115.4033 57.6282 64.1031 177.5120 15 S 3.9459 8.5051 116.1346 60.4870 62.1017 173.8852 16 H 4.3795 8.2970 120.0220 58.3935 29.6891 176.7470 17 R 3.4753 7.8100 119.0625 59.6350 29.8678 177.8268 18 L 3.8050 8.6072 117.3786 57.8078 41.7316 181.0991 19 A 3.4507 7.3362 117.0781 50.6229 20.5543 179.8606 20 L 3.4173 9.2393 107.7066 58.4515 42.4845 181.3224 21 Y 4.3850 5.3700 114.0110 58.4150 38.8294 175.8330 22 R 4.0582 8.9526 113.0098 59.0724 29.8607 177.5945 23 N 4.1741 5.8510 116.8237 56.4891 37.5838 176.5036 24 Q 3.9455 8.1344 119.2076 58.7014 28.7686 178.1480 25 A 3.9445 8.7005 122.5293 54.8315 18.2131 179.4108 26 K 3.9088 8.8424 113.9770 58.8937 32.1002 180.5354 27 S 3.8840 6.4822 119.9788 61.3798 63.3496 175.0312 28 L 3.5915 8.9839 119.5220 58.5860 41.3586 180.2301 29 L 3.7399 6.6461 119.9956 58.0758 42.6314 178.9101 30 T 3.9663 7.7023 114.6850 66.8266 68.5635 175.0201 31 H 4.5295 9.1927 117.2246 56.8990 29.4699 176.2724 32 G 3.5636 7.2425 105.6948 44.7297 0.0000 172.1090 33 R 5.0567 7.0528 112.8458 56.4268 29.9491 173.2039 34 I 4.7450 7.7891 128.8789 60.1297 41.0728 174.6334 35 T 4.9004 8.4531 117.0514 61.4915 69.6209 173.2997 36 T 4.8998 8.1296 121.3525 61.0189 72.7006 173.5146 37 T 4.0644 8.9714 112.8164 61.9198 70.1595 177.8899 38 V 3.2370 9.3540 115.6915 60.7416 35.2055 177.2957 39 P 3.4287 0.0000 0.0000 63.2383 31.7316 179.1035 40 K 4.8328 8.0694 120.2081 58.7306 33.7992 176.3023 41 A 4.0229 8.4215 119.5438 55.3764 18.2770 180.0113 42 K 4.0180 8.6703 117.1263 59.2729 32.3895 177.4824 43 E 4.3244 8.2280 118.1081 57.9674 30.7086 178.8676 44 L 4.2165 8.3915 120.8947 57.7044 44.3921 179.7317 45 R 4.0278 9.9184 119.8126 57.5538 28.0362 179.6295 46 G 3.4892 8.1096 101.5335 45.5237 0.0000 178.0581 47 F 3.9054 9.2482 112.0391 61.2625 39.2285 179.7261 48 V 2.6118 5.4500 117.6610 65.2669 32.8107 174.4389 49 D 4.0437 9.6586 113.7808 57.7442 41.0759 178.9070 50 H 3.8567 11.1455 115.9094 59.0534 30.6348 176.9833 51 L 3.6345 8.6137 119.4686 58.3691 41.6859 179.9592 52 I 2.8617 8.9219 114.5120 63.6330 37.3564 177.7822 53 H 3.9546 7.6040 123.4129 58.4534 30.7706 176.7288 54 L 4.0329 8.8998 122.0037 57.2523 41.7184 178.4774 55 A 2.0000 7.9194 119.4407 54.6948 18.0700 179.7410 56 K 3.7027 7.3313 115.3236 59.6521 32.3468 179.1201 57 R 4.2051 7.3447 116.9671 58.3280 30.3878 175.1302 58 G 4.6080 8.1818 117.8175 46.7525 0.0000 172.5407 59 D 4.6001 9.2182 127.4524 53.1574 39.9771 179.0727 60 L 3.0647 6.7525 114.4637 56.3603 44.2577 178.7123 61 H 3.5935 9.2889 110.3400 58.1920 28.1950 179.4597 62 A 3.5891 5.8000 126.4512 54.0516 21.3270 180.6126 63 R 3.3740 8.4233 112.9350 59.1069 30.1168 179.6201 64 R 3.9404 8.9478 114.1896 58.2683 29.4916 177.8376 65 L 3.8257 8.9842 119.9178 56.1744 40.9182 181.1976 66 V 3.0844 7.7320 122.0310 65.0983 34.3245 175.2951 67 L 3.8299 8.4437 118.8375 59.3299 41.7887 180.6258 68 R 3.5749 8.0962 117.6267 59.5479 31.0295 176.0678 69 D 4.6481 8.0438 116.8905 55.3650 42.1342 177.2791 70 L 3.9259 8.2690 121.4744 57.4406 41.9974 176.4465 71 Q 3.2553 8.5865 122.0237 56.1017 25.6276 171.1853 72 D 5.3326 8.4283 131.9242 53.5167 44.5526 176.4322 73 V 3.0856 8.8565 124.6627 66.1346 32.2743 180.7787 74 K 4.2043 8.9833 111.0221 55.5535 35.3514 176.4514 75 L 3.7564 5.6200 121.2155 56.8589 41.4142 183.5750 76 V 2.9412 8.1989 125.4184 65.5091 34.2050 175.4367 77 R 3.8923 8.1407 121.9411 58.9591 30.1590 179.6711 78 K 4.2840 9.2001 120.0868 59.2857 32.7139 178.0480 79 L 3.8078 7.9597 120.2803 57.9676 42.0129 178.0034 80 F 3.6921 7.9291 119.8619 62.2611 39.4060 176.3383 81 D 4.4961 8.9465 118.4251 53.0663 39.3369 179.2611 82 E 2.9402 8.4903 114.0825 57.1756 29.8107 178.9075 83 I 3.3850 8.6656 126.5518 62.9201 38.1435 181.9418 84 A 2.7608 7.8619 118.8201 51.2427 20.6342 177.4032 85 P 3.8381 0.0000 0.0000 