NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2870 8.2649 123.5850 51.0162 19.2363 175.6640 2 P 3.7897 0.0000 0.0000 63.3412 31.8409 170.8068 3 V 4.2226 8.3178 120.1882 60.6225 34.3309 175.5747 4 R 4.6145 8.5130 123.5106 55.3676 31.8403 175.5839 5 S 6.0707 8.9006 117.9055 55.9931 67.5920 172.8858 6 L 4.8125 8.3049 119.0137 54.8877 43.6676 174.3903 7 N 5.4780 8.9046 119.1946 52.9414 40.7639 173.7365 8 C 5.2649 8.8239 116.5118 57.9714 33.8640 172.2652 9 T 5.2311 8.8938 108.7886 59.9738 72.0134 172.8753 10 L 5.4361 8.5677 120.6037 53.2753 45.7998 176.2539 11 R 5.1130 8.6957 120.8440 54.3823 34.6921 174.9321 12 D 4.5326 8.6889 122.6831 52.3370 40.9555 177.3251 13 S 4.1148 8.1103 112.7778 60.4718 62.8525 174.9731 14 Q 4.3934 8.0180 119.0447 55.4526 28.5565 175.2584 15 Q 3.6125 7.9875 115.0901 56.8536 27.0366 173.4945 16 K 4.4131 8.4560 117.6176 55.8667 33.8807 176.7703 17 S 4.9878 8.9421 120.1269 57.6339 65.4446 172.8464 18 L 5.3646 8.3718 120.8228 53.5382 44.1056 176.1609 19 V 4.7038 8.7106 115.2680 59.7136 36.6021 174.7039 20 M 4.4947 8.4921 123.7580 55.2827 31.4906 175.8322 21 S 4.2816 8.6226 122.3087 58.3880 63.9057 177.7190 22 G 4.2285 7.4486 115.8564 44.6115 0.0000 172.4072 23 P 4.1365 0.0000 0.0000 65.0276 31.7433 176.5583 24 Y 4.9683 7.5227 115.3830 57.3117 39.3824 174.2926 25 E 4.8993 8.1363 118.7398 54.5177 33.8498 173.6662 26 L 5.3568 8.6305 124.1175 53.0147 45.4262 175.4793 27 K 5.2485 9.4264 120.6903 54.6066 36.8366 174.8521 28 A 5.4103 8.6429 123.4335 50.2938 21.8932 175.3268 29 L 4.5529 8.6265 120.6984 54.6153 44.5326 174.4536 30 H 4.5831 10.2897 119.5827 55.8676 28.8841 174.9167 31 L 4.8140 8.4948 124.9814 53.2552 44.8258 175.0314 32 Q 4.5927 8.3439 124.0394 55.8729 33.1267 176.4028 33 G 3.9719 8.4006 111.8120 46.4861 0.0000 176.2849 34 Q 3.9937 8.8038 121.3404 58.9576 28.7835 178.0069 35 D 4.3915 8.2660 118.2990 56.9939 41.4546 178.1184 36 M 3.8933 7.8987 119.1587 58.7836 32.1253 178.1289 37 E 4.0439 7.8262 115.9261 59.2960 29.8526 178.6173 38 Q 4.0828 8.4641 118.0331 58.4119 28.9397 177.0966 39 Q 4.2671 7.7229 114.7218 56.4867 28.8783 176.7104 40 V 3.5359 8.2127 120.4945 62.8135 32.3983 175.2535 41 V 4.3116 7.9322 127.1115 61.1786 33.4076 174.5836 42 W 5.0719 9.3660 128.0419 55.3615 31.9822 175.4818 43 S 5.0388 9.1141 117.6138 56.9469 63.9269 172.2485 44 M 4.5279 9.0371 128.8772 54.6732 33.4907 174.8302 45 S 5.2776 8.8135 122.2918 56.8629 66.0944 173.4865 46 F 4.6913 8.9232 123.5102 56.6896 39.1241 175.8162 47 V 4.4854 7.7379 116.7213 59.4276 34.0760 175.9379 48 Q 4.2479 8.9094 121.0402 55.3816 29.3112 176.9031 49 G 3.9875 8.3096 110.1467 44.4753 0.0000 171.4007 50 E 3.9310 8.2774 120.4761 56.3777 29.2558 175.2875 51 E 4.8328 8.5362 127.0538 54.5029 31.7456 174.3747 52 S 4.7609 8.5648 118.4225 56.4254 65.7570 173.2773 53 N 4.6558 8.6889 117.4529 54.2843 37.5285 174.9437 54 D 4.7998 7.9217 116.1421 52.6181 42.1583 174.5786 55 K 4.7440 8.1049 120.6133 55.0972 34.8843 174.0135 56 I 4.8855 8.5547 129.0715 58.5870 39.9625 173.5242 57 P 5.0114 0.0000 0.0000 62.9391 32.7445 175.7363 58 V 4.9166 9.5419 115.6373 59.8039 36.8848 173.7469 59 A 5.4838 8.7887 122.5544 49.2577 22.5226 175.2935 60 L 4.8747 8.8084 119.8461 52.9717 44.8060 175.9476 61 G 3.9566 8.6749 110.4972 43.7886 0.0000 171.3067 62 L 4.3211 7.9519 120.2949 53.4375 42.5948 177.4756 63 K 3.8357 8.5668 124.6356 57.6642 32.5064 178.0857 64 E 3.9510 8.9435 124.0401 56.3601 27.9775 174.2158 65 K 4.5516 7.2354 118.2331 54.3953 34.8268 176.8004 66 N 4.8554 8.3680 121.9672 51.9101 35.8605 173.8766 67 L 5.1286 7.2482 120.4408 54.0463 46.6442 176.4047 68 Y 5.2966 9.1040 120.5679 55.8800 