NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4388 8.3349 115.4128 57.8016 64.6516 173.8298 2 K 4.0929 8.0833 119.6014 57.2349 32.6903 175.3637 3 T 4.2573 8.4033 117.2535 65.0131 71.1219 175.1081 4 N 4.3477 7.9717 120.1786 53.1879 39.7269 173.5597 5 P 4.2572 0.0000 0.0000 65.4339 31.4094 179.0414 6 R 3.8740 8.4389 117.2528 59.2526 30.0984 178.5933 7 L 3.9465 8.1087 119.6051 58.2190 42.0940 178.8370 8 S 4.0554 8.2632 113.0650 61.4495 62.2867 176.3898 9 S 4.0748 8.0565 117.7809 61.4158 62.6102 176.0771 10 L 3.8638 8.1586 123.4682 58.4750 41.8636 179.0487 11 I 3.6512 7.7090 119.1088 64.2970 36.9636 178.0582 12 A 3.9750 7.7197 120.9225 55.4479 18.2346 179.1556 13 D 4.2832 8.2341 117.3613 57.8153 41.0742 179.2527 14 L 3.8925 8.3174 119.4685 57.6658 41.5035 179.9572 15 K 3.9779 7.8807 117.9374 59.6689 32.2859 179.0760 16 S 4.0676 8.3044 113.3363 61.7178 61.9675 176.2745 17 A 4.1159 8.1379 122.9400 54.9010 18.1149 179.4740 18 A 4.2459 7.8820 117.9992 54.8946 18.4400 179.8671 19 R 4.1371 7.9535 116.1691 60.0335 30.5894 178.5959 20 S 4.1959 7.8828 113.7040 60.9076 62.9694 175.9809 21 S 4.4199 8.0846 116.5697 58.4989 63.6496 175.1636 22 G 4.0435 8.5396 108.2594 45.7166 0.0000 174.4356 23 G 4.1244 7.4728 107.3572 45.1020 0.0000 173.7437 24 A 4.5731 7.9897 121.0880 51.7964 21.4848 179.1831 25 V 3.4885 7.4355 109.1856 64.2137 31.4286 178.4086 26 W 4.9633 7.6254 118.3530 60.0991 28.9672 178.6555 27 G 3.6474 8.2175 105.1051 47.7322 0.0000 175.0469 28 D 4.3201 8.2083 120.4493 57.2883 41.2856 178.6423 29 V 3.6401 8.7616 118.9548 65.7140 31.4723 177.9007 30 A 4.0236 8.3299 121.1580 55.1913 18.0142 179.4998 31 E 3.9909 8.0453 116.1717 59.3205 29.6478 179.1823 32 R 4.0946 7.7933 118.9455 59.1443 29.9534 178.4356 33 L 3.7840 7.7525 118.0097 57.3162 41.6717 178.8539 34 E 4.1742 7.9550 117.7404 57.7138 29.5940 177.5130 35 K 4.3142 7.0243 117.7210 54.6399 33.1116 174.8513 36 P 4.1574 0.0000 0.0000 63.2408 31.8469 177.6101 37 R 3.4250 8.8162 121.7741 59.3472 30.2149 178.8735 38 R 3.8758 7.9660 112.9774 59.2213 29.3123 177.6689 39 T 4.1239 8.0123 107.3254 63.1696 69.3023 174.7283 40 H 4.3678 7.9632 119.5557 55.7613 29.5158 174.5738 41 A 4.3758 8.1920 122.8333 51.8944 20.0358 176.8906 42 E 4.9282 8.6741 119.5352 54.5600 31.6327 174.2811 43 V 4.4036 8.7738 124.5908 61.0516 33.9530 174.7312 44 N 5.7295 8.4634 124.1670 51.4042 40.6955 176.0343 45 L 4.0897 8.4721 120.4078 58.0615 41.3025 180.0079 46 G 3.7567 8.2177 105.1748 48.1430 0.0000 175.4352 47 R 3.9095 7.8046 120.5604 58.9845 30.1507 178.6026 48 I 3.7658 7.7107 119.2397 64.4775 37.0033 177.8240 49 E 3.9497 8.1835 118.9628 59.2210 29.4296 178.5146 50 R 3.8923 7.3523 117.9238 58.2215 30.1729 176.3900 51 Y 4.7469 7.5351 111.9518 57.4590 39.0643 175.2487 52 A 4.6843 7.8176 123.6826 51.0498 20.5898 176.6790 53 Q 4.6238 8.0700 115.6394 54.3383 31.5100 174.4007 54 E 3.8862 8.6987 119.8453 58.3078 29.9805 176.8068 55 D 4.4007 8.8739 119.2929 54.7821 38.4180 173.3612 56 E 4.7064 7.7731 119.7885 54.3017 31.8599 175.5903 57 T 4.2082 8.4476 124.7719 63.8639 69.8324 173.8964 58 V 4.3717 9.0536 127.6437 62.4345 33.0823 174.7023 59 V 4.7423 9.2522 128.7789 61.3597 33.4281 174.5346 60 V 4.8260 8.8776 129.8966 59.1602 32.5887 174.7654 61 P 4.7260 0.0000 0.0000 59.8008 29.5389 175.2032 62 G 4.1461 6.8770 119.2858 46.7873 0.0000 173.4556 63 K 4.8955 9.1430 126.3164 54.1729 35.7867 173.7853 64 V 4.7926 8.2473 125.0399 61.1971 33.9913 174.4375 65 L 5.0471 9.6702 127.3266 52.4396 45.4246 176.5836 66 G 4.2914 8.5757 108.0058 47.0040 0.0000 173.7428 67 S 4.4429 8.1741 117.2354 58.9374 64.3889 175.5207 68 G 4.1203 8.9356 110.4104 44.8563 0.0000 172.2218 69 V 4.3804 7.9166 116.9671 60.6215 33.7927 174.4689 70 L 4.8632 8.4306 127.2279 53.5094 44.2061 175.3846 71 Q 4.4778 10.0989 125.8081 57.0018 30.7360 176.9705 72 K 3.9424 8.2571 115.9895 57.1355 32.8887 177.0955 73 D 5.4527 8.5381 123.6555 52.8348 39.8769 174.9357 74 V 4.7701 7.7074 116.4045 59.5520 36.0226 174.4061 