NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.6095 8.4449 117.8253 54.5079 31.4242 172.8267 1C H 3.4658 8.1020 114.6052 57.2277 24.9714 173.1859 1D H 4.1701 8.7842 112.3543 56.6832 27.9886 174.3736 1E H 5.1458 7.7978 114.8744 53.7408 32.5348 172.7604 1F H 4.5801 8.9282 116.6941 56.0743 28.8921 174.6374 1G F 4.7393 8.4536 119.4520 57.7578 39.8710 174.4757 2 N 4.5144 8.4148 117.1990 52.6218 38.8393 174.2820 3 L 4.8407 8.1372 122.6087 52.0941 44.7597 174.2983 4 P 4.6014 0.0000 0.0000 60.5755 32.8608 173.9481 5 P 4.1116 0.0000 0.0000 62.5844 31.4414 176.6139 6 G 3.7475 8.5323 111.3160 46.1288 0.0000 173.0732 7 N 4.9436 7.5565 124.2072 52.8151 37.3510 174.3191 8 Y 4.8781 7.5702 113.7785 58.7875 38.8354 177.4016 9 K 3.8709 7.4622 119.2218 57.4670 32.5946 177.5967 10 K 4.5675 7.4802 120.4963 53.7490 34.9261 174.4019 11 P 4.7256 0.0000 0.0000 63.4446 32.0017 175.4373 12 V 4.7484 9.3771 120.5821 60.4616 35.8494 173.4952 13 L 4.9679 9.0682 120.3787 52.9879 44.8123 176.2638 14 L 5.0526 8.6581 123.1180 53.6108 43.0115 174.3395 15 Y 4.9120 9.3629 126.9555 56.7442 40.6079 173.5659 16 C 3.9932 8.1946 127.9698 57.4535 32.4201 173.8262 17 S 3.6445 7.8459 121.9325 61.2841 61.9203 174.0028 18 N 4.1582 7.3603 119.3247 55.8303 37.1772 172.5340 19 G 4.0021 8.4020 113.6427 43.7344 0.0000 171.6577 20 G 3.3930 7.3101 106.2828 46.8813 0.0000 172.8544 21 H 4.8020 7.5496 114.6908 53.7768 32.5053 173.9504 22 F 5.3897 8.5551 119.1842 55.5126 41.0146 175.4371 23 L 4.3773 8.8319 126.0328 55.8784 42.7878 176.2895 24 R 4.6478 9.5401 125.4466 54.7082 33.6900 173.6507 25 I 4.8074 8.0325 126.6821 59.5528 38.4984 175.7998 26 L 4.1249 8.9744 128.2497 53.4041 42.2401 177.0329 27 P 4.3668 0.0000 0.0000 65.0483 31.3694 176.9817 28 D 4.6900 8.0974 116.7113 52.9669 39.5369 177.5996 29 G 4.0624 8.1825 107.7408 46.2525 0.0000 174.1077 30 T 4.5349 8.4159 117.5590 63.3472 69.8081 173.8845 31 V 5.0188 7.9294 123.8430 61.5793 34.9636 174.1580 32 D 4.4955 8.5728 124.6762 53.2719 43.1674 174.1616 33 G 4.5437 8.7979 105.4868 45.0656 0.0000 173.0034 34 T 4.9540 8.5599 115.5314 60.4517 70.8833 174.7538 35 R 4.0370 8.8875 125.7157 57.1305 30.9193 176.1288 36 D 4.6644 8.0971 118.9438 53.3194 40.5222 176.9633 37 R 3.7582 8.6864 127.2059 58.7303 30.2775 178.3530 38 S 4.2431 8.1649 110.7162 59.2198 63.6905 173.8206 39 D 4.3209 7.6209 121.1496 55.3665 41.3445 176.7532 40 Q 4.4327 8.4487 128.2488 55.6717 28.2835 176.2542 41 H 4.8130 8.3553 110.7019 56.1399 33.3636 175.2965 42 I 4.3342 7.6144 112.1222 60.8185 38.3815 175.4811 43 Q 4.1754 7.8259 121.8262 56.0972 29.4946 174.7606 44 L 5.1307 8.9923 124.9621 52.7489 45.4975 175.4840 45 Q 4.8171 9.3554 125.0416 54.4579 30.9225 174.0083 46 L 5.6766 8.8721 126.8714 52.8924 43.4003 176.2972 47 S 4.6459 8.6845 116.7199 56.4100 66.6195 172.7683 48 A 5.1471 7.8477 124.0217 49.5675 19.7564 176.8602 49 E 4.0639 8.5358 122.1177 58.4938 30.5600 176.6956 50 S 4.5163 7.3642 112.8787 57.5995 67.2692 174.1372 51 V 3.8220 8.4966 123.4625 65.9905 31.3420 175.2360 52 G 4.0819 9.3105 116.0495 44.9122 0.0000 171.8747 53 E 4.9914 8.4742 120.0109 55.1377 31.4134 176.0751 54 V 4.8327 8.9271 116.7618 59.9943 37.1743 173.6484 55 Y 5.2598 8.9730 118.6829 56.5309 41.7485 175.6752 56 I 4.2954 8.5687 122.2105 59.5899 39.9086 173.8969 57 K 4.8183 8.4403 128.5758 54.2658 35.1109 174.9702 58 S 4.8311 8.3755 121.7250 58.2300 62.9700 174.9647 59 T 3.8224 8.5108 117.4904 64.0091 68.7807 175.2154 60 E 4.1720 7.8890 122.3260 58.5172 30.3377 177.3414 61 T 3.9943 7.7559 109.3722 62.9927 69.4874 175.9315 62 G 3.8963 8.0121 108.0959 44.6186 0.0000 173.2287 63 Q 4.4754 7.9178 119.1261 56.0064 30.3158 174.8133 64 Y 4.7119 9.1855 121.3778 56.3329 39.4901 174.9910 65 L 4.4235 9.1514 127.2793 56.0008 43.3784 175.7642 66 A 5.6414 8.7692 125.5445 50.2045 23.3649 174.3943 67 M 5.3978 8.5068 118.5204 53.9752 35.1231 175.3724 68 D 5.5636 9.3634 126.1511 51.8689 41.3774 176.8504 69 T 4.3554 8.5387 107.9620 63.7213 68.7029 174.4323 70 D 4.5816 8.3377 120.9166 54.4171 41.8558 177.0916 