NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3865 8.2893 118.1757 55.0928 32.6419 175.0891 2 N 4.5262 8.8699 119.0955 50.7677 40.2680 174.5101 3 S 4.0329 9.1967 115.0745 61.7098 62.7644 176.8025 4 D 4.3233 8.0112 120.9796 57.3875 40.6011 178.4731 5 E 3.8936 8.0309 118.5761 59.2471 29.5195 179.3111 6 V 3.3934 7.7949 118.2716 66.0287 31.5120 177.6217 7 Q 3.9407 8.2068 119.4437 59.2690 28.7853 178.2824 8 L 3.9677 7.9500 121.0793 58.2744 42.1207 179.1021 9 I 3.4384 7.5596 119.7380 64.0475 36.7033 178.5890 10 K 4.0951 7.8999 118.3649 59.3137 32.0811 179.0763 11 K 4.4562 8.6461 121.6415 59.4040 32.1110 179.0790 12 T 4.0775 8.3893 110.0767 64.4351 68.7857 176.2876 13 W 4.5079 8.8171 131.2491 60.1975 30.8117 177.4362 14 E 3.9124 8.1670 118.9953 59.8014 28.9012 179.1709 15 I 3.7845 7.5404 120.1915 63.6607 37.3856 176.6343 16 P 4.0806 0.0000 0.0000 65.6793 30.9649 178.4915 17 V 3.2467 6.6900 117.1171 63.4224 31.3268 177.7987 18 A 4.1475 7.4770 121.2614 53.8446 19.6030 177.5790 19 T 4.5186 7.4169 106.7287 58.3153 68.7388 172.5427 20 P 4.1520 0.0000 0.0000 66.6463 31.8145 177.9672 21 T 3.8237 7.8187 113.8499 66.8848 68.4970 176.1947 22 D 4.3955 8.0228 120.1172 57.4905 40.9944 179.0457 23 S 4.1630 8.3305 115.8863 61.5373 62.8469 176.9680 24 G 3.5756 8.3653 108.4959 47.6563 0.0000 175.5279 25 A 3.9532 8.4538 123.3148 54.8354 18.3859 179.5806 26 A 3.9624 8.1253 119.2189 55.3199 18.4035 179.6908 27 I 3.5913 7.5365 117.8280 64.7153 37.1541 178.6935 28 L 3.7193 7.9833 119.4551 57.9927 41.4323 179.6455 29 T 4.0666 8.5558 116.1013 67.0028 68.4557 176.7059 30 Q 4.0244 8.2101 119.8324 58.6914 28.6849 178.2405 31 F 4.5613 8.4339 121.9397 61.8575 39.1765 177.3714 32 F 4.4662 8.0602 115.9109 60.5822 38.7946 177.3401 33 N 4.5249 8.3841 115.6202 55.9809 38.3942 177.0874 34 R 3.9901 7.8413 118.3365 57.0585 32.1678 177.1138 35 F 5.0142 8.0780 116.7721 54.5338 39.9228 173.5582 36 P 4.5276 0.0000 0.0000 64.7329 31.7723 178.3489 37 S 4.1444 8.3083 114.6694 62.1777 62.5094 176.2791 38 N 4.4847 8.1766 119.2670 55.7221 38.1940 177.0796 39 L 3.6821 7.9985 121.9153 57.8073 41.8226 178.6367 40 E 4.0766 7.9251 117.2735 58.6060 29.3944 178.7399 41 K 4.0237 8.0454 117.6420 57.1505 32.7482 176.8891 42 F 4.4122 7.3705 118.5870 54.7159 40.5144 175.2359 43 P 4.2891 0.0000 0.0000 65.1460 31.5659 176.8312 44 F 4.8531 7.2536 114.2630 56.6398 38.0392 177.4501 45 R 3.8287 7.6606 120.7404 59.8101 28.8983 177.1061 46 D 4.5749 7.9203 115.1986 54.3516 41.4402 176.4090 47 V 3.7949 7.7538 120.8063 61.5089 32.1111 174.1058 48 P 4.4045 0.0000 0.0000 62.4934 31.5314 177.3390 49 L 3.8996 8.4701 120.7698 57.9785 41.2447 179.6499 50 E 4.0700 8.1290 116.9305 58.1116 29.3019 177.6531 51 E 4.4657 8.0267 117.2085 56.0595 30.5091 177.6139 52 L 3.7203 7.2007 121.1838 57.8336 41.9383 178.6490 53 S 3.6914 7.6578 111.6368 59.9233 63.2483 174.6965 54 G 3.8723 7.2476 107.6638 45.4277 0.0000 173.9906 55 N 4.4545 7.8217 119.7991 53.1264 40.5922 175.4854 56 A 4.0091 8.5953 129.1684 55.0900 18.5227 179.9604 57 R 3.9134 8.1073 116.8780 59.5326 30.3609 178.1669 58 F 3.6164 8.1993 120.4110 61.3569 39.2736 177.2914 59 R 3.9231 8.4488 117.5472 59.2923 29.7830 178.9980 60 A 4.1266 8.1828 120.5869 55.3511 18.3519 179.1913 61 H 4.1615 8.7515 117.0666 59.1211 29.7964 177.0444 62 A 3.9157 7.9934 122.9676 55.4443 18.0922 179.9644 63 G 3.5688 7.7360 102.4078 47.8255 0.0000 176.2412 64 R 3.9617 7.7013 120.1957 59.1867 29.5574 178.9741 65 I 3.8500 7.7593 118.4617 63.9960 37.8942 178.0428 66 I 4.1468 7.7513 121.1180 64.3104 36.8352 178.2010 67 R 4.0142 8.3336 119.7648 59.4614 29.8586 178.6623 68 V 3.4059 7.5602 117.4493 66.0775 31.3975 178.0645 69 F 4.0313 