NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4205 8.3049 120.3162 55.0420 33.6986 174.9037 2 K 4.2203 7.9423 119.0032 55.1031 34.1773 176.7249 3 T 3.8727 8.3075 118.3684 67.1468 68.8934 176.7341 4 F 4.2920 8.2955 115.5695 59.7978 38.0016 177.1932 5 E 3.5599 7.0035 118.8751 59.0039 29.2639 179.0172 6 I 3.7162 7.5227 119.8237 64.1637 37.0360 178.4226 7 L 3.9797 8.0194 119.9252 57.8490 41.4947 179.7944 8 K 3.9981 8.1133 118.3684 59.6743 31.9360 179.2538 9 H 4.1820 8.1067 116.1863 58.8181 28.6597 177.8536 10 L 4.0123 8.1017 120.9098 57.7692 41.2597 179.3557 11 Q 4.1409 8.4423 119.6866 59.0376 29.0951 178.1636 12 A 4.0925 8.0959 121.8764 55.4218 18.4858 179.4018 13 D 4.3527 8.4216 117.2088 57.2243 40.7772 178.8605 14 A 4.0327 8.2494 121.4298 55.3821 18.6193 179.6134 15 I 3.2366 7.5287 117.2190 63.8358 37.8851 178.3106 16 V 3.5458 7.6201 118.9298 65.8721 31.2723 178.1046 17 L 3.7308 8.2040 119.2271 57.2595 41.2372 179.1134 18 F 4.1468 8.1795 120.9536 61.5647 39.4490 176.9390 19 M 3.8509 7.9437 117.4342 58.3121 31.9392 178.0391 20 K 3.4693 7.7912 119.8142 59.4452 32.3096 178.9705 21 V 3.5344 7.7205 111.8038 63.4635 31.4257 178.2719 22 H 3.3208 6.9656 115.4507 58.0966 28.2165 176.9039 23 N 4.0973 7.0136 118.3472 56.8186 38.7999 176.8732 24 F 4.1727 6.9615 118.6709 60.6958 38.6723 177.0473 25 H 4.2618 7.7810 118.4707 58.5377 29.6942 176.9468 26 W 4.7646 8.0501 119.5255 58.8240 29.4039 176.8400 27 N 5.1669 8.5351 114.8759 53.0527 39.3601 175.4188 28 V 4.3204 7.7151 118.1632 63.1651 32.1600 175.5627 29 K 4.7846 9.1501 125.5762 55.5148 35.8902 175.4827 30 G 4.1806 9.1561 108.7889 44.3031 0.0000 174.9538 31 T 4.1177 8.4805 108.5458 63.0582 68.9605 174.4640 32 D 4.6208 8.1992 121.6100 55.5651 41.7159 177.6647 33 F 3.5883 8.0761 120.3844 61.4641 40.4816 176.8942 34 F 4.0576 8.8736 121.5731 61.5872 39.1233 177.2637 35 N 4.2062 8.2743 115.4616 56.3997 38.4633 177.7565 36 V 3.6079 7.5758 119.9534 64.7137 31.4285 177.8789 37 H 3.7818 8.0768 119.5464 58.7736 29.2700 177.2319 38 K 3.7285 7.5676 121.2304 59.1859 31.9878 178.7639 39 A 3.8902 8.0882 121.6940 55.3641 18.2283 179.7385 40 T 3.7666 8.0409 108.6411 64.7321 68.7333 176.3270 41 E 2.5400 7.3773 120.7318 58.5851 29.6883 178.6357 42 E 3.7819 7.4692 118.2981 59.2081 29.4263 179.4919 43 I 3.6193 7.5366 120.1035 64.5157 37.2768 178.0882 44 Y 4.6126 7.8419 118.1922 59.7088 37.7824 177.8428 45 E 4.2661 7.9054 121.0446 59.3039 29.4258 178.7309 46 E 3.9154 7.9569 119.0058 59.3584 29.6803 178.9374 47 F 4.4240 8.2869 117.6486 60.4610 39.0370 177.5442 48 A 4.0823 8.5558 120.7579 55.2562 18.0995 179.4834 49 D 4.3972 8.1065 117.1161 57.6598 40.8500 178.6162 50 M 4.2098 8.5576 119.1010 58.6085 32.2855 177.8530 51 F 4.3326 8.8810 121.3033 61.6301 39.5567 176.6986 52 D 4.0924 8.1383 117.0008 57.2509 41.0055 177.9298 53 D 4.2432 8.4184 119.7256 57.1774 40.8398 178.6137 54 L 3.8431 8.2346 119.5815 57.8103 41.8103 179.4391 55 A 3.8866 7.5340 120.0272 55.3403 18.3047 179.6026 56 E 3.9225 8.1270 116.8820 59.1577 29.4871 179.5453 57 R 3.8361 8.0218 119.2142 59.2475 30.0463 178.5750 58 I 3.7615 7.7673 119.7179 64.5585 37.0365 178.8880 59 V 3.9145 7.6065 114.2487 63.8797 31.1219 178.6849 60 Q 3.9641 7.9782 117.1183 58.5942 28.6136 177.9520 61 L 4.3205 7.6918 117.5705 54.8830 41.8386 177.6374 62 G 3.6787 8.0797 107.4812 45.8191 0.0000 172.5041 63 H 4.6301 8.0681 116.6625 53.7042 32.0209 171.9756 64 H 4.8640 8.4075 117.3525 53.9209 29.6620 173.9070 65 P 4.6582 0.0000 0.0000 61.3679 32.5518 175.7377 66 L 4.3183 8.7416 119.7940 55.2625 41.7962 177.8872 67 V 4.4925 8.5274 114.0665 60.7746 33.3171 176.1364 68 T 4.7789 7.4447 110.1468 59.0612 73.0956 174.6431 69 L 4.0334 8.4899 122.3317 57.8536 41.1672 179.7794 70 S 4.0876 8.0142 112.8280 61.5281 62.4729 175.9626 71 E 4.0224 8.2519 121.0478 59.0889 29.1519 179.1467 72 A 4.0051 7.8483 120.7805 55.2190 18.3934 179.5450 73 I 3.9800 7.6116 110.1809 62.2977 37.8127 177.5083 74 K 4.1216 7.5036 120.2973 58.5508 32.2135 177.6047 75 L 4.4778 7.5597 117.4892 54.5346 42.5070 177.1188 76 T 4.3000 7.3543 109.5480 62.0624 69.1016 174.7256 77 R 4.4685 8.7146 