NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3883 0.0000 0.0000 62.6115 32.6546 174.9345 2 Q 4.3925 8.4588 119.4706 53.6939 31.1426 173.0395 3 I 4.4225 8.1180 125.9885 59.5820 40.1111 175.2870 4 T 4.2753 8.4002 115.7945 61.2597 69.8712 174.1224 5 L 4.7085 7.6424 118.1664 54.2775 42.4308 178.0761 6 W 4.4610 8.2313 121.7314 58.7524 29.1055 176.0459 7 K 4.7617 7.7537 114.6405 54.0361 35.0769 175.6967 8 R 3.9497 8.5305 118.2696 56.5547 30.5035 176.3188 9 P 4.6495 0.0000 0.0000 62.0650 30.0805 173.5068 10 L 5.0120 7.8372 125.6247 54.5515 43.4400 176.1535 11 V 4.6238 8.7710 115.8788 59.7997 36.7426 174.4398 12 T 4.9402 8.4512 118.7257 63.1296 69.2942 174.5481 13 I 4.8476 8.9969 119.1756 59.0018 41.7381 174.1023 14 R 5.0445 8.9068 123.2530 54.5962 32.7114 174.1592 15 I 4.5880 8.7985 126.2667 60.1202 41.9649 174.8920 16 G 4.0666 10.0014 117.1655 46.4583 0.0000 174.3849 17 G 3.9661 8.6466 108.1813 44.6201 0.0000 174.1602 18 Q 4.6479 7.9799 119.1574 53.8948 31.0174 174.3739 19 L 4.9033 8.2695 121.5941 54.1717 42.8554 176.2237 20 K 4.7483 8.9803 121.8126 54.7566 37.0809 174.9548 21 E 5.0477 8.7103 120.7850 55.5887 30.8777 175.6474 22 A 4.8419 8.9439 124.1610 50.3433 23.5982 174.4988 23 L 4.7720 8.9359 122.4722 53.7612 43.7585 175.7254 24 L 4.4146 8.6858 127.5601 54.7017 42.2794 176.4521 25 D 4.8459 9.1678 125.6740 52.2522 42.4401 176.4107 26 T 3.9992 8.6940 116.2844 63.6003 69.1171 175.6725 27 G 3.7841 8.5230 110.1413 45.6167 0.0000 172.8717 28 A 4.6559 7.8111 123.2050 50.0296 20.5503 177.7826 29 D 4.4177 8.9537 122.9392 56.6975 42.2093 175.9281 30 D 5.1143 8.0234 116.1101 52.6805 45.5467 174.8621 31 T 4.7156 7.9378 116.4314 62.2441 70.7912 174.3564 32 V 4.7980 8.8491 125.8095 61.3082 34.5602 174.1706 33 I 4.9199 8.8070 128.9215 59.0854 40.0945 175.1515 34 E 4.4631 9.7255 126.8425 55.3562 30.2072 175.9173 35 E 3.6788 8.7088 125.1991 55.8018 30.4967 176.5693 *37 N 4.4899 8.0973 120.7412 53.4070 39.6298 174.3970 38 L 4.0258 7.3089 119.4234 53.8326 42.8225 176.0995 39 P 4.6737 0.0000 0.0000 62.7788 33.2503 177.1766 40 G 4.1597 8.4060 104.6186 44.1068 0.0000 175.9979 *42 W 4.7487 8.4621 123.2236 55.8008 29.2530 173.2716 43 K 4.6423 8.7403 118.2542 54.1071 35.6948 174.0229 44 P 5.0486 0.0000 0.0000 63.4265 32.0741 175.9075 45 K 4.3213 8.6962 123.9071 55.7141 36.3391 174.5636 *47 I 4.2717 8.4633 110.4686 60.8597 38.6441 174.7130 48 G 3.3939 7.6291 109.6433 43.4870 0.0000 172.5044 49 G 3.8502 7.6127 106.2148 45.5241 0.0000 172.9996 50 I 3.8538 8.4380 123.6723 62.9976 37.4822 176.3265 51 G 3.9395 8.3951 113.9834 44.1235 0.0000 172.5031 52 G 3.9993 7.6419 104.5107 44.3190 0.0000 172.7577 53 F 5.2213 8.8096 119.9912 55.6459 41.6447 174.4904 54 I 4.8349 8.3450 116.0178 59.0552 40.7429 174.7899 55 K 4.6664 8.6008 122.4191 56.0594 33.1373 176.6269 56 V 4.6878 8.9534 116.8661 59.8437 36.8978 174.2865 57 R 4.9054 8.8284 121.5771 54.8331 32.0617 175.3243 58 Q 4.8925 9.4994 126.4529 55.1926 30.6954 173.6436 59 Y 5.1555 9.2213 124.7566 56.4714 40.4937 174.8151 60 D 5.1265 8.8797 123.0074 52.7414 43.7792 175.6151 61 Q 3.4580 8.4392 116.1496 57.1998 26.4529 174.0714 62 I 4.3572 7.8168 118.5131 59.3028 39.0257 174.6946 63 P 4.8234 0.0000 0.0000 62.7175 32.1262 176.0184 64 V 4.5301 8.7560 124.1069 61.1519 34.6761 173.4863 65 E 4.9379 9.0739 129.6075 54.4378 31.5047 176.3621 66 I 4.5444 8.7827 128.6124 61.2925 37.9764 177.3651 *68 G 3.8218 8.1369 108.3549 45.1492 0.0000 172.9929 69 H 4.6889 8.3676 119.0839 53.9271 29.6670 174.5321 70 K 4.5941 8.5426 124.4447 56.4049 32.7773 176.2231 71 A 4.9201 8.8004 124.7259 50.7154 23.4738 174.7334 72 I 4.6604 8.6583 119.1327 60.1755 41.2549 174.8875 73 G 4.0458 8.2173 117.0361 46.4591 0.0000 171.3727 74 T 4.7497 8.6503 118.4042 63.2590 69.6305 174.6802 75 V 4.4655 8.9227 125.6903 61.0755 34.9944 173.8891 76 L 5.1185 8.9711 128.1423 53.3005 43.7978 175.4145 77 V 4.7525 8.4800 124.5816 61.4068 34.0251 174.9904 78 G 4.0306 8.2372 113.7405 45.3351 0.0000 170.5464 79 P 5.0658 0.0000 0.0000 62.3074 30.7373 175.4287 80 T 4.6477 8.3054 120.0924 59.6088 70.0651 172.6745 81 P 4.4149 0.0000 0.0000 64.7897 31.7584 176.9089 82 V 4.4589 7.3073 116.6068 60.8459 34.8667 173.8808 83 N 4.7341 8.7335 124.1417 53.4131 39.8820 173.8132 84 I 4.8768 8.9697 124.3062 59.5837 40.6373 174.5328 85 I 4.3700 8.9074 129.2286 60.2339 38.5764 175.8759 86 G 4.3040 8.3930 115.7143 43.7407 0.0000 174.0139 87 R 