NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4117 8.2893 120.3486 55.3652 33.1048 174.7267 2 N 4.6584 8.5875 124.0339 51.4551 38.9233 172.9952 3 I 4.5896 8.7999 121.1407 59.5853 41.8938 176.3010 4 I 4.3551 8.3330 124.0123 59.6281 38.4216 175.1539 5 K 4.4408 8.5992 124.9182 54.3986 33.9623 176.2747 6 A 4.5467 8.3919 126.5306 50.8646 20.6625 175.1008 7 N 5.0490 8.1857 116.8446 51.9276 41.4582 175.6935 8 V 3.8940 8.1767 114.2422 62.6171 32.2855 176.7613 9 A 4.2733 8.1600 123.7047 52.0958 18.7205 178.0825 10 A 4.6485 8.3789 122.8798 51.2168 21.6922 174.0717 11 P 4.6552 0.0000 0.0000 65.4136 32.1782 179.5353 12 D 4.6133 8.0685 114.5214 53.1370 39.5248 178.1598 13 A 4.6793 7.6899 124.6812 52.8919 20.1502 178.3461 14 R 4.8356 9.6424 120.8862 55.1135 32.5633 175.8830 15 V 4.9342 8.8099 124.3026 59.9941 34.8806 173.9563 16 A 4.8518 8.4593 128.4073 50.0671 21.5994 175.1774 17 I 4.8180 8.7951 123.4870 59.5565 39.7489 174.6840 18 T 4.8470 8.6171 117.6469 59.9345 70.8458 173.3673 19 I 5.2147 8.3002 126.2448 58.1980 40.8074 174.3493 20 A 5.6834 8.6546 127.3109 50.4304 19.5077 177.9177 21 R 4.4497 9.0690 118.8945 58.4623 30.3803 176.8203 22 F 4.6109 8.1619 121.3138 59.8814 39.7165 174.3136 23 N 4.6496 9.8763 123.8667 54.5801 35.5649 176.1827 24 Q 4.1697 8.2804 120.2637 59.3879 28.1085 177.7947 25 F 3.7407 8.5056 121.5737 61.1856 39.4215 176.5009 26 I 4.1845 8.2564 118.7142 63.8808 37.5507 177.7390 27 N 4.3552 8.3236 116.6566 56.4404 38.2520 176.9603 28 D 4.5675 8.8858 121.0947 57.6010 40.9674 178.8089 29 S 4.0868 7.9589 113.0532 60.9291 62.4101 175.4513 30 L 4.0362 7.8228 123.3347 58.6271 41.6820 178.2976 31 L 3.8451 8.4589 120.4638 57.8346 41.9517 178.5783 32 D 4.5105 8.4560 118.5270 57.3747 40.9326 179.8098 33 G 3.5690 8.1184 105.7394 47.7442 0.0000 175.3517 34 A 4.0011 7.8234 123.4445 54.6877 18.4827 179.3430 35 V 3.4491 7.9538 116.8434 66.3220 31.5751 177.3022 36 D 4.3087 8.1602 117.1391 57.7758 40.9353 177.7571 37 A 3.9121 8.3034 120.8952 55.8877 18.3985 179.0219 38 L 3.8483 8.5368 116.3377 59.2883 41.8361 179.8832 39 T 4.1832 8.2900 110.7572 64.2083 68.6155 176.3230 40 R 3.8594 8.1910 123.6706 58.2432 30.6709 177.9992 41 I 4.0766 8.0465 117.3169 63.4938 37.8027 177.1354 42 G 3.7334 7.9345 106.5320 45.2440 0.0000 174.0060 43 Q 3.7000 8.2732 120.0262 56.5092 28.0326 172.7936 44 V 3.8632 7.4920 116.6622 61.9735 32.2328 175.1813 45 K 4.2694 8.5694 128.8461 56.2323 32.5794 176.5948 46 D 4.7096 8.8038 124.3860 54.0021 39.1412 176.1948 47 D 4.7979 7.9781 117.2095 53.7487 40.2293 176.3233 48 N 4.7176 8.5706 117.7632 53.7016 39.3894 174.1335 49 I 4.9640 7.5902 120.1851 60.3010 38.3885 175.2126 50 T 4.7106 8.8769 117.3567 59.7039 71.9220 172.9835 51 V 4.5686 8.4076 123.6216 61.0539 34.1434 174.5340 52 V 4.3133 9.0655 128.9558 60.8227 33.7691 174.4473 53 W 4.9019 8.9840 129.0590 56.4429 29.5834 176.4515 54 V 4.3753 8.7069 119.1884 58.9796 33.7777 174.6111 55 P 4.3226 0.0000 0.0000 65.0768 31.2795 177.1115 56 G 4.4125 7.9610 108.2278 42.8579 0.0000 174.0842 57 A 4.0562 8.4795 120.5094 54.8324 18.0819 179.2308 58 Y 4.2205 8.1623 117.0184 60.5521 39.2183 177.3131 59 E 4.1346 8.2115 119.1624 57.9503 29.6631 178.5705 60 L 3.8654 7.5843 119.4715 58.1419 41.6218 176.9938 61 P 4.1587 0.0000 0.0000 64.9379 31.1161 177.9344 62 L 3.8400 7.7199 117.8774 58.5039 42.2516 179.3627 63 A 3.9789 7.8432 120.2488 55.6008 18.3309 179.8298 64 T 3.8511 8.1535 108.4918 64.4837 68.7223 176.2797 65 E 3.8412 8.9250 122.6704 59.1692 29.6028 178.2651 66 A 4.0112 7.9383 120.6582 55.6319 18.1800 179.6585 67 L 4.0789 7.4917 114.8521 57.8355 41.8933 179.4724 68 A 4.2214 8.2924 120.8477 55.1604 18.2304 179.7675 69 K 3.8727 8.1569 116.1275 59.6845 32.1535 178.8654 70 S 4.1935 8.1642 112.9647 59.5714 62.0678 175.9800 71 G 3.9401 8.6035 110.2648 46.3380 0.0000 176.0300 72 K 3.5898 7.6912 120.4234 56.3132 31.8376 182.1261 73 Y 5.1239 6.9620 113.3105 56.9148 40.6965 175.4385 74 D 4.7375 9.2042 121.8939 55.6626 41.8295 176.4567 75 A 4.5364 7.3045 117.6731 51.2659 22.4584 175.0823 76 V 4.7349 8.2236 120.1350 61.0288 34.6252 174.4742 77 V 4.3922 8.8029 128.1828 61.4533 33.4911 174.1103 78 A 4.9760 8.5400 130.1008 49.6233 20.9738 175.1998 79 L 