42.2454 174.9440 69 L 4.8781 9.1214 122.8322 55.0837 42.5630 176.6188 70 S 4.9137 9.8799 117.2645 56.7758 66.4123 172.1633 71 C 5.4114 8.6286 123.3398 58.2992 29.8699 173.6905 72 V 4.7075 8.9834 116.5108 59.7096 36.6668 174.0583 73 L 4.5871 8.4349 121.9457 53.9412 41.1191 176.9428 74 K 4.1572 8.4462 124.5327 55.2865 33.8288 175.1653 75 D 4.3679 8.8840 127.9748 55.6333 38.6038 173.0577 76 D 4.4171 8.2136 110.7591 54.6092 38.9256 174.0845 77 K 4.3093 7.3123 118.1743 54.0955 36.0709 173.2446 78 P 3.7019 0.0000 0.0000 63.4040 31.5398 175.7484 79 T 4.7273 9.2065 120.6866 61.6919 73.1230 172.4964 80 L 5.2552 8.6682 126.9395 54.1033 43.5447 175.4165 81 Q 4.7830 9.2946 123.0678 54.9617 32.6780 173.1460 82 L 5.0719 8.6134 120.2866 53.8036 43.1318 175.7193 83 E 4.7235 9.6487 124.7538 54.3767 32.9189 174.8381 84 S 5.0971 8.6476 122.1162 58.3902 63.8996 173.7603 85 V 4.4543 7.9434 116.4917 58.8741 35.5239 175.0632 86 D 4.4205 8.6047 121.8142 53.7555 41.1472 175.2175 87 P 4.5284 0.0000 0.0000 64.6168 31.5691 177.2434 88 K 4.2438 8.7653 118.9871 58.6247 32.5120 177.3440 89 N 4.6347 8.0270 113.0228 53.5331 38.8851 174.4521 90 Y 4.5616 7.6008 115.4807 55.1978 41.4285 173.4360 91 P 4.7438 0.0000 0.0000 62.1533 32.8670 175.1152 92 K 4.5845 7.8209 115.8523 55.0158 35.3898 176.1512 93 K 3.9569 8.8388 120.1864 59.1339 32.0770 176.4496 94 K 4.4169 7.5827 120.6133 54.9775 30.9789 174.9329 95 M 4.4384 7.9338 122.7968 53.6094 33.5673 176.4500 96 E 4.1815 8.8142 120.6398 56.1854 30.6570 178.1772 97 K 3.8261 8.7043 122.8247 59.4978 32.5129 179.1397 98 R 3.7088 7.6765 114.5619 58.2629 29.8146 177.7820 99 F 4.7925 7.8785 116.5341 58.1355 39.7669 175.0565 100 V 4.3960 7.3461 122.2843 61.9670 32.7941 174.7832 101 F 5.2409 9.3914 125.9628 55.7564 43.3636 173.9094 102 N 5.1267 9.6024 120.9501 51.8672 39.9806 174.3463 103 K 4.3912 9.4797 127.7390 56.0580 33.4420 175.6020 104 I 5.3155 8.6133 128.4426 58.6554 40.4624 174.4108 105 E 5.0373 9.0482 125.2158 54.8853 31.5803 174.5757 106 I 4.0035 8.5902 117.8084 60.5961 37.1754 176.4655 107 N 4.1837 9.4130 115.2580 55.5063 38.7272 172.9787 108 N 4.9419 6.4239 112.5391 52.1754 40.0426 175.0366 109 K 4.6523 7.7596 119.1854 55.6096 35.0433 174.9083 110 L 4.9926 9.3073 120.9879 53.1791 45.4641 175.9953 111 E 5.0883 8.7505 120.3149 54.6328 34.1958 174.8846 112 F 5.1904 8.9535 121.5448 55.9192 41.6315 173.5941 113 E 4.7428 9.0001 126.0037 54.3741 31.3394 175.1780 114 S 4.1521 9.1049 122.5997 58.3179 62.3666 174.0177 115 A 3.9921 8.3618 129.6621 55.1317 18.2664 178.8210 116 Q 3.5153 7.8588 115.6035 58.3457 29.2836 175.9918 117 F 4.7114 7.7305 119.8896 54.3231 39.2152 172.6341 118 P 4.4308 0.0000 0.0000 64.1933 31.6726 176.2325 119 N 4.1215 9.3657 117.7200 53.7104 36.9429 173.6684 120 W 4.6654 7.7904 118.6989 55.1575 31.5344 174.6607 121 Y 5.4265 9.2013 122.4264 55.8514 41.2424 175.2557 122 I 4.3761 8.6483 123.3970 61.8938 37.6862 175.8276 123 S 5.0829 9.6063 123.1780 56.9399 67.6969 172.8827 124 T 5.0094 8.5149 110.7852 60.0464 72.1808 173.0752 125 S 5.0139 8.7394 116.7992 57.3839 63.4639 174.1705 126 Q 4.0633 8.8147 122.7871 58.7362 28.7731 177.3115 127 A 4.2118 7.6996 119.4800 51.8414 17.6842 176.3525 128 E 4.2719 8.5461 120.0396 56.5549 30.5890 175.7574 129 N 4.3003 8.1289 121.0656 54.9768 38.3059 173.7284 130 M 4.7275 7.1606 112.6834 52.5184 34.8306 174.2887 131 P 4.9660 0.0000 0.0000 62.8157 32.3145 176.4539 132 V 4.2673 8.8454 124.1166 62.9494 32.5060 174.9521 133 F 5.1365 8.9354 121.4208 55.6646 42.2787 172.3168 134 L 5.2136 9.0016 120.9668 53.8184 43.0141 175.6432 135 G 4.3527 9.7323 114.0900 44.5608 0.0000 173.5221 136 G 2.4241 7.7220 