NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2706 8.3149 120.1304 55.6692 34.2096 175.1355 4 I 4.1355 7.4481 120.5734 59.9154 38.5663 173.8151 5 I 4.0422 9.2368 129.2172 60.8319 38.7501 174.4848 6 H 5.1396 8.6813 125.4641 54.7832 29.1319 175.4697 7 L 4.6522 8.8740 124.8646 54.1547 43.1333 176.1912 8 T 5.2448 8.2560 108.7157 58.1288 72.0606 174.7987 9 D 4.4258 9.1154 121.9391 57.8786 40.8862 178.6233 10 D 4.5840 8.1555 117.2068 56.0513 41.3850 177.6333 11 S 4.5942 7.8977 113.6505 58.3742 63.5958 175.6583 12 F 3.8389 7.9358 125.4159 61.6259 39.0876 175.9676 13 D 4.4570 8.4493 117.1232 57.9337 40.6982 178.5215 14 T 3.9006 7.7133 107.9095 64.9356 69.1786 175.9871 15 D 4.3520 7.9967 120.8200 56.1141 40.5995 177.3313 16 V 3.7445 7.4581 116.9683 64.4790 32.5408 177.8661 17 L 3.9455 7.2867 117.8955 57.0089 41.8183 178.6854 18 K 4.4646 7.7263 115.0422 55.8649 32.5268 176.4714 19 A 4.1672 7.4667 124.3911 52.5359 18.9783 177.2922 20 D 4.7468 8.5032 118.5169 52.7077 41.5680 178.3710 21 G 3.9664 8.7605 108.8024 43.6145 0.0000 172.3418 22 A 4.5181 8.2434 120.1339 51.6910 19.8749 176.6502 23 I 4.9178 8.7672 122.7381 59.3870 40.9637 174.2661 24 L 4.9142 9.0700 130.4148 53.7337 43.5022 175.0141 25 V 4.6120 9.3047 127.8025 61.4179 33.7581 173.9494 26 D 5.2734 9.0541 128.3191 52.6137 43.1111 174.9306 27 F 5.1191 9.3947 127.3454 56.7553 40.1360 175.2474 28 W 5.6388 9.0762 120.1033 55.0192 32.4857 173.5815 29 A 4.1217 8.2548 122.4407 50.4082 21.3418 177.9918 30 E 4.1566 8.4428 117.0297 58.3716 30.0088 177.3421 31 W 4.7530 7.1521 112.5073 56.8351 28.6384 175.5756 32 C 4.8311 7.5958 120.2953 57.8352 32.7248 174.1428 33 G 3.6687 8.6966 115.0984 47.6943 0.0000 173.5434 34 P 4.3044 0.0000 0.0000 65.3921 31.4252 178.4156 35 C 4.1414 8.0525 114.9509 62.8759 27.9043 176.1927 36 K 4.0427 7.6682 118.8504 59.2102 31.6152 179.1660 37 M 4.1743 7.5150 118.3540 58.2546 32.2250 178.0876 38 I 3.8737 7.8141 117.7472 62.5952 38.2533 177.2502 39 A 3.7697 7.5731 121.7747 55.1758 18.0784 177.6886 40 P 4.3873 0.0000 0.0000 65.1100 31.4164 178.7683 41 I 3.6737 7.6922 118.0195 64.5453 37.0076 178.2721 42 L 3.9485 8.0447 119.7115 57.6644 41.2726 179.1941 43 D 4.3139 7.8551 118.3837 57.6743 40.7084 178.9343 44 E 4.1171 7.9956 118.3379 59.3405 29.3029 179.5297 45 I 3.8444 7.7691 119.9519 64.1231 36.8851 178.2740 46 A 4.0104 8.0142 121.1947 55.1909 18.2750 179.1671 47 D 4.4497 7.8765 116.2654 56.8070 40.9077 178.2385 48 E 4.3337 7.7405 118.5076 58.6353 30.2475 177.2946 49 Y 4.3944 8.2502 115.6765 57.0875 38.6407 175.3679 50 Q 4.2354 7.6401 119.2904 57.4996 29.2288 177.2253 51 G 4.0480 9.1281 110.1604 45.3780 0.0000 174.0103 52 K 4.5020 7.6873 115.9520 56.8182 34.8616 175.8861 53 L 4.7823 8.0970 117.8206 54.1982 45.6116 174.6561 54 T 4.6315 8.7283 121.3829 61.7831 71.3552 173.3195 55 V 4.6368 8.3050 125.6822 61.5871 33.4669 174.3264 56 A 5.1689 9.4376 129.0752 50.0556 22.8069 174.6865 57 K 5.0053 9.1412 119.5802 54.4594 36.2907 175.3860 58 L 4.9566 8.8988 125.2083 53.1252 45.2264 174.9678 59 N 3.9005 8.6890 126.8609 52.7543 39.2823 175.3860 60 I 4.1581 8.2495 120.8924 62.4449 37.4082 176.8792 61 D 4.6041 8.5359 123.1378 56.4459 41.3188 177.7265 62 Q 4.2127 8.0730 116.5300 57.4330 29.3901 175.6322 63 N 5.0008 7.9193 115.3752 50.9362 39.0283 172.6685 64 P 4.6832 0.0000 0.0000 63.0023 32.3621 178.0325 65 G 3.7920 8.3262 108.2135 47.8473 0.0000 175.8553 66 T 3.8839 8.2237 116.6978 66.5182 69.0361 176.5382 67 A 3.6670 8.3597 123.8816 54.8904 18.6166 177.5275 68 P 4.2012 0.0000 0.0000 65.8123 31.4182 178.8478 69 K 3.8593 7.6631 115.4324 58.6492 31.5583 177.2487 70 Y 4.5068 8.1321 115.9813 56.8192 