5.4590 7.9430 123.1711 52.5617 44.6311 176.3326 80 G 4.1964 7.7718 108.4465 45.9355 0.0000 171.8424 81 T 5.0574 8.4986 115.8715 61.5053 72.0887 174.3250 82 V 4.2267 9.1106 125.0798 61.3599 34.1305 173.9382 83 I 4.7448 8.1993 128.7847 59.5356 38.7355 175.9851 84 R 3.6394 8.4830 127.7628 56.5725 30.3106 176.3349 85 G 4.4285 8.3338 115.9942 44.2432 0.0000 172.8943 86 G 3.6427 8.7756 107.6009 47.4641 0.0000 173.4292 87 T 4.5182 7.5867 108.4068 59.7044 71.4344 173.5947 88 A 4.4422 8.3680 121.4720 52.7682 18.7313 178.6815 89 H 4.2715 8.2888 120.2636 60.2466 29.6469 176.8805 90 F 4.0197 8.4794 121.9260 61.5601 38.9757 176.6320 91 E 3.5844 8.0127 118.4601 59.5148 29.3771 178.3794 92 Y 4.3320 7.3705 115.8875 60.7441 38.2674 177.5079 93 V 3.6622 7.7047 119.4248 65.8370 31.5756 177.7584 94 A 4.0828 7.7852 120.3839 55.2284 18.0683 179.6993 95 G 3.6141 8.0875 104.6072 47.7886 0.0000 176.1046 96 G 3.8577 8.6250 108.3769 45.9123 0.0000 174.8186 97 A 4.2807 7.7344 122.5226 54.3580 19.6867 179.1354 98 S 4.1440 8.2743 111.8561 61.8582 62.3911 176.2552 99 N 4.4491 8.5449 119.4633 55.9734 38.3252 177.3572 100 G 3.7290 7.7662 107.0783 48.0735 0.0000 175.4200 101 L 3.9868 8.0551 121.5858 57.2508 41.8270 179.5560 102 A 3.9793 8.0250 120.4983 55.1687 18.2266 179.5989 103 S 3.9350 8.2703 111.5686 61.5084 62.4664 176.1284 104 V 3.5427 7.7357 120.7585 66.2634 31.1091 177.6797 105 A 4.3378 7.8454 121.2720 54.7840 18.0030 179.3888 106 Q 3.8916 7.7012 116.5281 59.2806 29.1483 177.9258 107 D 4.5148 8.0730 119.3417 57.1282 41.2247 178.5009 108 S 4.3512 8.3436 112.8435 58.6989 63.4772 175.6474 109 G 3.9012 8.1455 109.5834 45.7136 0.0000 173.7643 110 V 3.9579 7.5393 121.1496 61.6147 32.9765 173.6272 111 P 4.5005 0.0000 0.0000 62.7263 32.4855 175.1507 112 V 4.8596 8.3999 123.4653 61.0250 34.0797 174.2218 113 A 4.4591 8.8119 130.1967 50.8934 20.4373 176.2853 114 F 4.8231 9.0066 126.8283 56.3010 38.2019 175.8441 115 G 3.9332 8.0577 117.4866 44.7682 0.0000 170.8079 116 V 4.5321 6.0910 117.4349 60.6121 33.9709 176.0649 117 L 4.2472 8.7183 129.4523 55.0983 42.7229 176.6375 118 T 5.4405 8.7616 112.9535 58.6513 68.7418 172.5718 119 T 4.5991 8.1308 120.7821 60.9717 72.1230 175.1417 120 E 4.0626 9.9624 121.3144 57.4578 30.5674 177.4083 121 S 4.7162 7.6015 111.8840 55.5651 67.6454 174.7853 122 I 3.6949 8.2449 123.3009 64.3260 36.6880 177.9707 123 E 3.9232 8.2544 119.8119 59.7809 29.1124 179.0153 124 Q 4.1532 7.9152 115.9686 58.7910 29.1750 178.1870 125 A 4.1637 7.8735 121.3531 55.4107 18.3096 179.7096 126 I 3.7567 7.8981 118.1710 64.6808 37.1237 178.5501 127 E 4.5405 8.0093 120.5871 58.1010 29.2772 178.4352 128 R 4.5286 7.8665 115.4118 55.6856 30.4774 176.7259 129 A 4.8010 7.2110 121.8624 52.6632 19.4922 177.0867 130 G 4.4630 7.8896 107.8975 48.2039 0.0000 175.4207 131 T 4.6290 7.5103 115.6604 60.0834 68.7963 175.7184 132 K 3.7785 9.2590 117.0771 59.3181 31.7515 177.8104 133 A 4.5703 7.8103 119.4057 52.0491 20.0484 178.8580 134 G 3.7508 8.0661 110.7087 47.2866 0.0000 173.8492 135 N 5.2516 8.2312 117.4358 50.8784 40.8870 175.4735 136 K 3.9514 8.9386 128.8675 59.1813 32.1350 179.0448 137 G 4.0525 8.2538 107.5627 47.3656 0.0000 175.5601 138 A 4.0583 7.8966 123.4137 54.3893 18.4202 179.2298 139 E 3.8421 8.5106 117.9065 59.3448 29.7437 178.8983 140 A 4.0399 8.6162 122.4186 54.4103 18.4047 179.3292 141 A 3.8959 8.1020 119.3226 55.3264 18.3972 179.8631 142 L 3.9024 8.0409 117.5892 58.2745 41.2733 179.9476 143 T 3.8388 8.1170 109.3194 64.6062 68.4376 176.1008 144 A 3.9763 7.9320 123.8424 55.0578 18.4804 179.1066 145 L 3.8763 7.8826 116.9671 58.1841 41.8596 179.2673 146 E 4.1812 8.2919 120.1938 59.1017 29.4100 178.9790 147 M 4.0642 8.0052 118.1708 58.3850 31.9319 178.4878 148 I 3.6976 7.6890 119.9093 64.8019 37.2815 178.2254 149 N 4.3252 7.9965 116.4547 56.1984 38.1635 177.5481 150 V 3.5773 7.9847 119.0129 66.1700 31.7530 177.8668 151 L 4.0756 8.4036 118.9211 57.6654 41.3669 179.1786 152 K 3.8479 8.1350 118.7970 59.5473 32.1169 176.9558 153 A 4.4831 8.0347 120.0402 51.7818 19.4437 177.2423 154 I 3.8856 7.8543 120.9780 63.1880 37.7316 173.9717 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 8.29 4.41 0.00 1.99 2.06 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 