NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4956 8.1693 120.6417 55.0251 43.1224 175.4736 8 H 4.9463 8.4924 115.0815 53.4528 31.6878 171.1930 9 K 4.6275 9.4156 120.8490 55.7886 33.8523 177.1741 10 E 4.9786 9.1597 123.2796 53.6873 33.4880 173.8297 11 P 4.9970 0.0000 0.0000 63.2577 32.4485 174.9220 12 A 4.9521 8.4001 121.5657 51.4158 23.0330 175.5664 13 T 4.6625 8.5130 114.9834 61.2708 72.4234 173.8044 14 L 4.2401 8.6745 127.8723 55.9404 42.2787 175.6454 15 I 4.3504 8.5258 126.7302 62.3742 38.7360 175.9848 16 K 4.5642 7.6404 120.6701 55.3004 35.6056 173.8302 17 A 4.6679 8.6639 130.3247 51.6489 19.6081 177.0622 18 I 4.1478 8.2341 123.5583 62.7813 38.4009 174.8816 19 D 4.5357 7.5802 117.5375 53.1046 43.9120 175.5128 20 G 3.7097 8.8887 109.3301 48.2263 0.0000 173.8433 21 D 5.0214 8.0955 116.1952 52.8093 41.5056 175.3501 22 T 5.1901 7.8709 115.8878 62.3435 72.1432 173.3967 23 V 4.8493 8.9197 118.8288 59.4251 36.6777 174.2776 24 K 4.9829 9.1910 125.4046 55.2849 33.7439 175.3503 25 L 5.3569 9.4414 126.7227 53.0969 46.6568 175.3092 26 M 4.9068 9.2106 122.1875 55.0669 33.5264 174.2986 27 Y 4.9749 8.9031 127.8277 56.0478 42.0119 175.6327 28 K 3.7102 9.2394 127.1356 57.5096 29.6941 175.9410 29 G 3.9482 8.2235 103.1215 45.8490 0.0000 173.2250 30 Q 4.8162 7.7571 118.7948 53.1236 32.0020 173.4066 31 P 4.9387 0.0000 0.0000 62.9669 32.3918 175.5326 32 M 4.8607 9.4311 123.2645 54.3117 36.3857 173.6896 33 T 4.7878 8.5399 122.0544 63.2111 70.2565 173.4086 34 F 5.0393 9.8594 125.8185 55.6225 42.0865 174.3685 35 R 4.9179 8.9739 123.9936 54.6394 31.8208 175.2399 36 L 4.4806 8.8553 127.7557 54.3999 42.5275 177.1618 37 L 3.9280 8.7473 124.9215 55.8082 42.8014 178.1460 38 L 3.8356 8.9701 120.7822 55.0936 39.2971 174.0011 39 V 4.9892 7.3623 110.0551 59.5991 35.4178 174.7877 40 D 5.0298 9.2671 124.5606 52.8972 43.0045 175.7066 41 T 4.8579 8.0942 113.6831 59.0255 71.1905 173.1121 42 P 4.4223 0.0000 0.0000 62.9501 32.2422 175.5336 43 E 4.7023 10.4787 120.9109 55.1140 31.8819 176.7172 44 T 4.1949 8.2673 108.8637 62.0067 69.7605 174.9591 45 K 4.3052 9.2414 121.4688 56.6533 32.5061 173.9130 46 H 4.6802 8.5322 129.1281 54.5971 31.7739 173.4428 47 P 4.4000 0.0000 0.0000 65.7540 31.3144 178.2069 48 K 4.2239 7.9141 121.5010 57.1152 29.8235 175.6431 49 K 4.5298 9.4798 128.0092 55.7077 30.3049 177.6754 50 G 3.7647 8.3194 110.5165 46.4564 0.0000 176.0381 51 V 4.0174 8.1795 127.1588 61.6141 31.3191 175.5681 52 E 4.3088 8.7629 128.1195 55.2992 31.0378 176.4579 53 K 3.9850 8.3560 122.9128 58.1330 32.2320 176.8046 54 Y 4.3520 8.1080 122.1811 59.1321 36.2127 171.5076 55 G 3.7293 8.2874 107.8624 47.4209 0.0000 174.2903 56 P 4.2901 0.0000 0.0000 64.9092 31.4306 178.6658 57 E 3.9941 8.1916 116.8228 59.4664 29.5489 178.9858 58 A 4.0152 8.3610 121.1455 55.2919 18.5369 179.6762 59 S 4.1546 8.4246 111.5667 61.4501 62.4821 176.2662 60 A 4.0718 8.4419 123.8934 54.7491 18.0339 179.3820 61 F 3.9182 8.4767 119.3736 61.9001 39.5580 177.4642 62 T 3.9407 8.1555 115.3553 66.4967 68.1513 176.5273 63 K 3.9343 7.9823 121.1164 59.5679 32.2595 179.1107 64 K 3.9365 8.4652 119.1987 59.4916 31.7003 179.1057 65 M 3.8662 7.7491 117.8079 58.5394 32.4867 178.0217 66 L 4.1328 7.9650 119.1598 57.7643 41.6407 179.2826 67 E 4.0789 8.4039 117.8834 58.5949 29.3989 178.0303 68 N 4.7086 7.7264 114.0994 52.0418 39.2605 174.9283 69 A 4.5268 7.0086 123.6450 51.5597 19.5315 178.5941 70 K 4.1763 8.8964 121.5163 58.8492 32.5353 178.2124 71 K 4.7128 8.7907 117.6717 54.5811 36.5018 175.5308 72 I 4.9919 8.4196 124.4324 59.6125 40.2903 174.3729 73 E 5.1565 9.1679 124.7435 54.6788 33.8549 175.0791 74 V 4.7569 8.9973 115.5862 59.5313 35.3857 174.7026 75 E 5.0321 9.0056 124.2353 54.4334 32.2599 174.8838 76 F 4.6519 8.8822 125.9858 57.6855 39.9885 175.9630 77 D 4.9815 8.4691 121.3302 