NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3008 8.1227 123.5850 51.5741 19.9902 175.8916 3 V 3.8128 8.3157 121.3823 62.7245 32.3448 172.1846 4 E 4.4472 10.2862 126.9810 56.7979 33.6213 175.0847 5 Y 5.2490 7.9193 115.0570 55.9119 42.7977 174.3793 6 L 5.0353 8.7655 124.3370 53.5614 44.2893 175.0472 7 V 4.7522 9.1730 127.9852 61.4653 33.1677 175.2843 8 D 4.3666 8.1248 127.3593 51.8095 41.8872 176.9844 9 A 3.9441 8.4404 119.4449 55.5061 17.9906 179.7348 10 S 3.9518 7.9325 111.7897 61.5556 63.1103 176.4464 11 A 4.0227 8.1993 124.5870 54.5507 18.1839 178.9435 12 L 3.7056 8.2634 119.2884 58.7934 41.7044 178.6968 13 Y 3.8483 8.3033 115.9032 61.2243 37.7431 178.6605 14 A 4.1582 7.7932 119.7547 54.3915 18.6322 178.9399 15 L 4.3376 7.8332 117.3214 57.0236 41.8079 178.6170 16 A 4.1262 7.9785 120.8146 55.4958 18.3212 178.4505 17 A 4.2587 7.4735 113.5453 54.1600 18.8491 177.4370 18 H 5.1070 8.9578 114.7429 55.2060 30.2378 175.6384 19 Y 3.1869 8.5671 122.1184 60.7943 38.6648 177.9109 20 D 4.1881 8.2253 117.2395 57.4430 40.8661 178.1847 21 K 4.2228 7.7982 116.2196 57.7064 32.3767 177.5223 22 W 5.1500 7.2711 113.7571 55.4094 29.9034 177.1205 23 I 3.5291 6.7012 112.8555 63.4880 36.7362 177.9052 24 K 3.7856 7.8535 121.1737 59.1208 32.2576 176.7397 25 H 4.8530 8.6386 114.7922 55.2902 29.1956 176.5739 26 R 3.9171 7.9009 119.5823 59.5323 28.8326 178.0379 27 E 4.2890 8.1378 112.6742 56.6006 29.9954 176.8098 28 K 4.5541 8.4132 121.0186 56.3937 33.0446 175.4402 29 L 5.4087 7.8670 118.6865 53.7074 44.2368 175.3483 30 A 5.2583 8.8141 122.4087 51.0352 23.6483 174.6625 31 I 4.9554 9.0277 112.3522 59.7459 42.1338 174.0164 32 L 4.8726 8.3604 121.2591 53.1828 43.7573 178.0601 33 H 4.1948 8.8424 117.4282 59.0657 29.1914 177.8307 34 L 4.1122 8.2261 120.4828 58.6392 41.7245 178.7000 35 T 3.9877 7.7834 115.2245 67.0637 68.4228 176.2606 36 I 3.6272 7.5084 121.2734 64.7349 37.1050 178.1687 37 Y 4.0664 7.8271 116.9153 60.8828 37.9021 177.8695 38 E 3.9443 8.6362 119.6953 59.4851 29.6233 179.3633 39 A 4.2656 8.4976 121.2123 55.0208 18.4599 179.9232 40 G 3.6414 8.1644 104.3625 48.0531 0.0000 175.4969 41 N 4.5105 8.5237 119.4617 56.3070 38.5634 176.8336 42 A 4.0231 8.0618 122.1537 55.1203 18.3154 179.3256 43 L 4.2157 8.3402 118.4774 57.4640 42.1662 178.9668 44 W 4.2114 8.3833 128.8721 60.4080 30.7191 178.1940 45 K 3.5753 8.3929 118.4169 59.0489 31.1338 179.2923 46 E 3.9180 7.6944 117.7555 59.2001 29.6557 178.8056 47 A 4.1494 7.6215 120.7375 55.3504 18.2436 179.6394 48 R 3.5925 7.5794 115.4552 59.0276 30.0045 178.0988 49 L 4.6413 7.4664 116.4467 53.6636 43.0401 174.7149 50 G 3.5499 8.6178 112.8541 45.4772 0.0000 172.3729 51 R 4.4109 7.9096 122.5555 54.5086 32.1621 174.5561 52 V 3.7965 8.7887 126.3532 66.0972 31.7335 176.7052 53 D 4.1491 8.0546 117.7174 52.6289 40.7080 177.8449 54 W 3.7270 9.1207 118.1948 58.9878 29.7707 177.4392 55 A 3.3329 6.6233 117.8852 54.1143 18.0536 179.0657 56 A 3.8598 7.5081 118.4206 55.2014 18.5556 179.1933 57 A 4.0112 8.0716 119.1023 55.6801 18.3869 179.8338 58 S 4.1753 8.3537 112.6438 61.8070 62.5007 176.9694 59 R 3.9616 7.9527 121.5225 59.0548 29.7071 178.6628 60 H 4.2831 7.8431 115.8580 58.5695 28.6922 177.2948 61 L 3.9857 8.1374 121.6733 57.8673 41.9185 178.6505 62 K 4.1169 7.9869 119.1392 59.2473 32.2111 178.4989 63 K 4.2630 7.4374 119.7240 58.7900 32.4110 179.6998 64 V 3.9877 7.8334 115.8095 63.8395 31.4949 177.1764 *66 S 4.5661 7.9983 110.6071 57.4514 64.5780 174.9633 67 S 4.5234 8.2738 116.6432 59.7908 63.2399 174.1166 68 F 4.8623 8.2565 118.0095 56.0351 40.9140 175.5503 69 K 4.5599 8.5127 120.0328 55.7144 34.1073 176.0488 70 V 4.8328 8.1614 122.0499 61.1950 33.3254 175.4577 71 L 4.4767 8.5467 128.1276 53.8720 42.7261 