NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6192 8.2227 120.5313 54.3638 43.4324 177.4189 5 L 3.8467 7.9008 120.4519 57.7369 42.0903 177.4862 6 G 3.5627 8.2086 105.3490 47.3979 0.0000 175.1316 7 R 3.9006 7.9160 120.5895 59.4808 30.1671 178.5167 8 L 4.0461 8.2308 119.0160 57.3593 41.6010 179.0472 9 L 3.9148 8.1790 120.7751 58.0918 41.9347 179.0870 10 K 3.9408 7.8799 119.0620 59.4129 32.0680 178.7683 11 I 3.6468 7.6855 119.7406 64.3864 36.8616 178.2748 12 A 3.9343 7.8611 119.9964 55.2353 18.3286 179.2498 13 S 4.1038 7.8750 110.3063 61.6121 62.7310 175.8278 14 N 4.5207 8.3452 119.2828 56.1996 38.3453 177.8710 15 Q 4.3568 8.1814 118.6995 56.4020 28.9404 178.4815 *17 S 4.2278 8.1186 118.3104 58.9507 65.2985 176.6332 18 T 3.9095 8.1456 117.0157 66.6602 68.1128 176.8515 19 R 4.0927 7.9980 119.8221 59.5575 30.1446 179.1843 20 F 4.5901 8.5432 117.0178 60.8267 39.0048 177.3214 21 D 4.4986 8.3528 118.7035 57.1098 40.4167 178.9592 22 I 3.7234 7.7187 119.7257 64.4542 37.5815 177.9521 23 F 4.0717 8.3353 121.3194 61.1006 39.0539 177.0254 24 A 4.0842 8.3268 120.6473 54.8530 18.1668 179.2181 25 K 3.7777 7.9524 118.0933 59.8545 31.9295 178.8239 26 K 3.6264 7.1253 116.0670 58.3832 31.8684 176.7288 27 Y 4.5485 7.3174 116.4377 57.8347 39.0640 174.7334 28 D 4.3445 8.0134 114.9721 55.2771 40.2098 172.3612 29 L 4.8763 7.4391 115.3479 53.2254 46.2291 176.5316 30 T 4.5231 8.1971 110.2471 60.0721 70.5576 175.1585 31 G 4.0123 9.0894 112.3940 49.3561 0.0000 175.5670 32 T 4.0193 8.1403 116.3670 66.8386 68.7748 177.1359 33 Q 3.8723 8.0482 120.2052 56.8867 29.4508 179.2446 *35 T 4.4342 8.0138 110.4060 61.9245 71.0323 176.1437 36 I 3.8070 7.9144 122.8796 64.2018 36.9750 178.1923 37 I 3.7072 7.8679 120.7124 64.5022 37.0668 177.7047 38 D 4.3685 8.2274 118.1403 57.7269 40.8042 177.6541 39 Y 4.2546 8.1141 118.3765 60.7965 39.1521 177.7065 40 L 3.7663 8.1673 119.9581 57.5248 41.5036 179.0735 41 S 4.0329 8.0631 112.4643 61.7857 62.3855 176.4566 42 R 4.1395 7.7649 117.9550 57.7111 29.7515 176.8916 43 N 4.9512 7.5907 116.9848 52.6679 39.2756 177.0270 44 K 3.9511 8.0849 120.2813 59.1435 32.3566 177.7210 45 N 4.7524 8.0185 114.6817 52.3774 37.2653 174.1291 46 K 4.5386 7.3483 116.5932 55.6933 35.7768 175.0341 47 E 4.1672 8.5722 119.3386 56.0956 30.1766 176.5661 48 V 4.3821 8.3031 125.1488 61.3362 33.4618 175.0594 49 L 4.6137 9.1301 128.6889 53.9376 43.0826 177.9939 50 Q 3.9981 8.8341 121.4030 59.7090 29.0729 178.7714 51 R 3.9298 8.1588 118.4365 59.5791 29.9568 178.6138 52 D 4.4059 7.9708 118.1087 57.1893 41.0135 178.2467 53 L 3.9809 7.9239 120.6066 58.2507 41.5712 178.8568 54 E 4.0102 8.5545 118.8380 59.4351 29.2438 179.4006 55 S 4.0631 7.9798 112.6992 61.2527 62.2943 175.5481 56 E 3.6816 7.9561 120.8544 58.9176 29.3463 178.0387 57 F 4.4174 7.7714 113.5713 55.9901 40.4509 175.7739 58 S 3.7650 7.3598 114.8170 59.8648 60.7778 171.9129 59 I 4.6193 7.4789 111.4220 58.2857 40.4952 176.8479 60 K 4.1526 8.3422 121.2970 56.3919 33.8455 178.3057 61 S 4.4040 8.9390 119.6077 61.2554 62.8338 177.3217 62 S 4.0687 8.0441 116.1399 61.8152 62.6982 176.5192 63 T 3.8259 7.8795 118.7147 66.1445 68.2259 176.2941 64 A 3.9421 8.2839 122.9270 55.4106 18.3692 179.5749 65 T 3.7909 8.6717 115.1045 66.9792 68.4806 176.7542 66 V 3.5629 7.7964 119.8158 66.0026 31.2629 177.8344 67 L 3.9287 7.6195 118.7939 58.1975 42.0458 178.6634 68 L 4.1383 8.1098 118.1956 57.6061 41.7753 178.8094 69 Q 4.1905 8.1968 118.3076 59.1955 28.8663 180.8428 70 R 4.0336 7.6159 118.6001 56.7982 30.9109 178.1232 *72 E 4.5663 8.0601 115.8958 56.1636 31.3673 178.2672 73 I 3.8571 7.8008 117.9156 64.2101 37.1810 177.1726 74 K 4.2513 7.8696 116.4691 55.7392 32.1992 176.6356 75 K 3.9993 8.2545 117.7251 57.6535 30.0562 176.7029 