71 G 3.1580 8.2137 108.0406 44.4677 0.0000 172.7130 72 L 4.9536 7.8165 118.8008 52.8428 44.5381 175.8878 73 L 5.3568 8.3713 121.1280 54.6059 43.5747 175.0468 74 Y 4.7846 8.5924 118.2050 56.6212 42.0366 173.8424 75 G 4.2234 8.9371 108.5751 44.6953 0.0000 173.6757 76 S 4.5383 8.6907 122.5127 58.1286 63.4440 174.5160 77 Q 4.1939 9.0452 124.5134 58.0366 29.2547 176.4386 78 T 4.2587 7.3742 108.3892 59.4150 70.5903 173.2961 79 P 3.7608 0.0000 0.0000 62.4086 30.2596 175.1891 80 N 4.8464 7.9540 122.8991 51.4363 39.7416 174.8020 81 E 4.4320 8.5250 117.1517 57.2855 29.3397 176.8950 82 E 4.6401 8.4903 116.1705 56.1362 30.9715 177.3825 83 I 4.5711 7.5421 119.9354 61.0678 39.1328 175.9479 84 L 4.2330 7.5781 121.4288 54.4862 42.4394 176.1439 85 F 5.2471 9.0189 122.4018 55.6106 43.0929 174.6483 86 L 4.9332 9.3658 122.8245 53.5105 42.8806 175.7574 87 E 4.4011 9.0993 127.5477 55.3017 29.7656 175.5979 88 R 4.8201 8.6876 126.2881 53.9880 34.4129 174.7287 89 L 4.7737 8.5215 123.7852 54.6476 43.2747 175.6356 90 E 4.6711 8.9253 126.4433 54.9060 33.0798 175.4157 91 E 3.8439 9.4817 124.3861 57.8821 27.0547 174.2627 92 N 4.2675 8.6540 111.2722 54.3470 36.3696 174.0113 93 H 4.5835 8.0428 115.7873 57.7821 33.7760 173.6018 94 Y 4.5509 7.7410 115.6009 58.0241 39.7810 173.4523 95 N 5.4836 9.1673 118.1135 51.8908 41.3197 174.4540 96 T 5.2824 8.7729 112.7304 60.1103 72.8265 172.2044 97 Y 5.1643 8.6910 120.5878 56.3718 41.2681 174.3168 98 I 4.7558 8.5955 125.0259 58.9708 39.9353 175.1715 99 S 4.3275 9.0531 122.1784 58.8347 62.9956 174.9899 100 K 3.8338 8.5917 128.5636 59.4209 32.3555 178.6640 101 K 3.6968 7.9909 118.1118 59.3921 32.1932 176.8260 102 H 4.5293 7.8682 113.2761 55.3251 29.2211 176.2500 103 A 4.0463 8.2228 124.9535 54.6164 18.0323 180.8345 104 E 4.0366 8.1860 111.2140 58.6462 29.4241 177.7018 105 K 4.1013 7.9635 117.6326 55.4400 32.6523 175.7481 106 N 3.8626 8.0491 115.9191 53.9845 36.3907 175.6028 107 W 4.7734 7.7764 118.6503 55.5775 29.1564 176.9200 108 F 5.0487 8.7387 123.5809 56.4770 40.4336 175.0673 109 V 4.4574 8.4625 120.8812 61.6216 33.1991 175.1172 110 G 5.2616 8.5617 113.2387 44.9786 0.0000 171.0009 111 L 5.2639 8.1062 118.7183 52.5999 45.8240 177.2050 112 K 4.2225 8.9266 123.3564 55.6043 32.8225 178.3615 113 K 3.8891 8.4061 119.7555 59.4135 31.9495 178.0251 114 N 4.4797 8.0021 113.7442 53.1049 37.6845 175.8758 115 G 3.5021 8.2209 108.6028 45.4090 0.0000 173.4728 116 S 4.6694 7.3952 115.8168 56.8852 64.1903 173.5530 117 V 3.9997 8.2095 123.9856 63.3228 31.7680 174.9601 118 K 4.4308 8.3613 129.6691 55.1378 33.3506 176.5419 119 R 4.1247 8.4979 126.0489 56.0127 30.5383 177.6100 120 G 3.1961 8.6126 110.3918 47.7181 0.0000 174.3602 121 P 4.6399 0.0000 0.0000 65.1988 31.3261 178.4927 122 R 4.1243 7.0731 116.8205 57.8593 30.5140 177.4715 123 T 4.8490 7.5021 107.7420 61.2672 69.7537 173.3235 124 H 4.9549 8.3337 116.8945 54.5840 31.0446 172.5710 125 Y 3.9545 8.5245 118.2069 59.7505 38.1188 177.5245 126 G 4.0261 8.9777 110.1833 45.5607 0.0000 173.9300 127 Q 4.3128 7.3274 118.6651 54.9093 29.8626 177.0246 128 K 3.7463 8.2612 118.7950 58.6119 32.7708 179.4501 129 A 4.0476 8.0529 121.1244 53.7232 18.3870 178.4917 130 I 4.8518 7.1694 106.3285 60.5288 38.6991 175.5651 131 L 4.2142 7.2572 123.1407 54.5580 42.1702 176.0852 132 F 5.3201 9.2460 122.4886 55.6918 43.2622 174.8116 133 L 5.2007 9.2306 119.5966 52.7493 45.5648 174.5476 134 P 5.0430 0.0000 0.0000 62.5849 31.2526 175.0753 135 L 4.5924 9.1838 127.3031 52.9520 43.4305 174.7001 136 P 4.5179 0.0000 0.0000 62.6026 32.1272 176.8667 137 V 3.7200 8.3788 115.3310 61.9171 31.4455 176.1250 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 1B H 8.44 4.61 0.00 3.05 3.56 0.00 5.82 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.10 3.47 0.00 3.54 3.35 0.00 5.96 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.78 4.17 0.00 3.18 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.80 5.15 0.00 3.16 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.93 4.58 0.00 3.32 