NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9310 8.3393 109.7364 45.5252 0.0000 172.9699 2 S 4.3341 7.7963 115.3435 57.2588 64.7493 173.6588 3 S 4.5395 8.0212 114.1893 57.5805 65.9602 178.3580 4 G 3.6688 9.4720 109.1848 46.4133 0.0000 169.6144 5 S 3.9039 8.5293 120.6416 57.8219 63.2575 171.3742 6 S 4.5493 7.9807 116.2734 57.9273 64.6286 176.0693 7 G 4.0811 8.3748 114.2628 44.4806 0.0000 172.1331 8 Q 4.3672 7.8634 120.2139 55.1251 32.5554 173.6852 9 S 4.5955 8.5114 112.0453 58.4229 64.7578 175.6632 10 Q 4.5974 7.7451 124.9796 54.4901 32.3283 174.0390 11 G 4.2475 8.2863 112.9099 44.9602 0.0000 172.2290 12 G 4.4829 8.4105 116.3447 44.6251 0.0000 170.8627 13 G 3.7011 7.7574 110.1841 43.9810 0.0000 172.2659 14 S 4.3703 7.6323 117.2986 57.6159 65.0313 174.7285 15 V 4.2763 8.3028 122.7219 61.3745 32.2439 174.5607 16 T 4.5485 7.9979 123.1331 62.3869 71.4936 173.9771 17 K 3.9921 8.6531 126.7255 55.7435 31.8185 175.5676 18 K 4.4676 8.0875 116.5899 56.4595 32.4362 176.2308 19 R 3.4897 8.4161 120.9762 57.4953 26.8093 177.3915 20 K 3.7844 8.6639 124.5785 55.5633 32.3272 174.7667 21 L 4.1635 7.7977 117.9559 54.8454 42.7268 172.4958 22 E 4.2473 7.8666 124.9320 54.8494 32.6634 173.5422 23 S 3.4653 7.9764 127.7740 58.3897 60.7320 171.0614 24 S 4.6198 8.2005 120.9916 56.3958 64.7852 169.1637 25 E 3.8148 8.6807 127.9723 56.1648 29.2752 173.1205 26 S 4.6208 8.3473 121.8331 58.9507 70.0800 175.7070 27 R 4.6047 7.6449 116.9340 54.8654 33.1055 174.0789 28 S 4.4156 8.3629 114.6612 57.0585 64.2933 173.8261 29 S 4.2521 8.3158 124.9098 56.9923 62.6028 170.9782 30 F 4.0484 8.6200 127.6663 56.5412 38.9894 176.5595 31 S 4.5157 9.1927 119.1585 57.7088 58.7207 173.5443 32 Q 4.1373 7.7715 120.8340 57.1086 30.1504 178.4417 33 H 4.9984 9.2035 116.2903 55.2555 31.8414 172.5835 34 A 5.0641 8.0255 122.9369 50.6544 22.1867 177.5955 35 R 4.3610 8.9444 118.8488 55.8636 33.5406 174.8776 36 T 4.3771 8.4327 121.3825 63.7176 69.9122 174.5496 37 S 4.8045 8.5902 118.9262 54.8376 64.0974 175.0316 38 G 4.5319 7.5948 117.8938 46.0402 0.0000 171.1555 39 R 4.4926 8.4220 120.3872 57.1776 32.4856 175.8395 40 V 4.6159 8.0226 116.8371 61.8941 32.9783 175.2358 41 A 4.8622 9.2301 127.5583 48.8306 22.7145 176.0610 42 V 3.7250 8.5715 121.2094 62.4129 29.5698 175.1933 43 E 3.8744 8.6398 124.9098 58.2173 29.4894 175.8034 44 E 4.5821 8.7581 117.0205 55.0138 34.0706 173.5180 45 V 4.1451 8.0541 126.5373 60.4827 33.9072 174.3174 46 D 3.9979 7.4464 128.5695 54.4720 41.2387 176.9361 47 E 4.0520 8.9081 124.6384 59.5737 29.5620 178.3961 48 E 4.0336 8.2698 118.1546 57.5276 29.7546 177.4009 49 G 4.0800 8.4348 106.7221 47.2656 0.0000 175.9458 50 K 4.4334 8.2320 120.8914 58.8885 33.5545 177.1419 51 F 5.4321 7.2447 112.2963 55.8149 41.3712 173.2502 52 V 3.9665 8.5155 119.8391 61.1172 33.8691 174.3821 53 R 4.9697 8.9266 128.6194 54.9625 31.8614 175.5210 54 L 5.0431 9.3779 124.6899 52.8166 44.7079 175.6563 55 R 5.0336 8.9909 123.6877 54.5024 33.4030 173.6016 56 N 5.0718 9.1741 123.2781 52.5784 40.3231 175.3684 57 K 4.6063 8.9828 124.1153 57.0926 34.2310 176.8319 58 S 4.5329 8.3180 114.6936 58.4616 64.0785 174.6085 59 N 4.4589 8.7877 115.7456 52.6819 38.3303 174.2551 60 E 4.6242 7.8145 118.9591 54.3564 31.3085 175.3629 61 D 4.3405 8.6712 123.2723 54.9627 41.6865 175.9984 62 Q 4.4979 8.9024 125.3829 54.4826 30.9558 174.2089 63 S 4.6521 8.4642 121.5123 56.8572 63.9452 174.6027 64 M 3.7092 8.3417 126.7620 54.3728 32.8149 176.7568 65 G 4.6827 8.1251 105.8771 43.3241 0.0000 174.2623 66 N 5.2277 8.2788 127.0327 54.3343 38.4389 175.7801 67 W 4.6200 7.2819 119.6625 57.5083 30.8380 174.9466 68 Q 5.1909 9.9886 119.7652 55.2281 33.7985 173.7245 69 I 4.9965 8.8547 121.0449 59.8216 40.8052 175.0664 70 R 4.8195 9.3160 127.2391 55.1989 31.8004 175.4392 71 R 5.0517 9.5144 125.6551 54.6729 32.7077 174.3890 72 Q 4.8539 9.9651 129.4726 54.5201 31.7221 173.5307 73 N 5.0709 8.7242 123.6349 52.9314 42.4592 175.7943 74 G 3.7003 8.1416 110.1430 47.1449 0.0000 173.4373 75 D 4.6054 8.3013 114.8360 52.8995 39.6091 175.3985 76 D 4.8242 7.9799 122.3498 50.9959 45.5583 173.4047 77 P 4.3661 0.0000 0.0000 62.1873 31.2098 175.9538 78 L 4.3027 8.5855 126.4566 55.6115 42.7563 175.6969 79 M 4.7296 9.1117 126.1379 54.1528 34.5446 