53.6210 43.2311 175.7071 78 K 4.3179 9.1142 116.7960 58.2420 33.2075 178.4114 79 G 4.1922 8.2587 111.3222 44.8648 0.0000 173.7351 80 Q 4.1699 8.5918 122.0543 56.4591 29.4787 176.4130 81 R 4.7666 8.4262 117.1698 56.4837 31.8478 175.6069 82 T 5.2009 7.7352 108.2820 60.0979 72.3941 173.3409 83 D 4.9932 8.5135 123.0551 51.7539 42.2952 176.8348 84 K 3.9180 8.6284 116.3587 59.2331 32.6236 176.8778 85 Y 4.3653 8.2816 116.6913 57.7470 38.0257 176.4994 86 G 3.9492 8.3341 108.8184 45.0789 0.0000 174.0017 87 R 4.3298 7.9135 119.1929 55.2409 31.7872 176.3427 88 G 3.4905 8.4080 110.7742 46.1927 0.0000 172.6125 89 L 5.3098 8.8511 123.6962 53.1395 43.0321 175.6047 90 A 4.5113 8.4250 124.7873 50.7250 23.5620 174.0141 91 Y 4.8355 8.7283 117.5943 57.1096 39.7697 175.1696 92 V 4.7058 8.6813 123.9512 61.2297 34.4986 173.6600 93 Y 5.1397 9.2363 125.2293 56.0916 41.0083 174.4277 94 A 4.9648 9.2472 125.8461 50.3154 21.4350 176.3031 95 D 4.3456 9.9156 124.7566 55.7640 39.1401 175.3544 96 G 3.9839 8.5984 105.1405 45.2000 0.0000 173.6303 97 K 4.5609 8.0781 120.4495 54.5430 33.9913 175.3012 98 M 3.9240 8.4923 123.4269 55.0183 33.0910 177.0449 99 V 3.6390 8.7702 127.2445 66.1147 31.4273 177.7339 100 N 4.3225 7.9684 115.8426 56.2817 38.4765 176.8352 101 E 3.8659 8.0431 119.9614 59.0919 29.8780 178.3568 102 A 4.0660 8.1396 120.8780 55.3047 18.3943 179.5797 103 L 3.4572 8.1038 117.4149 57.7957 41.6702 180.0318 104 V 3.7300 7.4681 117.8794 65.9968 31.2803 178.0840 105 R 3.9183 8.3088 117.7470 59.1797 29.9818 177.5918 106 Q 4.2843 7.7440 115.1575 55.2735 29.1099 176.1715 107 G 3.8720 8.0697 108.7814 46.6583 0.0000 174.6541 108 L 4.3810 7.7993 116.7157 53.7468 42.3621 176.1200 109 A 4.7189 7.5205 118.8445 50.8537 22.0529 176.2037 110 K 4.8145 8.7151 119.5620 54.9869 35.6125 175.9495 111 V 4.2239 8.8760 122.6288 62.9830 31.9757 175.9358 112 A 4.5613 8.8250 130.5132 51.2003 19.7580 176.2851 113 Y 3.7973 8.4491 120.4771 57.6703 39.1571 175.3439 114 V 3.9475 7.5706 126.9590 61.9174 32.9459 174.6256 115 Y 4.7699 8.2225 123.3987 55.8797 39.4909 175.4941 116 K 4.4983 8.7091 125.0208 56.0464 32.7708 175.1012 117 P 4.8121 0.0000 0.0000 63.1022 31.8216 176.9366 118 N 4.9328 8.3971 119.0900 52.3115 36.9250 175.3648 119 N 5.1140 7.7914 114.3414 53.1368 38.8228 177.6789 120 T 3.8260 8.5224 117.4856 68.0555 68.6758 175.1956 121 H 4.8148 7.8180 117.0996 55.9856 29.0192 177.1663 122 E 3.9578 8.4003 123.3151 59.6760 29.3344 178.8595 123 Q 3.9540 8.0128 117.5530 59.0744 28.9523 177.6700 124 H 4.1582 8.3134 118.8354 59.5866 29.7476 177.0869 125 L 3.9449 7.9458 120.4903 57.8331 41.4097 179.6897 126 R 4.0013 8.3016 118.2249 58.9139 29.9823 179.3116 127 K 3.9168 8.1898 118.5509 59.7275 32.1337 179.6178 128 S 4.1367 7.7895 114.8536 61.3947 62.6743 176.3962 129 E 3.9807 8.5842 122.4880 58.9568 29.3270 178.6864 130 A 3.7310 8.1341 121.1901 54.9161 18.3488 179.1564 131 Q 3.7728 7.8733 117.6081 59.5066 29.2593 178.4920 132 A 3.9984 7.9424 121.4844 55.2319 18.4181 179.8141 133 K 3.2660 7.7403 116.7842 59.3149 31.7806 179.7496 134 K 3.9218 7.9638 118.0001 59.0815 32.0384 178.3303 135 E 4.2624 8.2292 116.2731 55.2520 29.9642 176.2146 136 K 4.0698 7.8415 118.1703 57.2509 30.5883 175.0095 137 L 4.4363 7.9019 117.4279 55.5821 44.3538 177.7855 138 N 3.8103 9.0322 118.8426 52.6618 38.1497 176.7049 139 I 2.8893 5.4200 127.0864 64.1911 38.0641 175.3757 140 W 4.8276 7.9034 118.2168 56.3960 29.1820 176.3874 141 S 4.7530 8.5531 119.7285 57.8798 62.6651 173.9505 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 7 L 8.17 4.50 0.00 1.74 1.82 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.49 4.95 0.00 3.19 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.42 4.63 0.00 1.57 1.66 0.00 1.40 0.00 0.00 1.27 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.27 