76 L 4.5781 7.9614 120.3809 56.3753 43.2232 176.4625 77 L 5.2945 7.7025 117.3139 54.7817 44.5534 174.2418 78 Y 4.8204 8.6844 116.4161 55.7378 42.0275 174.6107 79 R 4.8089 8.7143 119.7086 55.1232 30.7497 175.7462 80 K 4.5911 9.0957 126.9771 54.6725 34.0876 176.0593 81 V 4.0180 8.5274 126.7587 63.4440 31.6312 175.4713 82 S 4.1613 9.4997 123.8439 58.3892 62.7958 175.4276 83 G 3.6420 8.9760 116.1538 48.4057 0.0000 174.7828 84 K 3.9654 8.0505 120.3655 58.8379 32.4816 176.5112 85 D 4.4537 8.1729 120.4282 53.0099 42.6931 175.4830 86 S 4.6076 8.5344 121.0742 59.3678 63.4087 175.6613 87 R 4.0102 8.0935 120.3859 58.4568 30.1879 176.3465 88 Q 4.7445 8.1138 118.5779 54.2996 31.6506 174.6357 89 K 5.3157 8.5585 122.0791 54.6954 35.6664 174.9936 90 C 5.0652 9.3522 117.1938 56.4640 33.5456 172.4703 91 L 4.8945 8.6499 120.0804 53.5482 42.8149 176.6652 92 K 4.4501 8.4004 121.6078 54.4043 36.4290 175.8184 93 L 4.6805 8.4541 124.7015 54.9800 42.6600 177.0981 94 T 4.5063 8.5002 113.7123 60.6976 70.9772 175.9133 95 K 3.9475 8.7321 120.1105 59.2796 31.6876 179.0805 96 K 3.7891 8.1607 118.3712 59.8247 32.3640 178.0692 97 A 4.1272 7.6502 119.2421 55.2450 17.9300 179.1305 98 N 4.2736 8.4831 115.2372 56.5812 38.3271 177.6919 99 K 3.9196 7.6800 118.6925 59.4194 32.4017 178.9579 100 L 4.0553 8.0193 118.7247 56.8166 41.6165 179.0558 101 E 3.8555 7.5080 119.0325 59.7656 29.2807 179.0790 102 T 3.8232 7.9870 112.1638 65.5319 67.2108 175.6176 103 I 3.7479 7.6289 120.6688 64.4333 36.9590 178.3069 104 I 3.7345 7.5719 119.0895 64.5235 37.0806 178.0434 105 L 4.2936 7.7379 118.4745 57.9804 41.7865 179.5977 106 S 4.3002 7.8776 114.2665 61.3305 62.9887 176.5778 107 Y 3.6137 8.0164 120.9889 57.8099 38.3591 177.3515 *109 D 4.5098 8.1082 120.0302 53.7874 43.0408 178.0945 110 S 4.1229 7.6595 113.9450 60.8508 62.8114 176.1662 111 D 4.0335 7.4179 121.1555 57.2204 41.0868 177.5559 112 Q 4.0928 7.8529 118.0967 59.2017 29.1518 177.7969 113 S 4.3095 7.6369 114.9363 61.6592 62.9680 177.7862 114 Q 4.0673 7.7088 117.8485 56.7486 28.5107 176.3698 *116 T 4.2584 7.8149 106.8128 60.8820 70.2784 176.1378 117 S 4.1843 8.3692 119.1099 62.1334 63.4339 175.3293 118 G 3.7369 8.0340 107.3686 46.3594 0.0000 172.8951 119 L 4.7840 7.1378 119.1185 52.9527 43.6194 176.2937 120 N 4.7073 8.8017 120.3584 52.3826 39.6316 176.5934 121 K 4.0140 8.6014 120.4334 60.3781 32.5683 179.1774 122 E 4.0124 8.2006 119.1587 59.1760 29.2622 179.0597 123 E 4.0216 8.0901 118.4077 59.2783 29.5331 179.4035 124 V 3.5883 7.7642 117.8337 65.9254 31.6904 178.0322 125 V 3.5606 7.9558 117.9100 65.9439 31.4370 177.4135 126 F 3.9883 8.2434 120.3637 61.4536 39.0859 176.8198 127 L 3.9861 8.3222 119.7874 58.3528 41.9074 178.8124 128 E 3.9447 8.3476 118.4836 59.1934 29.3681 179.5742 129 K 3.8918 7.9076 118.5244 59.4093 31.8875 179.4716 130 I 3.5107 7.1688 118.7821 64.3060 37.0679 178.2033 131 L 4.1025 7.8930 118.8814 57.6606 41.7156 179.4094 132 K 4.1249 7.9910 118.4517 59.2979 31.7956 179.9526 133 R 3.8240 7.5938 115.1100 57.4050 29.5245 177.9289 *135 I 4.0944 7.7014 119.8269 60.9747 39.1304 177.7651 136 E 3.9470 8.0941 118.6964 59.5376 29.2665 178.4016 137 S 4.3404 7.5926 112.2677 59.3582 63.3957 173.7598 138 D 4.4866 7.6009 125.0625 54.5361 40.8376 175.6306 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 4 D 8.22 4.62 0.00 2.73 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 5 L 7.90 3.85 0.00 1.85 1.66 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.21 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 3.90 0.00 1.89 2.08 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 8 L 8.23 4.05 0.00 1.91 1.70 0.95 0.77 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 9 L 8.18 3.91 0.00 1.82 1.88 