NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 L 4.7867 8.1693 122.7589 55.2386 43.1706 175.6174 21 S 4.5845 8.7545 120.6897 56.4466 66.6137 171.6927 22 I 4.9434 9.1211 124.0119 60.4351 39.3451 176.4331 23 T 4.0926 8.6495 122.8063 64.1991 68.9985 174.7902 24 T 3.3637 8.7433 122.7106 63.7430 65.3021 170.5187 25 P 4.2883 0.0000 0.0000 64.0757 32.5404 175.2584 26 E 5.6925 7.6445 119.1094 55.2231 33.2166 173.5338 27 E 4.8158 8.3891 122.4668 55.9863 34.5429 173.4987 28 M 5.4475 8.4814 119.2819 54.0067 36.1124 175.6180 29 I 4.6625 8.6363 121.6306 59.9947 42.1263 173.6621 30 E 5.0068 8.8981 125.9741 54.6281 31.6217 175.4261 31 K 4.5774 8.5852 122.1299 54.8169 36.4210 174.7524 32 A 4.7134 8.0822 122.0536 49.9920 21.2595 176.3781 33 K 4.0091 8.2482 120.8680 57.4569 32.8653 176.2322 34 G 3.7996 7.8539 114.6823 47.4196 0.0000 173.0621 35 E 4.0829 8.9276 119.1280 55.9001 28.2374 173.8308 36 T 5.6493 8.3374 115.0266 62.0241 71.6385 173.3455 37 A 4.9389 8.1552 122.6688 50.9022 23.4731 174.3638 38 Y 4.7303 8.4840 119.6549 56.0786 40.8880 175.1985 39 L 4.2972 7.7643 128.6953 52.5673 42.7155 174.8006 40 P 4.4853 0.0000 0.0000 62.3357 32.5432 177.9110 41 C 5.0893 9.1012 119.8587 56.2227 45.8487 172.6863 42 K 4.9252 8.0388 121.8050 55.9317 33.7319 177.1004 43 F 5.4111 8.5894 119.3252 55.3626 41.7545 173.8228 44 T 4.6707 8.7329 117.0737 62.1167 71.1292 174.3804 45 L 5.2193 8.4199 125.5176 53.5043 44.3284 175.5291 46 S 4.7532 8.6275 112.9493 55.8036 65.9665 173.2454 47 P 4.2594 0.0000 0.0000 65.8970 30.7602 177.0699 48 E 4.1617 8.0439 114.2397 57.3594 30.0009 177.0531 49 D 4.7279 8.0597 121.0742 53.9840 39.1524 175.8757 50 Q 4.3385 8.2218 120.0775 55.5291 29.6416 176.3098 51 G 3.9112 8.0732 108.4906 43.9527 0.0000 171.3768 52 P 4.4889 0.0000 0.0000 61.7751 32.1488 175.8265 53 L 4.2099 8.4218 123.6957 55.5744 42.9812 176.1411 54 D 4.8520 9.3504 125.7252 52.7471 43.3323 172.9890 55 I 5.1665 8.6980 125.5295 59.1338 40.2649 174.4924 56 E 5.2633 8.8473 123.0807 54.7413 33.3539 173.9380 57 W 5.0444 9.6732 122.5300 55.1829 31.8733 175.0925 58 L 5.1655 8.7623 122.8113 52.9229 45.5567 175.1110 59 I 4.3207 8.3727 122.2986 59.3519 40.7730 174.6830 60 S 4.7862 8.7284 126.3608 55.7576 63.3918 171.4622 61 P 4.8186 0.0000 0.0000 62.6721 31.7465 176.4609 62 A 4.3740 8.2842 123.8714 52.6389 19.0602 178.0083 63 D 4.4976 7.9586 116.1570 56.4277 41.6713 174.9013 64 N 4.9197 7.5415 113.5942 51.8315 39.9264 173.7722 65 Q 4.0774 8.7537 116.3995 59.0248 28.8153 177.8663 66 K 3.9188 8.4517 117.7116 56.7973 32.3366 176.4515 67 V 4.2277 8.1851 123.1885 62.0277 34.1086 174.6178 68 D 4.2254 7.9251 122.7954 55.4526 38.3278 173.4140 69 Q 4.6877 8.3735 118.6978 53.6337 31.0933 177.3658 70 V 4.1022 8.5504 124.5735 62.4261 31.5378 175.5138 71 I 4.6286 8.7452 114.9954 62.2904 39.7415 175.4130 72 I 5.2454 7.7031 121.0798 59.2953 41.9797 173.2508 73 L 5.4582 9.3176 126.1151 54.8366 45.0545 174.0440 74 Y 5.0418 9.6105 120.2909 56.0642 41.6419 174.2530 75 S 4.4326 8.5491 122.1740 57.0969 65.9321 174.0777 76 G 3.4941 8.9961 116.8898 47.0626 0.0000 172.6530 77 D 4.5846 7.5987 113.9736 53.8639 38.7658 173.9751 78 K 4.4994 7.0115 115.5188 54.4822 35.6207 175.3301 79 I 4.9203 7.9059 122.1879 59.7664 39.2194 174.8102 80 Y 4.8716 8.8431 122.3035 56.5017 40.2107 175.9396 81 D 5.2827 8.8237 123.7759 53.4205 40.2946 175.3631 82 D 4.7481 8.0440 116.7570 54.2086 39.9095 176.9543 83 Y 4.0101 7.8877 117.9461 61.4060 38.4186 175.6275 84 Y 4.3555 8.0998 125.7355 56.3317 38.9454 173.8887 85 P 4.1682 0.0000 0.0000 65.8974 31.6489 178.3830 86 D 4.3082 7.6468 115.6884 57.4674 40.9153 177.7097 87 L 4.3887 8.1731 116.4963 54.2923 41.8551 175.8382 88 K 4.1290 7.9546 121.3603 59.9224 31.7922 176.3000 89 G 4.1023 9.0885 115.5848 45.4842 0.0000 173.6020 90 R 4.2900 8.6167 117.9124 56.5107 30.9783 175.7088 91 V 4.8554 7.5837 118.0795 61.2677 33.2468 174.5213 92 H 4.9390 8.3687 121.4935 54.1557 32.1457 172.8936 93 F 4.7472 8.8058 119.7637 57.9763 39.0022 175.8018 94 T 4.1165 8.9835 114.1212 64.2668 69.2327 175.4675 95 S 4.3950 8.0240 116.8012 57.3043 62.8983 173.2296 96 N 4.6615 8.7753 123.3388 53.8564 37.8847 175.0037 97 D 4.7179 7.8674 118.0334 52.9648 