8.0471 116.5011 60.4467 38.6899 177.1385 70 D 4.5589 8.8706 118.1563 57.4491 40.9710 177.9091 71 E 3.9615 8.5647 120.0901 59.3781 29.4812 178.9573 72 S 4.1759 8.0416 115.1542 61.8708 62.7471 176.8677 73 I 3.6921 7.6808 121.2021 64.1225 36.8078 178.1845 74 Q 4.1818 8.0743 118.5626 59.0401 28.8094 178.8359 75 V 4.0017 7.7077 112.8290 62.2243 31.6971 176.4941 76 L 3.9539 6.9025 118.7131 56.6062 41.7973 177.8317 77 G 3.9641 9.3392 112.2084 45.4921 0.0000 173.9671 78 Q 4.1922 7.9128 118.9864 55.2152 29.3742 175.3900 79 D 4.5209 8.5045 120.3435 56.0640 41.3861 176.9410 80 G 4.4221 8.9710 111.4639 46.4755 0.0000 175.2192 81 D 4.3759 7.9451 122.7096 56.0773 39.1679 178.1266 82 L 3.9862 7.8342 119.9079 57.7793 41.6962 179.1895 83 E 4.0209 8.0885 117.9995 59.2445 29.4999 179.4103 84 K 4.0270 8.1924 118.6489 59.3712 32.0639 179.4258 85 L 4.1680 8.4127 119.7978 57.8431 41.4545 178.9752 86 D 4.3610 8.3136 118.0364 57.2591 41.1182 178.0261 87 E 3.8970 8.2563 119.7109 59.3663 29.8488 178.7585 88 I 3.5172 7.8111 119.7659 64.2266 37.2007 178.2944 89 W 4.1013 8.4068 119.1434 59.0761 29.0183 178.9837 90 T 3.9288 8.2759 116.4481 66.3762 67.8327 176.4998 91 K 3.9172 8.0810 121.6720 59.4098 32.3002 178.9803 92 I 3.6516 7.5551 119.5316 64.2509 37.1047 178.1791 93 A 4.0965 8.0897 121.5787 55.3688 18.0170 179.9263 94 V 3.6240 7.9811 116.1241 66.0188 31.6723 178.1175 95 S 4.2642 8.0755 113.0633 61.0164 63.3142 175.3848 96 H 4.4827 8.2478 118.6417 56.9288 28.7173 177.1327 97 I 4.0129 7.8698 123.7323 63.2324 36.8049 176.2711 98 P 4.3244 0.0000 0.0000 65.0664 31.2666 177.5608 99 R 4.1330 7.8067 116.4491 55.3224 31.2869 175.9148 100 T 3.3253 7.6538 109.0027 62.3937 68.0910 173.7861 101 V 3.7525 7.2447 120.7623 62.6187 32.0418 175.3523 102 S 4.6973 8.3150 122.8659 57.8334 65.1281 175.0232 103 K 3.8777 8.5399 122.3905 59.4808 31.6770 179.1850 104 E 3.9868 8.2459 119.1179 59.6681 29.6058 179.0749 105 S 4.5074 8.2135 116.3144 61.2945 62.8276 176.1427 106 Y 4.4082 8.3407 119.5637 61.5110 37.5505 178.6557 107 N 4.5847 8.9754 117.4474 56.0827 38.5025 177.5963 108 Q 3.7104 8.2333 119.7994 58.8922 28.6923 178.6390 109 L 3.7738 8.0281 121.1147 57.5683 42.0141 178.6127 110 K 3.8434 8.3986 120.1515 59.6967 32.0497 178.9572 111 G 3.6388 7.8751 105.5828 47.6257 0.0000 175.8715 112 V 3.6624 7.6397 120.1982 65.9079 31.6016 178.1437 113 I 3.5910 7.9831 119.8621 64.4601 36.8955 178.4559 114 L 3.8859 7.9176 119.6651 57.7667 41.4128 179.2984 115 D 4.2963 8.1918 118.8857 57.4190 40.7896 179.0894 116 V 3.5581 8.0492 119.0546 65.9120 31.5212 178.1425 117 L 3.7827 7.9120 118.8630 57.6900 41.3313 179.4241 118 T 3.7215 7.9109 115.6601 66.4903 68.5126 176.3926 119 A 3.9026 7.9171 122.2030 55.1955 18.2402 179.5946 120 A 3.8514 7.8005 118.8719 54.9972 18.5057 178.6082 121 S 4.4654 7.9767 108.5948 57.3969 63.6547 174.2096 122 S 3.6663 7.4947 113.8184 59.1750 60.8538 172.5630 123 L 4.3533 7.9296 119.8680 54.6513 42.5473 178.4247 124 D 4.7516 8.9974 123.8394 52.4379 42.3171 177.4321 125 E 3.9760 8.5307 118.0164 59.6596 29.3758 179.4993 126 S 4.1560 8.0962 112.7696 61.3289 62.5347 176.0908 127 Q 4.0633 8.8666 121.0111 58.9203 28.4195 178.3920 128 A 4.1266 8.5271 122.0316 55.2250 18.4707 179.5530 129 A 3.9567 8.1961 119.2574 55.5026 18.2779 179.9930 130 T 3.7722 7.8421 113.8495 66.6353 68.5522 176.8395 131 W 3.9325 8.3552 120.6156 59.7320 29.0001 178.4060 132 A 4.0497 8.4937 120.8813 54.9590 17.7349 179.8976 133 K 3.8410 7.8611 116.9572 59.4628 32.1522 179.2691 134 L 3.7897 7.5048 120.6062 58.1738 41.9678 179.2548 135 V 3.5302 7.8798 118.1760 65.9573 31.4611 177.6866 136 D 4.1261 8.3066 119.1393 57.3516 40.3896 178.1958 137 H 3.9335 8.0416 