175.2663 80 T 4.9859 8.6219 120.6716 61.9096 69.6558 173.1700 81 Y 3.6887 9.0684 128.7207 56.9941 38.8810 173.7988 82 R 4.4450 7.8403 127.1551 55.3347 30.7009 175.9861 83 F 4.1110 8.9680 126.2732 56.3906 40.1213 173.5055 84 P 4.4980 0.0000 0.0000 62.1145 31.8503 175.2732 85 P 4.6041 0.0000 0.0000 63.8406 31.7350 176.1785 86 K 4.8293 7.7825 117.1986 56.3625 31.8507 175.7700 87 F 4.7521 8.1186 121.3138 56.7671 43.6069 174.4738 88 T 4.6052 7.4226 120.6757 62.1420 71.9074 173.7947 89 L 4.1542 8.9705 131.0879 53.2389 41.9291 176.1546 90 K 4.2049 8.4051 125.3195 55.8707 33.6741 175.6445 91 A 4.0047 8.4147 124.2312 53.1782 18.8324 178.1787 92 G 3.8704 8.1190 109.8096 45.7970 0.0000 173.6511 93 Q 4.5833 7.4658 119.9194 55.0807 30.7522 174.8523 94 V 5.1093 7.9975 118.4378 60.6393 34.6916 174.7331 95 V 4.8305 9.2935 120.5752 60.6362 35.4938 173.8289 96 T 4.7792 9.2416 119.4165 62.1712 71.5686 173.4043 97 I 4.7463 8.7835 128.8713 59.2694 37.2496 175.4532 98 W 5.1542 9.7111 127.1343 56.6024 30.7289 174.4388 99 A 4.9979 9.1130 123.5423 50.5130 20.1147 176.9922 100 S 4.0194 8.7532 117.5452 61.2850 62.4615 176.4266 101 G 3.9606 8.1782 110.4280 43.4612 0.0000 173.9416 102 A 4.5071 8.2198 122.8985 52.8666 20.7185 177.3981 103 G 3.8614 8.0914 105.0648 48.1117 0.0000 172.6452 104 A 4.0277 7.3029 121.5398 50.8363 21.9443 176.8427 105 T 4.1509 7.3655 113.9887 62.5196 70.7528 172.8386 106 H 4.1627 8.9302 127.3607 57.0339 30.2569 175.5914 107 S 4.6385 8.1558 124.5613 56.4706 63.3881 171.5740 108 P 5.4480 0.0000 0.0000 60.8114 32.5951 175.6637 109 P 4.5189 0.0000 0.0000 64.8198 31.3710 176.9408 110 T 3.8811 7.4480 109.6110 65.2168 68.4143 173.5647 111 D 5.3539 8.8114 120.3483 53.5653 43.1320 175.5214 112 L 5.3633 9.7769 120.5515 53.4081 47.0983 175.6083 113 V 4.8162 8.5838 119.3002 61.0251 34.1445 175.2656 114 W 4.6429 9.6067 135.0000 57.4405 29.9599 176.9593 115 K 3.8986 9.0458 126.5927 59.2123 32.1611 178.6423 116 A 4.0015 8.2766 120.1489 55.3060 18.1482 177.9406 117 Q 3.8615 6.2515 111.8930 54.6573 30.2613 175.0930 118 N 4.6247 7.4264 113.8682 53.5931 39.0774 174.5416 119 T 4.3066 6.9077 108.8840 60.9123 70.0218 172.3455 120 W 4.4508 8.8989 128.6952 60.8544 29.3589 175.6811 121 G 3.9601 7.7889 102.5401 43.7884 0.0000 172.6772 122 C 4.8825 8.5646 121.1041 57.0778 31.1412 172.2450 123 G 4.2590 8.8468 105.6466 43.5617 0.0000 174.3560 124 S 3.8457 8.8243 115.6357 61.1258 63.8783 174.0341 125 S 5.0751 7.8458 117.7263 56.5557 64.3738 173.0852 126 L 5.1550 9.2477 124.1377 53.0152 46.4251 175.6369 127 R 4.8251 9.2055 121.2692 55.1555 33.6876 173.9275 128 T 5.1662 8.9714 122.4562 61.9228 72.0460 172.9585 129 A 5.1341 9.4415 127.9958 49.8369 23.2725 174.0061 130 L 5.0649 9.0358 121.1888 53.3471 44.9000 175.1710 131 I 4.7970 8.8968 127.6023 59.3019 39.5712 175.9545 132 N 3.3252 8.1083 125.8964 51.6979 37.8644 174.4963 133 S 4.1064 7.7912 111.8468 62.2102 62.4590 175.2616 134 T 4.1393 8.0756 109.9747 60.9015 69.8769 175.4262 135 G 3.9277 8.2400 111.3184 45.3684 0.0000 173.4109 136 E 4.5510 7.3344 118.7778 54.0819 33.3612 173.6458 137 E 4.7505 8.6269 126.2730 55.9356 30.8798 175.8279 138 V 4.3764 8.8620 117.8630 61.5117 34.3952 175.7345 139 A 5.2350 7.7631 120.1502 50.2906 22.9070 174.9190 140 M 4.9643 8.8414 117.1622 53.7476 35.4258 175.1172 141 R 4.7035 9.3416 121.1967 55.2989 32.3514 173.4311 142 K 4.9887 8.8574 127.4813 54.9913 35.1100 175.1066 143 L 4.9255 8.7259 124.3462 53.4795 46.4339 175.0284 144 V 4.6327 8.4104 123.3833 60.8202 34.3677 174.5288 145 R 3.6960 7.7678 128.7305 55.8050 30.6017 177.5710 146 S 4.3686 8.6506 122.0612 57.9887 60.9389 173.8894 147 G 3.9645 7.5852 113.6350 42.8889 0.0000 169.0858 148 P 4.4404 0.0000 0.0000 62.3747 32.0711 175.8215 149 S 4.5554 8.1915 114.2962 56.7679 63.5655 173.9781 150 S 4.2310 8.5855 120.7991 58.2974 63.3721 174.4820 151 G 3.7135 8.5743 112.6154 45.5919 0.0000 172.5082 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 G 8.34 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 2 S 7.80 4.33 0.00 4.01 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 3 S 8.02 4.54 0.00 3.79 3.72 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 4 G 9.47 3.67 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 