NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5661 8.3649 120.1906 54.2275 41.9829 175.0916 3 K 4.1295 8.6014 125.4143 56.4360 32.9119 175.1037 4 I 4.3680 8.1456 121.7363 60.3785 39.4036 175.1821 5 I 3.9984 8.4674 127.6203 60.9463 38.5277 174.7810 6 H 5.0487 8.6470 124.9542 54.4133 28.7619 174.9627 7 L 4.4993 8.7282 124.1564 54.4556 42.5747 176.4392 8 T 4.9962 8.3092 110.1449 58.2508 71.8367 174.8115 9 D 4.4235 8.8211 120.7035 57.5521 40.7258 178.4021 10 D 4.5591 8.0951 118.6549 56.7250 41.2378 177.8969 11 S 4.4752 8.2688 113.3862 59.0698 63.5159 175.8361 12 F 3.8207 7.9052 125.3191 61.5979 39.0818 175.9975 13 D 4.4383 8.4483 116.8587 58.1135 40.6565 178.6435 14 T 3.8978 7.7123 113.7587 66.7342 68.7070 176.3119 15 D 4.3651 8.2129 120.1415 56.1380 41.1797 177.4895 16 V 3.7170 7.5881 116.8338 64.4405 32.5676 177.8453 17 L 4.1430 7.4922 116.3545 56.7609 41.7806 177.9378 18 K 4.3316 7.7090 115.4759 55.9620 33.0558 176.5898 19 A 4.1093 7.3960 122.4111 52.0906 19.0119 176.9778 20 D 5.1650 8.2672 122.3762 49.4942 40.3895 177.0865 21 G 3.7233 7.1826 109.2823 45.2946 0.0000 167.6854 22 A 5.0567 8.0405 122.7120 50.9129 20.8310 176.8624 23 I 4.8595 8.7949 123.8579 59.3481 40.5784 174.6583 24 L 4.7795 8.9774 130.4698 54.0967 42.9222 175.1315 25 V 4.5258 9.0821 128.2098 61.6071 33.5387 173.9541 26 D 5.1716 8.9463 128.3966 52.7673 43.0377 174.9204 27 F 5.3958 9.3656 126.9194 56.2297 40.4053 175.2573 28 W 5.6116 9.0220 120.2300 55.2324 32.5392 173.3909 29 A 4.0694 8.0388 119.5814 49.8976 21.4983 177.1090 30 E 4.0755 8.2816 120.9160 58.8227 29.9402 178.0674 31 W 4.3707 7.3666 113.2192 57.3932 28.9548 176.8427 32 C 4.7047 7.5032 120.7014 55.3103 37.6926 173.6729 33 G 3.6595 8.7663 115.8375 47.5755 0.0000 172.6430 34 P 4.3224 0.0000 0.0000 65.5059 31.0597 179.0070 35 C 4.2867 8.1369 115.8372 59.8965 39.9924 175.8967 36 K 3.6866 7.8315 118.4464 58.9171 31.7166 178.7989 37 M 4.1691 7.5837 118.1945 58.1400 32.4621 177.5508 38 I 3.9407 7.5679 111.6778 61.9279 38.0884 177.5832 39 A 3.7319 7.3056 123.5410 54.9525 18.1407 177.9042 40 P 4.4962 0.0000 0.0000 65.1740 31.2372 178.6900 41 I 3.6880 7.5812 119.6320 64.3170 37.1111 177.9757 42 L 3.9067 8.0191 119.9575 57.7347 41.0042 179.2450 43 D 4.3135 7.8368 118.3422 57.6157 40.7420 178.8550 44 E 4.0654 7.9424 118.6076 59.4278 29.3391 179.5958 45 I 3.8418 8.1308 119.9126 64.1517 36.9425 177.9735 46 A 4.0098 8.1344 121.1166 55.5156 17.9058 179.1917 47 D 4.4549 7.9731 116.4745 57.8210 40.7541 178.8468 48 D 4.4183 8.3082 118.0808 56.7965 40.9977 177.5408 49 Y 4.5014 8.1792 115.1326 56.1615 38.0674 174.6774 50 Q 3.6801 7.1274 120.7345 58.3070 29.0348 177.6316 51 G 4.0351 9.1966 114.1104 45.1720 0.0000 173.3610 52 K 4.4455 8.2875 118.3140 57.3475 33.9488 175.8526 53 L 4.8146 7.5810 115.4807 55.0695 43.6431 174.9073 54 T 4.6488 8.6346 115.9104 61.7568 71.4422 173.8271 55 V 4.5461 8.2460 124.9549 61.9923 33.4656 174.4243 56 A 5.1016 9.1116 128.2886 50.1422 22.9942 174.8518 57 K 4.9710 9.2302 120.0694 54.3944 36.1158 175.0572 58 L 4.8804 9.1218 126.8760 53.0617 44.7460 174.7689 59 N 4.1649 8.6608 126.5750 53.0922 39.2393 175.2700 60 I 4.1407 8.6065 120.2482 62.6110 38.4755 177.7386 61 D 4.4727 8.0899 122.3332 56.8395 41.4489 177.8662 62 Q 4.1567 8.4043 117.1078 58.0677 28.9384 176.2099 63 N 5.0425 8.1158 115.5596 50.6697 38.8035 172.8714 64 P 4.6457 0.0000 0.0000 63.5939 32.4191 178.9016 65 G 3.7266 8.6292 108.6315 48.2776 0.0000 175.2003 66 T 4.0342 7.9432 116.2728 65.9934 69.2855 176.7313 67 A 3.6353 8.3026 122.8374 54.9749 18.3129 177.7728 68 P 4.1690 0.0000 0.0000 65.5409 31.1263 178.6250 69 K 4.0591 7.7510 115.4502 58.0568 31.0283 177.1917 70 Y 4.4595 7.8490 116.7059 56.8387 38.5927 176.0822 71 G 4.1145 7.7952 106.2450 46.3275 