38.2087 176.0694 71 G 3.9114 7.9194 107.2429 46.1440 0.0000 174.5511 72 I 3.6380 7.0938 119.3820 62.2131 37.3409 177.1268 73 R 4.6509 8.4528 120.8193 55.5902 31.5874 172.4256 74 G 4.3549 7.5783 103.6830 45.5226 0.0000 172.4782 75 I 4.8476 7.8817 112.9428 57.8487 40.9603 173.1910 76 P 4.7707 0.0000 0.0000 63.2702 32.8876 174.8574 77 T 4.8734 8.7129 118.5654 61.8636 71.5002 173.0682 78 L 5.2719 9.0195 126.5118 53.0165 44.3811 175.2867 79 L 5.0430 9.1893 124.5621 52.7818 44.7303 175.2311 80 L 4.8999 8.6844 126.7075 53.8561 43.5376 174.9663 81 F 5.2956 9.8119 128.6951 56.6231 41.7097 176.0518 82 K 4.7456 8.9891 125.6576 53.7707 35.4494 175.2393 83 N 4.4168 9.8549 124.8831 53.5558 36.0096 175.1098 84 G 4.0918 8.5046 101.0335 45.3149 0.0000 172.7321 85 E 4.8858 8.1079 117.5422 54.0662 33.5608 175.0847 86 V 3.5159 8.3929 121.3196 62.7478 31.7656 175.6183 87 A 4.3441 8.8131 130.3521 54.2977 19.1920 177.0060 88 A 4.8151 7.6280 114.7904 51.0088 23.3493 174.9213 89 T 5.1919 8.4101 112.9592 60.8954 70.5292 173.1522 90 K 4.6168 8.8432 127.1104 54.4956 36.4689 175.2915 91 V 4.6641 8.3094 122.4663 62.1893 34.1232 175.0584 92 G 4.0360 8.7478 113.7656 44.5587 0.0000 174.7024 93 A 4.2851 8.0888 123.6569 50.6980 16.4840 177.5140 94 L 4.2163 7.6346 121.0409 54.1988 42.9297 178.1763 95 S 4.4844 9.6952 118.0211 57.3583 65.4627 175.3840 96 K 3.9581 8.5706 122.7014 59.6980 31.7110 178.7944 97 G 3.6616 8.0654 105.3194 48.1539 0.0000 175.5509 98 Q 4.0993 8.1571 120.5454 58.3271 28.5499 178.9060 99 L 4.0559 8.0262 120.3793 57.6210 41.6074 179.3996 100 K 3.9579 8.0290 118.4219 59.6132 31.9322 179.2008 101 E 3.9713 8.0586 118.7089 59.2878 29.4389 179.1125 102 F 4.2189 8.1913 120.4822 61.4504 39.4069 176.9989 103 L 3.7000 8.7028 118.9758 57.8566 41.2315 178.9285 104 D 4.4074 8.7039 118.3004 57.8294 40.9483 178.9541 105 A 4.1029 8.1442 120.1341 54.7401 18.4654 178.7141 106 N 4.4691 7.6438 113.1275 54.5932 39.1427 175.9323 107 L 4.2677 8.3686 125.1334 54.9263 41.9095 176.5354 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 3 K 8.31 4.27 0.00 1.75 1.91 0.00 1.87 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 4 I 7.45 4.14 1.71 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 1.26 0.55 0.77 0.00 0.00 5 I 9.24 4.04 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.85 0.00 0.00 6 H 8.68 5.14 0.00 3.08 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.87 4.65 0.00 1.57 1.70 0.84 0.56 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 8 T 8.26 5.24 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 1.25 0.00 0.00 9 D 9.12 4.43 0.00 2.69 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 10 D 8.16 4.58 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 7.90 4.59 0.00 4.16 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 7.94 3.84 0.00 3.25 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 13 D 8.45 4.46 0.00 2.86 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 14 T 7.71 3.90 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 1.21 0.00 0.00 15 D 8.00 4.35 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.46 3.74 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.04 0.00 0.00 17 L 7.29 3.95 0.00 1.90 1.75 1.17 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.73 4.46 0.00 1.87 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.58 7.81 19 A 7.47 4.17 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 20 D 8.50 4.75 0.00 2.70 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 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 22 A 8.24 4.52 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 8.77 4.92 