NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3694 8.3001 118.1945 55.1052 31.5256 173.6032 2 A 4.4026 7.8351 126.2019 48.7036 19.8226 173.8889 3 R 4.7278 8.9161 117.4315 54.5696 33.5884 173.7923 4 E 4.7720 8.5333 118.6579 55.0097 31.9426 175.6084 5 V 4.3509 8.4820 122.7499 60.9593 34.1326 174.7522 6 K 4.8587 8.6369 128.1063 56.4332 33.4211 176.1933 7 L 5.3396 8.7983 122.7874 53.2840 46.7626 176.1210 8 T 4.6328 8.3666 112.2312 60.4404 70.6236 175.6786 9 K 3.9007 8.7027 121.6233 59.6707 32.0217 178.2480 10 A 4.1602 8.1557 120.6437 55.2868 18.2482 179.6907 11 G 3.5764 8.1651 104.1728 47.9592 0.0000 175.3931 12 Y 3.9218 8.3337 122.1890 60.5489 38.9092 177.6448 13 E 4.0089 8.8292 120.6896 59.2206 29.6017 178.7749 14 R 3.8899 8.2418 119.0656 59.3507 30.0684 178.5572 15 L 3.9135 7.6838 118.5174 57.7277 41.4858 179.3399 16 M 3.8594 7.8445 118.7205 58.3560 31.9306 178.3618 17 Q 3.9121 8.0581 119.6171 59.4013 29.1787 178.2811 18 Q 3.9284 8.1279 120.4866 59.1239 29.0488 178.0913 19 L 3.9080 8.1403 121.7589 57.8909 42.1051 178.5062 20 E 3.8683 8.3309 119.4475 59.2211 29.6242 178.4213 21 R 3.8304 7.9882 118.6538 59.9249 30.1163 178.2620 22 E 3.9976 8.1453 117.9042 59.3078 29.4015 179.6809 23 R 3.9137 8.0230 118.2081 59.2690 30.1521 178.8465 24 E 3.9669 8.0914 118.2315 59.6537 29.4852 179.7589 25 R 3.9802 8.0892 117.8050 58.9219 30.0162 178.9705 26 L 3.9539 7.9605 120.5281 58.0320 42.0909 178.6407 27 Q 3.9259 8.1275 118.0185 59.0054 28.6360 178.1581 28 E 3.8513 8.1430 119.7143 59.7993 29.6936 179.1069 29 A 4.0134 8.1998 120.2588 55.2063 18.4014 179.9008 30 T 3.7695 8.2722 114.7934 66.7870 68.7765 176.9265 31 K 3.9546 8.5802 121.8254 59.5030 32.1854 178.8195 32 I 3.7006 8.1220 120.4999 64.4081 36.8525 178.2443 33 L 4.0445 7.6999 119.9392 57.8599 42.2115 178.6525 34 Q 4.1441 7.9804 117.5837 59.2396 28.5635 178.1454 35 E 4.1334 8.1857 119.7500 58.1425 29.3355 177.7942 36 L 4.4451 7.6175 118.4439 55.6795 42.1549 177.1935 37 M 4.3870 7.5470 117.6901 57.8113 32.9381 177.3181 38 E 4.2759 8.0906 115.4396 58.8431 31.8500 178.6339 39 S 4.5326 7.7190 114.0674 57.9582 61.7669 178.1392 40 S 4.3479 9.0182 113.4495 57.7624 60.7145 172.7722 41 D 4.4570 8.5588 128.2927 57.8127 41.1150 175.6855 42 D 4.1803 7.9538 118.1145 54.8471 40.5578 174.6939 43 Y 4.6236 8.0088 124.5448 57.2838 38.4261 175.5740 44 D 5.0003 7.8195 119.6767 53.8277 40.2039 175.5746 45 D 4.9352 7.7128 119.8778 52.0942 40.7740 177.3953 46 S 4.1757 8.8340 116.8630 61.1291 63.2729 176.8565 47 G 3.4472 8.1184 108.0639 47.6535 0.0000 175.6331 48 L 3.9733 7.9589 123.2402 57.7770 42.2410 178.9912 49 E 4.1606 8.2199 117.4949 58.8645 29.1999 178.6415 50 A 4.1587 7.5188 120.2045 54.1757 18.8278 179.3118 51 A 3.9985 8.0584 119.8157 54.7238 18.5994 179.6152 52 K 3.7911 8.4629 118.6832 59.8809 32.3604 178.8969 53 Q 3.9518 8.0066 119.5152 58.8801 28.8241 177.9439 54 E 3.8605 7.8715 120.3876 59.0669 29.7491 178.6578 55 K 3.8434 7.9216 119.1174 59.4898 32.3031 178.2801 56 A 4.8772 7.9527 122.3199 54.6773 18.3322 179.3915 57 R 3.8075 8.3638 117.2246 59.8285 30.1979 178.6960 58 I 3.6918 7.9172 119.5163 64.4467 36.9949 178.1508 59 E 3.9285 8.7072 119.4424 59.3500 29.2430 179.3931 60 A 3.9431 8.0947 120.5471 55.4079 18.5496 179.9984 61 R 3.9407 7.8704 116.2022 59.1685 30.0018 179.5934 62 I 3.6936 7.5974 119.7370 64.4417 37.2098 178.0446 63 D 4.3502 8.3148 120.0084 57.3918 40.6173 178.9516 64 S 4.0764 8.4015 115.9833 61.7520 62.8892 176.7431 65 L 3.9419 7.7813 121.3855 58.0432 41.3696 179.5933 66 E 4.0055 8.2701 118.2260 58.8501 29.0829 178.9900 67 D 4.2538 7.7165 117.8069 57.4690 41.6993 177.9916 68 I 3.8632 7.8211 120.3100 