0.0000 174.4096 72 I 3.6876 7.0621 121.0962 61.0739 36.8469 174.6009 73 R 4.3424 7.8892 123.9538 57.0289 32.8195 176.5618 74 G 3.8549 8.0698 110.8012 45.8410 0.0000 172.5356 75 I 4.8239 7.9206 114.1809 57.6066 40.8285 173.4067 76 P 4.7821 0.0000 0.0000 63.3668 32.8303 174.9399 77 T 4.9949 8.6357 118.3591 61.9334 71.5865 172.8775 78 L 5.1327 9.2293 127.3484 53.3645 43.7197 175.4010 79 L 5.0892 9.1015 125.0551 52.8811 44.3635 175.3813 80 L 4.9388 8.8353 126.9097 54.0762 43.3251 175.1382 81 F 5.0068 9.7724 126.3723 56.2703 41.4138 175.4158 82 K 4.5919 9.2073 122.6783 54.5478 34.1181 176.0341 83 N 4.3902 9.3668 124.8611 53.0867 36.6628 176.5361 84 G 4.1465 8.9070 104.5901 45.1952 0.0000 173.5302 85 E 4.7207 8.0430 119.8295 54.0326 31.3217 175.9895 86 V 3.6070 8.5019 117.9871 61.5350 32.0064 175.7164 87 A 4.6365 8.8209 126.4101 52.9798 20.8200 176.7076 88 A 4.7432 7.5401 114.7053 51.1979 22.8936 175.5266 89 T 5.0727 8.6505 116.0778 61.6878 72.3667 173.4788 90 K 4.3678 9.0805 126.8530 54.5699 35.4422 174.6903 91 V 4.5614 8.6021 127.4216 62.3863 33.3581 175.0115 92 G 3.7317 9.4891 114.1296 44.2808 0.0000 172.4904 93 A 4.3464 8.0230 121.2644 51.7804 19.3049 176.6378 94 L 4.5912 7.6774 117.9729 53.3620 43.0604 175.8685 95 S 4.4370 8.8442 116.4556 57.6630 65.2235 175.3042 96 K 4.0487 8.5235 121.8784 59.5107 31.9452 178.7177 97 G 3.6311 8.0557 105.6256 47.9728 0.0000 175.5813 98 Q 4.0727 8.0692 120.3348 58.5040 28.6438 178.5665 99 L 3.9773 8.1293 121.5354 57.7892 42.1023 178.5932 100 K 4.0312 8.2911 121.3008 58.9611 32.0838 178.0711 101 E 3.9406 8.0736 118.7455 59.3987 29.4259 178.4762 102 F 4.1548 8.2226 120.4507 61.3383 39.3498 177.1780 103 L 3.7315 8.4151 118.8175 57.8886 41.1532 179.0347 104 D 4.4511 8.8363 118.9683 57.5453 40.5474 178.8959 105 A 3.9350 8.0891 120.1925 54.2822 18.4997 178.4488 106 N 4.5656 7.4021 112.7067 53.9473 39.4987 176.9709 107 L 4.0970 8.1164 120.5210 57.0858 41.8116 176.6869 108 A 4.1563 7.3089 125.4412 52.6414 18.3160 176.9223 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 2 D 8.36 4.57 0.00 2.65 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 3 K 8.60 4.13 0.00 1.84 1.82 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.62 7.81 4 I 8.15 4.37 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.43 0.71 0.00 0.00 5 I 8.47 4.00 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.49 0.84 0.00 0.00 6 H 8.65 5.05 0.00 3.07 3.33 0.00 5.69 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 7 L 8.73 4.50 0.00 1.67 1.69 0.84 0.64 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 8 T 8.31 5.00 4.34 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 1.24 0.00 0.00 9 D 8.82 4.42 0.00 2.70 2.80 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 10 D 8.10 4.56 0.00 2.68 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 11 S 8.27 4.48 0.00 4.12 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 12 F 7.91 3.82 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.44 0.00 2.93 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 14 T 7.71 3.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 15 D 8.21 4.37 0.00 2.47 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.59 3.72 0.67 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 -0.37 0.00 0.00 -0.15 0.00 0.00 17 L 7.49 4.14 0.00 1.98 1.78 1.18 1.11 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 18 K 7.71 4.33 0.00 1.89 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.50 7.81 19 A 7.40 4.11 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 20 D 8.27 5.16 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.04 5.06 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 23 I 8.79 4.86 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.06 