0.00 0.00 0.00 5 S 8.53 3.90 0.00 4.01 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.98 4.55 0.00 3.80 3.65 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 7 G 8.37 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 8 Q 7.86 4.37 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 9 S 8.51 4.60 0.00 3.77 3.71 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 10 Q 7.75 4.60 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 11 G 8.29 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.76 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 0.00 0.00 0.00 14 S 7.63 4.37 0.00 3.78 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 15 V 8.30 4.28 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 0.90 0.00 0.00 0.93 0.00 0.00 16 T 8.00 4.55 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 17 K 8.65 3.99 0.00 1.89 1.83 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.47 7.81 18 K 8.09 4.47 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.35 7.81 19 R 8.42 3.49 0.00 1.99 2.03 0.00 3.33 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 20 K 8.66 3.78 0.00 1.88 1.84 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.41 7.81 21 L 7.80 4.16 0.00 1.58 1.50 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.87 4.25 0.00 1.93 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 0.00 2.20 2.27 0.00 23 S 7.98 3.47 0.00 3.99 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 24 S 8.20 4.62 0.00 3.84 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 25 E 8.68 3.81 0.00 2.16 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 2.21 2.26 0.00 26 S 8.35 4.62 0.00 3.79 3.81 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 0.00 0.00 0.00 0.00 27 R 7.64 4.60 0.00 1.68 1.71 0.00 3.17 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 28 S 8.36 4.42 0.00 3.80 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 29 S 8.32 4.25 0.00 3.69 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 30 F 8.62 4.05 0.00 3.05 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 9.19 4.52 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.77 4.14 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.77 0.00 33 H 9.20 5.00 0.00 3.03 3.15 0.00 5.59 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 34 A 8.03 5.06 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 35 R 8.94 4.36 0.00 1.73 1.84 0.00 3.18 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 36 T 8.43 4.38 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 37 S 8.59 4.80 0.00 3.81 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 0.00 38 G 7.59 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 0.00 0.00 0.00 0.00 39 R 8.42 4.49 0.00 1.91 2.14 0.00 3.16 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 40 V 8.02 4.62 2.47 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 0.86 0.00 0.00 0.82 0.00 0.00 41 A 9.23 4.86 1.20 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 42 V 8.57 3.72 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 0.61 0.00 0.00 0.91 0.00 0.00 43 E 8.64 3.87 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 44 E 8.76 4.58 0.00 2.07 1.72 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 2.17 2.13 0.00 45 V 8.05 4.15 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.59 0.00 0.00 46 D 7.45 4.00 0.00 1.58 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 0.00 0.00 0.00 47 E 8.91 4.05 0.00 2.37 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 2.03 2.25 0.00 48 E 8.27 4.03 0.00 2.16 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 0.00 2.39 2.26 0.00 49 G 8.43 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 50 K 8.23 4.43 0.00 2.09 2.35 0.00 2.11 0.00 0.00 2.09 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.74 1.59 7.81 51 F 7.24 5.43 0.00 2.13 2.53 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 52 V 8.52 3.97 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 0.63 0.00 0.00 -1.06 0.00 0.00 53 R 8.93 4.97 0.00 2.01 1.85 0.00 3.35 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 54 L 9.38 5.04 0.00 1.58 1.57 1.17 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 55 R 8.99 5.03 0.00 1.84 1.72 0.00 3.08 