41.5656 175.4698 98 L 4.1546 7.9938 124.5343 57.3376 42.7088 178.3557 99 K 4.1706 7.7961 115.2344 58.4020 32.7441 176.8098 100 S 4.4796 7.6838 113.9707 58.4585 62.3355 173.9789 101 G 2.2596 8.8138 105.2161 45.3873 0.0000 173.5206 102 D 4.8684 7.7820 120.0741 52.5441 42.2277 175.1259 103 A 4.9539 8.8245 134.0837 51.3068 18.1189 176.6099 104 S 5.1035 8.2488 116.5711 58.1237 65.8516 174.8279 105 I 4.9140 7.8437 114.5121 59.2357 41.6852 173.4741 106 N 5.4671 8.3589 118.5761 50.3474 41.6334 173.8725 107 V 4.4380 8.1631 123.3754 61.7199 33.3535 174.7645 108 T 4.7469 9.8504 124.4138 61.1211 70.7748 173.9547 109 N 4.0298 8.5841 119.6028 53.9092 37.2194 173.6333 110 L 4.4327 8.8472 121.8704 54.9240 43.3243 175.8965 111 Q 4.9839 8.5022 122.8262 53.6236 32.4467 176.2790 112 L 3.5688 8.6713 120.1421 58.0600 41.7016 178.9473 113 S 4.5573 8.0230 110.7466 59.9333 63.2298 174.7956 114 D 4.6144 9.2436 123.5965 56.9697 41.1152 176.9571 115 I 3.9675 7.8229 119.2678 60.7704 37.7843 176.0441 116 G 4.0773 7.6225 110.9164 46.1521 0.0000 170.1644 117 T 5.1150 7.6048 115.9936 62.4017 70.4633 173.9192 118 Y 5.1471 9.6895 124.0991 56.4114 41.2061 174.6087 119 Q 4.7746 9.1843 123.1486 54.7298 33.2060 172.9532 120 C 3.9726 8.6507 126.4480 53.9073 41.1765 171.2045 121 K 4.5546 8.1774 123.8943 55.5769 33.3187 175.7525 122 V 4.3945 8.5594 125.3303 60.7886 34.2070 174.2241 123 K 4.8590 8.6163 126.8960 54.6158 35.3820 175.6728 124 K 4.8535 8.7949 126.1445 54.6382 33.6667 174.6821 125 A 4.2703 8.5798 128.1449 51.4419 19.1847 176.2634 126 P 4.3354 0.0000 0.0000 63.7609 32.2020 177.2154 127 G 3.7453 7.6863 109.9070 46.1651 0.0000 172.6249 128 V 4.8827 7.6164 120.6682 61.6398 34.6507 172.8446 129 A 4.5726 8.5003 125.6716 51.7436 23.0231 174.7478 130 N 5.7969 8.4678 115.4148 52.0695 40.4672 173.5100 131 K 4.7831 8.3480 120.1754 54.5685 36.0460 174.5160 132 K 5.0509 8.7247 125.3340 54.6660 35.0514 175.1092 133 I 4.9279 9.2971 125.5744 59.8222 40.8740 174.0892 134 H 5.1671 8.8830 123.9479 54.3035 30.8151 173.5621 135 L 4.9955 8.9097 128.7482 53.7666 44.3232 177.5180 *136 V 3.9808 8.2025 122.5853 61.1120 32.3244 171.6297 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 20 L 8.17 4.79 0.00 1.90 1.68 0.88 0.49 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 21 S 8.75 4.58 0.00 3.89 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 22 I 9.12 4.94 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 0.97 0.00 0.00 23 T 8.65 4.09 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 24 T 8.74 3.36 4.37 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 1.32 0.00 0.00 25 P 0.00 4.29 0.00 2.06 2.07 0.00 3.59 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 2.11 2.08 0.00 26 E 7.64 5.69 0.00 1.86 1.76 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 2.19 2.23 0.00 27 E 8.39 4.82 0.00 1.93 1.80 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 2.32 2.35 0.00 28 M 8.48 5.45 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 29 I 8.64 4.66 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.15 0.89 0.00 0.00 30 E 8.90 5.01 0.00 1.82 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 2.22 2.31 0.00 31 K 8.59 4.58 0.00 1.67 1.68 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.31 7.81 32 A 8.08 4.71 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 33 K 8.25 4.01 0.00 1.74 1.73 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.45 7.81 34 G 7.85 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 35 E 8.93 4.08 0.00 2.09 2.34 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 2.23 2.24 0.00 36 T 8.34 5.65 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 1.28 0.00 0.00 37 A 8.16 4.94 1.09 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 0.00 0.00 0.00 0.00 0.00 38 Y 8.48 4.73 0.00 2.85 2.83 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 39 L 7.76 4.30 0.00 1.01 1.42 0.