0.75 0.00 0.00 24 L 8.98 4.78 0.00 1.74 1.54 1.05 0.58 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 25 V 9.08 4.53 2.31 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 0.38 0.00 0.00 0.71 0.00 0.00 26 D 8.95 5.17 0.00 2.73 2.43 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 27 F 9.37 5.40 0.00 3.06 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 9.02 5.61 0.00 3.39 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 29 A 8.04 4.07 0.16 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 30 E 8.28 4.08 0.00 1.89 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 2.37 2.45 0.00 31 W 7.37 4.37 0.00 3.59 3.23 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 32 C 7.50 4.70 0.00 1.91 2.76 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 33 G 8.77 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 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.28 2.34 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 35 C 8.14 4.29 0.00 3.24 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.83 3.69 0.00 1.89 1.85 0.00 1.74 0.00 0.00 2.01 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.65 7.81 37 M 7.58 4.17 0.00 2.00 2.20 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 2.59 2.58 0.00 38 I 7.57 3.94 1.79 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 1.62 0.28 0.89 0.00 0.00 39 A 7.31 3.73 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 40 P 0.00 4.50 0.00 2.23 2.28 0.00 4.00 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 41 I 7.58 3.69 1.99 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 1.62 0.57 0.88 0.00 0.00 42 L 8.02 3.91 0.00 1.73 1.61 0.75 0.97 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 43 D 7.84 4.31 0.00 2.84 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 44 E 7.94 4.07 0.00 2.12 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 2.32 2.61 0.00 45 I 8.13 3.84 1.95 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 1.59 0.91 0.73 0.00 0.00 46 A 8.13 4.01 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 47 D 7.97 4.45 0.00 2.94 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 48 D 8.31 4.42 0.00 2.96 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 49 Y 8.18 4.50 0.00 3.10 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 50 Q 7.13 3.68 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 51 G 9.20 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.29 4.45 0.00 1.96 1.94 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.32 7.81 53 L 7.58 4.81 0.00 1.83 1.63 0.88 0.46 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 54 T 8.63 4.65 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 1.16 0.00 0.00 55 V 8.25 4.55 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 0.97 0.00 0.00 0.88 0.00 0.00 56 A 9.11 5.10 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.23 4.97 0.00 1.72 1.84 0.00 1.37 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.13 1.22 7.81 58 L 9.12 4.88 0.00 1.61 1.26 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.66 4.16 0.00 1.97 2.43 0.00 0.00 6.92 7.91 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 60 I 8.61 4.14 1.91 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 1.23 0.57 1.12 0.00 0.00 61 D 8.09 4.47 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.40 4.16 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.13 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 63 N 8.12 5.04 0.00 2.84 2.91 0.00 0.00 6.64 7.61 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 64 P 0.00 4.65 0.00 2.18 2.18 0.00 3.51 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 65 G 8.63 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 66 T 7.94 4.03 