176.8395 72 E 4.2545 8.5835 119.6996 56.1541 30.1041 177.0194 73 D 4.5303 8.4595 121.3413 53.6839 41.4897 175.0500 74 P 4.5509 0.0000 0.0000 61.6446 32.4515 174.2414 75 P 4.4283 0.0000 0.0000 61.9176 30.6078 177.2744 76 L 4.1047 8.8394 125.9082 58.4146 41.8476 177.8907 77 D 4.2334 8.0133 116.4277 57.8511 41.6286 177.3404 78 E 3.9094 8.2125 117.5373 59.3830 29.7524 181.0743 79 V 3.2644 6.5744 115.5523 62.6362 30.9907 177.7928 *81 R 4.2005 8.2001 119.5200 55.8850 31.7673 177.4413 82 V 3.6203 7.6848 116.6008 65.7175 31.3261 177.7986 83 A 3.9297 8.4147 120.9073 55.1468 18.1063 179.7247 84 V 3.5104 7.6809 115.9859 66.2339 31.5172 177.7033 85 E 3.9917 7.9139 116.5742 59.8285 29.3992 178.5135 86 R 4.2517 8.4163 115.3117 55.4543 30.2193 177.1236 87 G 4.0378 7.4799 105.4613 47.1136 0.0000 173.2137 88 L 4.8321 7.8709 116.1917 52.0642 45.6057 177.6935 89 T 4.1706 8.0877 111.2852 61.4742 70.9004 175.2274 90 F 3.9524 8.3934 122.2292 61.3955 39.3669 176.5708 91 Y 4.4319 7.5884 115.9754 61.3353 37.7838 178.1679 92 D 4.6895 8.6834 119.9375 57.4433 41.0056 178.7271 93 A 4.0835 8.1037 121.0483 54.8019 18.1298 179.8681 94 S 3.8176 7.6740 114.0188 62.0846 62.9144 176.3860 95 Y 4.0516 7.5405 117.5939 60.8938 37.6220 178.6138 96 A 4.0252 8.1641 121.6935 55.3307 18.5764 178.9964 97 Y 3.8668 8.5247 118.1873 60.8825 38.9636 178.3410 98 V 3.4686 8.1667 119.0841 65.8361 31.5758 177.6306 99 A 3.9740 8.1210 120.3800 55.3661 18.2030 179.3285 100 E 3.8137 8.1289 116.9084 59.6308 29.4418 179.9078 101 S 3.8681 7.9596 112.5934 60.7554 62.9310 175.2031 102 S 4.3800 7.8916 115.1670 57.6220 63.1061 173.9232 103 G 3.7838 7.9138 108.5809 46.9116 0.0000 173.3960 104 L 4.6510 8.0439 118.0993 52.4813 45.3756 176.7802 105 V 4.1434 8.0953 120.5674 61.3419 32.8950 174.7064 106 L 4.6133 8.5703 131.2540 55.0628 43.5857 175.4160 107 V 4.6830 9.0763 127.5789 61.7315 33.0403 174.2705 108 T 5.0557 8.7138 122.0472 60.7325 71.0786 173.8139 109 Q 4.3566 8.7958 124.6931 55.9728 30.3123 175.6963 110 D 4.4113 8.2060 118.6110 54.6919 42.0742 176.6985 111 R 3.9326 8.6068 126.7785 59.1181 29.9664 178.5549 112 E 3.9170 8.1617 118.3680 59.3264 29.9848 178.5833 113 L 4.1422 8.0900 118.4525 57.7088 41.5234 179.1041 114 L 3.9526 7.8024 117.6058 58.0850 41.7222 179.4278 115 A 4.2083 7.7911 118.3205 53.9054 18.2644 178.8150 116 K 4.6922 7.4475 114.6485 55.2387 33.1433 175.9598 117 T 4.6502 7.2616 116.3598 61.2242 71.0547 173.4669 118 K 3.9138 8.7239 127.0802 58.2476 32.2167 177.4531 119 G 3.8631 9.0162 111.3729 45.4110 0.0000 172.8912 120 A 4.5807 7.6838 121.1852 51.7246 19.2952 177.3324 121 I 4.7758 8.7567 113.6107 59.2954 42.2814 174.2355 122 D 5.6930 8.1603 121.7599 51.6365 42.0272 177.2147 123 V 3.5359 8.0764 115.4957 65.9684 31.3440 177.6824 124 E 3.8820 8.1689 118.7506 59.7278 29.4710 178.6649 125 T 3.7862 8.1635 115.3961 66.7047 68.5041 176.0173 126 L 3.7117 7.6661 121.4743 58.4881 41.8902 179.3021 127 L 3.9387 7.8758 118.5685 57.9185 41.7366 179.9258 128 V 3.7222 7.6615 111.6738 63.9698 31.3981 179.0635 129 R 3.9272 8.0273 118.2200 59.3157 29.8227 178.8995 130 L 3.8602 7.8724 117.2505 57.5992 41.5534 179.2737 131 A 4.1311 7.8511 120.0306 55.0648 18.4439 179.3380 132 A 4.0783 7.6664 117.7397 54.8542 18.4628 178.1151 133 Q 4.2742 7.8631 120.6680 56.3254 29.0720 175.7235 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 A 8.12 4.30 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 3 V 8.32 3.81 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 0.84 0.00 0.00 1.04 0.00 0.00 4 E 10.29 4.45 0.00 1.87 1.12 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 2.02 2.17 0.00 5 Y 7.92 5.25 0.00 2.92 2.90 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 6 L 8.77 5.04 0.00 