118.6426 59.5135 29.9210 177.8828 138 V 3.1206 7.4697 113.8880 64.1033 30.9721 178.2581 139 Y 3.4994 7.9967 117.0212 60.5646 37.5558 178.5496 140 G 3.4874 7.9001 106.7737 47.6939 0.0000 175.8965 141 I 3.6751 6.8851 121.0767 64.1651 37.4684 178.1975 142 I 3.8220 7.4830 120.5862 64.6073 36.8253 178.6403 143 F 4.3657 8.5224 118.7258 59.8144 38.4885 177.3436 144 K 4.1965 7.8673 116.4040 58.4669 32.9455 177.5264 145 A 4.3737 8.0716 123.1438 52.8867 19.3809 176.7881 146 I 5.1071 7.2116 108.4145 58.7654 40.8302 174.9940 147 D 4.6840 8.5883 122.1545 52.1506 41.0976 176.9277 148 D 4.2210 8.5250 117.7246 57.3493 40.7183 178.0123 149 D 4.5468 8.1710 116.0102 54.3703 41.5023 177.1231 150 G 4.1651 8.3159 108.2362 46.4495 0.0000 173.4801 151 N 4.6874 8.2861 117.2023 51.7397 39.5408 174.4977 152 A 4.3732 8.3299 122.8005 52.3232 18.9889 177.8155 153 K 4.1173 8.5246 122.1313 56.7144 32.1619 176.6236 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 8.29 4.39 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 2 N 8.87 4.53 0.00 2.93 2.97 0.00 0.00 6.97 6.76 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 3 S 9.20 4.03 0.00 3.88 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 4 D 8.01 4.32 0.00 2.70 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 5 E 8.03 3.89 0.00 2.10 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 2.34 2.32 0.00 6 V 7.79 3.39 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 0.93 0.00 0.00 0.89 0.00 0.00 7 Q 8.21 3.94 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 8 L 7.95 3.97 0.00 1.84 1.78 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.56 3.44 1.61 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.02 0.00 0.00 0.00 10 K 7.90 4.10 0.00 1.89 1.95 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.56 7.81 11 K 8.65 4.46 0.00 1.93 1.87 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.36 7.81 12 T 8.39 4.08 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 1.40 0.00 0.00 13 W 8.82 4.51 0.00 3.99 3.54 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 0.00 0.00 0.00 14 E 8.17 3.91 0.00 2.13 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 2.39 2.74 0.00 15 I 7.54 3.78 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 1.08 0.87 0.00 0.00 16 P 0.00 4.08 0.00 1.80 2.08 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 17 V 6.69 3.25 0.67 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 0.51 0.00 0.00 0.94 0.00 0.00 18 A 7.48 4.15 1.31 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 0.00 0.00 0.00 0.00 0.00 19 T 7.42 4.52 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 1.15 0.00 0.00 20 P 0.00 4.15 0.00 2.17 2.15 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 21 T 7.82 3.82 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 1.28 0.00 0.00 22 D 8.02 4.40 0.00 2.64 2.69 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 23 S 8.33 4.16 0.00 3.79 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 24 G 8.37 3.58 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 25 A 8.45 3.95 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 26 A 8.13 3.96 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 27 I 7.54 3.59 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.83 0.00 0.00 28 L 7.98 3.72 0.00 1.57 1.69 0.45 0.58 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 29 T 8.56 4.07 4.39 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 1.31 0.00 0.00 30 Q 8.21 4.02 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 31 F 8.43 4.56 0.00 2.99 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 32 F 8.06 4.47 0.00 3.13 2.97 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 