75 T 5.0078 8.3173 117.5559 62.0758 70.9033 173.6916 76 V 4.9325 8.8173 126.8544 61.0565 34.2439 174.1521 77 A 5.9400 9.9167 129.0187 49.4475 21.6632 174.8603 78 A 5.1394 8.4889 122.6025 49.0969 22.9967 176.8462 79 V 3.5366 8.2268 118.9453 66.1649 31.9873 175.7084 80 D 4.6297 7.2583 116.7594 53.3230 44.5178 174.0257 81 F 5.4016 8.6969 120.9859 55.2836 42.5577 175.3108 82 S 4.2999 8.9410 117.6010 58.1479 63.9990 175.5727 83 G 3.7119 8.9095 107.9018 48.3551 0.0000 176.2252 84 T 3.8859 7.8960 117.1749 66.3571 68.5100 176.1298 85 A 4.0221 8.2187 122.8647 55.5841 18.5815 179.2592 86 E 3.6443 8.4124 117.1620 59.6315 29.3370 179.4161 87 T 3.9063 7.4633 114.6550 66.4249 68.7430 176.7162 88 K 4.2998 8.3929 120.8249 59.4131 31.9947 179.5609 89 I 3.7119 8.0121 120.3054 64.5325 36.9436 178.0813 90 D 4.6661 7.5420 118.0453 55.8791 40.6030 178.2424 91 Q 4.1877 7.6043 118.8048 57.7309 29.1129 176.9065 92 V 4.5206 7.7072 110.1670 61.0267 35.0831 174.4547 93 G 4.2218 8.4883 111.7168 44.5597 0.0000 174.6449 94 E 4.7382 9.6037 127.7865 54.7056 33.1779 172.8966 95 A 4.4151 9.1361 130.3922 50.9872 19.6218 176.5957 96 V 4.5804 9.1314 122.9045 60.8681 35.4382 175.3306 97 S 4.9363 8.6344 120.6838 57.7313 64.1294 175.0248 98 L 3.8739 8.2668 123.5529 58.2137 41.7577 179.4237 99 E 3.8879 8.0186 118.2804 59.0704 29.4315 178.9933 100 Q 3.9874 7.8736 117.6422 58.6550 28.9172 177.8613 101 A 3.9924 7.9989 121.8150 55.7068 18.1952 179.5487 102 I 3.1025 7.0506 116.5684 64.2700 37.1116 177.8329 103 E 4.1535 7.2776 118.1559 58.9845 29.8650 177.8806 104 N 4.6387 8.4351 114.4255 54.6556 40.1640 175.4131 105 N 5.1233 8.2414 118.7669 52.0401 40.2495 173.1410 106 P 4.6551 0.0000 0.0000 65.5270 32.3026 178.3638 107 E 4.0016 8.4832 118.2296 56.9547 30.2804 176.0200 108 G 3.4057 8.2613 107.6682 46.3493 0.0000 173.0743 109 S 4.5690 8.1782 111.5865 57.6340 66.6766 174.4213 110 H 3.9867 8.4850 116.9486 57.1320 25.7418 174.5949 111 V 4.8959 7.2291 116.2123 59.8390 35.0704 176.4933 112 R 4.5563 9.1410 123.8363 54.4901 32.6273 174.4267 113 V 4.4680 8.4127 126.7166 62.4947 32.5585 175.0211 114 I 4.8024 8.8790 128.4723 59.3992 40.8970 176.0070 115 R 4.1823 8.4138 121.7426 56.4683 29.4644 174.7660 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 S 8.33 4.44 0.00 3.99 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 2 K 8.08 4.09 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.40 4.26 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 4 N 7.97 4.35 0.00 2.75 2.72 0.00 0.00 7.22 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 5 P 0.00 4.26 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.44 3.87 0.00 1.94 1.96 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 7 L 8.11 3.95 0.00 1.75 1.81 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.26 4.06 0.00 4.02 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 9 S 8.06 4.07 0.00 4.04 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 10 L 8.16 3.86 0.00 1.68 1.82 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.71 3.65 2.02 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 1.45 0.98 0.91 0.00 0.00 12 A 7.72 3.98 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 13 D 8.23 4.28 0.00 2.79 2.66 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 14 L 8.32 3.89 0.00 1.82 1.94 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.88 3.98 0.00 2.05 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 16 S 8.30 4.07 0.00 3.87 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 17 A 8.14 4.12 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 18 A 7.88 4.25 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.95 4.14 0.00 1.83 2.01 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 20 S 7.88 4.20 0.00 3.98 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 21 S 8.08 4.42 0.00 4.23 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 22 G 8.54 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 23 G 7.47 