NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6122 8.3644 120.2208 52.2855 43.2767 174.4885 5 V 4.2968 8.0755 117.1334 60.2037 34.3529 173.5480 6 L 3.9620 8.7583 128.5947 55.8495 43.8042 176.2329 7 V 4.3104 7.4772 116.6155 60.6519 34.0388 173.8629 8 K 4.5209 8.4946 128.1032 53.9463 33.4530 175.5001 9 W 4.1288 8.8762 135.0000 57.4640 31.2554 174.6969 10 S 4.7151 7.1695 118.2872 56.0419 66.0590 174.2046 11 E 3.9848 8.4628 119.6915 58.9581 29.5614 178.1485 12 D 4.4548 7.3554 117.5101 57.0399 40.8463 177.2526 13 L 4.0221 6.8362 116.0922 54.2497 41.7519 176.8763 14 A 4.6860 7.8356 123.0598 52.6897 19.4801 177.3842 15 N 4.8338 8.9553 119.6005 52.3082 41.8572 174.8597 16 L 4.2860 9.4335 117.8217 53.7516 43.7531 175.8014 17 P 4.2791 0.0000 0.0000 66.4948 30.9686 178.9749 18 S 4.1462 7.7920 113.3035 60.9099 62.7002 176.4836 19 I 3.8225 7.8431 122.9100 64.0835 36.9257 177.8110 20 D 4.4812 8.4778 120.5986 57.6012 40.5561 178.9007 21 T 3.7232 7.8093 110.2049 64.6823 68.5195 176.6908 22 Q 4.4534 7.5058 121.6978 58.6033 28.8146 178.0207 23 H 4.4035 8.3294 117.2877 59.0260 28.6925 178.0197 24 K 3.8183 8.1930 120.6589 59.3170 31.7935 179.3989 25 R 3.5743 7.6375 118.7993 59.1021 29.8867 178.5993 26 L 4.2354 8.2550 119.1480 57.9379 41.6852 179.6428 27 V 3.7413 8.2373 118.3968 66.1933 31.4681 177.7967 28 D 4.3771 8.4384 119.0027 57.5108 40.5588 178.4377 29 Y 4.4545 7.8070 117.3019 61.1296 37.8786 178.2905 30 I 3.8710 7.9993 120.8702 64.5929 37.1917 178.2762 31 N 4.5628 8.3829 117.3691 56.3362 38.3886 177.2846 32 D 4.4720 8.2433 120.5128 56.9597 40.8813 178.5478 33 L 4.0734 8.1674 121.2479 58.1053 42.0743 178.2549 34 Y 4.2197 8.2519 119.5647 60.8343 38.8052 177.9913 35 R 3.6435 8.1525 119.4167 59.3461 30.1246 178.3492 36 A 3.9850 7.8683 119.9563 54.9131 18.3261 179.5512 37 A 3.9152 7.9606 119.4302 55.3943 18.2834 180.1160 38 R 3.7554 7.8127 115.8422 59.0111 30.1502 178.6563 39 R 4.1645 7.6949 115.1534 55.5909 30.3674 176.6186 40 R 3.8049 7.6001 116.6457 57.3652 28.4464 177.2098 41 D 4.6811 7.6631 119.1793 52.8967 39.7900 175.5331 42 M 4.0872 8.1846 124.8963 57.8836 32.2486 177.6623 43 D 4.3451 8.1043 118.7904 57.1436 41.0253 178.4188 44 K 3.9475 8.4792 119.9509 59.2800 32.2008 178.6516 45 A 4.0178 8.1025 120.9729 55.4672 18.3888 179.7972 46 R 3.9785 8.1066 116.4789 59.3096 30.1887 179.0097 47 E 3.9196 8.3381 119.0901 59.2663 29.7123 179.1279 48 V 3.5709 8.1914 118.6584 65.9299 31.5684 177.4674 49 F 3.9438 8.7975 120.8065 61.4724 39.0568 176.5483 50 D 4.2970 8.2965 117.1677 57.3413 41.0586 178.0806 51 A 3.7570 7.5936 120.6988 54.8541 18.2545 179.2894 52 L 3.1962 7.7852 119.0344 57.8483 42.1149 179.0546 53 K 3.5999 7.6847 119.6928 59.6146 32.2364 178.4606 54 N 4.2567 8.1190 116.8217 56.4944 38.5316 176.8657 55 Y 3.9991 8.0606 120.7196 60.2430 38.8652 177.6484 56 A 3.6863 8.0937 122.0354 55.0810 18.4849 179.5792 57 V 3.4930 7.3786 116.6145 66.4215 31.5023 178.1372 58 E 3.9322 7.8123 117.7764 59.2696 29.2123 178.8515 59 H 3.9900 7.9856 118.8413 59.1619 29.8511 177.2090 60 F 4.4519 8.4414 120.1548 60.7773 38.7546 177.9433 61 G 3.6053 8.3390 105.2451 47.8599 0.0000 175.1839 62 Y 4.0245 7.9254 121.8376 60.4334 38.8383 177.7837 63 E 3.3709 8.1841 119.5051 59.3493 29.5530 179.2945 64 E 3.3559 7.9618 118.6491 59.0002 29.3283 179.4427 65 R 3.8634 7.6236 118.9903 59.1480 30.0928 178.5736 66 L 4.0079 7.2840 118.9600 57.6085 41.4444 179.3373 67 F 4.5413 7.8679 117.6162 60.6187 38.9706 177.5529 68 A 4.0330 8.1727 120.2742 55.4311 18.0938 179.1739 69 D 4.2394 8.0785 116.1974 57.1567 40.9456 178.1012 70 Y 4.5025 8.0109 113.2638 56.2993 39.0410 175.4407 71 A 3.7797 8.0367 121.1758 52.9699 16.8692 178.2340 72 Y 3.6506 8.3677 122.5915 57.7076 39.3907 175.1596 73 P 4.0229 0.0000 0.0000 65.0132 