NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 L 4.3665 8.1801 120.9954 55.8844 41.1199 176.2094 19 A 4.8050 8.5818 123.3295 51.1992 22.0545 174.5462 20 K 4.6469 8.3567 112.7037 56.0454 35.7162 176.1767 21 G 3.8305 8.3929 106.9698 47.6654 0.0000 172.9913 22 Y 4.8938 7.5206 117.9440 56.4153 41.7884 171.3302 23 R 3.4501 8.8532 128.8444 55.8954 28.0281 176.1787 24 G 3.4445 8.1599 114.8058 43.2949 0.0000 171.4852 25 Q 3.7782 7.3937 123.7726 56.5572 29.5218 177.4316 26 R 4.2874 8.1390 115.7399 56.1384 29.9855 177.1764 27 S 4.2691 7.6723 113.3806 58.9218 62.9675 175.0374 28 R 4.0928 8.4718 123.6749 59.4323 29.4885 179.0029 29 S 4.2734 8.0385 113.4631 61.1234 62.4179 174.7441 30 Y 3.9977 8.2095 121.7301 61.1563 38.0892 178.1407 31 R 3.8554 8.0446 117.1036 59.6025 30.3260 179.0424 32 R 3.8577 7.5179 115.3010 59.2224 30.1387 178.3740 33 A 3.9114 7.8175 120.6085 55.0340 18.1664 179.4342 34 K 3.6399 7.5880 117.2337 59.5624 32.2114 178.1982 35 E 3.9933 7.5678 118.1121 59.1092 29.7970 178.4316 36 A 4.1879 7.7370 120.4072 54.9161 18.4438 180.7577 37 V 3.4565 7.7052 114.8154 63.6999 31.5149 177.9332 *39 R 4.3340 8.0893 117.8368 55.7305 32.3530 177.9406 40 A 4.0733 8.2585 119.7979 55.1609 18.3295 179.2059 41 L 3.9351 7.9037 117.4808 58.3930 41.8002 179.1533 42 Y 4.0002 8.0351 118.2890 61.0860 38.7791 177.4773 43 Y 4.0400 7.8195 117.1265 61.2526 38.0464 178.8901 44 Q 3.9618 8.2669 118.6847 59.2849 29.0384 177.9000 45 Y 4.0767 8.2045 120.5419 61.1525 38.6566 178.6025 46 R 3.7070 8.0160 119.2460 59.3306 30.0615 178.2142 47 D 4.2909 7.9982 118.7672 57.1008 40.6687 178.5958 48 R 3.7786 7.9219 119.1819 59.4402 30.1418 178.5861 49 K 3.7138 7.4997 117.7716 59.5484 32.0251 179.4145 50 L 3.9065 7.8950 119.0941 57.5567 41.2762 179.4518 51 R 4.4520 8.0789 120.4013 58.8681 29.9212 178.5592 52 K 4.0395 8.2375 119.3028 59.0038 32.2246 178.6779 53 R 3.8880 7.5503 118.8723 59.0173 29.8905 178.0305 54 E 3.7853 7.8430 118.5025 59.2697 29.3067 179.3578 55 F 3.7257 7.2770 117.4792 60.4387 38.8892 177.5101 56 R 3.8574 7.5064 118.3247 59.7229 29.6969 178.7491 57 R 3.8614 7.6629 117.2400 59.1731 30.0590 178.7797 58 L 4.0815 7.4495 120.1640 57.7227 42.0603 178.7489 59 W 4.8061 8.6555 119.6270 60.2636 28.9950 178.4819 60 I 3.8628 7.8225 119.4146 63.9340 36.6448 178.2547 61 A 3.9959 7.9132 121.3107 55.1034 18.2400 179.7592 62 R 3.8714 8.5711 117.5833 59.6350 30.3830 178.7068 63 I 3.7363 7.9050 119.6578 64.3682 37.1367 177.7023 64 N 4.4779 8.6018 117.6809 57.0464 38.6241 176.5970 65 A 4.1325 7.7525 119.7466 55.1831 18.3963 179.1785 66 A 4.1930 7.7149 118.5972 55.1078 18.9237 179.4236 67 V 4.0362 7.6678 108.2693 61.8781 31.7552 178.2386 68 R 4.1891 7.9686 119.9989 58.9902 29.8686 178.1293 69 A 4.1334 8.0577 120.0006 54.5984 18.4813 177.4040 70 Y 4.4174 7.9403 111.5994 57.3087 38.3892 175.4223 71 G 3.8046 9.3556 107.7228 46.0479 0.0000 173.4124 72 L 4.7012 7.8965 117.2589 52.2970 46.5855 174.7628 73 N 5.2014 8.2584 116.5480 50.3837 41.6793 174.4345 74 Y 4.1458 9.5367 122.6448 61.3827 38.9059 179.0830 75 S 4.1816 8.3017 115.1260 62.1914 62.6379 176.7952 76 T 4.0043 8.5323 118.3607 66.3184 68.1701 176.8188 77 F 4.4191 8.2728 122.8716 60.9356 39.4152 177.3993 78 I 3.3991 7.3077 119.3445 64.1761 36.9536 177.7227 79 N 4.6154 7.8161 114.0560 54.6732 38.4226 176.5285 80 G 3.8208 7.4615 106.6461 46.5886 0.0000 175.9990 81 L 3.7950 7.4861 121.3549 57.5571 41.5624 179.8831 82 K 4.0247 7.9167 117.9404 58.6333 31.7133 178.4989 83 K 4.2814 7.4277 115.9997 56.2104 32.3130 176.8358 84 A 4.4906 7.5809 120.8711 51.0911 20.3317 