64.8394 32.6466 178.7044 86 R 3.9160 8.1546 121.9176 58.6028 30.8002 176.7880 87 Y 4.5845 11.1234 113.9272 57.7845 40.2300 174.7377 88 R 3.9915 7.5391 119.9245 57.7006 29.1617 176.2446 89 D 5.5821 8.3291 133.0774 54.8371 37.9369 179.6148 90 R 4.1552 10.5945 120.8976 55.0883 29.9086 177.4659 91 Q 4.0464 8.3953 124.2397 56.4982 29.7461 175.0386 92 G 3.2716 9.5154 112.3010 46.9596 0.0000 171.8099 93 G 3.8162 7.8732 107.1102 45.1858 0.0000 174.5810 94 Y 4.3311 7.1959 117.4047 59.3736 39.6776 175.9312 95 T 5.2999 12.0000 114.9041 62.1458 73.1221 174.3726 96 R 4.4800 9.4304 123.0521 53.8257 30.3240 173.0580 97 V 3.8681 8.2357 125.3286 63.7450 32.4608 174.4598 98 L 4.7438 9.0397 129.3674 52.5519 43.8862 177.0646 99 K 4.4244 8.7536 124.9720 56.2326 33.0478 174.8609 100 L 4.8442 7.9861 119.9574 52.5171 44.9932 176.8482 101 A 4.2100 8.5361 122.3958 54.4012 19.2165 177.3602 102 E 4.8579 7.5169 119.1227 56.5444 32.7584 174.7392 103 R 5.3116 8.1366 109.7328 56.0110 31.9424 175.0081 104 R 3.9833 8.4671 123.9374 56.6280 31.3383 176.9541 105 R 4.0654 8.6062 124.7638 56.7658 30.8006 177.1158 106 G 3.9311 8.5724 103.8489 47.3753 0.0000 174.7014 107 D 3.9976 8.3530 111.3248 55.6783 40.1984 177.7257 108 G 4.1193 6.1191 102.5055 45.4794 0.0000 173.5931 109 A 4.4244 10.1153 123.9080 49.0348 19.7662 178.1238 110 P 5.0446 0.0000 0.0000 65.4252 28.6495 176.0495 111 L 4.3882 6.6289 118.8518 53.8377 46.9367 178.5464 112 A 5.3273 8.0827 128.2123 51.1881 19.7740 175.2914 113 L 5.4449 8.5537 122.5073 52.4578 45.6640 175.5430 114 V 5.0693 8.1701 122.2649 61.4659 35.5788 173.4104 115 E 5.1036 8.5229 122.7872 54.6768 33.9907 174.3577 116 L 5.3366 8.8319 120.2760 54.4412 40.2700 176.4951 117 V 3.4447 7.7417 124.0101 61.3655 30.9799 176.3378 118 E 4.2233 8.5029 123.9811 56.5470 30.4652 175.2721 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 14 S 8.19 4.40 0.00 3.93 3.39 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 0.00 15 S 8.51 3.95 0.00 3.82 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 16 H 8.30 4.38 0.00 3.10 3.26 0.00 5.66 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 17 R 7.81 3.48 0.00 1.86 1.86 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 18 L 8.61 3.81 0.00 1.65 1.58 0.96 1.60 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 19 A 7.34 3.45 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 20 L 9.24 3.42 0.00 1.58 1.30 0.53 1.22 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 21 Y 5.37 4.38 0.00 3.46 3.61 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 22 R 8.95 4.06 0.00 1.97 2.01 0.00 3.19 0.00 0.00 3.27 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 23 N 5.85 4.17 0.00 2.99 3.14 0.00 0.00 7.30 7.77 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 24 Q 8.13 3.95 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 25 A 8.70 3.94 1.22 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 0.00 0.00 26 K 8.84 3.91 0.00 1.89 1.65 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.32 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.64 7.81 27 S 6.48 3.88 0.00 3.88 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 28 L 8.98 3.59 0.00 1.83 1.65 0.95 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 29 L 6.65 3.74 0.00 1.72 1.59 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.70 3.97 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 1.15 0.00 0.00 31 H 9.19 4.53 0.00 2.98 3.32 0.00 5.68 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 32 G 7.24 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 33 R 7.05 5.06 0.00 2.08 2.23 0.00 2.81 0.00 0.00 3.90 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.38 0.00 34 I 7.79 4.75 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.95 0.00 0.00 35 T 8.45 4.90 