31.7895 176.8872 74 E 4.1487 5.9000 115.5591 55.8593 29.8570 177.2193 75 A 3.7663 7.5424 124.6160 55.7090 18.2322 180.7804 76 T 3.7828 7.6878 113.3153 67.0181 68.7257 177.0279 77 R 3.9474 7.8218 119.4054 59.5211 30.1458 178.5220 78 H 4.1974 8.2599 118.1105 58.9626 29.7711 177.2746 79 K 3.9995 8.2059 121.6982 59.5262 31.9971 178.4681 80 E 3.9588 8.1348 119.1379 59.2636 29.6147 178.8983 81 I 3.8402 7.7326 120.0021 64.5660 37.1851 178.1386 82 H 3.7836 8.1718 117.1372 58.6466 28.4329 177.6968 83 R 3.9330 8.1677 120.6074 59.7049 29.9121 178.7825 84 R 3.9234 8.2824 117.9332 59.1839 29.9949 178.8638 85 F 3.8622 8.1088 120.3035 60.9236 39.1198 177.3639 86 V 3.2937 7.8471 117.9388 65.9197 31.3268 177.7812 87 E 3.8293 7.7900 117.8328 59.8256 29.4352 179.5108 88 T 3.4093 7.4253 115.5626 66.3555 68.3389 176.9028 89 V 3.4182 7.1965 120.5049 65.7845 31.2678 178.0916 90 L 4.0575 7.7888 118.1829 57.5726 41.5575 179.1407 91 K 4.0453 7.8566 119.6401 59.3535 32.0226 178.9883 92 W 4.4059 7.8960 118.8587 59.7055 28.3722 178.0315 93 E 3.4272 8.2974 119.4348 59.1193 28.8890 179.1162 94 K 4.0503 7.8944 118.6577 59.4057 31.7460 179.3803 95 Q 3.9992 7.8921 118.5764 58.8072 28.1850 178.6314 96 L 3.7371 7.5759 118.5358 57.0163 41.3036 179.1453 97 A 3.9079 7.5341 121.6380 54.5001 18.3728 178.0983 98 A 4.6155 7.5419 114.8877 51.7532 19.5115 176.2392 99 G 3.9282 7.4042 107.1172 45.3592 0.0000 172.8155 100 D 4.9790 7.9691 118.0590 50.0541 42.3614 175.1729 101 P 4.1817 0.0000 0.0000 65.9858 31.1274 178.5883 102 E 3.9060 8.0126 117.0077 59.4795 29.4999 179.4012 103 V 3.5491 8.0332 118.1620 66.1030 31.4752 178.1081 104 V 3.5193 7.7159 117.3294 66.3388 31.4307 177.7622 105 M 4.1683 7.9776 118.4186 58.7115 31.6351 178.9074 106 T 3.9216 7.8189 115.5014 66.5006 68.4598 177.1931 107 T 3.0266 7.4992 117.6975 66.3525 68.5168 176.5978 108 L 3.9011 8.0726 121.2549 58.2064 41.6748 180.0250 109 R 4.3108 7.9970 117.5550 58.7558 29.9592 179.3929 110 G 3.5797 7.5241 106.1036 47.5361 0.0000 175.9507 111 L 4.5381 8.4053 122.0341 57.6845 41.7244 179.7203 112 V 3.6691 8.4066 118.4564 66.1663 31.3347 177.6252 113 D 4.4176 8.1558 118.5641 57.2040 40.7003 178.8192 114 W 3.9628 8.4052 128.5322 60.2815 30.7646 177.5922 115 L 3.9744 8.4930 120.5770 58.3300 41.5904 178.9417 116 V 3.4646 7.8438 117.9277 66.0528 31.4351 177.4774 117 N 4.1110 7.6644 116.5835 56.8797 38.7792 176.2597 118 H 3.6028 7.8509 119.9404 58.9608 29.6016 177.3055 119 I 3.7416 7.6073 121.5174 64.8727 36.7891 178.4714 120 M 3.9605 7.7047 117.8541 57.2786 31.8009 177.9341 121 K 4.1466 8.1033 118.8445 57.9203 32.9861 177.5532 122 E 4.1933 7.3306 117.4977 58.7340 30.2546 178.2042 123 D 4.2811 8.1660 119.2459 56.9360 40.8015 178.5511 124 K 3.6439 7.5209 120.4024 59.4919 31.8664 178.7899 125 K 3.9820 7.3859 116.6694 58.9851 32.2225 177.7546 126 Y 4.5971 7.3632 116.1802 57.2952 37.9851 177.1169 127 E 4.0211 7.8386 122.2468 59.6900 29.8785 178.3884 128 A 4.0458 8.0314 120.1154 55.2782 18.2783 178.7363 129 Y 3.9772 8.0824 116.5185 60.9791 39.3231 177.9239 130 L 3.9873 8.3956 119.9552 57.6576 41.8092 179.5248 131 R 3.9023 8.3248 118.4379 59.2933 29.7944 178.6915 132 E 4.0412 7.9811 117.6566 58.2254 29.5255 177.9838 133 R 4.5830 7.4532 116.7025 55.5459 30.8458 176.8037 134 G 3.8774 7.7600 105.4012 45.8659 0.0000 174.6497 135 V 3.6716 7.3848 119.1728 62.2955 32.0217 176.0954 136 S 4.3111 8.4753 119.7911 58.5169 63.0663 173.6731 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 4 D 8.36 4.61 0.00 2.72 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 5 V 8.08 4.30 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 0.90 0.00 0.00 0.98 0.00 0.00 6 L 8.76 3.96 0.00 1.20 1.49 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.48 4.31 