176.8342 85 G 3.7174 7.5950 102.9191 46.5096 0.0000 173.7743 86 I 4.2084 7.4418 120.6254 59.3612 38.0778 176.2584 87 E 4.4301 8.4516 127.9413 54.1339 28.3110 173.9937 88 L 4.8283 7.5640 121.1519 51.7026 45.8834 176.9375 89 D 4.7048 8.3444 121.4689 53.7364 43.1337 177.9836 90 R 3.8100 8.6644 121.0141 59.4589 29.9561 179.5074 91 K 2.8366 7.9416 118.0403 59.2441 32.5151 179.4044 92 I 3.6099 7.3078 119.9117 64.3998 37.3457 177.3568 93 L 4.0819 8.3685 118.5452 58.2708 41.5776 178.9246 94 A 3.9311 7.9662 120.7200 55.3625 18.4673 179.1919 95 D 4.1278 7.2347 112.6281 55.1679 40.7443 177.6013 *97 A 3.5248 7.9238 121.5469 50.6401 20.2573 178.2956 98 V 4.1741 7.4225 112.9037 63.3344 33.8313 176.7217 99 R 4.0806 8.0543 119.5364 58.6680 30.3742 176.2836 100 D 4.7410 7.5069 117.0162 50.4125 41.7582 172.8429 101 P 4.3833 0.0000 0.0000 65.3761 31.4361 177.7025 102 Q 4.0812 8.0501 114.7812 59.1493 29.1173 177.8194 103 A 4.1188 8.7052 123.0950 54.8429 18.3302 179.2023 104 F 4.0894 8.3379 119.2320 61.4833 39.3092 176.8848 105 E 3.4960 8.0177 118.3434 59.1626 29.3894 178.6176 106 Q 3.8899 7.7036 117.4948 59.0878 28.9481 178.8493 107 V 3.4830 7.6884 118.4023 66.1828 31.3226 177.9453 108 V 3.5473 7.0553 117.1727 66.1445 31.1994 177.5711 109 N 4.2304 8.0510 116.1450 56.3645 37.9455 177.3252 110 K 3.9023 8.5651 120.6935 58.6696 32.1228 178.5769 111 V 3.8027 7.3981 117.8367 65.2282 31.7707 177.9523 112 K 4.0031 8.6276 118.6005 59.2551 31.5656 179.3038 113 E 3.9203 8.2741 118.4506 59.4124 29.5245 178.8837 114 A 4.1147 7.4276 118.6346 55.0876 18.4168 179.3743 115 L 4.3197 7.8792 117.0970 57.0387 42.4762 178.6823 116 Q 4.1191 8.2212 125.6594 55.6242 27.1291 175.7857 117 V 4.2368 8.1277 122.2648 61.5619 33.1410 174.9552 118 Q 4.1089 8.3760 125.3463 56.1249 29.6860 175.3281 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 18 L 8.18 4.37 0.00 1.84 1.82 0.91 0.08 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 19 A 8.58 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.36 4.65 0.00 1.73 1.83 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.42 7.81 21 G 8.39 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.52 4.89 0.00 2.81 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 23 R 8.85 3.45 0.00 1.68 1.84 0.00 2.96 0.00 0.00 2.77 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.49 0.00 24 G 8.16 3.44 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 0.00 25 Q 7.39 3.78 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.23 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 26 R 8.14 4.29 0.00 1.87 1.94 0.00 3.14 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 27 S 7.67 4.27 0.00 3.92 3.89 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 0.00 0.00 0.00 28 R 8.47 4.09 0.00 2.07 2.19 0.00 3.20 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 29 S 8.04 4.27 0.00 3.94 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 30 Y 8.21 4.00 0.00 3.15 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 31 R 8.04 3.86 0.00 1.98 2.06 0.00 3.24 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.14 0.00 32 R 7.52 3.86 0.00 1.84 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 33 A 7.82 3.91 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 34 K 7.59 3.64 0.00 0.94 1.43 0.00 1.89 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.33 7.81 35 E 7.57 3.99 0.00 2.09 2.11 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 2.30 2.30 0.00 36 A 7.74 4.19 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 37 V 7.71 3.46 