7.81 10 E 9.16 4.98 0.00 2.12 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 2.26 2.21 0.00 11 P 0.00 5.00 0.00 2.09 2.06 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 12 A 8.40 4.95 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 13 T 8.51 4.66 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 1.22 0.00 0.00 14 L 8.67 4.24 0.00 1.63 1.58 0.92 1.01 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 15 I 8.53 4.35 2.02 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 1.15 0.79 0.94 0.00 0.00 16 K 7.64 4.56 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.45 7.81 17 A 8.66 4.67 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 18 I 8.23 4.15 2.02 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 1.19 0.66 0.91 0.00 0.00 19 D 7.58 4.54 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.89 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 21 D 8.10 5.02 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 22 T 7.87 5.19 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 1.26 0.00 0.00 23 V 8.92 4.85 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 0.80 0.00 0.00 0.95 0.00 0.00 24 K 9.19 4.98 0.00 1.88 1.84 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.53 7.81 25 L 9.44 5.36 0.00 1.66 1.60 0.35 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.21 4.91 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 27 Y 8.90 4.97 0.00 3.30 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 28 K 9.24 3.71 0.00 1.52 1.63 0.00 1.71 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 1.06 7.81 29 G 8.22 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.76 4.82 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 31 P 0.00 4.94 0.00 1.98 2.03 0.00 3.69 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 2.12 0.00 32 M 9.43 4.86 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 33 T 8.54 4.79 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 1.23 0.00 0.00 34 F 9.86 5.04 0.00 3.00 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 35 R 8.97 4.92 0.00 1.91 1.81 0.00 3.35 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 36 L 8.86 4.48 0.00 1.54 1.60 0.93 0.92 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 37 L 8.75 3.93 0.00 1.05 1.23 0.43 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.97 3.84 0.00 2.02 1.90 1.15 1.03 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 39 V 7.36 4.99 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 0.79 0.00 0.00 0.94 0.00 0.00 40 D 9.27 5.03 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.09 4.86 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 1.23 0.00 0.00 42 P 0.00 4.42 0.00 2.34 2.21 0.00 3.71 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 2.26 2.01 0.00 43 E 10.48 4.70 0.00 2.04 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 2.23 2.32 0.00 44 T 8.27 4.19 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 45 K 9.24 4.31 0.00 1.91 1.79 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 46 H 8.53 4.68 0.00 3.26 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.40 0.00 2.08 2.08 0.00 3.30 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 48 K 7.91 4.22 0.00 1.85 1.74 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.48 7.81 49 K 9.48 4.53 0.00 2.08 1.99 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.40 1.11 7.81 50 G 8.32 3.76 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 51 V 8.18 4.02 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 0.80 0.00 0.00 0.92 0.00 0.00 52 E 8.76 4.31 0.00 1.98 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 2.31 2.54 0.00 53 K 8.36 3.99 0.00 1.64 1.65 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.31 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.79 0.95 