NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0966 8.0549 114.0554 61.3073 33.0265 174.2635 2 L 4.3867 8.0719 120.7658 51.7513 43.3630 175.5991 3 S 4.7505 9.1485 117.3754 57.0930 67.0028 174.7694 4 E 4.2530 8.9177 122.5001 60.0792 29.1626 180.1051 5 G 3.6901 8.1357 104.8188 47.7862 0.0000 175.4628 6 E 3.9946 7.9054 120.9933 59.0270 29.4672 179.3605 7 W 4.3838 8.3889 119.1776 59.6244 29.0316 178.4439 8 Q 4.0664 8.4500 119.8208 59.2498 28.6757 178.1925 9 L 4.0814 7.8630 119.7662 57.6195 41.7150 179.7877 10 V 3.7046 7.8399 118.2491 66.2473 31.4106 178.2846 11 L 4.2484 8.1292 117.1743 57.7776 41.2281 178.7362 12 H 4.3819 8.5791 119.0035 59.1668 29.6925 177.6319 13 V 3.6805 7.9469 120.2961 64.0170 31.4199 177.9223 14 W 4.0158 8.1951 128.2650 59.5743 30.2945 177.7556 15 A 3.9851 7.4130 119.7226 54.9266 17.8484 179.4217 16 K 3.9085 7.5431 117.3208 59.4575 32.2014 179.7442 17 V 2.6754 6.9489 117.9742 65.6654 31.1539 177.7381 18 E 3.8586 7.4716 116.4390 58.6145 29.2674 178.7693 19 A 4.1891 7.2930 120.5073 54.0313 19.7027 177.6454 20 D 4.6432 7.6767 115.9814 52.0807 42.7604 175.4607 21 V 3.5195 7.9702 123.3684 65.6829 32.0864 176.6906 22 A 4.0692 8.0604 120.0801 55.0433 18.1439 179.7339 23 G 3.4867 8.3278 105.4021 47.9397 0.0000 175.7629 24 H 4.1731 8.2405 119.7446 58.2152 28.7542 178.2639 25 G 3.5634 8.4303 108.0439 47.5587 0.0000 175.7197 26 Q 3.8523 8.0056 121.8601 59.1590 29.1322 177.9157 27 D 4.3132 7.9745 119.9305 57.2684 40.7847 178.9959 28 I 3.6001 7.6704 120.2353 64.3899 37.2009 178.4115 29 L 3.3905 7.4888 119.4006 57.6694 41.2739 179.7906 30 I 3.6714 7.5068 119.6589 64.3077 37.0245 178.4676 31 R 3.8113 7.8182 119.5999 59.1110 29.7592 178.4288 32 L 3.8495 7.7785 120.0759 58.2535 41.6891 178.9372 33 F 4.5314 8.0840 118.1036 60.6964 38.5946 177.8995 34 K 4.1018 8.2565 117.5155 59.3095 31.9512 179.4278 35 S 4.2940 7.8745 114.7809 60.2453 64.1313 174.4176 36 H 4.6292 8.0928 120.1036 51.9592 28.7583 171.9671 37 P 4.4974 0.0000 0.0000 64.6027 31.4977 177.4759 38 E 4.0680 8.2473 116.1492 59.4949 29.4086 179.2031 39 T 4.0024 8.0730 111.0611 64.6107 68.7296 176.3477 40 L 3.5631 7.8773 123.3373 57.6965 41.8286 178.4650 41 E 3.9898 7.7132 117.2967 58.7801 29.5889 178.3892 42 K 4.4539 8.0878 117.0250 56.9490 32.5398 176.5677 43 F 4.6381 8.3499 119.3776 55.5216 39.3585 176.1760 44 D 4.4324 8.6070 126.8991 57.0380 40.9456 178.3888 45 R 3.8660 7.8919 118.3257 58.2271 30.2797 176.6041 46 F 5.1246 7.6976 113.6193 56.5839 40.6737 176.6452 47 K 3.9468 8.1602 120.4899 59.3963 32.2668 177.7807 48 H 4.4088 8.1356 113.9745 57.1635 28.9421 175.5016 49 L 4.1719 7.6100 121.6105 54.5082 42.0381 176.6496 50 K 4.3969 9.3226 121.9946 56.5972 34.8224 176.9967 51 T 4.6516 7.5713 107.5794 59.4965 72.6909 174.6753 52 E 3.9420 8.5555 121.2610 59.0813 29.6803 178.7437 53 A 3.9555 7.8984 120.6366 55.1999 18.0768 179.2530 54 E 3.9303 8.1523 117.1145 59.8788 29.2865 179.5896 55 M 4.0834 7.7817 117.7919 58.1881 32.0662 178.4694 56 K 4.0330 8.1402 118.9516 58.9206 32.4588 178.0829 57 A 4.4157 7.6226 119.1612 52.0070 19.1612 177.1349 58 S 4.2691 7.3530 112.6171 57.8754 62.7969 174.7194 59 E 4.1598 8.8585 128.4576 59.2808 29.3314 178.5847 60 D 4.4537 8.1689 117.8987 57.1343 41.3589 177.8320 61 L 3.5314 7.9378 120.5603 58.1093 42.0620 179.2235 62 K 3.9913 7.6950 116.9836 59.0854 31.9679 179.2606 63 K 3.9566 8.0790 120.1420 59.9391 32.0900 178.4184 64 H 4.5841 8.6106 118.5795 58.9339 29.6961 177.4614 65 G 3.5569 8.1060 107.9983 47.7480 0.0000 175.9050 66 V 3.6219 7.8957 120.7805 65.9369 31.6465 178.2806 67 T 3.9273 7.7733 