64.4587 37.2479 178.5652 69 L 4.1447 8.1325 119.9886 57.4907 41.1796 179.4438 70 S 4.4187 8.0257 113.4976 60.0711 63.1240 174.8973 71 R 4.7147 7.6118 118.3714 55.6758 30.6535 175.3990 72 A 4.5723 7.9175 121.5927 52.6607 19.3276 178.2919 73 V 4.2097 8.7161 121.5452 60.7709 34.2683 174.6130 74 I 4.4053 8.2450 129.5599 61.2758 37.3014 176.3672 75 L 4.4892 8.6137 128.0805 53.6390 42.5369 177.1204 76 E 4.0652 8.6681 119.2412 56.3111 29.5207 176.2745 77 E 3.9236 8.2618 119.6356 59.8160 30.2023 178.7841 78 G 3.8845 7.5703 111.5629 44.6292 0.0000 171.8695 79 S 4.5972 7.5056 116.5052 56.6252 66.2348 174.5203 80 G 3.7638 8.3877 111.3745 46.0602 0.0000 172.4116 81 E 4.3841 8.3751 117.4038 55.5741 30.7948 175.5828 82 V 4.6328 7.8384 119.0622 61.2074 34.4297 174.7775 83 I 4.1048 8.8837 127.2955 61.1722 38.5038 175.5793 84 G 4.2131 8.7228 113.3745 44.6419 0.0000 171.4264 85 L 4.4271 8.5205 119.4319 56.2691 41.9421 178.1501 86 G 4.0071 9.6285 112.2063 45.4772 0.0000 174.0417 87 S 5.0981 7.9264 116.8395 58.0656 64.4153 173.3265 88 V 4.6429 8.4381 123.9396 61.5545 33.4097 174.4901 89 V 4.8388 9.0310 127.6581 61.0644 34.8862 173.4247 90 E 5.0430 8.9172 128.8423 54.7737 31.4374 174.4449 91 L 5.4813 9.6528 127.6229 52.9286 45.4644 174.9625 92 E 5.0526 8.9815 122.8840 54.5831 33.0454 174.4882 93 D 4.3248 9.4466 127.4381 52.7367 40.7400 175.8387 94 P 4.0408 0.0000 0.0000 65.3058 31.4304 177.7311 95 L 4.0435 7.3176 117.2623 57.6657 41.8717 178.4518 96 S 4.1313 9.0409 114.6588 58.8877 63.4714 175.2193 97 G 3.8510 8.7478 109.3536 46.0456 0.0000 173.1573 98 E 4.0633 8.0626 121.8441 56.0777 30.5014 175.6487 99 R 5.1185 8.5699 127.0876 55.0063 32.0910 175.0005 100 L 4.7837 9.3140 126.9327 53.6278 45.9720 174.3535 101 S 5.3175 8.7393 120.2005 56.6186 64.9487 172.9570 102 V 4.6836 8.6788 125.2563 61.5109 35.7120 172.8712 103 Q 5.0171 9.1463 126.0872 54.1847 31.9766 174.3110 104 V 4.4672 8.4986 126.9976 62.7132 32.9691 175.3158 105 V 4.9594 8.5542 120.7095 60.0373 36.5883 174.5563 106 S 4.4581 8.4051 113.8340 57.7195 62.8053 173.3029 107 P 4.0118 0.0000 0.0000 65.9095 31.1128 177.9480 108 A 4.3392 7.8985 117.3594 53.2067 18.7456 177.3650 109 E 4.3127 8.6324 114.9576 56.1915 30.4866 176.4764 110 A 4.0968 7.2022 121.2103 52.5784 18.8343 176.7756 111 N 4.7297 8.7879 121.8253 52.6659 41.4850 175.5435 112 V 3.8449 8.4437 119.5184 63.2680 31.8967 177.0993 113 L 4.2916 8.1845 119.2760 56.0065 42.0607 177.0441 114 D 4.6308 7.8727 117.8404 53.6637 42.4638 176.7636 115 T 3.6385 8.8555 109.2153 64.7029 67.4236 173.4451 116 P 4.4506 0.0000 0.0000 61.7262 32.6879 176.8696 117 M 3.9057 8.6521 124.2873 55.5713 33.5947 175.7634 118 K 4.9162 8.7925 121.8428 55.2606 34.0934 175.4785 119 I 4.6402 9.0621 127.6050 59.1766 39.6326 175.4787 120 S 4.2894 8.7108 120.6627 59.1013 62.8121 174.5562 121 D 4.4368 8.6313 124.6316 56.1324 41.6864 176.7395 122 A 4.6649 7.6331 120.0756 52.0352 19.5810 177.3181 123 S 4.6759 7.6719 114.2710 58.2360 66.2704 171.8279 124 P 4.1778 0.0000 0.0000 66.5705 31.1317 178.3666 125 M 4.0587 8.0396 116.0395 58.6510 32.1828 178.6861 126 G 3.6029 8.0676 107.1554 47.1617 0.0000 175.1818 127 K 3.8058 8.4474 121.2733 59.2183 32.2361 177.8471 128 A 4.1181 7.8128 120.0632 55.4812 18.5822 179.4615 129 L 3.9766 7.7589 116.4456 56.6829 41.8678 177.4416 130 L 4.1486 7.1733 118.8206 57.1605 42.1668 177.3257 131 G 3.9289 9.2750 114.6238 45.5526 0.0000 172.7600 132 H 4.7233 8.1250 117.0696 54.4334 30.7907 173.6231 133 R 4.9089 8.7861 118.8273 54.0203 34.0978 175.0457 134 V 3.9366 8.2194 118.3375 64.9822 32.1123 174.0551 135 G 4.3890 9.2285 115.4197 45.6354 0.0000 173.7892 136 D 4.9003 8.0334 