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 1.22 0.00 0.00 36 T 8.13 4.90 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 1.25 0.00 0.00 37 T 8.97 4.06 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 1.22 0.00 0.00 38 V 9.35 3.24 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 0.95 0.00 0.00 1.01 0.00 0.00 39 P 0.00 3.43 0.00 2.25 1.83 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 40 K 8.07 4.83 0.00 2.12 1.99 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.58 7.81 41 A 8.42 4.02 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 42 K 8.67 4.02 0.00 1.86 1.94 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.49 7.81 43 E 8.23 4.32 0.00 2.39 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 2.40 2.29 0.00 44 L 8.39 4.22 0.00 2.07 1.73 0.95 0.87 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 45 R 9.92 4.03 0.00 1.87 1.93 0.00 3.19 0.00 0.00 3.20 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 46 G 8.11 3.49 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 0.00 47 F 9.25 3.91 0.00 2.65 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 48 V 5.45 2.61 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 0.90 0.00 0.00 0.82 0.00 0.00 49 D 9.66 4.04 0.00 2.70 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 50 H 11.15 3.86 0.00 3.38 3.49 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 51 L 8.61 3.63 0.00 1.69 1.48 0.57 0.90 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 52 I 8.92 2.86 2.04 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 1.02 0.35 0.35 0.00 0.00 53 H 7.60 3.95 0.00 3.35 3.33 0.00 5.57 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 54 L 8.90 4.03 0.00 1.80 1.81 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.92 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.33 3.70 0.00 1.64 1.66 0.00 1.62 0.00 0.00 0.92 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.07 1.22 7.81 57 R 7.34 4.21 0.00 2.07 2.09 0.00 3.36 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 58 G 8.18 4.61 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 0.00 59 D 9.22 4.60 0.00 2.95 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 60 L 6.75 3.06 0.00 1.78 1.74 1.00 0.76 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 61 H 9.29 3.59 0.00 3.37 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 5.80 3.59 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 0.00 0.00 0.00 0.00 0.00 63 R 8.42 3.37 0.00 1.66 1.56 0.00 2.81 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 64 R 8.95 3.94 0.00 1.90 2.24 0.00 2.89 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 65 L 8.98 3.83 0.00 1.92 1.56 1.00 0.64 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 66 V 7.73 3.08 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 1.06 0.00 0.00 1.14 0.00 0.00 67 L 8.44 3.83 0.00 1.67 1.84 0.90 0.99 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 68 R 8.10 3.57 0.00 2.10 1.90 0.00 3.32 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 69 D 8.04 4.65 0.00 2.95 2.81 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 70 L 8.27 3.93 0.00 1.65 1.76 0.87 1.02 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 71 Q 8.59 3.26 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.21 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 72 D 8.43 5.33 0.00 2.74 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 73 V 8.86 3.09 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 0.91 0.00 0.00 0.91 0.00 0.00 74 K 8.98 4.20 0.00 2.06 1.72 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.48 7.81 75 L 5.62 3.76 0.00 1.76 0.80 0.89 0.89 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 76 V 8.20 2.94 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 0.91 0.00 0.00 0.87 0.00 0.00 77 R 8.14 3.89 