111.0701 44.5834 0.0000 173.3318 137 T 4.3623 7.3577 110.3694 59.4136 70.4586 173.2823 138 K 4.2301 8.4708 127.3791 55.3821 34.4537 175.3514 139 G 3.8334 8.6221 111.1445 46.6868 0.0000 172.6804 140 G 4.1581 7.0642 114.6515 45.3119 0.0000 175.3493 141 Q 4.1585 8.9759 123.7583 57.0949 28.9971 175.3403 142 D 4.9784 7.7828 116.3932 52.6232 43.1938 175.3305 143 I 4.2980 8.1297 122.6113 60.4797 38.5477 176.3279 144 T 5.1001 8.3839 114.6715 60.9604 70.4118 172.9456 145 D 5.4065 7.6712 121.6826 52.0493 42.6228 174.8472 146 F 5.5192 9.5621 118.9072 56.2667 44.1666 173.2963 147 T 5.0135 8.9212 109.2025 60.2288 72.0715 172.5262 148 M 4.9721 8.6121 121.5089 53.8777 35.0717 174.5424 149 Q 4.7791 8.6586 123.8663 54.0642 31.9117 175.0378 150 F 4.8238 9.2053 122.6593 57.4001 40.1471 175.2774 151 V 4.6927 8.3166 114.9481 59.0543 34.8130 177.0909 152 S 4.1412 8.9110 116.1559 58.9016 62.8152 174.3538 153 S 4.0860 8.2543 121.6842 59.1711 63.6401 171.1530 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 A 8.26 4.29 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 3.79 0.00 2.14 2.00 0.00 3.68 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 2.04 2.13 0.00 3 V 8.32 4.22 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 0.83 0.00 0.00 1.01 0.00 0.00 4 R 8.51 4.61 0.00 1.87 1.95 0.00 3.05 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 5 S 8.90 6.07 0.00 3.80 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 6 L 8.30 4.81 0.00 1.94 1.94 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.90 5.48 0.00 2.74 2.80 0.00 0.00 6.63 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 8 C 8.82 5.26 0.00 2.96 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 9 T 8.89 5.23 4.44 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 1.29 0.00 0.00 10 L 8.57 5.44 0.00 1.48 1.55 -0.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.70 5.11 0.00 1.73 1.80 0.00 3.28 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 12 D 8.69 4.53 0.00 2.28 2.39 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 13 S 8.11 4.11 0.00 3.95 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 14 Q 8.02 4.39 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 15 Q 7.99 3.61 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 16 K 8.46 4.41 0.00 1.89 1.73 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.77 1.20 7.81 17 S 8.94 4.99 0.00 3.79 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 18 L 8.37 5.36 0.00 1.76 1.71 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.71 4.70 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 0.71 0.00 0.00 0.99 0.00 0.00 20 M 8.49 4.49 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 21 S 8.62 4.28 0.00 3.81 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 22 G 7.45 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 0.00 0.00 0.00 0.00 23 P 0.00 4.14 0.00 1.29 1.90 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 24 Y 7.52 4.97 0.00 3.00 3.09 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 25 E 8.14 4.90 0.00 2.06 1.75 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 2.32 2.40 0.00 26 L 8.63 5.36 0.00 1.71 1.61 1.25 0.92 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 27 K 9.43 5.25 0.00 1.64 1.69 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.40 7.81 28 A 8.64 5.41 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.63 4.55 0.00 2.04 1.75 0.94 0.76 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 30 H 10.29 4.58 0.00 2.91 3.33 0.00 5.79 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 31 L 8.49 4.81 0.00 1.55 1.51 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.34 