NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4625 8.3049 118.1970 55.0863 32.7381 174.2132 2 I 4.4220 8.0073 121.0384 59.4392 40.0146 172.9676 3 I 5.0105 8.6468 126.1434 59.6224 40.7520 174.4845 4 G 4.7560 9.2089 112.2797 44.8529 0.0000 170.8942 5 Y 6.1470 9.6309 118.1136 55.0012 42.0367 174.7463 6 F 5.7606 8.5489 115.5442 55.7750 41.3346 172.9975 7 D 4.7485 9.5991 119.0943 53.4745 45.0866 173.9323 8 G 4.6387 8.5180 108.2458 45.1045 0.0000 171.6954 9 L 4.9310 9.1574 120.9801 54.4533 44.7560 175.1498 10 C 5.2991 8.2847 119.8496 58.4678 33.3833 172.4785 11 E 4.9285 8.4673 125.1263 53.7766 33.5926 174.9260 12 P 4.5913 0.0000 0.0000 63.2332 32.1060 175.9504 13 K 4.6350 7.4299 117.7636 55.2649 35.8988 174.7894 14 N 4.7888 8.3364 117.8178 51.4636 41.1548 172.6184 15 P 4.7448 0.0000 0.0000 62.1387 33.2573 176.0461 16 G 4.0029 9.2097 105.0489 45.1628 0.0000 173.2126 17 G 4.0540 7.4883 107.4995 44.4763 0.0000 172.4675 18 I 4.6802 8.5550 123.6396 59.7240 39.4401 174.9529 19 A 5.8042 8.9314 129.6590 49.9915 20.6845 175.3026 20 T 5.1719 8.4957 111.3655 60.5360 73.1126 172.4068 21 F 5.4953 7.7015 116.0979 55.0703 42.2256 173.2348 22 G 4.7520 9.6080 104.4637 45.5777 0.0000 172.1838 23 F 5.8663 8.8703 116.0437 55.6686 41.9154 173.4200 24 V 4.9910 9.0922 118.5753 60.2992 35.1693 173.8532 25 I 4.7542 8.6644 123.5470 59.8285 40.5524 174.0056 26 Y 4.8165 8.8838 125.3966 56.6478 38.6519 175.8257 27 L 4.5310 8.7180 125.7116 52.9322 43.5741 176.8669 28 D 4.6493 8.6210 118.7583 57.7791 40.5768 179.4722 29 N 5.1719 7.8069 113.9599 52.3366 40.2458 174.2692 30 R 4.6445 7.9045 115.9708 54.7262 33.2915 172.7934 31 K 4.9042 8.5302 124.4279 54.6776 34.5959 174.8495 32 I 4.4373 8.6234 128.6052 59.7372 39.2888 174.5017 33 E 4.8996 8.5793 125.6815 54.6962 33.0951 175.0990 34 G 3.6070 7.8761 108.8750 45.5486 0.0000 170.8682 35 Y 5.3064 7.1773 116.7534 57.4093 41.9916 172.9234 36 G 3.8505 6.7456 105.4759 46.3447 0.0000 170.9457 37 L 5.0726 7.6840 120.8773 53.3834 43.6231 176.9523 38 A 4.6739 9.1785 128.6008 53.4477 20.0097 176.2622 39 E 4.7036 7.6925 112.7184 55.0239 33.7611 174.7099 40 K 4.0248 8.7001 121.8914 55.8859 32.5171 174.4032 41 P 4.4663 0.0000 0.0000 64.5024 31.6459 175.8095 42 F 4.3476 8.5499 119.7213 57.7617 37.2102 175.1979 43 S 4.6630 7.7675 114.6742 56.8924 63.2626 174.9610 44 I 3.6830 8.3412 125.5765 64.0633 37.8228 176.7253 45 N 4.5326 7.8158 115.8208 54.6405 38.8849 175.2767 46 S 4.3980 8.2890 117.1120 58.3029 63.2379 173.4387 47 T 5.7390 8.0702 116.2033 58.2147 73.0559 174.2550 48 N 4.3018 8.8702 119.3345 57.1714 38.9853 176.7526 49 N 4.4664 8.2239 117.3356 56.2541 38.6676 177.4605 50 V 3.6992 8.0394 119.7167 65.8600 31.6396 178.0090 51 A 4.2321 8.1909 120.6278 55.3219 18.3045 179.5004 52 E 4.1720 8.6852 117.4429 59.9256 29.4814 179.2409 53 Y 3.8594 8.4767 117.0569 61.1012 37.8265 178.8124 54 S 3.9902 8.3400 116.3839 61.2597 62.8663 176.9780 55 G 3.4157 7.9876 108.5219 47.4491 0.0000 175.5417 56 L 3.2542 7.6200 122.7236 57.6637 41.8811 179.1923 57 I 3.5202 7.6134 119.8648 64.5793 37.0533 177.8635 58 C 4.0250 7.8410 117.4522 59.4943 39.5451 175.9384 59 L 3.0891 7.1409 121.8237 58.2806 41.6473 179.0979 60 M 4.0170 7.7834 118.5133 58.2372 31.8274 178.6642 61 E 3.8908 8.3258 119.2789 59.5727 29.5653 179.5308 62 T 3.8861 7.8052 115.8232 66.8453 68.4875 176.6910 63 M 4.0616 8.0189 120.6508 58.2062 32.0595 178.5855 64 L 3.9165 8.0823 120.5687 58.3149 42.0839 179.2520 65 R 3.9550 7.8636 116.7251 59.1885 30.0584 178.6230 66 L 4.2667 7.8284 117.4717 