4.0900 8.9646 118.5457 58.8914 30.1954 179.2948 88 N 4.3857 7.8120 114.8439 55.1602 37.7053 176.3975 89 L 4.4377 7.7675 117.6259 56.0457 42.2917 178.4991 90 L 4.0307 8.0684 119.4996 58.0235 41.6227 179.6217 91 T 3.9040 8.0026 109.7402 64.9408 68.4360 176.6464 92 Q 4.1231 7.8598 119.7321 57.6565 28.7671 177.4412 93 I 4.5047 7.2550 111.7186 59.0467 38.1073 171.8723 94 G 3.5914 7.5312 117.3560 45.3734 0.0000 173.5459 *96 T 4.1174 8.0468 114.6683 60.9597 69.9101 173.2554 97 L 4.6325 8.1955 121.8363 53.6175 43.1038 176.2166 98 N 5.0651 8.4736 119.2782 51.6007 42.3289 174.4648 99 F 4.4828 8.3005 116.5009 57.4661 37.4394 173.8276 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 P 0.00 4.39 0.00 2.20 2.15 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 2 Q 8.46 4.39 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 3 I 8.12 4.42 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 0.92 0.00 0.00 4 T 8.40 4.28 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 1.30 0.00 0.00 5 L 7.64 4.71 0.00 1.36 1.52 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.23 4.46 0.00 3.27 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 7 K 7.75 4.76 0.00 1.86 1.83 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.46 7.81 8 R 8.53 3.95 0.00 1.83 1.94 0.00 3.20 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 9 P 0.00 4.65 0.00 2.11 2.20 0.00 3.67 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 2.17 1.97 0.00 10 L 7.84 5.01 0.00 1.55 1.64 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.77 4.62 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 0.76 0.00 0.00 0.93 0.00 0.00 12 T 8.45 4.94 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 1.26 0.00 0.00 13 I 9.00 4.85 1.92 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 1.24 0.73 0.91 0.00 0.00 14 R 8.91 5.04 0.00 1.84 1.78 0.00 3.07 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 15 I 8.80 4.59 1.84 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 1.09 1.38 0.87 0.00 0.00 16 G 10.00 4.07 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 0.00 0.00 0.00 17 G 8.65 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 18 Q 7.98 4.65 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 19 L 8.27 4.90 0.00 1.52 1.59 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.98 4.75 0.00 1.63 1.61 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.37 7.81 21 E 8.71 5.05 0.00 1.84 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 2.26 2.25 0.00 22 A 8.94 4.84 1.20 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 0.00 0.00 23 L 8.94 4.77 0.00 1.72 1.66 0.91 0.75 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 24 L 8.69 4.41 0.00 1.56 1.61 0.91 1.03 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 25 D 9.17 4.85 0.00 2.72 2.50 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 26 T 8.69 4.00 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 27 G 8.52 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 28 A 7.81 4.66 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 29 D 8.95 4.42 0.00 2.62 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 30 D 8.02 5.11 0.00 2.56 2.55 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 31 T 7.94 4.72 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 1.29 0.00 0.00 32 V 8.85 4.80 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 0.97 0.00 0.00 0.93 0.00 0.00 33 I 8.81 4.92 1.83 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 1.10 0.73 0.93 0.00 0.00 34 E 9.73 4.46 0.00 2.16 1.82 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 2.47 2.23 0.00 35 E 8.71 3.68 0.00 1.95 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 0.00 2.27 2.38 0.00 *37 N 8.10 4.49 0.00 2.73 2.77 0.00 0.00 7.06 7.78 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 38 L 7.31 4.03 0.00 1.06 1.23 0.20 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.67 0.00 2.23 2.10 0.00 3.70 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 2.00 1.97 0.00 40 G 8.41 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 0.00 0.00 0.00 0.00 *42 W 8.46 4.75 0.00 3.00 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 0.00 0.00 0.00 43 K 8.74 4.64 0.00 1.73 1.79 0.00 1.30 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.33 1.38 7.81 44 P 0.00 5.05 0.00 2.19 2.30 0.00 3.69 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 45 K 8.70 4.32 0.00 1.90 1.66 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.44 7.81 *47 I 8.46 4.27 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.96 0.00 0.00 48 G 7.63 3.39 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 0.00 0.00 0.00 0.00 49 G 7.61 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 0.00 0.00 0.00 50 I 8.44 3.85 1.83 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 1.32 0.54 0.89 0.00 0.00 51 G 8.40 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 0.00 0.00 0.00 52 G 7.