33 N 8.38 4.52 0.00 2.82 2.87 0.00 0.00 7.03 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 34 R 7.84 3.99 0.00 1.50 0.89 0.00 3.08 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 35 F 8.08 5.01 0.00 2.98 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 36 P 0.00 4.53 0.00 2.27 2.43 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 37 S 8.31 4.14 0.00 4.09 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 0.00 38 N 8.18 4.48 0.00 2.54 3.02 0.00 0.00 6.66 6.27 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 39 L 8.00 3.68 0.00 1.33 1.70 0.19 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.93 4.08 0.00 2.14 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 2.33 2.49 0.00 41 K 8.05 4.02 0.00 1.59 1.58 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.58 7.81 42 F 7.37 4.41 0.00 2.52 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 0.00 0.00 0.00 43 P 0.00 4.29 0.00 2.20 2.15 0.00 3.50 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 44 F 7.25 4.85 0.00 3.23 3.36 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 0.00 0.00 0.00 0.00 45 R 7.66 3.83 0.00 2.04 2.34 0.00 3.03 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 46 D 7.92 4.57 0.00 2.70 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 47 V 7.75 3.79 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 0.69 0.00 0.00 0.99 0.00 0.00 48 P 0.00 4.40 0.00 2.18 1.93 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 49 L 8.47 3.90 0.00 1.65 1.69 0.92 0.93 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 50 E 8.13 4.07 0.00 1.87 1.97 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 2.28 2.42 0.00 51 E 8.03 4.47 0.00 2.01 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 2.19 2.23 0.00 52 L 7.20 3.72 0.00 1.72 1.28 0.58 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.66 3.69 0.00 3.96 3.78 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 54 G 7.25 3.87 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 0.00 0.00 0.00 55 N 7.82 4.45 0.00 2.68 2.70 0.00 0.00 7.02 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 56 A 8.60 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.11 3.91 0.00 2.10 2.31 0.00 3.42 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 58 F 8.20 3.62 0.00 2.42 2.97 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 59 R 8.45 3.92 0.00 1.94 2.01 0.00 3.33 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 60 A 8.18 4.13 1.41 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 0.00 0.00 61 H 8.75 4.16 0.00 3.54 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.99 3.92 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 63 G 7.74 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.70 3.96 0.00 1.96 2.01 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 65 I 7.76 3.85 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 1.01 0.00 0.00 66 I 7.75 4.15 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.07 1.10 0.00 0.00 67 R 8.33 4.01 0.00 2.06 2.17 0.00 3.12 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 1.66 1.69 0.00 68 V 7.56 3.41 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 -0.07 0.00 0.00 0.80 0.00 0.00 69 F 8.05 4.03 0.00 3.47 2.58 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 70 D 8.87 4.56 0.00 3.37 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 71 E 8.56 3.96 0.00 2.14 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 2.29 2.35 0.00 72 S 8.04 4.18 0.00 4.17 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 73 I 7.68 3.69 1.52 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.28 0.84 0.00 0.00 74 Q 8.07 4.18 