55.6545 41.7245 178.0484 67 G 3.9346 7.7003 106.4160 45.4198 0.0000 173.4679 68 I 4.0496 7.5549 119.9457 60.6769 37.7775 175.5422 69 S 4.6064 7.9631 117.2237 57.4247 65.7856 173.2280 70 S 4.2220 8.9963 119.1253 57.8505 60.8720 170.4403 71 P 4.7891 0.0000 0.0000 62.4643 33.9854 175.6607 72 I 4.8159 8.5636 120.9084 59.6827 39.5188 174.8987 73 I 4.8665 8.8931 128.6265 59.4564 39.5715 174.9476 74 K 5.4041 8.1603 126.2504 54.0186 35.5852 175.3943 75 G 3.7472 8.1022 108.1741 45.5094 0.0000 173.2693 76 D 5.1242 8.2525 118.2166 52.4773 40.2217 177.6476 77 S 4.5261 7.5280 115.7295 57.5222 61.9705 173.5172 78 Q 4.0027 8.6639 130.4766 58.5224 28.9748 177.2866 79 L 4.1156 7.9704 121.1255 58.2954 42.1544 179.0262 80 V 3.4617 7.6582 117.5895 65.9921 31.3878 178.0246 81 I 3.7520 7.8970 119.5243 64.4988 36.9707 178.6915 82 K 3.8003 8.4006 119.6439 59.1741 31.6409 179.6373 83 Q 4.4660 8.0152 119.7473 58.8524 28.5089 178.4671 84 M 4.4086 8.2552 118.6684 58.2480 32.0540 177.6206 85 N 4.8145 8.2369 114.0395 52.7581 38.8439 175.7330 86 G 3.9673 7.8887 108.3148 46.2993 0.0000 174.6591 87 E 4.3388 8.5373 121.1728 56.8770 30.3954 176.3121 88 Y 5.0615 7.5951 115.4815 55.9321 40.7058 175.3703 89 K 4.2492 8.4492 122.6655 55.7989 33.2440 176.5053 90 V 4.2138 7.8864 120.2483 61.2242 32.7518 175.3345 91 K 4.3761 8.4137 124.6030 55.6151 34.6092 176.9736 92 A 3.9793 7.9359 121.2505 52.1466 18.8319 177.7486 93 K 3.7459 8.7884 124.8891 60.1462 32.2784 178.9966 94 R 4.0449 7.8561 117.0043 58.9327 30.3408 177.8970 95 I 3.8240 7.4995 119.2620 63.4824 37.2943 177.6339 96 I 3.6956 7.8734 121.5372 64.1813 37.1251 176.4200 97 P 4.2135 0.0000 0.0000 65.8709 30.9832 178.4030 98 L 3.8840 7.6567 118.2532 57.5135 41.5249 178.5660 99 Y 3.9725 7.9616 119.8384 60.8054 38.7544 178.0172 100 E 3.6358 8.3473 119.6144 59.0828 29.6181 179.3585 101 K 3.8536 7.9289 119.2951 59.3692 32.2018 178.8082 102 A 3.9307 8.1330 121.3081 55.1447 18.2522 179.6856 103 I 3.4762 7.7086 118.6544 64.5111 37.1103 178.5589 104 E 3.9435 7.8836 118.9992 59.2354 29.2339 179.4449 105 L 3.9526 7.7704 118.9096 57.4536 41.6670 179.2716 106 K 3.8580 8.2325 119.9518 59.4403 31.8677 179.0591 107 K 3.9531 7.7546 117.6235 59.4882 32.0975 179.3112 108 K 4.0726 7.9075 117.4475 58.9036 32.1994 178.6059 109 L 4.2714 8.1602 118.0838 53.7520 42.4046 176.0929 110 N 4.2818 8.1920 116.7900 54.3427 37.8086 173.3021 111 A 4.7268 7.8777 117.0231 51.7477 20.3220 177.8845 112 T 4.5665 8.5133 116.9671 61.7466 71.2647 173.3321 113 L 5.2016 8.5378 126.1078 53.2734 43.6485 175.9623 114 I 4.6991 8.8634 124.3682 59.1269 41.0066 174.4823 115 W 4.9322 8.9388 135.0000 57.1326 31.6860 175.6132 116 V 4.0049 7.4986 118.9197 58.1211 35.5939 173.7265 117 P 4.0611 0.0000 0.0000 62.1839 32.1023 177.1439 118 R 3.8959 8.6716 119.9954 59.6171 29.9052 178.2285 119 E 4.0910 8.0792 113.5426 58.1166 29.6711 176.9225 120 E 4.4829 8.0350 118.3195 56.2227 30.2296 175.3858 121 N 5.0061 7.8457 118.1098 52.7695 39.7817 176.5789 122 K 4.0370 8.1015 118.6700 58.6504 32.1723 178.5769 123 E 3.8743 7.9739 118.4655 59.5087 29.5621 179.0802 124 A 4.0919 7.8933 120.1743 55.0406 18.4672 178.9940 125 D 4.6102 7.9417 117.6885 56.9554 41.2999 178.3556 126 R 3.8575 8.1742 119.3655 59.5420 30.0630 178.5390 127 L 4.0257 7.8614 118.3091 57.8536 41.5001 179.5981 128 S 4.2733 8.2622 115.1745 61.7843 62.6849 177.0491 129 R 4.0651 8.0223 120.7818 58.9135 29.7438 179.1961 130 V 3.3965 7.6296 117.9902 65.8992 31.4244 177.9375 131 A 3.4896 7.3833 120.3492 54.9947 18.1586 178.7012 132 Y 