2.54 0.00 2 N 8.59 4.66 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.80 4.59 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.36 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.91 0.00 0.00 5 K 8.60 4.44 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.55 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 7 N 8.19 5.05 0.00 2.73 2.64 0.00 0.00 6.87 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 8 V 8.18 3.89 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.16 4.27 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 10 A 8.38 4.65 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 11 P 0.00 4.66 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 12 D 8.07 4.61 0.00 2.72 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 13 A 7.69 4.68 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 14 R 9.64 4.84 0.00 1.43 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.81 4.93 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 0.96 0.00 0.00 0.95 0.00 0.00 16 A 8.46 4.85 0.34 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 17 I 8.80 4.82 1.68 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 1.16 0.88 0.74 0.00 0.00 18 T 8.62 4.85 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 1.09 0.00 0.00 19 I 8.30 5.21 0.72 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.46 0.44 0.00 0.00 20 A 8.65 5.68 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 21 R 9.07 4.45 0.00 2.09 2.53 0.00 3.07 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.69 0.00 22 F 8.16 4.61 0.00 3.18 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 23 N 9.88 4.65 0.00 2.98 2.99 0.00 0.00 6.89 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 24 Q 8.28 4.17 0.00 2.54 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.51 3.74 0.00 3.14 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 26 I 8.26 4.18 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.79 0.95 0.00 0.00 27 N 8.32 4.36 0.00 2.87 2.93 0.00 0.00 7.07 8.08 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 28 D 8.89 4.57 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.96 4.09 0.00 3.82 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 30 L 7.82 4.04 0.00 1.93 1.64 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.46 3.85 0.00 1.77 1.78 0.78 1.06 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 32 D 8.46 4.51 0.00 2.87 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 33 G 8.12 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.82 4.00 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 35 V 7.95 3.45 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 0.98 0.00 0.00 0.92 0.00 0.00 36 D 8.16 4.31 0.00 2.83 2.89 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 37 A 8.30 3.91 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 38 L 8.54 3.85 0.00 1.85 1.72 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.29 4.18 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 1.27 0.00 0.00 40 R 8.19 3.86 0.00 1.81 2.24 0.00 3.24 0.00 0.00 3.59 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 8.05 4.08 2.09 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.91 0.00 0.00 42 G 7.93 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 0.00 0.00 0.00 43 Q 8.27 3.70 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.49 3.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.03 0.00 0.00 45 K 8.57 4.27 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.71 0.00 2.83 2.75 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 47 D 7.98 4.80 0.00 2.79 2.81 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 48 N 8.57 4.72 0.00 2.87 3.00 0.00 0.00 6.92 7.52 0.00 0.00 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 I 7.59 4.96 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.89 0.00 0.00 50 T 8.88 4.71 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 1.48 0.00 0.00 51 V 8.41 4.57 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 0.51 0.00 0.00 0.84 0.00 0.00 52 V 9.07 4.31 1.98 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.98 4.90 0.00 3.21 3.20 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 