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.88 3.94 0.00 1.84 1.95 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 11 I 7.69 3.65 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 1.45 0.64 0.91 0.00 0.00 12 A 7.86 3.93 1.30 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 13 S 7.87 4.10 0.00 3.91 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 14 N 8.35 4.52 0.00 2.95 2.84 0.00 0.00 7.07 7.96 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 15 Q 8.18 4.36 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.38 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 *17 S 8.12 4.23 0.00 3.85 3.92 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 18 T 8.15 3.91 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 1.25 0.00 0.00 19 R 8.00 4.09 0.00 2.09 2.26 0.00 3.18 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.96 0.00 20 F 8.54 4.59 0.00 3.23 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 21 D 8.35 4.50 0.00 3.00 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 22 I 7.72 3.72 2.11 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 1.45 0.66 0.97 0.00 0.00 23 F 8.34 4.07 0.00 3.01 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.08 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 25 K 7.95 3.78 0.00 2.08 1.90 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.48 7.81 26 K 7.13 3.63 0.00 1.08 0.83 0.00 1.37 0.00 0.00 1.30 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.19 7.81 27 Y 7.32 4.55 0.00 2.78 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 28 D 8.01 4.34 0.00 2.75 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 29 L 7.44 4.88 0.00 1.83 1.51 0.92 0.95 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 30 T 8.20 4.52 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 1.22 0.00 0.00 31 G 9.09 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 0.00 0.00 0.00 32 T 8.14 4.02 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 1.09 0.00 0.00 33 Q 8.05 3.87 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.38 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 *35 T 8.01 4.43 4.54 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 1.56 0.00 0.00 36 I 7.91 3.81 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.20 0.95 0.00 0.00 37 I 7.87 3.71 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 1.41 0.84 0.91 0.00 0.00 38 D 8.23 4.37 0.00 2.85 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 39 Y 8.11 4.25 0.00 3.25 3.51 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 40 L 8.17 3.77 0.00 1.71 1.61 0.93 0.67 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 41 S 8.06 4.03 0.00 3.93 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 0.00 42 R 7.76 4.14 0.00 1.83 1.95 0.00 3.18 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 43 N 7.59 4.95 0.00 2.37 2.53 0.00 0.00 6.84 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 44 K 8.08 3.95 0.00 1.84 1.83 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.37 7.81 45 N 8.02 4.75 0.00 2.81 2.88 0.00 0.00 5.81 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 46 K 7.35 4.54 0.00 1.81 1.75 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.37 7.81 47 E 8.57 4.17 0.00 1.87 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 2.29 2.29 0.00 48 V 8.30 4.38 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 1.18 0.00 0.00 0.77 0.00 0.00 49 L 9.13 4.61 0.00 1.74 1.58 0.93 0.81 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 50 Q 8.83 4.00 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 51 R 8.16 3.93 0.00 1.91 2.01 0.00 3.19 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 52 D 7.97 4.41 0.00 3.00 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 