4.0875 8.0142 118.0610 61.2256 38.9473 178.5126 133 E 3.8054 8.4057 119.3508 59.3280 29.4167 179.4194 134 L 3.9643 7.7616 119.1361 57.5215 41.6067 179.7091 135 V 3.8460 7.7862 119.8195 65.6363 31.2841 178.3868 136 R 3.8833 7.4999 116.4353 58.7628 29.9100 178.2932 137 R 4.3177 7.5225 114.9738 55.5664 30.3703 177.1938 138 G 3.8926 7.7678 106.8902 46.0962 0.0000 174.7374 139 K 4.2468 8.1804 118.2234 56.2382 32.6923 176.5292 140 L 4.6800 7.5978 121.1566 53.4370 44.0557 176.3018 141 R 4.7517 8.6341 119.4518 55.9601 31.0719 174.1148 142 D 5.0117 7.9369 117.3445 52.6864 43.6707 175.5238 143 I 4.2453 8.4818 124.1607 59.9996 37.8867 176.0588 144 G 4.1183 7.7177 114.3872 45.8354 0.0000 169.9254 145 C 5.2881 8.3954 116.5545 56.1493 43.0443 173.8475 146 I 4.6823 8.8130 122.4966 59.5604 40.3889 174.3262 147 I 4.6900 8.2363 127.2034 59.2114 39.3813 175.4853 148 L 4.2291 8.4013 128.0072 54.1993 42.4764 177.4579 149 T 4.0082 8.3202 111.5128 62.0467 68.7996 174.1899 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 4.46 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 I 8.01 4.42 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 1.02 0.00 0.00 3 I 8.65 5.01 2.03 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 1.28 0.81 0.94 0.00 0.00 4 G 9.21 4.76 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 5 Y 9.63 6.15 0.00 2.99 3.05 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 0.00 0.00 0.00 6 F 8.55 5.76 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.60 4.75 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.52 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.16 4.93 0.00 1.59 1.67 0.64 0.72 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 10 C 8.28 5.30 0.00 3.06 2.82 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 11 E 8.47 4.93 0.00 1.36 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 2.14 2.06 0.00 12 P 0.00 4.59 0.00 2.22 2.24 0.00 3.47 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 13 K 7.43 4.64 0.00 1.89 1.89 0.00 1.52 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.42 7.81 14 N 8.34 4.79 0.00 2.74 2.65 0.00 0.00 6.70 7.71 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 15 P 0.00 4.74 0.00 2.40 2.08 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 16 G 9.21 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 17 G 7.49 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.56 4.68 2.28 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 1.05 0.00 0.00 19 A 8.93 5.80 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 5.17 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 1.25 0.00 0.00 21 F 7.70 5.50 0.00 3.47 3.51 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 22 G 9.61 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.87 5.87 0.00 3.36 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 24 V 9.09 4.99 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 0.78 0.00 0.00 0.33 0.00 0.00 25 I 8.66 4.75 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.97 0.00 0.00 26 Y 8.88 4.82 0.00 2.93 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 27 L 8.72 4.53 0.00 1.76 1.66 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.62 4.65 0.00 2.68 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.81 5.17 0.00 2.64 2.76 0.00 0.00 6.59 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 30 R 7.90 4.64 0.00 1.80 1.72 0.00 3.12 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 31 K 8.53 4.90 0.00 1.80 1.62 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.11 