119.6978 55.7484 31.2868 175.8417 78 V 3.9509 7.2929 118.4318 60.7568 32.7582 175.0439 79 K 4.1527 8.2729 128.4812 55.6574 32.9320 175.8015 80 E 4.0790 8.5038 126.5836 55.7989 30.3663 175.5307 81 E 4.5105 8.4834 125.1869 55.4278 30.1141 176.2895 82 T 4.2871 8.4391 114.1381 62.4896 69.8308 175.5433 83 K 4.2163 8.7266 122.5151 56.7890 32.4796 176.4638 84 T 4.6955 7.7879 109.8368 60.7952 69.2896 173.4978 85 S 4.6046 6.6049 114.1817 58.2315 65.2566 173.4801 86 F 5.0251 9.0410 124.4350 56.5889 44.3118 172.8064 87 H 5.2293 8.3703 116.4098 54.5820 31.7869 175.7666 88 S 3.5515 8.5542 116.1215 60.9668 62.9720 176.2614 89 K 3.9243 8.2554 121.9737 60.1017 31.8871 178.2892 90 D 4.3553 7.9808 118.2752 57.1801 40.6696 178.8813 91 I 2.4007 7.1911 119.8476 64.0683 37.0844 178.4072 92 F 4.3306 7.5744 118.2975 60.0755 38.5858 178.1337 93 K 4.0015 7.9491 118.4096 59.3843 31.7940 179.2112 94 E 3.9514 7.9124 118.7551 59.5394 29.3354 179.4287 95 I 3.6677 7.6249 119.7962 64.2277 37.1050 178.2388 96 L 3.8597 7.9007 121.0568 58.0920 41.9790 178.8076 97 E 4.0445 8.2764 118.5452 59.8068 29.4770 179.2510 98 D 4.6397 8.5113 118.9475 57.5447 40.7975 178.5234 99 Y 4.3925 8.6860 117.7843 61.1720 37.7951 178.5860 100 K 4.0942 8.5205 119.5180 59.5279 32.2149 178.8610 101 Y 4.1146 8.1295 119.4750 60.7273 38.7036 177.9343 102 L 3.6961 8.2420 119.9860 57.5580 41.7434 179.0846 103 E 3.9958 8.4586 119.4707 59.2515 29.5702 179.0778 104 K 3.9740 7.8238 118.2974 59.5245 32.0402 179.2285 105 E 3.8027 7.7550 118.5749 59.3659 29.2528 179.4174 106 F 4.0968 8.4213 117.7857 59.9702 38.8677 178.0343 107 K 4.0473 7.9874 118.6140 59.2360 31.8545 179.2211 108 E 3.9083 8.1385 118.9512 59.1866 29.3310 178.7930 109 L 3.8743 7.9713 120.5385 58.4312 42.2201 178.9435 110 S 4.1228 8.2781 112.7756 61.5115 62.2502 175.9373 111 N 4.3459 8.3642 119.3487 56.6868 38.3589 177.6417 112 T 3.9923 8.5077 111.2115 64.4934 68.8624 176.6223 113 A 4.1258 8.2958 125.4363 54.3359 18.3788 179.2084 114 E 3.8801 8.1501 117.6565 59.4606 29.5312 179.2375 115 K 4.0374 7.7052 117.0775 59.2745 32.1903 178.4788 116 E 4.2994 7.9582 116.3563 56.6017 29.6332 177.6785 117 G 3.8953 7.8506 107.1693 46.2772 0.0000 175.0706 118 D 4.6295 8.1415 121.4857 52.2846 38.9346 176.3652 119 K 3.8937 8.1916 123.9213 59.4285 32.6461 178.7294 120 V 3.7871 7.7582 111.6286 64.4482 31.4712 178.6384 121 T 4.1114 8.1630 115.3177 66.1946 68.1592 177.1172 122 V 3.6456 7.7246 120.4445 66.2687 31.6136 178.2827 123 T 3.8896 7.8667 109.1354 64.6872 68.6455 176.0171 124 Y 4.0027 8.0894 122.0766 60.4821 38.9088 177.7426 125 A 4.0238 8.4037 121.9312 55.4880 18.6277 179.4258 126 D 4.2841 8.3462 117.4596 57.4229 40.7886 178.8280 127 D 4.2350 7.9192 119.6674 57.3274 40.7118 178.7861 128 Q 3.5384 7.3440 118.4094 58.4392 28.3373 178.6171 129 L 3.7560 7.5441 119.8758 57.5864 41.6095 179.3502 130 A 3.9186 7.6807 120.3671 55.1783 18.3439 179.9035 131 K 3.8715 7.6427 116.4758 59.4814 31.9956 179.6713 132 L 3.7820 7.9208 119.4913 57.9394 41.4756 179.6864 133 Q 4.0401 8.3966 118.2842 58.5880 28.5787 178.7461 134 K 4.2585 7.9800 120.6063 59.6986 32.3106 179.1943 135 S 4.1652 8.1691 115.5136 61.5425 62.6644 176.6768 136 I 3.8621 8.3004 123.0035 63.9732 36.7576 178.1630 137 W 4.2790 8.1256 128.8261 60.9845 30.6203 177.8973 138 M 3.1760 7.5600 118.3743 57.9712 31.2932 178.8233 139 L 3.6686 8.1798 119.3966 57.8852 41.5899 179.6461 140 Q 3.9866 8.0761 116.6385 58.8286 29.0365 178.3383 141 A 4.1337 8.2686 122.2843 55.3839 18.1665 179.1456 142 H 3.9322 7.8937 115.8038 58.9979 29.9599 176.5787 143 L 4.3627 7.4981 117.4318 54.8053 41.6751 176.7003 144 A 4.3039 7.5723 127.7930 52.2217 19.1199 177.1644 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 1 M 8.30 4.42 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 2 K 7.94 4.22 0.00 1.53 1.80 0.00 1.52 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.62 7.81 3 T 8.31 3.87 4.37 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 1.27 0.00 0.00 4 F 8.30 4.29 0.00 3.17 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 5 E 7.00 3.56 0.00 1.78 1.77 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 