NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3367 8.3545 119.0735 55.7535 31.1650 175.8280 3 E 4.0033 9.1090 119.9758 58.0496 29.7724 175.2738 4 D 4.5243 8.8102 117.9153 53.2836 40.5961 179.1203 *6 K 4.4824 8.2203 122.0393 57.3122 34.4479 178.2276 7 D 4.4482 8.0256 118.4897 56.5672 39.5502 178.3052 8 N 4.4030 8.0881 117.5304 55.9219 38.5586 177.4929 9 V 3.6508 7.7390 119.5861 65.8788 31.7149 178.3643 10 V 3.6053 7.9165 119.0723 64.3325 31.2328 178.2590 11 K 3.8766 7.9638 120.0165 59.5191 32.1372 178.1304 12 D 4.3467 7.9294 117.6660 57.4553 41.1106 178.4266 13 K 4.0527 8.4222 119.4486 59.4636 31.8720 179.4995 14 S 4.2276 8.3467 114.7092 61.3076 63.0453 176.6890 15 L 4.0438 7.9967 122.5806 57.6644 41.4505 179.1110 16 E 4.0121 8.3028 118.5604 59.4433 29.3470 179.3140 17 F 4.1421 8.5689 120.4753 61.1636 39.3943 176.8001 18 A 3.9475 8.3886 120.7488 55.3887 18.0647 179.8456 19 V 3.4925 7.6873 116.0895 66.1817 31.5342 178.4578 20 R 3.8338 7.8073 117.7615 59.3095 29.7617 179.1312 21 I 3.4962 7.7385 120.0035 64.0889 37.0263 178.5770 22 V 3.5894 7.9969 119.4433 66.1965 31.3537 177.8377 23 N 4.3850 8.3115 116.2316 56.2243 38.2690 177.1399 24 L 3.9962 8.2298 122.0384 58.1701 42.0807 178.2998 25 Y 4.0274 8.3667 119.7866 60.7193 38.7342 178.2107 26 K 3.8222 8.2682 119.2730 59.4155 32.1722 178.8593 27 F 4.0925 8.3511 120.7185 61.4204 39.2218 177.1930 28 L 3.7052 8.1234 118.5576 57.6094 41.2709 179.8169 29 V 3.0841 7.4732 118.2355 66.0121 31.2909 177.8934 30 N 4.3159 8.1153 115.0924 55.5565 38.5456 176.1310 31 E 4.1491 7.7298 118.2407 58.0876 30.3146 177.2309 32 Q 4.0788 7.3879 113.8587 55.1073 29.4313 175.4259 33 K 3.5255 7.3553 115.4627 56.0366 29.7244 174.4829 34 E 4.1545 7.5480 118.6831 54.3633 30.0715 175.0357 35 F 4.8179 8.2834 122.6825 56.6111 41.2264 176.6482 36 V 3.8678 8.0157 120.0433 62.9890 31.5866 177.0974 *38 S 4.3771 7.9572 114.1034 58.6262 64.9502 176.2176 39 K 4.1447 7.5104 121.1068 58.9750 31.6618 179.4317 40 Q 3.7269 7.4020 118.3876 58.8864 28.4138 178.6319 41 I 3.8905 7.0576 120.1294 62.6530 38.2133 177.3100 42 L 3.8382 8.0305 121.8466 58.0130 41.9134 178.9948 43 R 3.8199 7.7511 118.3705 59.4999 29.7753 178.6751 44 S 4.5823 7.7175 115.6148 61.0376 62.8595 176.6403 45 G 3.8809 8.4082 109.1636 47.1564 0.0000 175.3178 46 T 4.2464 7.9039 110.8377 63.7530 69.1955 177.0418 47 S 4.2950 7.9829 117.8992 60.8022 62.8226 176.1298 48 I 3.7992 7.5347 122.2032 64.6634 36.8496 178.4793 49 G 3.7118 8.1585 105.4412 47.0596 0.0000 175.2861 50 A 4.0115 7.7438 122.0429 55.1838 18.3835 179.5493 51 N 4.3693 8.3327 114.9451 56.2692 38.6001 177.8027 52 I 3.6829 7.7530 121.4560 64.3025 36.9483 178.3387 53 R 3.9440 8.0509 118.7876 59.4626 30.1758 178.1381 54 E 4.1042 8.2350 118.2126 59.2403 29.4258 178.9110 55 A 4.0497 8.3986 121.2642 55.5441 18.2091 179.6153 56 E 4.1585 8.2546 115.2270 58.8434 29.5442 178.5165 57 Q 4.4226 7.6978 115.8027 54.5066 29.5482 175.6926 58 A 4.1235 7.7021 126.5526 53.2822 18.8848 178.8208 59 Q 4.3357 8.6103 119.2380 56.0627 29.1180 175.6161 60 S 4.9351 7.7176 112.6177 57.1094 67.5414 175.6779 61 R 4.0078 8.5285 123.8345 61.2479 29.1663 180.0301 62 A 4.2823 8.1515 122.3792 56.2672 18.4490 179.9954 63 D 4.3720 8.0364 119.1494 58.3010 39.8755 180.0334 64 F 4.3837 8.4299 122.1436 61.6123 39.3073 177.3387 65 I 3.5261 8.1921 119.2531 64.4302 36.9136 178.2491 66 N 4.2948 8.2328 117.2368 56.3108 38.3755 177.6731 67 K 3.9888 8.2201 119.9833 59.3766 32.0007 179.4651 68 L 3.8499 7.7654 119.3535 57.5735 41.4361 179.0314 69 N 4.2499 8.2439 117.3869 56.6131 38.8629 177.0738 70 I 3.7093 7.8684 121.1828 64.1056 37.0701 178.1061 71 A 3.9787 8.0768 121.7355 55.1921 18.1668 179.4384 72 L 3.8311 8.1771 119.0469 57.9675 42.0187 179.0567 73 K 3.8906 8.0888 119.6370 59.6804 31.8517 178.6807 74 E 4.0096 8.3654 118.5758 59.2299 29.3589 179.1306 75 A 4.0238 8.2804 121.1061 55.3603 18.4427 179.5102 76 N 4.5903 8.3208 116.3711 55.8634 38.5811 177.3158 77 E 3.9473 8.6148 121.1652 59.5574 29.2133 178.9527 78 T 4.2315 8.3435 115.9222 66.9361 68.0569 176.4004 79 E 4.1389 8.4943 120.4526 59.3967 29.3763 