0.95 7.81 32 I 8.62 4.44 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.92 0.00 0.00 33 E 8.58 4.90 0.00 1.75 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 2.15 2.16 0.00 34 G 7.88 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 35 Y 7.18 5.31 0.00 2.98 2.98 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 36 G 6.75 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 37 L 7.68 5.07 0.00 1.77 1.74 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 38 A 9.18 4.67 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 0.00 0.00 0.00 0.00 0.00 39 E 7.69 4.70 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 40 K 8.70 4.02 0.00 1.84 1.75 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.47 7.81 41 P 0.00 4.47 0.00 2.24 2.19 0.00 3.95 0.00 0.00 3.85 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 42 F 8.55 4.35 0.00 3.18 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 43 S 7.77 4.66 0.00 3.95 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 44 I 8.34 3.68 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 0.93 0.00 0.00 45 N 7.82 4.53 0.00 2.75 2.88 0.00 0.00 7.05 8.90 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 46 S 8.29 4.40 0.00 4.04 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 47 T 8.07 5.74 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 48 N 8.87 4.30 0.00 2.83 2.89 0.00 0.00 6.89 6.71 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 49 N 8.22 4.47 0.00 2.89 3.07 0.00 0.00 6.72 7.68 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 50 V 8.04 3.70 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.02 0.00 0.00 51 A 8.19 4.23 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.69 4.17 0.00 2.13 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 2.53 2.75 0.00 53 Y 8.48 3.86 0.00 3.25 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 54 S 8.34 3.99 0.00 3.95 3.46 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 0.00 55 G 7.99 3.42 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 0.00 56 L 7.62 3.25 0.00 0.27 1.32 0.29 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.61 3.52 1.80 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 1.43 0.60 0.78 0.00 0.00 58 C 7.84 4.02 0.00 2.53 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 59 L 7.14 3.09 0.00 1.60 1.65 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.78 4.02 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 61 E 8.33 3.89 0.00 1.86 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 2.24 2.51 0.00 62 T 7.81 3.89 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 63 M 8.02 4.06 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.56 0.00 64 L 8.08 3.92 0.00 1.82 1.78 0.89 0.89 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 65 R 7.86 3.96 0.00 1.98 1.98 0.00 3.26 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 66 L 7.83 4.27 0.00 1.80 1.73 0.95 1.07 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 67 G 7.70 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 68 I 7.55 4.05 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.92 0.00 0.00 69 S 7.96 4.61 0.00 3.76 3.66 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 70 S 9.00 4.22 0.00 3.97 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 71 P 0.00 4.79 0.00 2.12 2.19 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 72 I 8.56 4.82 1.85 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 1.22 1.02 0.86 0.00 0.00 73 I 8.89 4.87 