7.81 54 Y 8.11 4.35 0.00 3.20 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 55 G 8.29 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 56 P 0.00 4.29 0.00 2.17 2.11 0.00 3.58 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.19 3.99 0.00 2.37 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 2.55 2.52 0.00 58 A 8.36 4.02 1.43 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 59 S 8.42 4.15 0.00 3.97 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 60 A 8.44 4.07 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 61 F 8.48 3.92 0.00 3.28 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 62 T 8.16 3.94 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 1.28 0.00 0.00 63 K 7.98 3.93 0.00 1.93 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 64 K 8.47 3.94 0.00 1.64 1.73 0.00 1.67 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.50 7.81 65 M 7.75 3.87 0.00 1.84 1.69 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 66 L 7.96 4.13 0.00 1.72 1.67 0.91 0.67 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 67 E 8.40 4.08 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 68 N 7.73 4.71 0.00 2.77 2.80 0.00 0.00 6.98 7.51 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 69 A 7.01 4.53 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 70 K 8.90 4.18 0.00 1.96 1.88 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.40 7.81 71 K 8.79 4.71 0.00 1.63 1.64 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.42 4.99 2.02 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 1.33 1.21 0.91 0.00 0.00 73 E 9.17 5.16 0.00 1.89 1.76 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 2.20 2.25 0.00 74 V 9.00 4.76 1.42 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 -0.06 0.00 0.00 0.67 0.00 0.00 75 E 9.01 5.03 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 76 F 8.88 4.65 0.00 3.06 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 77 D 8.47 4.98 0.00 2.70 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 78 K 9.11 4.32 0.00 1.81 1.90 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.45 7.81 79 G 8.26 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 0.00 0.00 0.00 0.00 80 Q 8.59 4.17 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 81 R 8.43 4.77 0.00 1.54 1.55 0.00 2.40 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 82 T 7.74 5.20 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 1.14 0.00 0.00 83 D 8.51 4.99 0.00 2.82 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 K 8.63 3.92 0.00 1.59 1.76 0.00 1.34 0.00 0.00 1.30 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.84 0.32 7.81 85 Y 8.28 4.37 0.00 3.12 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.33 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.91 4.33 0.00 2.05 1.88 0.00 3.13 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 88 G 8.41 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.85 5.31 0.00 1.56 1.63 0.97 0.59 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 90 A 8.43 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.73 4.84 0.00 3.11 2.69 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 92 V 8.68 4.71 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 0.87 0.00 0.00 0.73 0.00 0.00 93 Y 9.24 5.14 0.00 2.84 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 94 A 9.25 4.96 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 95 D 9.92 4.35 0.00 2.78 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 96 G 8.60 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.08 4.56 0.00 1.93 1.75 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.38 7.81 98 M 8.49 3.92 0.00 1.90 1.56 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.48 0.00 99 V 8.77 3.64 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 