0.00 2.19 2.01 0.00 3.19 0.00 0.00 3.06 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 78 K 9.20 4.28 0.00 1.73 1.74 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.49 7.81 79 L 7.96 3.81 0.00 1.68 1.62 0.83 0.69 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 80 F 7.93 3.69 0.00 3.23 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 81 D 8.95 4.50 0.00 2.90 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 82 E 8.49 2.94 0.00 2.44 1.54 0.00 0.00 0.00 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 2.41 0.00 83 I 8.67 3.39 1.55 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.41 0.00 0.00 84 A 7.86 2.76 1.12 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 0.00 0.00 85 P 0.00 3.84 0.00 2.21 1.98 0.00 3.74 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 2.31 2.12 0.00 86 R 8.15 3.92 0.00 2.01 2.16 0.00 3.15 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 87 Y 11.12 4.58 0.00 2.90 2.75 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 88 R 7.54 3.99 0.00 1.66 1.91 0.00 3.40 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 89 D 8.33 5.58 0.00 2.90 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 90 R 10.59 4.16 0.00 1.84 1.61 0.00 2.77 0.00 0.00 2.91 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 91 Q 8.40 4.05 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 92 G 9.52 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 0.00 0.00 0.00 93 G 7.87 3.82 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 0.00 94 Y 7.20 4.33 0.00 3.27 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 95 T 12.00 5.30 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 1.35 0.00 0.00 96 R 9.43 4.48 0.00 1.80 2.04 0.00 3.43 0.00 0.00 3.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 97 V 8.24 3.87 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 0.82 0.00 0.00 0.96 0.00 0.00 98 L 9.04 4.74 0.00 1.67 1.55 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.75 4.42 0.00 1.72 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.47 7.81 100 L 7.99 4.84 0.00 1.72 1.54 0.93 0.81 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 0.00 101 A 8.54 4.21 1.28 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 0.00 0.00 102 E 7.52 4.86 0.00 2.10 1.78 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 2.30 2.35 0.00 103 R 8.14 5.31 0.00 1.81 1.84 0.00 2.71 0.00 0.00 3.81 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 0.00 104 R 8.47 3.98 0.00 1.92 2.07 0.00 3.18 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 105 R 8.61 4.07 0.00 1.82 1.90 0.00 3.46 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 106 G 8.57 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.35 4.00 0.00 2.62 2.60 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 0.00 108 G 6.12 4.12 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 0.00 0.00 0.00 109 A 10.12 4.42 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 0.00 110 P 0.00 5.04 0.00 2.10 2.13 0.00 3.41 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 111 L 6.63 4.39 0.00 1.66 1.24 0.95 0.89 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 0.00 112 A 8.08 5.33 1.44 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 0.00 113 L 8.55 5.44 0.00 1.63 1.48 0.94 1.15 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 0.00 114 V 8.17 5.07 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 1.03 0.00 0.00 0.96 0.00 0.00 115 E 8.52 5.10 0.00 2.32 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 2.21 2.28 0.00 116 L 8.83 5.34 0.00 2.06 1.87 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.74 3.44 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 0.85 0.00 0.00 118 E 8.50 4.22 0.00 2.05 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 2.60 2.39 0.00