1.77 1.47 0.00 6 I 7.52 3.72 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.79 0.00 0.00 7 L 8.02 3.98 0.00 1.93 1.74 0.98 1.12 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 8 K 8.11 4.00 0.00 1.73 1.83 0.00 1.75 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.74 7.81 9 H 8.11 4.18 0.00 3.34 3.36 0.00 5.62 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 10 L 8.10 4.01 0.00 1.94 1.69 0.59 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.44 4.14 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.25 0.00 12 A 8.10 4.09 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.35 0.00 2.99 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 14 A 8.25 4.03 1.70 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 0.00 0.00 15 I 7.53 3.24 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 0.00 0.00 0.00 1.06 0.95 0.94 0.00 0.00 16 V 7.62 3.55 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 0.89 0.00 0.00 0.90 0.00 0.00 17 L 8.20 3.73 0.00 1.32 0.28 0.84 0.92 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 18 F 8.18 4.15 0.00 3.12 3.01 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 19 M 7.94 3.85 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 20 K 7.79 3.47 0.00 1.76 1.62 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.66 1.09 7.81 21 V 7.72 3.53 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 0.97 0.00 0.00 1.08 0.00 0.00 22 H 6.97 3.32 0.00 2.51 1.31 0.00 5.63 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 23 N 7.01 4.10 0.00 2.63 2.45 0.00 0.00 7.24 6.99 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 24 F 6.96 4.17 0.00 2.95 2.61 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 25 H 7.78 4.26 0.00 3.05 3.04 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.05 4.76 0.00 3.56 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 27 N 8.54 5.17 0.00 3.22 3.12 0.00 0.00 6.62 8.44 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 28 V 7.72 4.32 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 0.67 0.00 0.00 0.87 0.00 0.00 29 K 9.15 4.78 0.00 1.62 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.43 7.81 30 G 9.16 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.48 4.12 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 1.25 0.00 0.00 32 D 8.20 4.62 0.00 2.82 2.76 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 33 F 8.08 3.59 0.00 3.40 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 34 F 8.87 4.06 0.00 3.31 3.18 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 0.00 0.00 0.00 0.00 35 N 8.27 4.21 0.00 3.00 2.90 0.00 0.00 6.86 7.68 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 36 V 7.58 3.61 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 0.87 0.00 0.00 0.65 0.00 0.00 37 H 8.08 3.78 0.00 2.16 2.92 0.00 5.78 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 38 K 7.57 3.73 0.00 1.25 1.55 0.00 1.38 0.00 0.00 1.42 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.30 7.81 39 A 8.09 3.89 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 40 T 8.04 3.77 4.33 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 1.16 0.00 0.00 41 E 7.38 2.54 0.00 1.68 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 1.87 1.83 0.00 42 E 7.47 3.78 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 2.21 2.30 0.00 43 I 7.54 3.62 2.04 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 1.61 0.76 1.19 0.00 0.00 44 Y 7.84 4.61 0.00 2.81 3.03 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 0.00 0.00 0.00 45 E 7.91 4.27 0.00 2.17 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 2.30 2.28 0.00 46 E 7.96 3.92 0.00 2.15 1.67 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 2.08 2.23 0.00 47 F 8.29 4.42 0.00 3.45 3.41 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 0.00 48 A 8.56 4.08 1.56 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 49 D 8.11 4.40 0.00 2.93 2.79 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 50 M 8.56 4.21 0.00 2.50 2.22 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.90 0.00 51 F 8.88 4.33 0.00 3.22 3.34 