1.03 0.00 0.00 0.92 0.00 0.00 100 N 7.97 4.32 0.00 2.88 2.90 0.00 0.00 6.78 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 0.00 101 E 8.04 3.87 0.00 1.90 2.02 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 2.20 2.07 0.00 102 A 8.14 4.07 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 3.46 0.00 1.80 1.60 1.00 0.64 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 0.00 104 V 7.47 3.73 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 105 R 8.31 3.92 0.00 1.97 2.07 0.00 3.34 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.74 4.28 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.25 0.00 0.00 0.00 0.00 0.00 2.40 2.16 0.00 107 G 8.07 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 0.00 108 L 7.80 4.38 0.00 1.25 1.45 0.50 0.40 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 0.00 109 A 7.52 4.72 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 0.00 110 K 8.72 4.81 0.00 1.91 1.87 0.00 1.35 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.43 7.81 111 V 8.88 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 0.79 0.00 0.00 1.01 0.00 0.00 112 A 8.82 4.56 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 0.00 113 Y 8.45 3.80 0.00 2.86 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 0.00 114 V 7.57 3.95 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 0.85 0.00 0.00 1.00 0.00 0.00 115 Y 8.22 4.77 0.00 3.17 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 0.00 116 K 8.71 4.50 0.00 1.81 1.80 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.39 7.81 117 P 0.00 4.81 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 118 N 8.40 4.93 0.00 2.95 2.90 0.00 0.00 6.63 7.95 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 0.00 119 N 7.79 5.11 0.00 2.85 2.99 0.00 0.00 6.09 7.22 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 0.00 120 T 8.52 3.83 4.17 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 0.00 0.00 1.12 0.00 0.00 121 H 7.82 4.81 0.00 2.89 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.40 3.96 0.00 2.14 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 0.00 2.30 2.36 0.00 123 Q 8.01 3.95 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 124 H 8.31 4.16 0.00 3.21 3.48 0.00 5.86 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 0.00 125 L 7.95 3.94 0.00 1.94 1.70 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.30 4.00 0.00 1.94 1.95 0.00 3.10 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 127 K 8.19 3.92 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.63 7.81 128 S 7.79 4.14 0.00 3.92 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 0.00 129 E 8.58 3.98 0.00 2.03 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 0.00 2.21 2.59 0.00 130 A 8.13 3.73 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 0.00 131 Q 7.87 3.77 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 132 A 7.94 4.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.74 3.27 0.00 1.55 1.32 0.00 0.95 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.96 3.92 0.00 1.83 1.81 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.44 7.81 135 E 8.23 4.26 0.00 1.91 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 0.00 2.30 2.51 0.00 136 K 7.84 4.07 0.00 2.01 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.39 7.81 137 L 7.90 4.44 0.00 1.80 1.68 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.03 3.81 0.00 2.65 1.42 0.00 0.00 7.23 7.32 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 0.00 139 I 5.42 2.89 1.43 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.53 -0.40 0.00 0.00 140 W 7.90 4.83 0.00 3.32 3.11 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 0.00 0.00 0.00 141 S 8.55 4.75 0.00 4.00 4.07 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