54 V 8.71 4.38 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 0.76 0.00 0.00 1.01 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.30 0.00 3.75 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 2.16 2.05 0.00 56 G 7.96 4.41 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 0.00 57 A 8.48 4.06 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 Y 8.16 4.22 0.00 2.92 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 59 E 8.21 4.13 0.00 1.99 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 2.62 2.57 0.00 60 L 7.58 3.87 0.00 1.75 1.69 0.87 1.12 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 61 P 0.00 4.16 0.00 2.02 1.85 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 62 L 7.72 3.84 0.00 1.62 1.67 0.91 1.01 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 63 A 7.84 3.98 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 64 T 8.15 3.85 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 65 E 8.93 3.84 0.00 2.00 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 0.00 2.31 2.33 0.00 66 A 7.94 4.01 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 67 L 7.49 4.08 0.00 1.76 1.70 0.65 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.29 4.22 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.16 3.87 0.00 1.74 1.91 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.61 7.81 70 S 8.16 4.19 0.00 3.90 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 71 G 8.60 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 0.00 0.00 0.00 72 K 7.69 3.59 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.96 5.12 0.00 2.75 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 74 D 9.20 4.74 0.00 2.55 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.30 4.54 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 76 V 8.22 4.73 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 0.96 0.00 0.00 0.86 0.00 0.00 77 V 8.80 4.39 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.54 4.98 1.16 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 79 L 7.94 5.46 0.00 1.37 1.39 0.84 0.63 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 G 7.77 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 0.00 0.00 0.00 0.00 81 T 8.50 5.06 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 1.19 0.00 0.00 82 V 9.11 4.23 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 0.91 0.00 0.00 0.87 0.00 0.00 83 I 8.20 4.74 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 1.24 0.70 0.84 0.00 0.00 84 R 8.48 3.64 0.00 0.67 1.38 0.00 3.07 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.33 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.78 3.64 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 87 T 7.59 4.52 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 1.24 0.00 0.00 88 A 8.37 4.44 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 89 H 8.29 4.27 0.00 3.22 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.02 0.00 3.10 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 91 E 8.01 3.58 0.00 1.93 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 2.01 2.18 0.00 92 Y 7.37 4.33 0.00 2.99 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 93 V 7.70 3.66 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 1.04 0.00 0.00 0.73 0.00 0.00 94 A 7.79 4.08 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 0.00 0.00 0.00 95 G 8.09 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 96 G 8.62 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 97 A 7.73 4.28 1.48 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 98 S 8.27 4.14 0.00 3.72 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 99 N 8.54 4.45 0.00 2.87 2.83 0.00 0.00 6.95 8.34 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 0.00 100 G 7.77 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 0.00 0.00 0.00 101 L 8.06 3.99 0.00 1.90 1.82 1.05 0.92 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 0.00 102 A 8.03 3.98 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 0.00 103 S 8.27 3.93 0.00 3.