118.7030 54.3423 42.3015 175.9551 137 V 4.8898 8.2722 119.3988 61.2313 34.3347 174.5327 138 L 4.8622 9.3804 127.4037 52.9562 45.0209 175.2129 139 S 5.0687 8.6511 117.4796 57.2052 63.6699 173.0810 140 L 4.8548 9.3184 126.7661 52.4267 45.1901 175.7445 141 D 4.4215 8.9114 122.7114 55.1389 41.5339 175.7413 142 T 4.7587 8.2041 121.2940 61.1172 72.5484 173.1354 143 P 4.2932 0.0000 0.0000 65.3900 31.6035 178.0065 144 K 4.1262 8.1299 116.2471 57.5454 33.1385 177.3916 145 G 4.3409 7.2029 113.2446 44.7078 0.0000 171.3312 146 R 4.0748 8.7100 125.8801 57.4118 30.5068 175.5413 147 R 4.6150 8.6210 127.2503 54.9205 33.0335 174.2417 148 E 5.3012 8.4505 120.9672 54.5990 31.8110 175.6721 149 F 4.9811 9.8631 122.7436 55.6586 42.8204 174.1909 150 R 4.9652 8.8533 122.1434 54.5568 32.8224 175.4001 151 V 3.9973 8.6251 126.4772 62.6414 31.4040 176.4733 152 V 3.7817 8.6633 129.6217 65.4381 32.2335 175.8569 153 A 4.2630 7.1881 118.7581 51.5910 22.1376 175.3931 154 I 5.4240 8.1141 120.2337 58.3676 36.5854 174.9849 155 H 4.2962 8.5759 122.8703 58.4233 29.9173 175.3950 156 G 3.8310 8.0477 109.6340 46.3473 0.0000 173.9938 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 4.37 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 2 A 7.84 4.40 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 3 R 8.92 4.73 0.00 1.88 1.87 0.00 3.02 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 4 E 8.53 4.77 0.00 1.87 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 2.24 2.29 0.00 5 V 8.48 4.35 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 0.94 0.00 0.00 6 K 8.64 4.86 0.00 1.82 1.73 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.54 1.54 7.81 7 L 8.80 5.34 0.00 1.67 1.59 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.37 4.63 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 1.30 0.00 0.00 9 K 8.70 3.90 0.00 1.84 1.87 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.52 7.81 10 A 8.16 4.16 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 11 G 8.17 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 12 Y 8.33 3.92 0.00 3.10 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 13 E 8.83 4.01 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 2.33 2.37 0.00 14 R 8.24 3.89 0.00 1.93 2.06 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 15 L 7.68 3.91 0.00 1.59 1.51 0.85 1.27 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 16 M 7.84 3.86 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.20 0.00 17 Q 8.06 3.91 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 18 Q 8.13 3.93 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.37 0.00 19 L 8.14 3.91 0.00 1.70 1.78 0.95 0.76 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 20 E 8.33 3.87 0.00 2.10 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 0.00 2.30 2.35 0.00 21 R 7.99 3.83 0.00 2.03 2.11 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 22 E 8.15 4.00 0.00 2.14 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 2.30 2.47 0.00 23 R 8.02 3.91 0.00 1.98 1.97 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 24 E 8.09 3.97 0.00 2.20 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 2.49 2.49 0.00 25 R 8.09 3.98 0.00 2.01 1.97 0.00 3.11 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 26 L 7.96 3.95 0.00 1.85 1.90 0.91 0.60 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 27 Q 8.13 3.93 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 28 E 8.14 3.85 0.00 2.09 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 2.31 2.40 0.00 29 A 8.20 4.01 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 30 T 8.27 3.77 4.40 