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 0.92 0.00 0.00 8 K 8.49 4.52 0.00 1.74 1.69 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.52 7.81 9 W 8.88 4.13 0.00 3.47 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 10 S 7.17 4.72 0.00 3.86 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 11 E 8.46 3.98 0.00 2.06 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 2.39 2.40 0.00 12 D 7.36 4.45 0.00 2.52 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 13 L 6.84 4.02 0.00 0.27 0.74 0.40 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.84 4.69 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 15 N 8.96 4.83 0.00 2.76 2.77 0.00 0.00 7.18 8.17 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 16 L 9.43 4.29 0.00 1.81 1.82 1.01 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.28 0.00 2.27 2.34 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 18 S 7.79 4.15 0.00 4.16 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 19 I 7.84 3.82 2.21 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.11 1.09 0.00 0.00 20 D 8.48 4.48 0.00 2.98 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 21 T 7.81 3.72 4.14 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 1.22 0.00 0.00 22 Q 7.51 4.45 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 23 H 8.33 4.40 0.00 3.49 3.84 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.19 3.82 0.00 1.57 1.50 0.00 1.07 0.00 0.00 1.00 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 25 R 7.64 3.57 0.00 1.75 1.82 0.00 2.77 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 26 L 8.26 4.24 0.00 2.15 1.92 1.13 1.32 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 27 V 8.24 3.74 2.40 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 1.17 0.00 0.00 1.27 0.00 0.00 28 D 8.44 4.38 0.00 2.60 2.48 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 0.00 29 Y 7.81 4.45 0.00 3.27 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.00 3.87 2.15 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 1.65 1.16 0.98 0.00 0.00 31 N 8.38 4.56 0.00 3.01 2.94 0.00 0.00 7.02 8.24 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 32 D 8.24 4.47 0.00 2.99 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.17 4.07 0.00 2.00 1.98 1.07 0.97 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 34 Y 8.25 4.22 0.00 3.09 3.15 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 0.00 35 R 8.15 3.64 0.00 1.94 2.07 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 36 A 7.87 3.99 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 37 A 7.96 3.92 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 38 R 7.81 3.76 0.00 1.63 1.81 0.00 3.15 0.00 0.00 2.97 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.90 0.00 39 R 7.69 4.16 0.00 1.97 1.93 0.00 3.28 0.00 0.00 3.20 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 R 7.60 3.80 0.00 1.94 1.98 0.00 3.28 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 41 D 7.66 4.68 0.00 2.74 2.54 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 42 M 8.18 4.09 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.57 0.00 43 D 8.10 4.35 0.00 2.85 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 44 K 8.48 3.95 0.00 2.15 2.02 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 45 A 8.10 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.11 3.98 0.00 1.89 2.02 0.00 3.12 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 47 E 8.34 3.92 0.00 2.16 2.15 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 2.33 2.33 0.00 48 V 8.19 3.57 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.04 0.00 0.00 49 F 8.80 3.94 0.00 3.24 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 50 D 8.30 4.30 0.00 2.97 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 