1.84 1.61 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.17 4.75 1.85 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 0.62 0.00 0.00 0.94 0.00 0.00 8 D 8.12 4.37 0.00 1.58 1.54 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 9 A 8.44 3.94 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 10 S 7.93 3.95 0.00 3.99 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 11 A 8.20 4.02 1.31 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 0.00 0.00 0.00 12 L 8.26 3.71 0.00 1.61 1.94 0.99 0.59 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 13 Y 8.30 3.85 0.00 3.19 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 14 A 7.79 4.16 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 15 L 7.83 4.34 0.00 1.94 1.56 0.59 0.29 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 16 A 7.98 4.13 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 17 A 7.47 4.26 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 18 H 8.96 5.11 0.00 3.47 3.40 0.00 5.66 0.00 0.00 0.00 0.00 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.57 3.19 0.00 3.01 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 20 D 8.23 4.19 0.00 2.66 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 21 K 7.80 4.22 0.00 2.02 1.93 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.41 7.81 22 W 7.27 5.15 0.00 3.51 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 23 I 6.70 3.53 1.42 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.03 -0.21 0.00 0.00 24 K 7.85 3.79 0.00 1.58 1.66 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.18 1.34 7.81 25 H 8.64 4.85 0.00 3.33 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.90 3.92 0.00 2.01 2.38 0.00 2.76 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 27 E 8.14 4.29 0.00 2.13 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 2.30 2.25 0.00 28 K 8.41 4.55 0.00 2.03 2.02 0.00 1.86 0.00 0.00 2.10 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.43 7.81 29 L 7.87 5.41 0.00 1.90 1.81 0.98 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.81 5.26 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 31 I 9.03 4.96 1.83 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 1.43 0.92 0.47 0.00 0.00 32 L 8.36 4.87 0.00 1.49 1.50 0.23 1.14 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 33 H 8.84 4.19 0.00 3.43 3.50 0.00 5.63 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 34 L 8.23 4.11 0.00 1.69 1.63 0.94 0.78 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 35 T 7.78 3.99 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 1.18 0.00 0.00 36 I 7.51 3.63 1.60 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 1.47 0.78 0.64 0.00 0.00 37 Y 7.83 4.07 0.00 3.13 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 38 E 8.64 3.94 0.00 2.26 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 2.27 2.20 0.00 39 A 8.50 4.27 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 40 G 8.16 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.52 4.51 0.00 2.94 2.90 0.00 0.00 7.12 7.30 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 42 A 8.06 4.02 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 43 L 8.34 4.22 0.00 2.11 2.05 1.19 0.96 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 44 W 8.38 4.21 0.00 3.48 3.38 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 45 K 8.39 3.58 0.00 1.95 1.72 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.86 7.81 46 E 7.69 3.92 0.00 2.21 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 2.40 2.57 0.00 47 A 7.62 4.15 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 48 R 7.58 3.59 0.00 1.10 1.56 0.00 3.05 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 49 L 7.47 4.64 0.00 1.60 1.61 0.85 0.71 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 50 G 8.62 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.91 4.41 0.00 1.82 1.93 0.00 3.45 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 52 V 8.79 3.80 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 0.84 0.00 0.00 0.96 0.00 0.00 53 D 8.05 4.15 0.00 2.