53 L 7.92 3.98 0.00 1.95 1.94 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.55 4.01 0.00 2.26 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 2.50 2.43 0.00 55 S 7.98 4.06 0.00 3.93 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 56 E 7.96 3.68 0.00 1.59 1.57 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 1.47 1.47 0.00 57 F 7.77 4.42 0.00 3.13 3.03 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 58 S 7.36 3.77 0.00 3.92 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 59 I 7.48 4.62 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 0.70 1.03 0.00 0.00 60 K 8.34 4.15 0.00 1.82 1.78 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.54 7.81 61 S 8.94 4.40 0.00 3.86 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 62 S 8.04 4.07 0.00 4.04 4.13 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 63 T 7.88 3.83 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 1.20 0.00 0.00 64 A 8.28 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 65 T 8.67 3.79 4.43 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 1.22 0.00 0.00 66 V 7.80 3.56 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 0.99 0.00 0.00 0.99 0.00 0.00 67 L 7.62 3.93 0.00 1.74 1.90 0.87 0.94 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 68 L 8.11 4.14 0.00 1.64 1.72 0.97 0.82 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 69 Q 8.20 4.19 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.03 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 70 R 7.62 4.03 0.00 1.88 1.91 0.00 3.17 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 *72 E 8.06 4.57 0.00 2.35 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 2.51 2.48 0.00 73 I 7.80 3.86 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.47 0.92 0.00 0.00 74 K 7.87 4.25 0.00 1.88 1.85 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.41 7.81 75 K 8.25 4.00 0.00 1.87 1.93 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.54 7.81 76 L 7.96 4.58 0.00 1.62 1.71 0.93 0.47 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 77 L 7.70 5.29 0.00 1.85 1.70 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.68 4.82 0.00 3.07 3.03 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 79 R 8.71 4.81 0.00 1.77 1.97 0.00 3.22 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 80 K 9.10 4.59 0.00 1.74 1.62 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.58 7.81 81 V 8.53 4.02 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 0.85 0.00 0.00 0.96 0.00 0.00 82 S 9.50 4.16 0.00 3.91 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 83 G 8.98 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 84 K 8.05 3.97 0.00 1.87 1.85 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.38 7.81 85 D 8.17 4.45 0.00 2.72 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 86 S 8.53 4.61 0.00 4.03 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 87 R 8.09 4.01 0.00 1.93 2.04 0.00 3.30 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.71 0.00 88 Q 8.11 4.74 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 89 K 8.56 5.32 0.00 1.64 1.67 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.35 7.81 90 C 9.35 5.07 0.00 3.02 2.97 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 91 L 8.65 4.89 0.00 1.57 1.59 0.98 0.66 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 92 K 8.40 4.45 0.00 0.94 0.74 0.00 1.39 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.14 1.27 7.81 93 L 8.45 4.68 0.00 1.51 1.59 0.96 0.93 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 94 T 8.50 4.51 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 1.47 0.00 0.00 95 K 8.73 3.95 0.00 1.84 1.91 