178.7529 80 Y 4.0303 8.0195 119.5962 60.6700 38.7805 178.3379 81 W 4.1852 8.3126 119.7870 59.6977 29.1488 178.5564 82 L 4.1912 8.5480 119.3525 57.7960 41.0637 179.1599 83 E 3.8322 8.4517 119.2763 59.1194 29.6151 178.5107 84 L 3.8086 7.8100 120.4247 58.1755 42.0833 178.9529 85 L 4.1510 8.3036 119.1554 57.8940 41.6156 179.4202 86 I 3.6876 7.8907 118.5452 64.1568 37.6804 178.2215 87 R 3.9774 7.9980 118.1934 58.4445 29.8351 178.0728 88 T 4.4452 7.6585 107.2673 60.8873 69.1211 174.5636 89 E 3.8160 7.8108 118.5012 57.9589 27.3904 175.3059 90 Y 4.1587 8.0568 119.3444 59.8147 38.2101 175.9721 91 I 4.9717 7.5191 111.2298 58.2752 40.8449 175.5389 92 T 4.2759 8.9007 113.2300 61.2023 70.8772 175.7902 93 R 3.9393 8.4423 120.8269 59.4384 30.0507 178.0666 94 E 3.9440 8.1500 118.7741 59.3222 29.7214 178.6923 95 Q 3.9010 8.1728 118.0249 59.0184 28.8087 177.8464 96 Y 4.1310 8.2595 120.6881 61.0172 38.8403 178.1774 97 E 3.7561 8.6238 119.5822 59.2804 29.1061 179.3111 98 S 4.0509 7.9438 113.0239 61.6086 62.5159 176.3790 99 I 3.8989 7.6887 122.3848 64.2786 36.8686 177.9549 100 N 4.2625 8.4536 118.3056 56.5638 38.6338 176.7233 101 N 4.3485 8.0887 119.4049 55.8046 38.4699 177.1168 102 D 4.3372 7.8616 119.7188 57.1956 40.9038 178.7271 103 S 3.3267 8.0655 113.8900 61.4363 62.3651 176.4234 104 T 3.9150 8.0786 112.5605 64.3436 68.4675 176.1533 105 E 3.9633 8.0829 122.4948 59.3304 29.5199 178.9501 106 I 3.6414 7.2736 119.8689 64.1798 37.0487 177.8088 107 N 4.1880 7.9727 117.4984 56.4327 38.4494 177.2475 108 K 3.8929 7.8937 120.4762 59.5107 32.3091 178.8870 109 L 3.9899 7.6796 118.9913 57.7550 41.4650 179.4186 110 L 3.9518 8.0674 119.0656 57.9081 41.5632 179.7122 111 I 3.6722 7.9705 119.8650 64.1844 37.0002 178.3280 112 S 4.0293 8.0831 113.9496 61.4860 62.0438 176.0283 113 I 3.7131 7.5637 120.8688 64.7447 37.0222 178.0284 114 I 3.8992 7.8938 121.6059 65.0463 37.0542 178.9265 115 K 4.3016 8.5762 125.4816 59.5693 31.7781 180.0472 116 T 4.4464 8.2312 117.6113 63.7821 68.5758 178.9036 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 R 8.35 4.34 0.00 1.85 1.80 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 3 E 9.11 4.00 0.00 2.06 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 2.23 1.94 0.00 4 D 8.81 4.52 0.00 2.69 2.59 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 *6 K 8.22 4.48 0.00 2.06 1.95 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.01 7.81 7 D 8.03 4.45 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 8 N 8.09 4.40 0.00 2.85 2.92 0.00 0.00 6.78 7.68 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 9 V 7.74 3.65 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 1.18 0.00 0.00 0.94 0.00 0.00 10 V 7.92 3.61 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 0.79 0.00 0.00 0.90 0.00 0.00 11 K 7.96 3.88 0.00 2.01 2.05 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.32 7.81 12 D 7.93 4.35 0.00 2.85 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 13 K 8.42 4.05 0.00 1.92 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.72 1.59 7.81 14 S 8.35 4.23 0.00 4.09 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 15 L 8.00 4.04 0.00 1.92 1.78 0.94 0.93 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 16 E 8.30 4.01 0.00 2.20 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 2.55 2.50 0.00 17 F 8.57 4.14 0.00 3.22 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 18 A 8.39 3.95 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 19 V 7.69 3.49 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 1.01 0.00 0.00 0.98 0.00 0.00 20 R 7.81 3.83 0.00 1.77 1.79 0.00 3.20 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 21 I 7.74 3.50 1.78 0.00 0.00 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 0.41 0.54 0.90 0.00 0.00 22 V 8.00 3.59 2.20 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 1.05 0.00 0.00 0.91 0.00 0.00 23 N 8.31 4.38 0.00 2.90 2.85 0.00 0.00 6.71 6.26 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 24 L 8.23 4.00 0.00 1.71 1.84 0.99 1.16 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 25 Y 8.37 4.03 0.00 3.14 