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.45 4.74 0.00 2.62 3.07 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 0.00 0.00 0.00 2 N 8.41 4.51 0.00 2.92 2.76 0.00 0.00 6.81 6.74 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 3 L 8.14 4.84 0.00 1.46 1.39 0.64 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.60 0.00 2.15 2.00 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 5 P 0.00 4.11 0.00 2.00 2.01 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 6 G 8.53 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 7 N 7.56 4.94 0.00 2.68 2.71 0.00 0.00 6.14 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 8 Y 7.57 4.88 0.00 3.02 3.07 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 0.00 0.00 0.00 9 K 7.46 3.87 0.00 1.74 1.75 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 10 K 7.48 4.57 0.00 1.73 1.73 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 11 P 0.00 4.73 0.00 2.05 2.05 0.00 3.71 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 1.98 1.96 0.00 12 V 9.38 4.75 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 0.91 0.00 0.00 1.06 0.00 0.00 13 L 9.07 4.97 0.00 1.60 1.63 0.49 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.66 5.05 0.00 1.68 1.81 0.42 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.36 4.91 0.00 3.38 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 16 C 8.19 3.99 0.00 2.16 2.32 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 17 S 7.85 3.64 0.00 3.83 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 18 N 7.36 4.16 0.00 2.65 2.61 0.00 0.00 7.22 7.98 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 19 G 8.40 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 20 G 7.31 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 0.00 0.00 0.00 21 H 7.55 4.80 0.00 3.00 3.17 0.00 5.79 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.56 5.39 0.00 3.08 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 23 L 8.83 4.38 0.00 1.77 1.62 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.54 4.65 0.00 1.91 2.03 0.00 3.25 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 25 I 8.03 4.81 1.87 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 1.20 0.73 0.92 0.00 0.00 26 L 8.97 4.12 0.00 1.87 1.52 0.92 0.87 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 27 P 0.00 4.37 0.00 2.03 2.14 0.00 3.54 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 28 D 8.10 4.69 0.00 2.78 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 29 G 8.18 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.42 4.53 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 1.22 0.00 0.00 31 V 7.93 5.02 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 0.88 0.00 0.00 0.95 0.00 0.00 32 D 8.57 4.50 0.00 2.70 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 33 G 8.80 4.54 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 0.00 0.00 0.00 34 T 8.56 4.95 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 1.38 0.00 0.00 35 R 8.89 4.04 0.00 1.85 1.96 0.00 3.19 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.41 0.00 36 D 8.10 4.66 0.00 2.85 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 37 R 8.69 3.76 0.00 1.84 1.85 0.00 3.37 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.84 0.00 38 S 8.16 4.24 0.00 3.97 3.98 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 39 D 7.62 4.32 0.00 2.93 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 40 Q 8.45 4.43 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 41 H 8.36 4.81 0.00 3.48 3.26 0.00 5.80 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.61 4.33 1.92 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.49 1.15 0.00 0.00 43 Q 7.83 4.18 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 44 L 8.99 5.13 0.00 1.60 1.45 0.94 0.81 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 45 Q 9.36 4.82 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 46 L 8.87 5.68 0.00 1.78 1.91 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.68 4.65 0.00 3.89 