115.1217 66.5219 68.2499 176.8729 68 V 3.6083 8.0432 120.2879 66.1952 31.6002 178.2291 69 L 4.2325 8.2710 118.8708 57.9022 41.5008 179.8060 70 T 3.9692 8.1858 115.7741 66.6034 68.3136 176.5632 71 A 4.0127 7.9043 122.2590 54.9905 18.4055 179.4496 72 L 3.6799 8.1998 119.0507 58.2359 42.1207 179.4034 73 G 3.0328 8.3531 105.6784 47.5584 0.0000 175.4672 74 A 3.9915 7.5872 121.7654 54.7951 18.6583 179.6321 75 I 3.7612 7.2631 118.3312 64.5443 37.2348 178.5261 76 L 3.9487 7.5401 119.7570 57.7412 41.2037 179.4978 77 K 4.0398 7.3827 116.0202 58.0227 32.3303 178.5700 78 K 3.9870 7.8896 118.4265 55.8250 32.7818 176.4297 79 K 2.0000 8.2111 118.6137 56.4989 29.8563 175.1353 80 G 3.9834 7.8712 105.7978 45.8051 0.0000 173.7639 81 H 4.8082 7.5793 118.4207 54.3518 27.4750 174.8370 82 H 5.1736 7.1810 111.1372 54.6179 29.3530 176.8128 83 E 3.9886 8.6183 121.8310 60.2997 28.9398 179.0649 84 A 4.0713 7.8950 118.7522 55.0719 18.4825 178.8784 85 E 4.1602 8.1657 114.0364 57.9058 30.0860 177.8116 86 L 4.3370 7.7967 120.9663 56.5439 42.5810 177.9265 87 K 3.8651 7.6624 118.9974 59.1075 32.1021 176.9366 88 P 4.3002 0.0000 0.0000 65.9438 31.2155 178.2719 89 L 4.1755 8.2266 119.3257 56.8072 41.6006 179.0697 90 A 4.1812 8.1119 121.0830 55.0222 18.4558 179.7789 91 Q 3.7929 8.1499 116.9524 59.0763 28.3282 179.0366 92 S 4.0072 8.2814 115.5081 61.6158 63.0063 176.1139 93 H 4.3023 8.3358 119.4211 57.9245 28.3951 177.6957 94 A 3.0453 7.3867 122.1168 54.7381 18.2141 178.5791 95 T 3.8774 6.8917 104.6537 62.1208 69.9573 175.8692 96 K 4.1197 7.6954 121.4080 58.3634 32.8662 176.9922 97 H 4.3857 8.0297 114.2415 55.9565 29.3459 175.2561 98 K 3.8025 7.7075 117.0299 57.2991 28.9284 176.1159 99 I 4.2060 7.9432 119.5485 59.1425 38.1884 175.0569 100 P 4.3347 0.0000 0.0000 62.0989 32.0404 177.6517 101 I 3.3922 8.1794 123.1670 64.4075 36.9344 178.6555 102 K 3.6572 7.8827 119.8822 59.7727 31.8791 178.2243 103 Y 4.2241 7.9131 116.9187 60.8082 37.5967 178.1477 104 L 4.0845 8.0111 121.5554 57.8704 41.9876 178.6545 105 E 3.9505 7.8401 119.1287 59.0031 29.6413 178.4980 106 F 4.5347 7.7511 117.7605 60.9034 39.0916 177.4454 107 I 3.7860 8.1231 118.0483 64.3775 37.6236 178.0674 108 S 4.2839 8.0584 116.2328 61.4638 62.6092 176.3778 109 E 4.2114 8.1361 121.3964 59.1047 29.2270 179.0927 110 A 4.1022 8.0856 121.0728 54.9706 18.3947 179.8269 111 I 3.6907 7.7229 118.0783 64.7248 37.1532 178.7118 112 I 3.9825 7.5508 119.2772 64.5089 36.9009 178.0973 113 H 4.1909 8.2027 118.7927 59.2135 29.7158 177.3783 114 V 3.5082 7.7414 120.0113 66.1704 31.3947 177.8485 115 L 3.8386 7.8824 118.4938 58.1271 41.0788 179.4380 116 H 4.3603 7.8949 114.9389 58.8965 28.7956 177.5333 117 S 4.1810 7.8439 113.8331 61.3861 62.3547 175.8981 118 R 3.9673 8.1121 120.2250 57.9823 31.3491 175.9486 119 H 4.9164 7.8961 114.8349 53.2044 29.1256 171.3927 120 P 4.4327 0.0000 0.0000 64.0246 31.9514 177.0990 121 G 3.9986 9.0781 110.6501 46.4179 0.0000 173.1611 122 D 4.7351 8.3629 116.2424 52.9582 42.5504 175.4608 123 F 5.0133 8.0966 120.3483 56.7803 39.2873 175.4827 124 G 3.8474 8.5437 115.4174 43.5668 0.0000 171.8466 125 A 3.8436 8.3883 123.3664 54.6269 18.1199 180.0586 126 D 4.2127 7.9334 117.4519 56.6434 39.5595 178.5763 127 A 4.0180 7.6861 121.8619 54.6866 18.5135 179.2208 128 Q 3.7260 7.9697 118.6128 59.0942 29.0253 178.7405 129 G 3.5281 8.0187 106.6802 47.5453 0.0000 175.6535 130 A 3.8561 7.9321 123.2221 55.1672 18.4355 179.4065 131 M 4.0415 8.3341 116.9158 58.6999 32.2575 178.1818 132 N 4.3235 8.1772 116.6690 56.3118 38.8013 177.4215 133 K 3.8697 7.9406 119.5368 59.4338 32.1126 179.2574 