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 0.46 0.00 0.00 67 A 8.30 3.64 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 68 P 0.00 4.17 0.00 2.12 2.09 0.00 3.61 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 2.09 2.16 0.00 69 K 7.75 4.06 0.00 1.74 1.39 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.38 7.81 70 Y 7.85 4.46 0.00 2.77 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 71 G 7.80 4.11 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 0.00 0.00 0.00 72 I 7.06 3.69 1.65 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.26 0.83 0.00 0.00 73 R 7.89 4.34 0.00 1.77 1.77 0.00 3.37 0.00 0.00 3.22 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 74 G 8.07 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 75 I 7.92 4.82 1.98 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.78 1.01 0.00 0.00 76 P 0.00 4.78 0.00 2.16 2.26 0.00 3.64 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 2.14 2.13 0.00 77 T 8.64 4.99 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 1.27 0.00 0.00 78 L 9.23 5.13 0.00 1.41 1.59 0.78 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 79 L 9.10 5.09 0.00 1.83 1.29 0.90 0.54 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 L 8.84 4.94 0.00 1.86 1.55 0.98 0.52 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 81 F 9.77 5.01 0.00 2.97 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 82 K 9.21 4.59 0.00 1.64 1.74 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.37 7.81 83 N 9.37 4.39 0.00 2.95 2.90 0.00 0.00 6.98 7.93 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 84 G 8.91 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 4.72 0.00 2.26 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 86 V 8.50 3.61 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 -0.38 0.00 0.00 0.94 0.00 0.00 87 A 8.82 4.64 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 88 A 7.54 4.74 1.13 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 0.00 0.00 89 T 8.65 5.07 4.28 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 1.23 0.00 0.00 90 K 9.08 4.37 0.00 0.94 0.99 0.00 1.29 0.00 0.00 1.30 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.85 1.16 7.81 91 V 8.60 4.56 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 0.85 0.00 0.00 0.93 0.00 0.00 92 G 9.49 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 93 A 8.02 4.35 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 94 L 7.68 4.59 0.00 1.89 1.53 0.74 0.50 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 95 S 8.84 4.44 0.00 4.07 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 96 K 8.52 4.05 0.00 1.85 1.86 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.53 7.81 97 G 8.06 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.07 4.07 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 8.13 3.98 0.00 1.82 1.79 0.93 0.37 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 0.00 100 K 8.29 4.03 0.00 2.10 2.03 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.54 7.81 101 E 8.07 3.94 0.00 2.29 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 2.35 2.36 0.00 102 F 8.22 4.15 0.00 3.16 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.42 3.73 0.00 1.69 1.42 0.23 0.87 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 0.00 104 D 8.84 4.45 0.00 2.84 2.76 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 0.00 105 A 8.09 3.94 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 0.00 106 N 7.40 4.57 0.00 2.22 2.57 0.00 0.00 7.06 8.33 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 0.00 107 L 8.12 4.10 0.00 1.63 1.74 1.10 0.63 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 0.00 108 A 7.31 4.16 1.17 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 0.00 0.00 0.00