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 48 A 7.85 5.15 0.61 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 49 E 8.54 4.06 0.00 2.11 1.89 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 2.52 2.47 0.00 50 S 7.36 4.52 0.00 4.08 3.70 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 51 V 8.50 3.82 2.32 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 1.02 0.00 0.00 1.03 0.00 0.00 52 G 9.31 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 0.00 0.00 0.00 53 E 8.47 4.99 0.00 1.95 1.68 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 2.17 2.27 0.00 54 V 8.93 4.83 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 0.84 0.00 0.00 1.23 0.00 0.00 55 Y 8.97 5.26 0.00 2.88 2.85 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 0.00 0.00 0.00 0.00 56 I 8.57 4.30 1.72 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.77 0.70 0.00 0.00 57 K 8.44 4.82 0.00 1.21 1.37 0.00 1.36 0.00 0.00 0.86 0.00 0.00 2.23 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.12 1.08 7.81 58 S 8.38 4.83 0.00 3.95 3.76 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 59 T 8.51 3.82 4.21 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 0.00 0.00 0.00 1.22 0.00 0.00 60 E 7.89 4.17 0.00 1.91 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 2.22 2.24 0.00 61 T 7.76 3.99 4.27 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 1.29 0.00 0.00 62 G 8.01 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 63 Q 7.92 4.48 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 64 Y 9.19 4.71 0.00 2.86 2.94 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 65 L 9.15 4.42 0.00 1.66 1.54 0.81 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.77 5.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.51 5.40 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 68 D 9.36 5.56 0.00 3.04 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 69 T 8.54 4.36 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 1.34 0.00 0.00 70 D 8.34 4.58 0.00 2.82 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 71 G 8.21 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 0.00 0.00 0.00 72 L 7.82 4.95 0.00 1.63 1.58 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.37 5.36 0.00 1.56 1.60 0.86 0.88 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 74 Y 8.59 4.78 0.00 3.21 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 75 G 8.94 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 0.00 0.00 0.00 0.00 76 S 8.69 4.54 0.00 3.97 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 77 Q 9.05 4.19 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 78 T 7.37 4.26 4.15 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 1.18 0.00 0.00 79 P 0.00 3.76 0.00 1.80 1.10 0.00 3.54 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 80 N 7.95 4.85 0.00 2.83 2.88 0.00 0.00 6.32 7.66 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 81 E 8.52 4.43 0.00 1.96 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 2.31 0.00 82 E 8.49 4.64 0.00 2.20 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 2.24 2.29 0.00 83 I 7.54 4.57 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 1.38 0.00 0.00 84 L 7.58 4.23 0.00 1.45 1.41 0.92 0.40 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 85 F 9.02 5.25 0.00 3.01 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 86 L 9.37 4.93 0.00 1.55 1.62 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.10 4.40 0.00 2.18 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 2.13 1.84 0.00 88 R 8.69 4.82 0.00 1.75 1.78 0.00 3.14 0.00 0.00 2.95 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 89 L 8.52 4.77 0.00 1.58 1.58 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.93 4.67 0.00 2.25 1.87 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 2.26 2.40 0.00 91 E 9.48 3.84 0.00 2.43 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 0.00 2.28 2.39 0.00 92 N 8.65 4.27 0.00 2.84 2.88 0.00 0.00 6.83 8.16 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 93 H 