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 26 K 8.27 3.82 0.00 2.10 1.89 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.75 7.81 27 F 8.35 4.09 0.00 3.09 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 28 L 8.12 3.71 0.00 1.65 1.46 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.47 3.08 1.66 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 1.13 0.00 0.00 0.19 0.00 0.00 30 N 8.12 4.32 0.00 2.74 2.80 0.00 0.00 7.09 7.42 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 31 E 7.73 4.15 0.00 1.33 1.71 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 2.19 2.12 0.00 32 Q 7.39 4.08 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.85 0.00 0.00 0.00 0.00 0.00 1.41 2.15 0.00 33 K 7.36 3.53 0.00 1.76 1.80 0.00 1.80 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.28 7.81 34 E 7.55 4.15 0.00 1.58 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 1.58 1.47 0.00 35 F 8.28 4.82 0.00 3.06 2.92 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 0.00 0.00 0.00 36 V 8.02 3.87 2.15 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 0.98 0.00 0.00 0.97 0.00 0.00 *38 S 7.96 4.38 0.00 3.94 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 39 K 7.51 4.14 0.00 2.06 1.88 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.35 7.81 40 Q 7.40 3.73 0.00 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.10 1.61 0.00 41 I 7.06 3.89 1.81 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.27 0.99 0.00 0.00 42 L 8.03 3.84 0.00 1.60 1.58 0.67 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.75 3.82 0.00 1.99 2.04 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 44 S 7.72 4.58 0.00 4.35 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 45 G 8.41 3.88 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 0.00 0.00 0.00 46 T 7.90 4.25 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 1.16 0.00 0.00 47 S 7.98 4.29 0.00 4.13 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 48 I 7.53 3.80 1.96 0.00 0.00 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 1.56 1.07 0.88 0.00 0.00 49 G 8.16 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 50 A 7.74 4.01 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 51 N 8.33 4.37 0.00 2.96 3.03 0.00 0.00 7.04 6.73 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 52 I 7.75 3.68 2.01 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 1.35 0.98 0.92 0.00 0.00 53 R 8.05 3.94 0.00 1.91 2.15 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 54 E 8.23 4.10 0.00 2.24 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 2.34 2.49 0.00 55 A 8.40 4.05 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 56 E 8.25 4.16 0.00 2.16 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 0.00 2.64 2.56 0.00 57 Q 7.70 4.42 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 58 A 7.70 4.12 1.45 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 0.00 0.00 59 Q 8.61 4.34 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 60 S 7.72 4.94 0.00 4.00 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 61 R 8.53 4.01 0.00 1.84 1.98 0.00 3.26 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 62 A 8.15 4.28 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 63 D 8.04 4.37 0.00 2.73 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 64 F 8.43 4.38 0.00 3.14 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 65 I 8.19 3.53 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.82 0.90 0.00 0.00 66 N 8.23 4.29 0.00 2.95 2.85 0.00 0.00 7.05 6.71 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 67 K 8.22 3.99 0.00 1.80 1.98 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.63 7.81 68 L 7.77 3.85 0.00 1.61 1.51 0.42 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.24 4.25 0.00 2.79 2.93 0.00 0.00 7.16 8.52 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 70 I 7.87 3.71 2.06 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 1.44 0.84 0.97 0.00 0.00 71 A 8.08 3.98 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 72 L 8.18 3.83 0.00 1.79 1.84 