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 0.00 0.00 0.00 24 A 7.99 4.57 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 25 V 7.44 3.49 1.61 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 0.61 0.00 0.00 -0.42 0.00 0.00 26 W 7.63 4.96 0.00 3.36 3.22 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 27 G 8.22 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.21 4.32 0.00 3.03 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 29 V 8.76 3.64 2.40 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 1.01 0.00 0.00 1.19 0.00 0.00 30 A 8.33 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 31 E 8.05 3.99 0.00 2.13 2.04 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 2.36 2.43 0.00 32 R 7.79 4.09 0.00 1.90 1.90 0.00 3.34 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.75 3.78 0.00 1.78 1.67 0.88 0.84 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 34 E 7.96 4.17 0.00 2.13 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 0.00 2.36 2.49 0.00 35 K 7.02 4.31 0.00 1.97 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.67 7.81 36 P 0.00 4.16 0.00 2.15 1.99 0.00 3.64 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 2.12 2.13 0.00 37 R 8.82 3.43 0.00 1.79 1.93 0.00 3.11 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 38 R 7.97 3.88 0.00 1.90 2.06 0.00 3.02 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 8.01 4.12 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 1.21 0.00 0.00 40 H 7.96 4.37 0.00 3.27 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.19 4.38 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 42 E 8.67 4.93 0.00 1.81 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 2.20 2.28 0.00 43 V 8.77 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.46 5.73 0.00 2.70 2.97 0.00 0.00 7.62 6.74 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 45 L 8.47 4.09 0.00 1.81 1.74 0.94 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.22 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 47 R 7.80 3.91 0.00 1.93 1.99 0.00 3.25 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 48 I 7.71 3.77 2.04 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 1.59 0.70 0.96 0.00 0.00 49 E 8.18 3.95 0.00 1.95 2.21 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 2.41 2.31 0.00 50 R 7.35 3.89 0.00 1.65 1.43 0.00 2.32 0.00 0.00 2.87 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.27 0.00 51 Y 7.54 4.75 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.82 4.68 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 53 Q 8.07 4.62 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 54 E 8.70 3.89 0.00 1.99 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 2.54 2.36 0.00 55 D 8.87 4.40 0.00 2.84 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 56 E 7.77 4.71 0.00 1.93 2.04 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 2.23 2.28 0.00 57 T 8.45 4.21 4.32 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 1.37 0.00 0.00 58 V 9.05 4.37 2.16 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 9.25 4.74 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 1.16 0.00 0.00 1.15 0.00 0.00 60 V 8.88 4.83 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 1.11 0.00 0.00 0.95 0.00 0.00 61 P 0.00 4.73 0.00 2.13 2.23 0.00 3.97 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 62 G 6.88 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 63 K 9.14 4.90 0.00 1.68 1.56 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.34 7.81 64 V 8.25 4.79 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 1.10 0.00 0.00 0.85 0.00 0.00 65 L 9.67 5.05 0.00 1.65 1.51 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.58 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 0.00 0.00 0.00 0.00 67 S 8.17 4.44 0.00 4.00 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 68 G 8.94 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 0.00 0.00 0.00 69 V 7.92 4.38 