8.04 4.58 0.00 2.88 2.83 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.74 4.55 0.00 3.06 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 95 N 9.17 5.48 0.00 2.88 2.54 0.00 0.00 6.93 6.34 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 96 T 8.77 5.28 4.53 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 1.38 0.00 0.00 97 Y 8.69 5.16 0.00 2.75 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 98 I 8.60 4.76 1.72 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.84 0.60 0.00 0.00 99 S 9.05 4.33 0.00 4.18 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 0.00 100 K 8.59 3.83 0.00 1.78 1.65 0.00 1.55 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.30 1.16 7.81 101 K 7.99 3.70 0.00 1.59 1.55 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.36 7.81 102 H 7.87 4.53 0.00 3.20 2.36 0.00 5.71 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 0.00 103 A 8.22 4.05 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 0.00 104 E 8.19 4.04 0.00 1.90 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 0.00 2.14 2.19 0.00 105 K 7.96 4.10 0.00 0.94 1.10 0.00 0.88 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 0.99 7.81 106 N 8.05 3.86 0.00 2.91 3.04 0.00 0.00 6.88 7.56 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 0.00 107 W 7.78 4.77 0.00 3.44 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 0.00 108 F 8.74 5.05 0.00 3.02 3.08 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 0.00 109 V 8.46 4.46 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 0.66 0.00 0.00 0.71 0.00 0.00 110 G 8.56 5.26 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 0.00 111 L 8.11 5.26 0.00 1.41 1.38 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.93 4.22 0.00 1.73 1.67 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.35 7.81 113 K 8.41 3.89 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 114 N 8.00 4.48 0.00 2.81 2.89 0.00 0.00 6.19 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.22 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 0.00 0.00 0.00 116 S 7.40 4.67 0.00 3.85 3.74 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 0.00 117 V 8.21 4.00 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 0.73 0.00 0.00 0.99 0.00 0.00 118 K 8.36 4.43 0.00 1.78 1.65 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.35 7.81 119 R 8.50 4.12 0.00 1.63 1.57 0.00 3.12 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 120 G 8.61 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 0.00 0.00 0.00 121 P 0.00 4.64 0.00 1.92 2.20 0.00 3.07 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 122 R 7.07 4.12 0.00 1.91 1.94 0.00 3.29 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 123 T 7.50 4.85 4.31 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 1.26 0.00 0.00 124 H 8.33 4.95 0.00 3.42 3.52 0.00 5.50 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.52 3.95 0.00 3.14 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 0.00 126 G 8.98 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 0.00 0.00 0.00 127 Q 7.33 4.31 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 128 K 8.26 3.75 0.00 1.64 1.66 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.26 7.81 129 A 8.05 4.05 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 0.00 130 I 7.17 4.85 1.85 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.63 0.77 0.00 0.00 131 L 7.26 4.21 0.00 0.92 0.41 0.29 0.73 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 0.00 132 F 9.25 5.32 0.00 3.38 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 0.00 133 L 9.23 5.20 0.00 2.10 1.79 1.11 1.59 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 0.00 134 P 0.00 5.04 0.00 2.13 2.22 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 135 L 9.18 4.59 0.00 1.67 1.65 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.52 0.00 1.92 1.99 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 137 V 8.38 3.72 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 0.63 0.00 0.00 0.99 0.00 0.00