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.11 0.85 0.00 0.00 24 L 9.07 4.91 0.00 1.73 1.53 1.09 0.57 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 25 V 9.30 4.61 2.28 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 0.41 0.00 0.00 0.87 0.00 0.00 26 D 9.05 5.27 0.00 2.73 2.46 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 27 F 9.39 5.12 0.00 3.14 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 9.08 5.64 0.00 3.39 3.17 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 29 A 8.25 4.12 -0.22 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 30 E 8.44 4.16 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 31 W 7.15 4.75 0.00 3.52 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 7.60 4.83 0.00 2.65 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.70 3.67 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 0.00 0.00 0.00 34 P 0.00 4.30 0.00 2.18 2.13 0.00 3.65 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 2.14 2.21 0.00 35 C 8.05 4.14 0.00 3.20 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 36 K 7.67 4.04 0.00 1.85 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.72 7.81 37 M 7.51 4.17 0.00 1.99 2.29 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 2.81 2.53 0.00 38 I 7.81 3.87 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.86 0.00 0.00 39 A 7.57 3.77 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 40 P 0.00 4.39 0.00 2.13 2.08 0.00 4.05 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 2.07 1.98 0.00 41 I 7.69 3.67 2.02 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 1.61 0.39 0.87 0.00 0.00 42 L 8.04 3.95 0.00 1.75 1.61 0.79 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.86 4.31 0.00 2.85 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 8.00 4.12 0.00 2.15 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 2.33 2.34 0.00 45 I 7.77 3.84 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.66 0.00 0.00 46 A 8.01 4.01 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 47 D 7.88 4.45 0.00 2.79 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 48 E 7.74 4.33 0.00 2.16 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 2.33 2.59 0.00 49 Y 8.25 4.39 0.00 3.12 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 50 Q 7.64 4.24 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 51 G 9.13 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 52 K 7.69 4.50 0.00 1.87 1.85 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.34 7.81 53 L 8.10 4.78 0.00 1.69 1.61 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.73 4.63 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 1.17 0.00 0.00 55 V 8.30 4.64 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 0.97 0.00 0.00 0.87 0.00 0.00 56 A 9.44 5.17 1.09 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 0.00 0.00 57 K 9.14 5.01 0.00 1.73 1.82 0.00 1.22 0.00 0.00 1.26 0.00 0.00 2.60 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.21 1.20 7.81 58 L 8.90 4.96 0.00 1.63 1.17 1.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.69 3.90 0.00 1.88 2.36 0.00 0.00 6.89 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 60 I 8.25 4.16 1.90 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 1.27 1.09 1.04 0.00 0.00 61 D 8.54 4.60 0.00 2.73 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 62 Q 8.07 4.21 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.16 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 63 N 7.92 5.00 0.00 2.74 3.01 0.00 0.00 6.59 8.00 0.00 0.00 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 4.68 0.00 2.18 2.16 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 