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 9.12 3.73 0.00 3.56 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.62 3.33 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 56 A 7.51 3.86 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 57 A 8.07 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.35 4.18 0.00 4.19 4.51 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 0.00 0.00 0.00 0.00 59 R 7.95 3.96 0.00 1.91 1.88 0.00 3.03 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 60 H 7.84 4.28 0.00 3.28 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.14 3.99 0.00 1.83 1.86 1.02 0.58 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 62 K 7.99 4.12 0.00 1.93 2.03 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 63 K 7.44 4.26 0.00 1.78 1.90 0.00 1.62 0.00 0.00 1.24 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.29 7.81 64 V 7.83 3.99 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 1.62 0.00 0.00 1.08 0.00 0.00 *66 S 8.00 4.57 0.00 4.14 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 0.00 67 S 8.27 4.52 0.00 4.26 3.99 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 68 F 8.26 4.86 0.00 2.91 3.05 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 69 K 8.51 4.56 0.00 1.76 1.77 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.44 7.81 70 V 8.16 4.83 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 0.49 0.00 0.00 0.95 0.00 0.00 71 L 8.55 4.48 0.00 1.60 1.61 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.58 4.25 0.00 2.00 1.93 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 2.36 2.37 0.00 73 D 8.46 4.53 0.00 2.71 2.65 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 74 P 0.00 4.55 0.00 1.96 2.13 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 75 P 0.00 4.43 0.00 2.07 1.96 0.00 3.50 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 76 L 8.84 4.10 0.00 1.73 1.73 0.82 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.01 4.23 0.00 2.64 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 78 E 8.21 3.91 0.00 1.16 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 2.13 2.20 0.00 79 V 6.57 3.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.60 0.00 0.00 *81 R 8.20 4.20 0.00 1.89 2.10 0.00 3.24 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 82 V 7.68 3.62 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 1.07 0.00 0.00 1.08 0.00 0.00 83 A 8.41 3.93 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 84 V 7.68 3.51 2.08 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 1.06 0.00 0.00 0.94 0.00 0.00 85 E 7.91 3.99 0.00 2.13 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 2.35 2.40 0.00 86 R 8.42 4.25 0.00 1.90 1.95 0.00 3.33 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 87 G 7.48 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 88 L 7.87 4.83 0.00 1.58 1.56 0.94 0.73 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 89 T 8.09 4.17 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 1.25 0.00 0.00 90 F 8.39 3.95 0.00 3.