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.78 0.00 56 N 9.17 5.07 0.00 2.74 2.74 0.00 0.00 7.49 6.65 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 57 K 8.98 4.61 0.00 1.74 1.82 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.51 7.81 58 S 8.32 4.53 0.00 3.90 4.04 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 59 N 8.79 4.46 0.00 2.82 2.95 0.00 0.00 5.91 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 60 E 7.81 4.62 0.00 1.86 1.90 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 2.22 2.30 0.00 61 D 8.67 4.34 0.00 2.47 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.90 4.50 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 7.15 0.00 0.00 0.00 0.00 0.00 1.75 1.43 0.00 63 S 8.46 4.65 0.00 3.87 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 64 M 8.34 3.71 0.00 1.39 1.75 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.28 0.00 65 G 8.13 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.28 5.23 0.00 3.00 3.11 0.00 0.00 7.28 7.73 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 67 W 7.28 4.62 0.00 3.40 3.30 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 68 Q 9.99 5.19 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 69 I 8.85 5.00 2.11 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.14 0.88 0.00 0.00 70 R 9.32 4.82 0.00 1.75 1.91 0.00 3.09 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 71 R 9.51 5.05 0.00 2.48 2.34 0.00 3.47 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.83 0.00 72 Q 9.97 4.85 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 73 N 8.72 5.07 0.00 2.67 2.80 0.00 0.00 7.29 8.67 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 74 G 8.14 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 0.00 0.00 0.00 75 D 8.30 4.61 0.00 2.62 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 76 D 7.98 4.82 0.00 2.70 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 77 P 0.00 4.37 0.00 2.18 2.09 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 78 L 8.59 4.30 0.00 1.71 1.67 1.07 1.00 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 79 M 9.11 4.73 0.00 2.44 2.30 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 80 T 8.62 4.99 4.30 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 1.28 0.00 0.00 81 Y 9.07 3.69 0.00 1.43 2.53 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 82 R 7.84 4.45 0.00 1.90 1.67 0.00 3.40 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.00 0.00 83 F 8.97 4.11 0.00 3.03 2.88 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 84 P 0.00 4.50 0.00 2.36 2.25 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.10 0.00 85 P 0.00 4.60 0.00 2.24 2.24 0.00 3.76 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 2.02 2.01 0.00 86 K 7.78 4.83 0.00 1.65 1.81 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.48 7.81 87 F 8.12 4.75 0.00 3.21 2.88 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 88 T 7.42 4.61 4.04 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 1.07 0.00 0.00 89 L 8.97 4.15 0.00 1.61 1.30 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.41 4.20 0.00 1.68 1.70 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.37 7.81 91 A 8.41 4.00 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 92 G 8.12 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 7.47 4.58 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 94 V 8.00 5.11 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 0.70 0.00 0.00 0.98 0.00 0.00 95 V 9.29 4.83 2.29 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 0.92 0.00 0.00 1.37 0.00 0.00 96 T 9.24 4.78 4.51 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 0.34 0.00 0.00 97 I 8.78 4.75 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.67 0.18 0.00 0.00 98 W 9.71 5.15 0.00 3.54 3.32 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 99 A 9.11 5.00 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 0.00 100 S 8.75 4.02 0.00 3.94 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 0.00 101 G 8.18 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.22 4.51 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.09 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 0.00 0.00 0.00 104 A 7.30 4.