65 G 8.33 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 0.00 0.00 0.00 66 T 8.22 3.88 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 0.39 0.00 0.00 67 A 8.36 3.67 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 4.20 0.00 2.13 2.10 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 69 K 7.66 3.86 0.00 1.49 1.36 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.41 7.81 70 Y 8.13 4.51 0.00 2.86 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 71 G 7.92 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.09 3.64 1.71 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.27 0.90 0.00 0.00 73 R 8.45 4.65 0.00 1.77 1.76 0.00 3.30 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 74 G 7.58 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 75 I 7.88 4.85 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.99 0.00 0.00 76 P 0.00 4.77 0.00 2.27 2.26 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 77 T 8.71 4.87 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 78 L 9.02 5.27 0.00 1.54 1.59 0.82 0.32 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 79 L 9.19 5.04 0.00 1.87 1.24 0.96 0.05 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 80 L 8.68 4.90 0.00 1.80 1.49 0.63 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.81 5.30 0.00 2.97 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 82 K 8.99 4.75 0.00 1.36 1.61 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 1.27 7.81 83 N 9.85 4.42 0.00 2.83 2.90 0.00 0.00 7.19 7.65 0.00 0.00 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 8.50 4.09 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 0.00 0.00 0.00 85 E 8.11 4.89 0.00 2.07 1.86 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 2.34 2.31 0.00 86 V 8.39 3.52 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 0.57 0.00 0.00 0.37 0.00 0.00 87 A 8.81 4.34 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 88 A 7.63 4.82 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 89 T 8.41 5.19 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 1.22 0.00 0.00 90 K 8.84 4.62 0.00 0.93 1.23 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.84 0.67 7.81 91 V 8.31 4.66 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 0.84 0.00 0.00 0.91 0.00 0.00 92 G 8.75 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 93 A 8.09 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 94 L 7.63 4.22 0.00 1.57 1.56 0.64 0.86 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 95 S 9.70 4.48 0.00 3.97 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 96 K 8.57 3.96 0.00 1.84 1.86 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.53 7.81 97 G 8.07 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 98 Q 8.16 4.10 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 99 L 8.03 4.06 0.00 1.96 1.67 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.03 3.96 0.00 2.04 2.01 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.81 7.81 101 E 8.06 3.97 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 2.37 2.64 0.00 102 F 8.19 4.22 0.00 3.19 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.70 3.70 0.00 1.72 1.53 -0.02 1.02 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 0.00 104 D 8.70 4.41 0.00 2.67 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 0.00 105 A 8.14 4.10 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 0.00 106 N 7.64 4.47 0.00 2.34 2.61 0.00 0.00 7.08 7.85 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 0.00 107 L 8.37 4.27 0.00 1.79 1.60 0.90 1.21 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