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 1.21 0.00 0.00 31 K 8.58 3.95 0.00 1.76 1.80 0.00 1.64 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 1.44 1.48 7.81 32 I 8.12 3.70 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.98 0.91 0.00 0.00 33 L 7.70 4.04 0.00 1.72 1.69 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.98 4.14 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.75 0.00 35 E 8.19 4.13 0.00 2.08 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 2.33 2.47 0.00 36 L 7.62 4.45 0.00 1.83 1.79 0.93 0.74 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 37 M 7.55 4.39 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.56 0.00 38 E 8.09 4.28 0.00 2.08 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 2.51 2.36 0.00 39 S 7.72 4.53 0.00 3.96 3.35 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 40 S 9.02 4.35 0.00 4.01 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 41 D 8.56 4.46 0.00 2.64 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 42 D 7.95 4.18 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.01 4.62 0.00 3.08 3.17 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 44 D 7.82 5.00 0.00 2.87 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 45 D 7.71 4.94 0.00 2.80 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 46 S 8.83 4.18 0.00 4.03 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 0.00 47 G 8.12 3.45 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 0.00 48 L 7.96 3.97 0.00 1.83 1.87 1.13 0.82 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 49 E 8.22 4.16 0.00 2.01 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 2.64 2.33 0.00 50 A 7.52 4.16 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 51 A 8.06 4.00 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 52 K 8.46 3.79 0.00 1.77 1.95 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.54 7.81 53 Q 8.01 3.95 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 54 E 7.87 3.86 0.00 2.23 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 2.30 2.35 0.00 55 K 7.92 3.84 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.45 7.81 56 A 7.95 4.88 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 57 R 8.36 3.81 0.00 1.96 2.12 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 58 I 7.92 3.69 1.98 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 1.51 1.07 1.01 0.00 0.00 59 E 8.71 3.93 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 2.32 2.52 0.00 60 A 8.09 3.94 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 61 R 7.87 3.94 0.00 1.88 1.96 0.00 3.09 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 62 I 7.60 3.69 2.02 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 1.50 0.82 0.89 0.00 0.00 63 D 8.31 4.35 0.00 2.65 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 64 S 8.40 4.08 0.00 3.93 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 65 L 7.78 3.94 0.00 1.86 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.27 4.01 0.00 2.01 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 2.30 2.59 0.00 67 D 7.72 4.25 0.00 2.71 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 68 I 7.82 3.86 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.90 0.00 0.00 69 L 8.13 4.14 0.00 1.67 1.73 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.03 4.42 0.00 4.06 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 71 R 7.61 4.71 0.00 2.04 2.15 0.00 2.78 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 72 A 7.92 4.57 1.57 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 73 V 8.72 4.21 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 0.97 0.00 0.00 1.04 