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 52 D 8.14 4.09 0.00 2.98 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 53 D 8.42 4.24 0.00 2.76 2.43 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 54 L 8.23 3.84 0.00 1.71 1.73 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.53 3.89 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 56 E 8.13 3.92 0.00 1.95 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 0.00 2.25 2.48 0.00 57 R 8.02 3.84 0.00 1.78 1.95 0.00 3.08 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 58 I 7.77 3.76 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 1.59 0.58 1.05 0.00 0.00 59 V 7.61 3.91 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 1.09 0.00 0.00 0.92 0.00 0.00 60 Q 7.98 3.96 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 61 L 7.69 4.32 0.00 1.93 1.76 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.08 3.68 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 0.00 63 H 8.07 4.63 0.00 3.03 2.98 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.41 4.86 0.00 3.18 3.21 0.00 5.69 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 65 P 0.00 4.66 0.00 2.09 2.16 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 66 L 8.74 4.32 0.00 1.72 1.70 1.00 1.16 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 67 V 8.53 4.49 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 0.77 0.00 0.00 0.97 0.00 0.00 68 T 7.44 4.78 4.25 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 1.26 0.00 0.00 69 L 8.49 4.03 0.00 1.76 1.76 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.01 4.09 0.00 3.89 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 71 E 8.25 4.02 0.00 2.22 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 2.34 0.00 72 A 7.85 4.01 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 73 I 7.61 3.98 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 1.65 1.42 0.93 0.00 0.00 74 K 7.50 4.12 0.00 1.89 2.06 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.48 7.81 75 L 7.56 4.48 0.00 1.75 1.65 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.35 4.30 4.42 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 1.37 0.00 0.00 77 R 8.71 4.47 0.00 1.43 1.77 0.00 3.35 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 78 V 7.29 3.95 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 0.70 0.00 0.00 0.84 0.00 0.00 79 K 8.27 4.15 0.00 1.70 1.66 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 80 E 8.50 4.08 0.00 1.94 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 0.00 2.26 2.26 0.00 81 E 8.48 4.51 0.00 1.88 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 2.49 2.47 0.00 82 T 8.44 4.29 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 1.23 0.00 0.00 83 K 8.73 4.22 0.00 1.93 1.46 0.00 1.69 0.00 0.00 2.16 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.40 7.81 84 T 7.79 4.70 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 1.25 0.00 0.00 85 S 6.60 4.60 0.00 3.72 3.50 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 86 F 9.04 5.03 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 87 H 8.37 5.23 0.00 3.09 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.55 3.55 0.00 3.96 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 89 K 8.26 3.92 0.00 1.91 1.85 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.59 7.81 90 D 7.98 4.36 0.00 2.91 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 91 I 7.19 2.40 1.18 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.44 -0.14 0.00 0.00 92 F 7.57 4.33 0.00 3.02 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 93 K 7.95 4.00 0.00 1.96 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 94 E 7.91 3.95 0.00 2.05 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 2.36 0.00 95 I 7.62 3.67 1.71 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 1.50 0.67 0.29 0.00 0.00 96 L 7.90 3.86 0.00 1.96 1.81 0.94 0.83 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 97 E 8.28 4.04 0.00 2.13 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 2.59 2.53 0.00 98 D 8.51 4.64 0.00 3.01 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 