134 A 3.8316 7.8919 120.8996 55.1705 18.2828 179.7506 135 L 4.0991 8.0002 117.5113 57.9219 41.5822 179.5852 136 E 4.0611 8.4474 118.7710 58.9049 29.3722 179.0798 137 L 3.9554 8.0884 120.6068 58.1182 42.2511 178.6149 138 F 4.2025 8.2581 120.6323 61.3797 39.1924 177.0803 139 R 3.5829 8.0734 118.0594 59.1858 29.8902 178.0912 140 K 3.7769 8.1970 119.7444 59.8870 31.6293 178.3584 141 D 4.3489 8.1250 118.8163 57.2534 40.7249 178.8147 142 I 3.5238 7.5408 120.0387 64.3861 37.1230 178.3973 143 A 3.8545 8.1076 121.4272 54.9348 17.6386 179.5367 144 A 3.9907 7.7148 119.2725 55.1336 18.5255 179.9699 145 K 4.0393 7.7677 116.0728 59.4774 32.1865 179.1520 146 Y 3.9739 8.2839 117.1409 60.9837 37.7022 178.5532 147 K 3.9628 8.3107 120.4789 59.4323 32.0508 178.1172 148 E 3.9362 7.6674 117.8798 59.6450 29.6398 178.7679 149 L 4.2335 7.6355 116.8790 56.7903 41.7232 177.7877 150 G 4.0071 7.2717 104.6685 45.4361 0.0000 173.5235 151 Y 3.8939 9.0091 118.9880 56.6376 37.0182 177.4572 152 Q 4.0808 9.8153 129.7281 57.1797 30.2379 172.6927 153 G 3.8032 8.0449 111.1946 46.1976 0.0000 173.2710 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 V 8.05 4.10 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 0.94 0.00 0.00 0.96 0.00 0.00 2 L 8.07 4.39 0.00 0.73 0.73 0.56 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.15 4.75 0.00 4.07 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 4 E 8.92 4.25 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 5 G 8.14 3.69 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 0.00 0.00 0.00 6 E 7.91 3.99 0.00 1.97 1.78 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 2.25 2.28 0.00 7 W 8.39 4.38 0.00 3.53 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 8 Q 8.45 4.07 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 9 L 7.86 4.08 0.00 1.90 1.76 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.84 3.70 2.50 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 1.19 0.00 0.00 0.90 0.00 0.00 11 L 8.13 4.25 0.00 1.78 1.82 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.58 4.38 0.00 3.37 3.60 0.00 5.78 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 13 V 7.95 3.68 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 1.09 0.00 0.00 0.70 0.00 0.00 14 W 8.20 4.02 0.00 3.64 3.29 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 15 A 7.41 3.99 1.34 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 16 K 7.54 3.91 0.00 1.68 1.58 0.00 1.47 0.00 0.00 1.38 0.00 0.00 2.67 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.07 1.28 7.81 17 V 6.95 2.68 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 0.10 0.00 0.00 0.30 0.00 0.00 18 E 7.47 3.86 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 19 A 7.29 4.19 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 20 D 7.68 4.64 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.97 3.52 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.91 0.00 0.00 22 A 8.06 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.33 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 24 H 8.24 4.17 0.00 3.08 3.22 0.00 5.82 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 25 G 8.43 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 0.00 0.00 0.00 26 Q 8.01 3.85 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 D 7.97 4.31 0.00 2.88 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.67 3.60 1.93 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 1.50 1.04 0.87 0.00 0.00 29 L 7.49 3.39 0.00 1.41 1.04 0.73 0.37 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 30 I 7.51 