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.37 4.15 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 1.13 0.00 0.00 106 H 8.93 4.16 0.00 3.10 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.16 4.64 0.00 4.02 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 0.00 108 P 0.00 5.45 0.00 2.24 2.15 0.00 3.31 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 109 P 0.00 4.52 0.00 1.97 2.09 0.00 3.77 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 1.87 1.84 0.00 110 T 7.45 3.88 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 1.23 0.00 0.00 111 D 8.81 5.35 0.00 2.90 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 0.00 112 L 9.78 5.36 0.00 1.85 1.76 1.20 1.00 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 0.00 113 V 8.58 4.82 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 0.94 0.00 0.00 1.10 0.00 0.00 114 W 9.61 4.64 0.00 3.24 2.77 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 0.00 115 K 9.05 3.90 0.00 1.84 1.86 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 116 A 8.28 4.00 1.47 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 0.00 0.00 0.00 117 Q 6.25 3.86 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.51 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 118 N 7.43 4.62 0.00 2.74 2.91 0.00 0.00 5.29 7.08 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 0.00 119 T 6.91 4.31 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 120 W 8.90 4.45 0.00 3.44 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.79 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 8.56 4.88 0.00 2.98 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 0.00 123 G 8.85 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 0.00 0.00 0.00 0.00 124 S 8.82 3.85 0.00 3.64 3.94 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 0.00 125 S 7.85 5.08 0.00 3.74 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 0.00 126 L 9.25 5.16 0.00 1.51 1.68 1.12 0.78 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 0.00 127 R 9.21 4.83 0.00 1.92 1.73 0.00 3.04 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 128 T 8.97 5.17 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 0.89 0.00 0.00 129 A 9.44 5.13 1.21 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 0.00 130 L 9.04 5.06 0.00 1.77 1.66 1.37 1.44 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 0.00 131 I 8.90 4.80 1.87 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 1.30 1.17 0.94 0.00 0.00 132 N 8.11 3.33 0.00 1.66 1.69 0.00 0.00 6.56 7.29 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 0.00 133 S 7.79 4.11 0.00 3.96 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 0.00 134 T 8.08 4.14 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 1.18 0.00 0.00 135 G 8.24 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 0.00 136 E 7.33 4.55 0.00 1.88 1.63 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 2.14 2.19 0.00 137 E 8.63 4.75 0.00 1.93 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 2.39 2.34 0.00 138 V 8.86 4.38 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 0.66 0.00 0.00 0.74 0.00 0.00 139 A 7.76 5.23 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.84 4.96 0.00 2.45 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 141 R 9.34 4.70 0.00 1.75 1.81 0.00 3.03 0.00 0.00 3.13 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 142 K 8.86 4.99 0.00 1.89 1.82 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.57 7.81 143 L 8.73 4.93 0.00 1.68 1.68 0.89 0.70 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 0.00 144 V 8.41 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 0.91 0.00 0.00 0.94 0.00 0.00 145 R 7.77 3.70 0.00 0.67 1.07 0.00 3.39 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 146 S 8.65 4.37 0.00 3.96 3.84 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 0.00 147 G 7.59 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.44 0.00 2.18 2.05 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 149 S 8.19 4.56 0.00 3.84 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 0.00 150 S 8.59 4.23 0.00 4.01 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 0.00 151 G 8.57 3.71 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 0.00 0.00 0.00