0.00 0.00 74 I 8.25 4.41 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.45 0.87 0.00 0.00 75 L 8.61 4.49 0.00 1.54 1.60 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.67 4.07 0.00 2.07 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 2.28 2.28 0.00 77 E 8.26 3.92 0.00 1.97 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 2.31 2.31 0.00 78 G 7.57 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 79 S 7.51 4.60 0.00 3.82 3.80 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 80 G 8.39 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 0.00 0.00 0.00 81 E 8.38 4.38 0.00 1.97 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 2.29 2.24 0.00 82 V 7.84 4.63 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 0.88 0.00 0.00 0.93 0.00 0.00 83 I 8.88 4.10 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.91 0.00 0.00 84 G 8.72 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 0.00 0.00 0.00 0.00 85 L 8.52 4.43 0.00 1.65 1.62 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 G 9.63 4.01 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 0.00 0.00 0.00 87 S 7.93 5.10 0.00 3.99 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 88 V 8.44 4.64 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 0.98 0.00 0.00 0.96 0.00 0.00 89 V 9.03 4.84 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 0.94 0.00 0.00 0.92 0.00 0.00 90 E 8.92 5.04 0.00 2.10 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 2.25 2.34 0.00 91 L 9.65 5.48 0.00 1.67 1.77 0.66 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.98 5.05 0.00 2.05 1.76 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 2.15 2.21 0.00 93 D 9.45 4.32 0.00 2.05 2.33 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 0.00 94 P 0.00 4.04 0.00 2.00 2.00 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.11 0.00 95 L 7.32 4.04 0.00 1.54 1.60 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 96 S 9.04 4.13 0.00 3.89 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 97 G 8.75 3.85 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 0.00 0.00 0.00 98 E 8.06 4.06 0.00 2.11 1.79 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 2.36 2.39 0.00 99 R 8.57 5.12 0.00 1.86 1.82 0.00 3.34 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 100 L 9.31 4.78 0.00 1.85 1.52 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.74 5.32 0.00 4.03 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 0.00 102 V 8.68 4.68 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 0.67 0.00 0.00 0.88 0.00 0.00 103 Q 9.15 5.02 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 104 V 8.50 4.47 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 0.87 0.00 0.00 0.91 0.00 0.00 105 V 8.55 4.96 2.24 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 0.73 0.00 0.00 0.89 0.00 0.00 106 S 8.41 4.46 0.00 3.87 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 0.00 107 P 0.00 4.01 0.00 2.20 2.12 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 108 A 7.90 4.34 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.63 4.31 0.00 2.02 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 2.27 2.23 0.00 110 A 7.20 4.10 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 0.00 111 N 8.79 4.73 0.00 2.70 2.88 0.00 0.00 6.78 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.44 3.84 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 0.75 0.00 0.00 0.92 0.00 0.00 113 L 8.18 4.29 0.00 1.84 1.71 0.92 1.31 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 0.00 114 D 7.87 4.63 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.86 3.64 