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 1.04 0.00 0.00 74 K 8.16 5.40 0.00 0.79 1.25 0.00 1.17 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.12 0.84 7.81 75 G 8.10 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.25 5.12 0.00 2.72 2.61 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 77 S 7.53 4.53 0.00 4.15 3.92 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 78 Q 8.66 4.00 0.00 1.70 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.67 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 79 L 7.97 4.12 0.00 1.83 1.75 1.13 1.06 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 80 V 7.66 3.46 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 0.38 0.00 0.00 0.64 0.00 0.00 81 I 7.90 3.75 1.97 0.00 0.00 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 1.72 0.77 0.98 0.00 0.00 82 K 8.40 3.80 0.00 1.15 0.81 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.07 1.24 7.81 83 Q 8.02 4.47 0.00 2.49 2.21 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 2.54 2.74 0.00 84 M 8.26 4.41 0.00 2.01 2.35 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 2.59 2.95 0.00 85 N 8.24 4.81 0.00 2.74 2.83 0.00 0.00 7.10 7.57 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 86 G 7.89 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 0.00 0.00 0.00 87 E 8.54 4.34 0.00 1.71 1.88 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 2.23 2.18 0.00 88 Y 7.60 5.06 0.00 2.93 2.68 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 89 K 8.45 4.25 0.00 1.70 1.68 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 90 V 7.89 4.21 1.53 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 0.63 0.00 0.00 0.18 0.00 0.00 91 K 8.41 4.38 0.00 1.68 1.74 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.34 7.81 92 A 7.94 3.98 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 93 K 8.79 3.75 0.00 1.72 1.90 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 94 R 7.86 4.04 0.00 1.78 1.95 0.00 3.29 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 95 I 7.50 3.82 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 0.59 0.00 0.00 96 I 7.87 3.70 1.99 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 1.54 0.79 0.93 0.00 0.00 97 P 0.00 4.21 0.00 2.22 2.29 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 2.13 2.03 0.00 98 L 7.66 3.88 0.00 1.44 1.57 0.91 0.76 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 99 Y 7.96 3.97 0.00 2.69 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.35 3.64 0.00 1.99 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 2.39 2.71 0.00 101 K 7.93 3.85 0.00 1.86 1.87 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.39 7.81 102 A 8.13 3.93 1.40 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 0.00 0.00 103 I 7.71 3.48 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.30 0.75 0.00 0.00 104 E 7.88 3.94 0.00 2.03 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 2.45 2.43 0.00 105 L 7.77 3.95 0.00 1.79 1.62 0.81 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.23 3.86 0.00 1.83 1.91 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.52 7.81 107 K 7.75 3.95 0.00 1.89 1.82 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.62 7.81 108 K 7.91 4.07 0.00 1.83 1.84 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.65 7.81 109 L 8.16 4.27 0.00 1.70 1.67 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.19 4.28 0.00 2.94 2.81 0.00 0.00 6.91 8.07 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 0.00 111 A 7.88 4.73 1.19 