4.59 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 33 G 8.40 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 34 Q 8.80 3.99 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 35 D 8.27 4.39 0.00 2.94 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 36 M 7.90 3.89 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 37 E 7.83 4.04 0.00 2.12 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 2.34 2.34 0.00 38 Q 8.46 4.08 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 39 Q 7.72 4.27 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 40 V 8.21 3.54 1.71 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 -0.62 0.00 0.00 0.68 0.00 0.00 41 V 7.93 4.31 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 1.01 0.00 0.00 0.87 0.00 0.00 42 W 9.37 5.07 0.00 3.16 2.97 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 43 S 9.11 5.04 0.00 3.85 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 44 M 9.04 4.53 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.99 0.00 45 S 8.81 5.28 0.00 3.85 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 46 F 8.92 4.69 0.00 3.00 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 47 V 7.74 4.49 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 0.74 0.00 0.00 0.98 0.00 0.00 48 Q 8.91 4.25 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.10 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 49 G 8.31 3.99 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 0.00 0.00 0.00 50 E 8.28 3.93 0.00 1.94 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 2.30 2.24 0.00 51 E 8.54 4.83 0.00 1.99 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 2.23 2.32 0.00 52 S 8.56 4.76 0.00 3.81 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 53 N 8.69 4.66 0.00 2.89 2.93 0.00 0.00 5.70 8.06 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 54 D 7.92 4.80 0.00 2.68 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.10 4.74 0.00 1.83 1.72 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 56 I 8.55 4.89 2.01 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 1.36 1.21 1.17 0.00 0.00 57 P 0.00 5.01 0.00 2.16 2.21 0.00 3.73 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 2.28 2.04 0.00 58 V 9.54 4.92 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 0.50 0.00 0.00 1.06 0.00 0.00 59 A 8.79 5.48 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 60 L 8.81 4.87 0.00 1.19 0.93 -0.54 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.67 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 62 L 7.95 4.32 0.00 1.26 1.30 0.47 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.57 3.84 0.00 1.70 1.59 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.40 7.81 64 E 8.94 3.95 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 2.17 2.28 0.00 65 K 7.24 4.55 0.00 1.53 1.59 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.23 7.81 66 N 8.37 4.86 0.00 2.98 3.04 0.00 0.00 5.99 6.67 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 67 L 7.25 5.13 0.00 1.45 1.55 0.84 1.01 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 68 Y 9.10 5.30 0.00 2.80 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 69 L 9.12 4.88 0.00 1.64 1.78 0.29 1.14 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 70 S 9.88 4.91 0.00 3.80 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 71 C 8.63 5.41 0.00 2.75 3.07 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 0.00 0.00 0.00 0.00 72 V 8.98 4.71 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 0.72 0.00 0.00 0.95 0.00 0.00 73 L 8.43 4.59 0.00 1.51 1.53 0.94 0.52 