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 1.02 0.00 0.00 0.93 0.00 0.00 *39 R 8.09 4.33 0.00 2.17 2.24 0.00 3.31 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 40 A 8.26 4.07 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 41 L 7.90 3.94 0.00 1.75 1.78 0.92 0.80 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 42 Y 8.04 4.00 0.00 2.89 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 43 Y 7.82 4.04 0.00 3.24 3.07 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 0.00 0.00 0.00 44 Q 8.27 3.96 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 45 Y 8.20 4.08 0.00 3.07 3.04 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 46 R 8.02 3.71 0.00 1.47 1.81 0.00 3.04 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 47 D 8.00 4.29 0.00 2.91 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 48 R 7.92 3.78 0.00 1.90 1.80 0.00 3.06 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 49 K 7.50 3.71 0.00 1.60 1.66 0.00 1.44 0.00 0.00 1.07 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.92 1.01 7.81 50 L 7.90 3.91 0.00 1.67 1.60 0.87 0.62 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 51 R 8.08 4.45 0.00 1.83 2.04 0.00 3.08 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.21 0.00 52 K 8.24 4.04 0.00 1.89 1.95 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 53 R 7.55 3.89 0.00 1.97 1.92 0.00 3.08 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 54 E 7.84 3.79 0.00 1.68 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 0.00 2.14 2.38 0.00 55 F 7.28 3.73 0.00 2.69 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 0.00 0.00 0.00 56 R 7.51 3.86 0.00 1.88 1.89 0.00 3.10 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 57 R 7.66 3.86 0.00 2.00 1.88 0.00 3.10 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 58 L 7.45 4.08 0.00 1.68 1.64 1.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.66 4.81 0.00 3.55 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 60 I 7.82 3.86 1.71 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.64 0.26 0.00 0.00 61 A 7.91 4.00 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 62 R 8.57 3.87 0.00 2.01 2.15 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 63 I 7.91 3.74 2.32 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.25 1.25 0.00 0.00 64 N 8.60 4.48 0.00 3.11 2.92 0.00 0.00 7.13 7.81 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 65 A 7.75 4.13 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 66 A 7.71 4.19 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 67 V 7.67 4.04 1.94 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 -0.11 0.00 0.00 1.06 0.00 0.00 68 R 7.97 4.19 0.00 2.01 1.95 0.00 3.24 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 69 A 8.06 4.13 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 70 Y 7.94 4.42 0.00 3.01 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 71 G 9.36 3.80 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 0.00 0.00 0.00 72 L 7.90 4.70 0.00 1.85 1.56 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.26 5.20 0.00 3.20 2.92 0.00 0.00 5.50 7.57 0.00 0.00 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 Y 9.54 4.15 0.00 3.11 3.16 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 75 S 8.30 4.18 0.00 4.12 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 76 T 8.53 4.00 4.30 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 0.00 0.00 0.00 1.24 0.00 0.00 77 F 8.27 4.42 0.00 2.98 3.07 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 0.00 0.00 0.00 78 I 7.31 3.40 