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 0.00 0.00 112 T 8.51 4.57 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 1.21 0.00 0.00 113 L 8.54 5.20 0.00 1.52 1.65 0.89 0.76 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 0.00 114 I 8.86 4.70 1.84 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 1.13 0.81 0.93 0.00 0.00 115 W 8.94 4.93 0.00 3.27 3.12 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 0.00 0.00 0.00 116 V 7.50 4.00 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 0.56 0.00 0.00 0.76 0.00 0.00 117 P 0.00 4.06 0.00 2.28 2.01 0.00 3.46 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.84 0.00 118 R 8.67 3.90 0.00 1.87 1.98 0.00 3.19 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 119 E 8.08 4.09 0.00 2.07 2.03 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 2.20 2.23 0.00 120 E 8.03 4.48 0.00 1.98 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 2.20 2.13 0.00 121 N 7.85 5.01 0.00 2.70 2.62 0.00 0.00 7.19 5.88 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 0.00 122 K 8.10 4.04 0.00 1.77 1.80 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.61 7.81 123 E 7.97 3.87 0.00 1.84 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 2.35 2.36 0.00 124 A 7.89 4.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.94 4.61 0.00 2.87 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 0.00 126 R 8.17 3.86 0.00 2.00 2.11 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 127 L 7.86 4.03 0.00 1.97 1.93 0.95 0.76 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 0.00 128 S 8.26 4.27 0.00 4.05 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 0.00 129 R 8.02 4.07 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 130 V 7.63 3.40 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 0.64 0.00 0.00 0.89 0.00 0.00 131 A 7.38 3.49 1.12 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 0.00 0.00 0.00 0.00 0.00 132 Y 8.01 4.09 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.41 3.81 0.00 2.08 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 2.58 2.50 0.00 134 L 7.76 3.96 0.00 1.75 1.67 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.79 3.85 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 1.31 0.00 0.00 0.94 0.00 0.00 136 R 7.50 3.88 0.00 1.79 1.85 0.00 2.43 0.00 0.00 2.81 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.00 137 R 7.52 4.32 0.00 1.89 1.93 0.00 3.37 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 138 G 7.77 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 0.00 0.00 0.00 139 K 8.18 4.25 0.00 1.84 1.86 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.50 7.81 140 L 7.60 4.68 0.00 1.59 1.46 0.98 0.86 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 0.00 141 R 8.63 4.75 0.00 1.91 1.93 0.00 3.04 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 142 D 7.94 5.01 0.00 2.68 2.62 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 0.00 143 I 8.48 4.25 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 1.04 0.00 0.00 144 G 7.72 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 145 C 8.40 5.29 0.00 3.00 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 0.00 146 I 8.81 4.68 1.67 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 0.59 0.00 0.00 147 I 8.24 4.69 1.87 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 1.56 0.75 0.90 0.00 0.00 148 L 8.40 4.23 0.00 1.41 1.52 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.32 4.01 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 1.19 0.00 0.00