3.67 1.79 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 1.37 0.74 0.88 0.00 0.00 31 R 7.82 3.81 0.00 1.91 2.16 0.00 3.07 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 32 L 7.78 3.85 0.00 1.74 1.38 0.99 0.79 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 33 F 8.08 4.53 0.00 2.94 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 34 K 8.26 4.10 0.00 1.72 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.60 7.81 35 S 7.87 4.29 0.00 3.79 3.55 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 36 H 8.09 4.63 0.00 2.85 3.06 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.50 0.00 2.15 2.11 0.00 3.83 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 2.09 1.99 0.00 38 E 8.25 4.07 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 39 T 8.07 4.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 40 L 7.88 3.56 0.00 1.32 1.75 -0.03 0.68 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 41 E 7.71 3.99 0.00 2.15 2.18 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 2.38 2.45 0.00 42 K 8.09 4.45 0.00 2.07 1.80 0.00 1.87 0.00 0.00 1.93 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 2.01 2.06 7.81 43 F 8.35 4.64 0.00 3.20 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 44 D 8.61 4.43 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.87 0.00 1.49 1.33 0.00 2.95 0.00 0.00 2.77 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.33 0.00 46 F 7.70 5.12 0.00 2.84 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 47 K 8.16 3.95 0.00 1.89 2.10 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.75 1.43 7.81 48 H 8.14 4.41 0.00 3.31 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.61 4.17 0.00 1.58 1.54 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.32 4.40 0.00 1.80 1.78 0.00 1.54 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.36 7.81 51 T 7.57 4.65 4.23 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 1.20 0.00 0.00 52 E 8.56 3.94 0.00 2.04 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 2.35 2.35 0.00 53 A 7.90 3.96 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 54 E 8.15 3.93 0.00 2.18 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 2.33 2.34 0.00 55 M 7.78 4.08 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.51 0.00 56 K 8.14 4.03 0.00 1.91 1.96 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 57 A 7.62 4.42 1.33 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 0.00 0.00 58 S 7.35 4.27 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.86 4.16 0.00 2.05 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 2.41 2.32 0.00 60 D 8.17 4.45 0.00 2.91 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 61 L 7.94 3.53 0.00 1.55 1.67 -0.22 0.18 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 62 K 7.69 3.99 0.00 2.04 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.48 7.81 63 K 8.08 3.96 0.00 2.01 2.15 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.61 4.58 0.00 3.64 3.61 0.00 5.84 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 65 G 8.11 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 0.00 0.00 0.00 66 V 7.90 3.62 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 1.05 0.00 0.00 1.00 0.00 0.00 67 T 7.77 3.93 4.49 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 1.31 0.00 0.00 68 V 8.04 3.61 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 1.17 0.00 0.00 0.95 0.00 0.00 69 L 8.27 4.23 0.00 1.80 1.89 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.19 3.97 4.50 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 1.26 0.00 0.00 