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 75 V 7.71 4.00 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 0.83 0.00 0.00 1.03 0.00 0.00 76 L 6.90 3.95 0.00 1.72 1.56 0.72 1.09 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 77 G 9.34 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 0.00 0.00 0.00 78 Q 7.91 4.19 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 79 D 8.50 4.52 0.00 2.66 2.62 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 0.00 0.00 0.00 0.00 80 G 8.97 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 0.00 0.00 0.00 0.00 81 D 7.95 4.38 0.00 2.91 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 82 L 7.83 3.99 0.00 1.70 1.76 0.90 0.90 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 83 E 8.09 4.02 0.00 2.17 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 2.40 2.46 0.00 84 K 8.19 4.03 0.00 1.96 1.86 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.57 7.81 85 L 8.41 4.17 0.00 1.85 1.82 0.88 1.00 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 86 D 8.31 4.36 0.00 2.95 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 E 8.26 3.90 0.00 2.09 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 2.28 2.34 0.00 88 I 7.81 3.52 1.80 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 1.40 1.03 0.29 0.00 0.00 89 W 8.41 4.10 0.00 3.45 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 90 T 8.28 3.93 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 1.22 0.00 0.00 91 K 8.08 3.92 0.00 1.86 1.98 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.44 7.81 92 I 7.56 3.65 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.38 0.90 0.00 0.00 93 A 8.09 4.10 1.39 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 0.00 0.00 94 V 7.98 3.62 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 0.89 0.00 0.00 0.97 0.00 0.00 95 S 8.08 4.26 0.00 4.04 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 96 H 8.25 4.48 0.00 3.42 3.41 0.00 5.83 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 97 I 7.87 4.01 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 1.39 1.21 0.94 0.00 0.00 98 P 0.00 4.32 0.00 2.18 2.16 0.00 3.73 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 1.95 2.03 0.00 99 R 7.81 4.13 0.00 1.89 1.87 0.00 3.08 0.00 0.00 3.01 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 100 T 7.65 3.33 4.22 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 1.23 0.00 0.00 101 V 7.24 3.75 1.85 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 0.20 0.00 0.00 0.88 0.00 0.00 102 S 8.31 4.70 0.00 4.23 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 0.00 103 K 8.54 3.88 0.00 1.65 1.59 0.00 1.56 0.00 0.00 0.87 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.99 7.81 104 E 8.25 3.99 0.00 2.06 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 2.38 2.43 0.00 105 S 8.21 4.51 0.00 4.04 4.13 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 0.00 0.00 0.00 0.00 106 Y 8.34 4.41 0.00 3.50 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 0.00 107 N 8.98 4.58 0.00 3.00 2.95 0.00 0.00 7.04 7.85 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 0.00 108 Q 8.23 3.71 0.00 2.