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.43 0.00 3.16 3.19 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 92 D 8.68 4.69 0.00 2.78 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 93 A 8.10 4.08 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 94 S 7.67 3.82 0.00 3.87 3.69 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 95 Y 7.54 4.05 0.00 3.31 3.01 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 96 A 8.16 4.03 1.44 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 0.00 0.00 0.00 97 Y 8.52 3.87 0.00 3.03 3.10 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 0.00 0.00 0.00 98 V 8.17 3.47 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 0.96 0.00 0.00 1.03 0.00 0.00 99 A 8.12 3.97 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 0.00 100 E 8.13 3.81 0.00 2.06 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 2.29 2.29 0.00 101 S 7.96 3.87 0.00 3.55 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 0.00 102 S 7.89 4.38 0.00 3.97 3.90 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 0.00 103 G 7.91 3.78 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 0.00 0.00 0.00 104 L 8.04 4.65 0.00 1.46 1.54 0.92 0.67 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 0.00 105 V 8.10 4.14 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 1.17 0.00 0.00 0.83 0.00 0.00 106 L 8.57 4.61 0.00 1.81 1.56 0.95 0.84 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 0.00 107 V 9.08 4.68 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 0.80 0.00 0.00 0.96 0.00 0.00 108 T 8.71 5.06 4.16 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 1.17 0.00 0.00 109 Q 8.80 4.36 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 110 D 8.21 4.41 0.00 2.68 2.51 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 0.00 0.00 0.00 0.00 111 R 8.61 3.93 0.00 1.93 1.96 0.00 3.31 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 112 E 8.16 3.92 0.00 1.94 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 0.00 2.33 2.41 0.00 113 L 8.09 4.14 0.00 1.71 1.69 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.80 3.95 0.00 1.81 1.75 0.91 0.75 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 0.00 115 A 7.79 4.21 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 0.00 116 K 7.45 4.69 0.00 1.72 1.81 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.58 7.81 117 T 7.26 4.65 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 0.00 118 K 8.72 3.91 0.00 1.75 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.40 7.81 119 G 9.02 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 0.00 0.00 0.00 120 A 7.68 4.58 1.31 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 0.00 0.00 0.00 121 I 8.76 4.78 1.88 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 1.35 0.89 0.96 0.00 0.00 122 D 8.16 5.69 0.00 2.80 2.85 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 0.00 123 V 8.08 3.54 2.13 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 0.99 0.00 0.00 1.04 0.00 0.00 124 E 8.17 3.88 0.00 2.07 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 2.37 2.41 0.00 125 T 8.16 3.79 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 1.22 0.00 0.00 126 L 7.67 3.71 0.00 1.49 1.65 -0.28 0.32 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 0.00 127 L 7.88 3.94 0.00 1.90 1.67 0.85 1.05 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 0.00 128 V 7.66 3.72 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 0.98 0.00 0.00 0.96 0.00 0.00 129 R 8.03 3.93 0.00 2.01 2.02 0.00 3.28 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 130 L 7.87 3.86 0.00 1.66 1.54 0.83 0.98 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 0.00 131 A 7.85 4.13 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 0.00 132 A 7.67 4.08 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 0.00 133 Q 7.86 4.27 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.49 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 * Residues marked with a * may have inaccurate shift predictions.