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 74 K 8.45 4.16 0.00 1.69 1.59 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.32 7.81 75 D 8.88 4.37 0.00 2.81 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 76 D 8.21 4.42 0.00 2.83 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 77 K 7.31 4.31 0.00 1.74 1.48 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.14 1.31 7.81 78 P 0.00 3.70 0.00 0.49 0.49 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.50 0.00 79 T 9.21 4.73 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 1.25 0.00 0.00 80 L 8.67 5.26 0.00 1.81 1.71 1.15 0.74 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 81 Q 9.29 4.78 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 82 L 8.61 5.07 0.00 1.86 1.91 1.12 0.96 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 83 E 9.65 4.72 0.00 2.03 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 2.27 2.23 0.00 84 S 8.65 5.10 0.00 3.83 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 85 V 7.94 4.45 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 0.00 0.00 -0.00 0.00 0.00 0.64 0.00 0.00 86 D 8.60 4.42 0.00 2.77 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 87 P 0.00 4.53 0.00 2.26 2.21 0.00 3.86 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 2.03 2.02 0.00 88 K 8.77 4.24 0.00 1.92 1.92 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.57 7.81 89 N 8.03 4.63 0.00 2.72 2.63 0.00 0.00 6.83 7.19 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 90 Y 7.60 4.56 0.00 2.86 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 91 P 0.00 4.74 0.00 2.26 2.31 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 92 K 7.82 4.58 0.00 1.67 1.50 0.00 1.33 0.00 0.00 1.26 0.00 0.00 2.48 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.81 1.37 7.81 93 K 8.84 3.96 0.00 1.82 1.92 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.45 7.81 94 K 7.58 4.42 0.00 1.66 1.68 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.48 7.81 95 M 7.93 4.44 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 96 E 8.81 4.18 0.00 2.28 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 2.53 2.44 0.00 97 K 8.70 3.83 0.00 1.73 1.67 0.00 1.51 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.63 1.30 7.81 98 R 7.68 3.71 0.00 1.88 1.88 0.00 2.61 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.54 0.00 99 F 7.88 4.79 0.00 3.29 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 0.00 100 V 7.35 4.40 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 0.95 0.00 0.00 1.00 0.00 0.00 101 F 9.39 5.24 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 9.60 5.13 0.00 2.67 2.80 0.00 0.00 6.67 5.33 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 0.00 103 K 9.48 4.39 0.00 1.89 1.82 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 0.94 7.81 104 I 8.61 5.32 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.92 0.92 0.00 0.00 105 E 9.05 5.04 0.00 1.81 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 0.00 2.16 2.09 0.00 106 I 8.59 4.00 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.88 0.00 0.00 107 N 9.41 4.18 0.00 2.68 2.66 0.00 0.00 6.62 7.79 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 0.00 108 N 6.42 4.94 0.00 2.86 2.82 0.00 0.00 7.08 7.01 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 0.00 109 K 7.76 4.65 0.00 1.66 1.87 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.36 7.81 110 L 9.31 4.99 0.00 1.44 1.03 0.94 -0.04 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 0.00 111 E 8.75 5.09 0.00 1.84 1.84 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 2.30 2.17 0.00 112 F 8.95 5.19 0.00 2.84 2.87 