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 5.22 0.00 2.95 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 54 I 8.35 4.83 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.93 0.00 0.00 55 K 8.60 4.67 0.00 1.69 1.81 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.51 7.81 56 V 8.95 4.69 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 0.73 0.00 0.00 1.03 0.00 0.00 57 R 8.83 4.91 0.00 1.48 1.02 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 58 Q 9.50 4.89 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 59 Y 9.22 5.16 0.00 3.06 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 60 D 8.88 5.13 0.00 2.60 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 61 Q 8.44 3.46 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 62 I 7.82 4.36 1.89 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 1.31 0.91 0.87 0.00 0.00 63 P 0.00 4.82 0.00 1.93 2.00 0.00 3.62 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 2.03 2.09 0.00 64 V 8.76 4.53 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 0.94 0.00 0.00 0.98 0.00 0.00 65 E 9.07 4.94 0.00 2.09 1.79 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 2.24 2.28 0.00 66 I 8.78 4.54 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.91 0.00 0.00 *68 G 8.14 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 69 H 8.37 4.69 0.00 3.38 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.54 4.59 0.00 1.65 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 71 A 8.80 4.92 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 72 I 8.66 4.66 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.92 0.00 0.00 73 G 8.22 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 74 T 8.65 4.75 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 1.32 0.00 0.00 75 V 8.92 4.47 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 1.06 0.00 0.00 0.94 0.00 0.00 76 L 8.97 5.12 0.00 1.72 1.60 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.48 4.75 2.19 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 0.94 0.00 0.00 0.86 0.00 0.00 78 G 8.24 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 0.00 0.00 0.00 79 P 0.00 5.07 0.00 2.08 2.10 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 80 T 8.31 4.65 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 1.27 0.00 0.00 81 P 0.00 4.41 0.00 2.07 2.09 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 82 V 7.31 4.46 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 0.92 0.00 0.00 83 N 8.73 4.73 0.00 2.85 2.71 0.00 0.00 6.90 7.69 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 84 I 8.97 4.88 1.86 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 1.21 1.00 0.90 0.00 0.00 85 I 8.91 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.04 0.91 0.00 0.00 86 G 8.39 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 0.00 0.00 0.00 0.00 87 R 8.96 4.09 0.00 1.86 2.00 0.00 3.14 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 88 N 7.81 4.39 0.00 2.84 2.97 0.00 0.00 6.91 7.48 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 89 L 7.77 4.44 0.00 1.70 1.74 0.93 0.68 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 90 L 8.07 4.03 0.00 1.68 1.72 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.00 3.90 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 1.23 0.00 0.00 92 Q 7.86 4.12 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 93 I 7.26 4.50 1.82 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 1.57 0.54 0.98 0.00 0.00 94 G 7.53 3.59 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 0.00 0.00 0.00 *96 T 8.05 4.12 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 97 L 8.20 4.63 0.00 1.73 1.76 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.47 5.07 0.00 2.65 2.67 0.00 0.00 6.81 7.45 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 99 F 8.30 4.48 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.