51 A 7.59 3.76 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 52 L 7.79 3.20 0.00 1.45 1.47 0.91 0.54 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 53 K 7.68 3.60 0.00 1.39 1.73 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.30 7.81 54 N 8.12 4.26 0.00 2.70 2.82 0.00 0.00 6.74 7.87 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 55 Y 8.06 4.00 0.00 3.17 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 56 A 8.09 3.69 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.38 3.49 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 1.02 0.00 0.00 0.95 0.00 0.00 58 E 7.81 3.93 0.00 1.89 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 2.27 2.48 0.00 59 H 7.99 3.99 0.00 2.86 3.27 0.00 5.79 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 60 F 8.44 4.45 0.00 3.18 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 61 G 8.34 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 0.00 0.00 0.00 62 Y 7.93 4.02 0.00 3.00 3.06 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 63 E 8.18 3.37 0.00 2.10 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 2.03 2.35 0.00 64 E 7.96 3.36 0.00 2.11 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 2.42 2.22 0.00 65 R 7.62 3.86 0.00 1.93 1.87 0.00 3.09 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 66 L 7.28 4.01 0.00 1.51 1.53 0.59 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.87 4.54 0.00 3.25 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 68 A 8.17 4.03 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 69 D 8.08 4.24 0.00 2.60 2.23 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.50 0.00 3.27 3.19 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 71 A 8.04 3.78 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 3.65 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.02 0.00 1.63 1.87 0.00 2.68 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 74 E 5.90 4.15 0.00 1.16 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 1.83 1.99 0.00 75 A 7.54 3.77 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.69 3.78 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 1.20 0.00 0.00 77 R 7.82 3.95 0.00 1.80 1.95 0.00 3.36 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 1.69 1.64 0.00 78 H 8.26 4.20 0.00 3.39 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.21 4.00 0.00 2.22 2.00 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.83 7.81 80 E 8.13 3.96 0.00 2.15 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 0.00 2.32 2.42 0.00 81 I 7.73 3.84 2.09 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 1.60 1.19 1.19 0.00 0.00 82 H 8.17 3.78 0.00 3.19 2.63 0.00 5.65 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 83 R 8.17 3.93 0.00 2.08 2.07 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 84 R 8.28 3.92 0.00 2.09 1.99 0.00 3.24 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 85 F 8.11 3.86 0.00 2.29 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 86 V 7.85 3.29 2.20 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 1.02 0.00 0.00 1.24 0.00 0.00 87 E 7.79 3.83 0.00 2.10 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 2.27 2.48 0.00 88 T 7.43 3.41 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 89 V 7.20 3.42 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 0.95 0.00 0.00 -0.10 0.00 0.00 90 L 7.79 4.06 0.00 1.72 1.68 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.86 4.05 0.00 1.69 1.71 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 92 W 7.90 4.41 0.00 3.77 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.30 3.43 0.00 2.46 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 0.00 2.33 2.37 0.00 94 K 7.89 4.05 0.00 1.91 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.66 