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.43 4.86 0.00 1.59 1.51 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.10 4.48 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.26 3.94 0.00 1.75 1.77 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.83 7.81 73 D 8.54 5.45 0.00 2.85 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 74 V 7.71 4.77 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 0.82 0.00 0.00 0.96 0.00 0.00 75 T 8.32 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 1.26 0.00 0.00 76 V 8.82 4.93 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 1.17 0.00 0.00 1.02 0.00 0.00 77 A 9.92 5.94 1.34 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 78 A 8.49 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.23 3.54 2.16 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 0.69 0.00 0.00 0.86 0.00 0.00 80 D 7.26 4.63 0.00 2.76 2.36 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 81 F 8.70 5.40 0.00 2.89 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 82 S 8.94 4.30 0.00 3.95 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 83 G 8.91 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 84 T 7.90 3.89 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 1.23 0.00 0.00 85 A 8.22 4.02 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.64 0.00 1.98 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 0.00 2.20 2.07 0.00 87 T 7.46 3.91 4.39 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 1.20 0.00 0.00 88 K 8.39 4.30 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.67 7.81 89 I 8.01 3.71 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 0.87 0.00 0.00 90 D 7.54 4.67 0.00 2.63 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 91 Q 7.60 4.19 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 92 V 7.71 4.52 2.22 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 0.76 0.00 0.00 0.96 0.00 0.00 93 G 8.49 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 0.00 0.00 0.00 0.00 94 E 9.60 4.74 0.00 2.01 1.74 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 2.16 2.23 0.00 95 A 9.14 4.42 0.61 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 96 V 9.13 4.58 2.24 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 1.03 0.00 0.00 0.93 0.00 0.00 97 S 8.63 4.94 0.00 4.10 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 98 L 8.27 3.87 0.00 1.82 1.57 0.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.02 3.89 0.00 2.05 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 2.35 2.37 0.00 100 Q 7.87 3.99 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 8.00 3.99 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 0.00 102 I 7.05 3.10 1.70 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.07 0.67 0.00 0.00 103 E 7.28 4.15 0.00 2.04 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 2.30 2.33 0.00 104 N 8.44 4.64 0.00 2.74 2.89 0.00 0.00 6.82 7.80 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 0.00 105 N 8.24 5.12 0.00 2.89 2.88 0.00 0.00 6.79 6.99 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 0.00 106 P 0.00 4.66 0.00 2.32 2.34 0.00 3.90 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 107 E 8.48 4.00 0.00 2.13 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 0.00 2.42 2.39 0.00 108 G 8.26 3.41 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 0.00 109 S 8.18 4.57 0.00 3.98 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 0.00 110 H 8.49 3.99 0.00 3.35 3.36 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.23 4.90 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 0.47 0.00 0.00 0.87 0.00 0.00 112 R 9.14 4.56 0.00 2.14 1.81 0.00 3.12 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.41 4.47 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 0.88 0.00 0.00 0.90 0.00 0.00 114 I 8.88 4.80 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 1.00 0.00 0.00 115 R 8.41 4.18 0.00 1.85 1.82 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00