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.09 3.89 0.00 1.96 2.02 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 74 E 8.37 4.01 0.00 2.22 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 0.00 2.56 2.49 0.00 75 A 8.28 4.02 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 76 N 8.32 4.59 0.00 2.96 2.87 0.00 0.00 6.21 7.17 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 77 E 8.61 3.95 0.00 2.06 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 2.59 2.34 0.00 78 T 8.34 4.23 4.59 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 1.56 0.00 0.00 79 E 8.49 4.14 0.00 2.24 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 2.54 2.37 0.00 80 Y 8.02 4.03 0.00 2.89 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 81 W 8.31 4.19 0.00 3.68 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 82 L 8.55 4.19 0.00 2.07 2.04 1.05 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.45 3.83 0.00 2.22 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 2.20 2.23 0.00 84 L 7.81 3.81 0.00 1.39 1.75 0.86 0.54 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 85 L 8.30 4.15 0.00 2.01 1.87 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.89 3.69 1.61 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 1.15 1.02 0.17 0.00 0.00 87 R 8.00 3.98 0.00 1.81 1.93 0.00 3.27 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 88 T 7.66 4.45 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 89 E 7.81 3.82 0.00 2.03 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 2.18 2.21 0.00 90 Y 8.06 4.16 0.00 3.08 3.08 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 0.00 0.00 0.00 0.00 91 I 7.52 4.97 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 1.09 0.00 0.00 92 T 8.90 4.28 4.26 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 1.23 0.00 0.00 93 R 8.44 3.94 0.00 1.96 2.00 0.00 3.57 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 94 E 8.15 3.94 0.00 2.08 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 2.36 2.40 0.00 95 Q 8.17 3.90 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 96 Y 8.26 4.13 0.00 3.07 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 97 E 8.62 3.76 0.00 2.05 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 2.45 2.69 0.00 98 S 7.94 4.05 0.00 3.98 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 99 I 7.69 3.90 1.88 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 1.37 0.79 0.98 0.00 0.00 100 N 8.45 4.26 0.00 2.06 2.23 0.00 0.00 7.23 6.72 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 0.00 101 N 8.09 4.35 0.00 2.95 2.82 0.00 0.00 6.76 7.68 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 0.00 102 D 7.86 4.34 0.00 3.10 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 0.00 103 S 8.07 3.33 0.00 3.96 3.88 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 0.00 104 T 8.08 3.92 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 1.22 0.00 0.00 105 E 8.08 3.96 0.00 2.11 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 0.00 2.26 2.33 0.00 106 I 7.27 3.64 1.77 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 1.42 0.36 0.79 0.00 0.00 107 N 7.97 4.19 0.00 3.00 2.85 0.00 0.00 6.67 7.98 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 0.00 108 K 7.89 3.89 0.00 1.91 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 109 L 7.68 3.99 0.00 1.67 1.68 0.90 1.08 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 0.00 110 L 8.07 3.95 0.00 1.77 1.65 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.97 3.67 1.98 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 1.38 0.60 0.90 0.00 0.00 112 S 8.08 4.03 0.00 3.99 4.01 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 0.00 0.00 0.00 113 I 7.56 3.71 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.76 1.05 0.00 0.00 114 I 7.89 3.90 2.02 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 1.30 0.45 0.89 0.00 0.00 115 K 8.58 4.30 0.00 1.80 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.32 7.81 116 T 8.23 4.45 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 * Residues marked with a * may have inaccurate shift predictions.