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.47 0.81 0.00 0.00 79 N 7.82 4.62 0.00 2.70 2.84 0.00 0.00 7.03 7.03 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 80 G 7.46 3.82 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 0.00 0.00 0.00 81 L 7.49 3.79 0.00 1.55 1.46 0.07 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.92 4.02 0.00 1.77 1.80 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.49 7.81 83 K 7.43 4.28 0.00 1.64 1.80 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.56 7.81 84 A 7.58 4.49 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 85 G 7.60 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 86 I 7.44 4.21 1.85 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 1.12 0.59 0.82 0.00 0.00 87 E 8.45 4.43 0.00 1.86 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 0.00 2.19 2.34 0.00 88 L 7.56 4.83 0.00 1.57 1.47 0.91 1.12 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 89 D 8.34 4.70 0.00 2.72 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 90 R 8.66 3.81 0.00 2.09 2.22 0.00 3.40 0.00 0.00 3.70 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 91 K 7.94 2.84 0.00 1.86 2.34 0.00 1.52 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.50 7.81 92 I 7.31 3.61 1.99 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 1.58 0.48 0.88 0.00 0.00 93 L 8.37 4.08 0.00 1.78 1.88 1.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.97 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 7.23 4.13 0.00 2.62 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 *97 A 7.92 3.52 0.45 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 98 V 7.42 4.17 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 0.80 0.00 0.00 0.83 0.00 0.00 99 R 8.05 4.08 0.00 1.77 1.94 0.00 3.23 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 100 D 7.51 4.74 0.00 2.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.24 2.16 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 102 Q 8.05 4.08 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.06 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 103 A 8.71 4.12 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.34 4.09 0.00 3.13 3.29 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 0.00 105 E 8.02 3.50 0.00 2.29 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 0.00 2.33 2.43 0.00 106 Q 7.70 3.89 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 107 V 7.69 3.48 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 0.89 0.00 0.00 108 V 7.06 3.55 1.65 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 0.55 0.00 0.00 -0.11 0.00 0.00 109 N 8.05 4.23 0.00 2.87 2.83 0.00 0.00 6.75 8.10 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 0.00 110 K 8.57 3.90 0.00 1.82 1.86 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.55 7.81 111 V 7.40 3.80 2.33 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 0.96 0.00 0.00 0.80 0.00 0.00 112 K 8.63 4.00 0.00 1.92 1.99 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 113 E 8.27 3.92 0.00 2.05 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 2.33 2.57 0.00 114 A 7.43 4.11 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 0.00 115 L 7.88 4.32 0.00 1.79 1.71 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.22 4.12 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 117 V 8.13 4.24 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 0.75 0.00 0.00 0.96 0.00 0.00 118 Q 8.38 4.11 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.42 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.