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.49 0.00 1.98 2.06 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 41 C 9.10 5.09 0.00 3.23 3.28 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 42 K 8.04 4.93 0.00 1.75 1.69 0.00 1.67 0.00 0.00 2.09 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.42 7.81 43 F 8.59 5.41 0.00 3.11 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 44 T 8.73 4.67 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 45 L 8.42 5.22 0.00 1.57 1.69 1.04 1.06 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 46 S 8.63 4.75 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.26 0.00 2.20 2.26 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 48 E 8.04 4.16 0.00 2.10 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 2.28 2.27 0.00 49 D 8.06 4.73 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 50 Q 8.22 4.34 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 51 G 8.07 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.49 0.00 2.21 2.07 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 53 L 8.42 4.21 0.00 1.76 1.80 0.79 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.35 4.85 0.00 2.84 2.54 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 55 I 8.70 5.17 2.04 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.46 1.01 0.00 0.00 56 E 8.85 5.26 0.00 2.02 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 2.11 2.25 0.00 57 W 9.67 5.04 0.00 3.20 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 58 L 8.76 5.17 0.00 1.56 1.43 0.85 0.54 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 59 I 8.37 4.32 1.38 0.00 0.00 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 -0.30 1.00 0.27 0.00 0.00 60 S 8.73 4.79 0.00 3.66 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 61 P 0.00 4.82 0.00 2.08 2.02 0.00 3.80 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 62 A 8.28 4.37 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 63 D 7.96 4.50 0.00 2.66 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 64 N 7.54 4.92 0.00 2.82 2.79 0.00 0.00 6.05 7.39 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 65 Q 8.75 4.08 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 66 K 8.45 3.92 0.00 1.85 1.81 0.00 1.78 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 1.51 1.51 7.81 67 V 8.19 4.23 2.06 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 0.80 0.00 0.00 0.96 0.00 0.00 68 D 7.93 4.23 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.37 4.69 0.00 1.74 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 70 V 8.55 4.10 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 0.54 0.00 0.00 0.72 0.00 0.00 71 I 8.75 4.63 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.80 0.00 0.00 72 I 7.70 5.25 1.84 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.11 0.78 0.00 0.00 73 L 9.32 5.46 0.00 2.17 1.82 1.11 0.40 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 74 Y 9.61 5.04 0.00 2.86 2.81 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 0.00 0.00 0.00 0.00 75 S 8.55 4.43 0.00 3.97 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 9.00 3.49 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 0.00 77 D 7.60 4.58 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.01 4.50 0.00 1.65 1.18 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.26 7.81 79 I 7.91 4.92 1.94 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 1.66 0.69 1.28 0.00 0.00 80 Y 8.84 4.87 0.00 3.34 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 81 D 8.82 5.28 0.00 2.79 2.80 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 82 D 8.04 4.75 0.00 2.66 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 83 Y 7.89 4.01 0.00 3.14 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 84 Y 8.10 4.36 0.00 3.29 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 85 P 0.00 4.17 0.00 1.98 1.99 0.00 3.03 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 86 D 7.65 4.31 0.00 2.64 2.87 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 87 L 8.17 4.39 0.00 2.06 1.79 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.95 4.13 0.00 1.84 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.40 7.81 89 G 9.09 4.10 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 0.00 0.00 0.00 90 R 8.62 4.29 0.00 1.85 2.29 0.00 3.55 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 91 V 7.58 4.86 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 0.63 0.00 0.00 0.93 0.00 