71 A 7.90 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.20 3.68 0.00 1.78 1.77 0.30 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.35 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 0.00 0.00 0.00 74 A 7.59 3.99 1.34 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 75 I 7.26 3.76 1.75 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 1.54 0.94 0.84 0.00 0.00 76 L 7.54 3.95 0.00 1.22 1.56 0.03 0.51 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 77 K 7.38 4.04 0.00 1.58 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.48 7.81 78 K 7.89 3.99 0.00 1.87 1.80 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.68 7.81 79 K 8.21 2.00 0.00 1.26 0.74 0.00 1.22 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.41 0.86 7.81 80 G 7.87 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 0.00 0.00 0.00 81 H 7.58 4.81 0.00 3.17 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.18 5.17 0.00 3.34 3.49 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.62 3.99 0.00 2.10 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 2.42 2.49 0.00 84 A 7.89 4.07 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 85 E 8.17 4.16 0.00 2.21 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 2.60 2.32 0.00 86 L 7.80 4.34 0.00 1.97 1.73 0.78 0.35 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 87 K 7.66 3.87 0.00 1.92 1.81 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.46 7.81 88 P 0.00 4.30 0.00 2.33 2.31 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 89 L 8.23 4.18 0.00 1.89 1.82 1.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.11 4.18 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 91 Q 8.15 3.79 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 92 S 8.28 4.01 0.00 3.92 4.09 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 93 H 8.34 4.30 0.00 3.52 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 94 A 7.39 3.05 -0.15 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 0.00 0.00 95 T 6.89 3.88 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 1.00 0.00 0.00 96 K 7.70 4.12 0.00 1.58 1.79 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.35 7.81 97 H 8.03 4.39 0.00 3.20 3.18 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.71 3.80 0.00 1.91 1.89 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.39 7.81 99 I 7.94 4.21 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 1.09 0.00 0.00 100 P 0.00 4.33 0.00 1.42 1.78 0.00 2.24 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.84 0.00 101 I 8.18 3.39 1.69 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.86 0.70 0.00 0.00 102 K 7.88 3.66 0.00 1.71 1.66 0.00 1.50 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 0.84 7.81 103 Y 7.91 4.22 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 0.00 104 L 8.01 4.08 0.00 1.71 1.81 1.11 0.44 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 0.00 105 E 7.84 3.95 0.00 1.97 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 2.39 2.41 0.00 106 F 7.75 4.53 0.00 3.29 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.12 3.79 2.00 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 1.61 1.29 1.04 0.00 0.00 108 S 8.06 4.28 0.00 4.10 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 0.00 109 E 8.14 4.21 0.00 2.18 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 0.00 2.73 2.61 0.00 110 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 0.00 111 I 7.72 3.69 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.24 1.00 0.00 0.00 112 I 7.55 3.98 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 