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 1.20 2.22 0.00 109 L 8.03 3.77 0.00 1.01 1.82 0.13 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.40 3.84 0.00 1.75 1.85 0.00 1.09 0.00 0.00 1.35 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.43 7.81 111 G 7.88 3.64 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 0.00 0.00 0.00 112 V 7.64 3.66 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 1.22 0.00 0.00 1.28 0.00 0.00 113 I 7.98 3.59 1.96 0.00 0.00 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 1.43 0.52 0.65 0.00 0.00 114 L 7.92 3.89 0.00 1.66 1.68 0.85 0.89 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 0.00 115 D 8.19 4.30 0.00 2.85 2.70 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 0.00 116 V 8.05 3.56 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 0.95 0.00 0.00 0.94 0.00 0.00 117 L 7.91 3.78 0.00 1.27 0.92 0.24 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.91 3.72 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 1.22 0.00 0.00 119 A 7.92 3.90 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 0.00 120 A 7.80 3.85 1.24 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 0.00 0.00 0.00 121 S 7.98 4.47 0.00 3.88 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 0.00 122 S 7.49 3.67 0.00 3.94 3.83 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 0.00 123 L 7.93 4.35 0.00 1.66 1.62 0.68 0.95 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 0.00 124 D 9.00 4.75 0.00 2.96 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 0.00 125 E 8.53 3.98 0.00 2.04 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 2.41 2.37 0.00 126 S 8.10 4.16 0.00 3.90 3.87 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 0.00 127 Q 8.87 4.06 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 128 A 8.53 4.13 1.41 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 0.00 0.00 129 A 8.20 3.96 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 0.00 130 T 7.84 3.77 4.39 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 1.05 0.00 0.00 131 W 8.36 3.93 0.00 3.55 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 0.00 132 A 8.49 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.86 3.84 0.00 1.99 1.78 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.55 7.81 134 L 7.50 3.79 0.00 1.42 1.62 0.74 0.64 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 0.00 135 V 7.88 3.53 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 0.71 0.00 0.00 1.17 0.00 0.00 136 D 8.31 4.13 0.00 2.79 2.59 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 0.00 137 H 8.04 3.93 0.00 3.23 3.33 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 0.00 138 V 7.47 3.12 0.67 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 0.11 0.00 0.00 0.01 0.00 0.00 139 Y 8.00 3.50 0.00 2.82 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 0.00 0.00 0.00 140 G 7.90 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 0.00 141 I 6.89 3.68 1.96 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 1.44 0.49 0.95 0.00 0.00 142 I 7.48 3.82 1.57 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.97 0.38 0.00 0.00 143 F 8.52 4.37 0.00 3.00 3.02 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 0.00 0.00 0.00 144 K 7.87 4.20 0.00 1.92 1.95 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.45 7.81 145 A 8.07 4.37 1.35 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 0.00 0.00 0.00 146 I 7.21 5.11 1.85 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 1.50 0.59 0.98 0.00 0.00 147 D 8.59 4.68 0.00 2.88 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 0.00 148 D 8.53 4.22 0.00 2.69 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 0.00 149 D 8.17 4.55 0.00 2.75 2.69 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 0.00 150 G 8.32 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.29 4.69 0.00 3.10 2.73 0.00 0.00 6.86 6.91 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 0.00 152 A 8.33 4.37 1.24 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 0.00 0.00 0.00 153 K 8.52 4.12 0.00 1.84 1.70 0.00 1.93 0.00 0.00 1.74 0.00 0.00 3.23 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.37 7.81