0.00 92 H 8.37 4.94 0.00 3.21 3.30 0.00 5.32 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.81 4.75 0.00 3.03 3.02 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 0.00 0.00 0.00 94 T 8.98 4.12 4.42 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 1.36 0.00 0.00 95 S 8.02 4.40 0.00 4.10 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 96 N 8.78 4.66 0.00 2.87 2.93 0.00 0.00 5.91 8.06 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 97 D 7.87 4.72 0.00 2.58 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 98 L 7.99 4.15 0.00 1.45 1.29 -0.36 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.80 4.17 0.00 1.97 1.96 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.45 7.81 100 S 7.68 4.48 0.00 3.94 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 0.00 101 G 8.81 2.26 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 0.00 0.00 0.00 0.00 102 D 7.78 4.87 0.00 2.61 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 0.00 103 A 8.82 4.95 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 0.00 0.00 104 S 8.25 5.10 0.00 3.94 3.57 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 0.00 0.00 0.00 0.00 105 I 7.84 4.91 1.19 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.16 -0.11 0.00 0.00 106 N 8.36 5.47 0.00 2.41 2.54 0.00 0.00 6.47 7.01 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 0.00 107 V 8.16 4.44 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 0.97 0.00 0.00 0.66 0.00 0.00 108 T 9.85 4.75 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 1.22 0.00 0.00 109 N 8.58 4.03 0.00 2.80 2.80 0.00 0.00 6.94 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 0.00 110 L 8.85 4.43 0.00 1.91 1.65 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.50 4.98 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.63 0.00 0.00 0.00 0.00 0.00 2.62 2.31 0.00 112 L 8.67 3.57 0.00 1.65 1.77 0.93 0.90 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 0.00 113 S 8.02 4.56 0.00 4.24 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 0.00 114 D 9.24 4.61 0.00 2.83 2.89 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 0.00 115 I 7.82 3.97 1.91 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 1.40 1.46 0.95 0.00 0.00 116 G 7.62 4.08 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 0.00 0.00 0.00 117 T 7.60 5.12 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 1.32 0.00 0.00 118 Y 9.69 5.15 0.00 2.95 3.18 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 0.00 119 Q 9.18 4.77 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 120 C 8.65 3.97 0.00 1.23 2.28 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 0.00 121 K 8.18 4.55 0.00 1.57 1.60 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.27 7.81 122 V 8.56 4.39 1.72 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 0.15 0.00 0.00 0.49 0.00 0.00 123 K 8.62 4.86 0.00 1.84 1.60 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.26 7.81 124 K 8.79 4.85 0.00 1.69 1.67 0.00 1.90 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 125 A 8.58 4.27 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 0.00 126 P 0.00 4.34 0.00 2.18 2.18 0.00 3.91 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 127 G 7.69 3.75 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 0.00 128 V 7.62 4.88 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 0.68 0.00 0.00 0.89 0.00 0.00 129 A 8.50 4.57 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 0.00 130 N 8.47 5.80 0.00 2.53 2.65 0.00 0.00 6.10 7.13 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 0.00 131 K 8.35 4.78 0.00 1.73 1.48 0.00 1.70 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.54 7.81 132 K 8.72 5.05 0.00 1.70 1.63 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.34 7.81 133 I 9.30 4.93 2.05 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 1.28 1.18 0.92 0.00 0.00 134 H 8.88 5.17 0.00 3.14 3.25 0.00 5.57 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.91 5.00 0.00 1.69 1.70 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *136 V 8.20 3.98 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 0.71 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.