7.81 95 Q 7.89 4.00 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 96 L 7.58 3.74 0.00 1.66 1.56 0.13 0.58 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 97 A 7.53 3.91 1.29 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 0.00 0.00 0.00 98 A 7.54 4.62 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 99 G 7.40 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 0.00 100 D 7.97 4.98 0.00 2.86 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 0.00 101 P 0.00 4.18 0.00 2.15 2.37 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 102 E 8.01 3.91 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 103 V 8.03 3.55 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 0.92 0.00 0.00 0.97 0.00 0.00 104 V 7.72 3.52 2.26 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 1.09 0.00 0.00 0.89 0.00 0.00 105 M 7.98 4.17 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.00 0.00 106 T 7.82 3.92 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 1.18 0.00 0.00 107 T 7.50 3.03 4.20 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 0.71 0.00 0.00 108 L 8.07 3.90 0.00 1.88 1.74 1.13 0.98 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 0.00 109 R 8.00 4.31 0.00 1.85 1.97 0.00 3.11 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 110 G 7.52 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 0.00 111 L 8.41 4.54 0.00 1.95 1.97 1.08 1.52 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 0.00 112 V 8.41 3.67 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 1.04 0.00 0.00 0.97 0.00 0.00 113 D 8.16 4.42 0.00 3.21 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 0.00 114 W 8.41 3.96 0.00 3.68 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 3.97 0.00 2.20 1.79 1.25 1.35 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 0.00 116 V 7.84 3.46 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 0.84 0.00 0.00 0.88 0.00 0.00 117 N 7.66 4.11 0.00 2.77 2.74 0.00 0.00 6.90 7.78 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 0.00 118 H 7.85 3.60 0.00 1.41 2.57 0.00 5.84 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 0.00 119 I 7.61 3.74 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.80 0.00 0.00 120 M 7.70 3.96 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 121 K 8.10 4.15 0.00 1.57 1.84 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.36 7.81 122 E 7.33 4.19 0.00 1.53 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 2.08 2.14 0.00 123 D 8.17 4.28 0.00 2.77 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 0.00 124 K 7.52 3.64 0.00 1.90 1.69 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.46 7.81 125 K 7.39 3.98 0.00 2.02 1.96 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.60 7.81 126 Y 7.36 4.60 0.00 2.63 2.40 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 0.00 127 E 7.84 4.02 0.00 2.12 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 2.34 2.39 0.00 128 A 8.03 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.08 3.98 0.00 3.15 3.37 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 0.00 130 L 8.40 3.99 0.00 1.79 1.53 0.71 0.73 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 0.00 131 R 8.32 3.90 0.00 1.90 1.98 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 132 E 7.98 4.04 0.00 2.01 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 2.24 2.31 0.00 133 R 7.45 4.58 0.00 1.70 2.00 0.00 2.81 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.37 0.00 134 G 7.76 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 0.00 0.00 0.00 135 V 7.38 3.67 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 0.70 0.00 0.00 -0.02 0.00 0.00 136 S 8.48 4.31 0.00 4.00 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