1.10 0.00 0.00 113 H 8.20 4.19 0.00 3.28 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.74 3.51 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 0.97 0.00 0.00 0.94 0.00 0.00 115 L 7.88 3.84 0.00 1.33 0.61 0.49 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.89 4.36 0.00 3.42 3.41 0.00 5.85 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.84 4.18 0.00 3.72 3.77 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 0.00 0.00 0.00 118 R 8.11 3.97 0.00 1.67 1.74 0.00 2.76 0.00 0.00 2.72 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.42 0.00 119 H 7.90 4.92 0.00 3.32 3.15 0.00 5.69 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 0.00 120 P 0.00 4.43 0.00 2.05 2.03 0.00 3.80 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 2.02 2.22 0.00 121 G 9.08 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 0.00 122 D 8.36 4.74 0.00 2.65 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 0.00 123 F 8.10 5.01 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.54 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 0.00 125 A 8.39 3.84 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 0.00 126 D 7.93 4.21 0.00 2.85 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 0.00 127 A 7.69 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.97 3.73 0.00 1.38 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 129 G 8.02 3.53 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 0.00 130 A 7.93 3.86 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 0.00 131 M 8.33 4.04 0.00 2.43 2.36 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 2.72 2.83 0.00 132 N 8.18 4.32 0.00 3.02 2.85 0.00 0.00 6.98 6.87 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 0.00 133 K 7.94 3.87 0.00 1.80 1.68 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.58 7.81 134 A 7.89 3.83 1.22 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 0.00 135 L 8.00 4.10 0.00 2.08 1.80 0.96 1.07 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 0.00 136 E 8.45 4.06 0.00 2.16 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 2.33 2.53 0.00 137 L 8.09 3.96 0.00 1.93 2.01 0.99 0.93 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 0.00 138 F 8.26 4.20 0.00 3.22 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.07 3.58 0.00 2.12 1.97 0.00 3.12 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 140 K 8.20 3.78 0.00 1.82 2.06 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 141 D 8.13 4.35 0.00 2.84 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 0.00 142 I 7.54 3.52 1.57 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.15 0.48 0.00 0.00 143 A 8.11 3.85 1.23 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 0.00 0.00 144 A 7.71 3.99 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 0.00 145 K 7.77 4.04 0.00 2.14 1.90 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 Y 8.28 3.97 0.00 3.11 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 0.00 147 K 8.31 3.96 0.00 2.15 1.85 0.00 1.86 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.67 3.94 0.00 2.03 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 2.34 2.38 0.00 149 L 7.64 4.23 0.00 2.00 1.92 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.27 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 0.00 151 Y 9.01 3.89 0.00 3.01 2.73 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 0.00 152 Q 9.82 4.08 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.23 2.59 0.00 153 G 8.04 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 0.00 0.00 0.00