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 0.00 113 E 9.00 4.74 0.00 1.75 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 2.07 1.68 0.00 114 S 9.10 4.15 0.00 3.94 4.13 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 0.00 0.00 0.00 115 A 8.36 3.99 1.18 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 0.00 0.00 0.00 0.00 0.00 116 Q 7.86 3.52 0.00 1.52 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.97 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.00 117 F 7.73 4.71 0.00 3.01 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 0.00 118 P 0.00 4.43 0.00 2.11 2.03 0.00 3.90 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 2.05 2.11 0.00 119 N 9.37 4.12 0.00 2.89 2.96 0.00 0.00 6.83 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 7.79 4.67 0.00 3.59 3.25 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 0.00 121 Y 9.20 5.43 0.00 2.83 2.93 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 0.00 122 I 8.65 4.38 1.87 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.74 0.00 0.00 123 S 9.61 5.08 0.00 2.72 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 0.00 124 T 8.51 5.01 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 125 S 8.74 5.01 0.00 4.09 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 0.00 126 Q 8.81 4.06 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 127 A 7.70 4.21 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 0.00 128 E 8.55 4.27 0.00 2.10 1.84 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 2.39 2.39 0.00 129 N 8.13 4.30 0.00 2.83 2.85 0.00 0.00 7.09 7.54 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 0.00 130 M 7.16 4.73 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.86 0.00 131 P 0.00 4.97 0.00 2.04 2.22 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 132 V 8.85 4.27 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 0.82 0.00 0.00 1.05 0.00 0.00 133 F 8.94 5.14 0.00 3.20 3.18 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 0.00 0.00 0.00 134 L 9.00 5.21 0.00 1.87 1.90 1.23 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.73 4.35 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 0.00 136 G 7.72 2.42 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 0.00 137 T 7.36 4.36 4.18 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 0.00 0.00 1.11 0.00 0.00 138 K 8.47 4.23 0.00 1.44 1.55 0.00 1.74 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.07 0.94 7.81 139 G 8.62 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 0.00 140 G 7.06 4.16 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 0.00 0.00 0.00 141 Q 8.98 4.16 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 142 D 7.78 4.98 0.00 2.73 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 0.00 143 I 8.13 4.30 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.59 0.00 0.00 144 T 8.38 5.10 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 1.12 0.00 0.00 145 D 7.67 5.41 0.00 2.69 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 0.00 146 F 9.56 5.52 0.00 2.99 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.92 5.01 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 148 M 8.61 4.97 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 149 Q 8.66 4.78 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 150 F 9.21 4.82 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.32 4.69 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 0.83 0.00 0.00 1.04 0.00 0.00 152 S 8.91 4.14 0.00 4.00 4.02 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 0.00 153 S 8.25 4.09 0.00 4.05 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