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 1.21 0.00 0.00 116 P 0.00 4.45 0.00 1.96 2.06 0.00 3.72 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 2.03 2.12 0.00 117 M 8.65 3.91 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.79 0.00 118 K 8.79 4.92 0.00 1.79 1.72 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 119 I 9.06 4.64 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.88 0.88 0.00 0.00 120 S 8.71 4.29 0.00 3.89 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 0.00 121 D 8.63 4.44 0.00 2.94 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.63 4.66 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 0.00 123 S 7.67 4.68 0.00 4.03 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 0.00 124 P 0.00 4.18 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 125 M 8.04 4.06 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 126 G 8.07 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.45 3.81 0.00 1.71 2.14 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 128 A 7.81 4.12 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 0.00 129 L 7.76 3.98 0.00 1.80 1.69 0.85 0.35 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 0.00 130 L 7.17 4.15 0.00 1.69 1.63 0.97 0.98 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 0.00 131 G 9.28 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 0.00 132 H 8.12 4.72 0.00 3.32 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.79 4.91 0.00 1.82 1.88 0.00 3.13 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 134 V 8.22 3.94 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 0.82 0.00 0.00 0.98 0.00 0.00 135 G 9.23 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 0.00 0.00 0.00 0.00 136 D 8.03 4.90 0.00 2.88 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 0.00 137 V 8.27 4.89 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 0.90 0.00 0.00 0.99 0.00 0.00 138 L 9.38 4.86 0.00 1.58 1.50 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.65 5.07 0.00 3.90 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 0.00 140 L 9.32 4.85 0.00 1.54 1.40 0.42 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.91 4.42 0.00 2.63 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 0.00 142 T 8.20 4.76 4.46 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 1.31 0.00 0.00 143 P 0.00 4.29 0.00 2.04 2.12 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 144 K 8.13 4.13 0.00 1.87 1.95 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.45 7.81 145 G 7.20 4.34 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 0.00 0.00 0.00 146 R 8.71 4.07 0.00 1.85 1.94 0.00 3.24 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 147 R 8.62 4.62 0.00 2.07 1.79 0.00 3.03 0.00 0.00 2.90 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 148 E 8.45 5.30 0.00 1.81 1.83 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 2.22 2.30 0.00 149 F 9.86 4.98 0.00 2.91 2.96 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 0.00 150 R 8.85 4.97 0.00 1.86 1.90 0.00 3.10 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 151 V 8.63 4.00 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 0.93 0.00 0.00 0.96 0.00 0.00 152 V 8.66 3.78 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 0.78 0.00 0.00 1.01 0.00 0.00 153 A 7.19 4.26 1.09 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 0.00 0.00 154 I 8.11 5.42 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.83 0.94 0.00 0.00 155 H 8.58 4.30 0.00 3.05 3.34 0.00 5.69 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 0.00 156 G 8.05 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 0.00 0.00 0.00