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.74 3.54 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 1.04 0.00 0.00 0.94 0.00 0.00 105 A 7.85 4.34 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 0.00 106 Q 7.70 3.89 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.07 4.51 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 0.00 108 S 8.34 4.35 0.00 4.02 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 0.00 109 G 8.15 3.90 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 0.00 0.00 0.00 110 V 7.54 3.96 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 1.00 0.00 0.00 1.03 0.00 0.00 111 P 0.00 4.50 0.00 2.12 1.97 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.40 4.86 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 0.81 0.00 0.00 0.96 0.00 0.00 113 A 8.81 4.46 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 0.00 114 F 9.01 4.82 0.00 3.01 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 0.00 115 G 8.06 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 0.00 116 V 6.09 4.53 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 0.69 0.00 0.00 -0.09 0.00 0.00 117 L 8.72 4.25 0.00 1.62 1.58 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.76 5.44 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 119 T 8.13 4.60 4.41 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 1.22 0.00 0.00 120 E 9.96 4.06 0.00 1.94 1.92 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 2.31 2.30 0.00 121 S 7.60 4.72 0.00 3.95 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 0.00 122 I 8.24 3.69 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.86 0.00 0.00 123 E 8.25 3.92 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 124 Q 7.92 4.15 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 125 A 7.87 4.16 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 0.00 126 I 7.90 3.76 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.91 0.99 0.00 0.00 127 E 8.01 4.54 0.00 2.19 2.01 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 2.34 2.40 0.00 128 R 7.87 4.53 0.00 1.89 1.94 0.00 3.11 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 1.58 1.63 0.00 129 A 7.21 4.80 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 0.00 130 G 7.89 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.51 4.63 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 1.27 0.00 0.00 132 K 9.26 3.78 0.00 1.77 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 A 7.81 4.57 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 0.00 134 G 8.07 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 0.00 135 N 8.23 5.25 0.00 2.70 2.65 0.00 0.00 6.93 7.27 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 0.00 136 K 8.94 3.95 0.00 1.82 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.25 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 0.00 138 A 7.90 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.51 3.84 0.00 2.03 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 2.31 2.33 0.00 140 A 8.62 4.04 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 0.00 141 A 8.10 3.90 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 0.00 142 L 8.04 3.90 0.00 1.98 1.72 0.91 0.50 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 0.00 143 T 8.12 3.84 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 1.27 0.00 0.00 144 A 7.93 3.98 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 0.00 145 L 7.88 3.88 0.00 1.85 1.89 1.00 0.89 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 0.00 146 E 8.29 4.18 0.00 2.02 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 2.32 2.24 0.00 147 M 8.01 4.06 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.90 0.00 148 I 7.69 3.70 2.05 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 1.69 0.86 0.92 0.00 0.00 149 N 8.00 4.33 0.00 2.95 2.86 0.00 0.00 6.71 8.34 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 0.00 150 V 7.98 3.58 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 0.83 0.00 0.00 0.98 0.00 0.00 151 L 8.40 4.08 0.00 1.93 1.69 0.93 0.77 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 0.00 152 K 8.13 3.85 0.00 1.83 2.10 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 8.03 4.48 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 0.00 154 I 7.85 3.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.91 0.00 0.00