99 Y 8.69 4.39 0.00 3.25 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 0.00 100 K 8.52 4.09 0.00 2.10 1.96 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.69 7.81 101 Y 8.13 4.11 0.00 3.18 3.26 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 0.00 102 L 8.24 3.70 0.00 2.03 1.92 1.27 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.46 4.00 0.00 2.07 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 0.00 2.33 2.37 0.00 104 K 7.82 3.97 0.00 1.87 1.80 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 105 E 7.76 3.80 0.00 1.72 1.63 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 0.00 1.67 1.81 0.00 106 F 8.42 4.10 0.00 3.11 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 0.00 107 K 7.99 4.05 0.00 2.02 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 108 E 8.14 3.91 0.00 2.08 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 2.57 2.40 0.00 109 L 7.97 3.87 0.00 1.85 1.91 1.16 0.94 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 0.00 110 S 8.28 4.12 0.00 4.06 4.03 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 0.00 0.00 0.00 111 N 8.36 4.35 0.00 3.00 2.85 0.00 0.00 6.83 6.72 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 0.00 112 T 8.51 3.99 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 1.27 0.00 0.00 113 A 8.30 4.13 1.46 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 0.00 0.00 114 E 8.15 3.88 0.00 2.22 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 0.00 2.31 2.36 0.00 115 K 7.71 4.04 0.00 1.90 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.63 7.81 116 E 7.96 4.30 0.00 2.09 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 2.36 2.53 0.00 117 G 7.85 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 0.00 0.00 0.00 118 D 8.14 4.63 0.00 2.74 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 0.00 119 K 8.19 3.89 0.00 1.82 1.88 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.50 7.81 120 V 7.76 3.79 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 1.00 0.00 0.00 0.95 0.00 0.00 121 T 8.16 4.11 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 122 V 7.72 3.65 2.30 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 1.15 0.00 0.00 1.11 0.00 0.00 123 T 7.87 3.89 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 1.27 0.00 0.00 124 Y 8.09 4.00 0.00 3.17 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 0.00 125 A 8.40 4.02 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 0.00 126 D 8.35 4.28 0.00 2.73 2.68 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 0.00 127 D 7.92 4.23 0.00 2.61 2.55 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 0.00 128 Q 7.34 3.54 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 1.30 1.40 0.00 129 L 7.54 3.76 0.00 1.88 1.62 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.68 3.92 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 0.00 131 K 7.64 3.87 0.00 1.72 1.71 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.51 7.81 132 L 7.92 3.78 0.00 1.75 1.63 0.80 0.99 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 0.00 133 Q 8.40 4.04 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 134 K 7.98 4.26 0.00 1.91 1.99 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.57 1.87 7.81 135 S 8.17 4.17 0.00 4.25 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 0.00 136 I 8.30 3.86 1.99 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 1.61 1.01 1.01 0.00 0.00 137 W 8.13 4.28 0.00 3.34 3.41 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 0.00 138 M 7.56 3.18 0.00 1.63 1.85 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.04 0.00 139 L 8.18 3.67 0.00 1.80 1.61 0.60 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.08 3.99 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 141 A 8.27 4.13 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 0.00 142 H 7.89 3.93 0.00 2.89 3.24 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.50 4.36 0.00 1.68 1.69 0.93 0.88 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 0.00 144 A 7.57 4.30 1.32 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 0.00 0.00 0.00