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.52 7.81 96 K 8.16 3.79 0.00 1.76 1.98 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.55 7.81 97 A 7.65 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.27 0.00 2.93 2.90 0.00 0.00 7.04 8.54 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 99 K 7.68 3.92 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.74 7.81 100 L 8.02 4.06 0.00 1.75 1.51 0.91 0.78 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 0.00 101 E 7.51 3.86 0.00 1.92 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 2.33 2.53 0.00 102 T 7.99 3.82 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 1.24 0.00 0.00 103 I 7.63 3.75 1.68 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.43 0.87 0.00 0.00 104 I 7.57 3.73 1.98 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 1.51 0.47 0.92 0.00 0.00 105 L 7.74 4.29 0.00 1.62 1.74 0.92 0.82 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 0.00 106 S 7.88 4.30 0.00 4.00 4.12 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 0.00 0.00 0.00 107 Y 8.02 3.61 0.00 2.46 2.78 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 *109 D 8.11 4.51 0.00 2.92 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 0.00 110 S 7.66 4.12 0.00 3.96 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 0.00 111 D 7.42 4.03 0.00 1.86 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 0.00 112 Q 7.85 4.09 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 113 S 7.64 4.31 0.00 4.06 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 0.00 114 Q 7.71 4.07 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.22 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 *116 T 7.81 4.26 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 1.25 0.00 0.00 117 S 8.37 4.18 0.00 3.99 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 0.00 118 G 8.03 3.74 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 0.00 0.00 0.00 119 L 7.14 4.78 0.00 1.85 1.59 0.93 1.06 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 0.00 120 N 8.80 4.71 0.00 2.76 2.90 0.00 0.00 6.60 6.50 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 0.00 121 K 8.60 4.01 0.00 1.98 2.08 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.54 7.81 122 E 8.20 4.01 0.00 2.08 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 0.00 2.41 2.48 0.00 123 E 8.09 4.02 0.00 2.20 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 2.29 2.30 0.00 124 V 7.76 3.59 2.25 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 1.06 0.00 0.00 0.94 0.00 0.00 125 V 7.96 3.56 2.27 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 0.97 0.00 0.00 1.02 0.00 0.00 126 F 8.24 3.99 0.00 3.28 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 0.00 127 L 8.32 3.99 0.00 1.88 1.84 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.35 3.94 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 129 K 7.91 3.89 0.00 1.73 1.68 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 130 I 7.17 3.51 1.66 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 0.81 0.10 0.85 0.00 0.00 131 L 7.89 4.10 0.00 1.70 1.70 0.91 0.94 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 0.00 132 K 7.99 4.12 0.00 1.94 1.81 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.64 7.81 133 R 7.59 3.82 0.00 1.84 1.96 0.00 3.09 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 *135 I 7.70 4.09 1.93 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 1.40 0.60 0.88 0.00 0.00 136 E 8.09 3.95 0.00 2.14 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 2.32 2.39 0.00 137 S 7.59 4.34 0.00 3.81 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 0.00 138 D 7.60 4.49 0.00 2.59 2.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.