NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9993 8.0549 120.3764 62.2883 33.0191 176.2479 8 I 3.0391 7.9088 121.5990 61.0776 36.9869 174.4065 9 N 4.7966 7.6461 117.7871 51.4117 39.3851 173.0728 10 H 4.5293 8.4293 119.8006 54.3279 32.8559 172.3724 11 P 4.0121 0.0000 0.0000 65.8801 31.3821 176.7227 12 Y 4.3631 8.2037 112.9278 58.1530 38.3240 173.8403 13 Y 4.9008 8.0199 122.9959 56.2468 39.4113 174.5939 14 F 3.8084 7.8099 125.4585 54.5204 42.3380 174.0265 15 P 4.1974 0.0000 0.0000 62.5211 30.7078 175.9257 16 F 5.0920 7.2771 117.2783 57.7783 41.0709 175.3286 17 N 5.1501 8.5354 120.2339 51.4077 40.7932 175.4819 18 G 3.6730 8.5256 105.6745 48.3421 0.0000 175.8175 19 K 3.8597 7.9568 120.7023 59.0966 32.1392 179.3584 20 Q 3.6631 8.6304 118.3981 58.7328 28.3583 178.4403 21 A 4.0614 7.5819 120.4990 55.5696 18.7433 179.2457 22 E 3.1909 7.8214 116.4804 59.2401 29.5161 179.3608 23 D 4.1629 7.8594 118.9556 57.5774 40.6921 178.0698 24 Y 3.9276 8.1120 119.4350 60.6090 38.9680 177.6958 25 L 4.1713 7.6929 117.9468 56.0260 41.7890 179.0676 26 R 4.1249 7.5483 118.1492 58.7115 30.0907 177.4222 27 S 4.4003 7.6811 110.0517 58.2804 63.7013 173.9432 28 K 4.2941 7.4287 121.2179 55.3562 33.5740 175.7054 29 E 4.4683 8.2050 119.4047 54.8666 30.7873 176.3222 30 R 4.0804 8.3648 118.9412 58.5586 30.3694 177.3481 31 G 4.2840 9.5798 111.3635 45.3756 0.0000 173.6940 32 D 5.0561 7.9144 119.2702 55.0307 42.0454 175.3489 33 F 5.6938 8.3457 114.1315 56.5512 40.8348 173.4480 34 V 4.9099 9.2485 112.2116 59.8678 36.3931 174.7624 35 I 4.8223 8.8247 124.6005 60.9740 38.7009 175.3215 36 R 5.1831 9.0072 121.9454 54.6370 33.4866 174.0464 37 Q 4.6511 8.1595 118.0000 56.1986 29.7718 175.5774 38 S 4.6705 8.9809 115.7415 57.6013 66.3232 173.7994 39 S 5.5769 8.5481 123.3117 58.8361 62.9457 175.8788 *44 H 4.5238 7.5705 124.2654 55.9787 30.1402 172.4254 45 L 5.4868 8.1579 119.9909 53.2281 45.8546 174.9183 46 A 5.2122 9.7662 122.1226 50.8403 23.5667 174.8578 47 I 5.0043 9.0693 119.7192 59.8975 40.2138 175.2444 48 T 5.3614 9.1365 123.2546 61.5396 71.5882 173.1601 49 W 5.9141 8.9974 122.4036 54.7165 32.5134 173.9280 50 K 4.5905 9.4326 123.8905 56.0002 32.1984 177.4919 51 L 3.9614 8.7455 128.8907 57.1758 42.1444 176.0711 52 D 4.1886 7.1163 114.7584 53.3231 44.0124 173.2645 53 K 3.7653 8.7844 121.0178 57.7573 32.0051 176.0629 54 D 4.1695 8.5262 127.6260 54.9151 39.7676 173.7046 55 L 4.2845 7.0292 119.5479 53.4069 45.1003 175.0935 56 F 5.2394 8.5144 124.1762 55.6522 42.5746 174.8226 57 Q 4.5162 8.5189 119.4691 54.3042 32.3637 174.2178 58 H 5.3920 8.8217 119.1765 54.0629 31.7165 173.2363 59 V 4.7111 9.0773 123.5995 60.8093 34.7274 174.3957 60 D 4.8975 8.8888 126.7605 53.3782 40.5887 175.3790 61 I 4.6691 8.2097 121.6371 59.7953 39.5186 174.8935 62 Q 4.6522 9.2167 127.0239 53.9951 30.7150 174.7820 63 E 4.6878 8.6437 125.6088 55.4852 30.7040 175.9324 *65 E 4.0479 8.4642 124.4871 56.0951 30.8578 174.9288 *73 G 3.7683 8.2887 106.6983 45.8738 0.0000 172.3461 74 K 4.6352 8.5954 121.8169 54.1096 35.0336 175.9126 75 V 4.7592 8.1412 122.3987 59.8355 34.3671 174.4316 76 L 5.1713 8.5435 122.2628 53.0052 45.0742 175.4428 77 V 4.8638 9.1884 122.8137 61.2808 34.5370 174.6249 78 V 4.5214 8.5420 127.0972 61.0068 33.3372 174.6253 79 E 3.6458 9.1215 130.4742 57.1653 26.0890 176.9274 80 G 4.1458 8.2150 107.5662 46.3017 0.0000 173.8242 81 Q 4.0516 7.7958 119.1858 55.6164 29.2932 175.2825 82 R 4.8398 8.0036 121.4874 54.9802 32.0390 175.6402 83 Y 4.7385 8.1285 118.0062 56.9321 42.0339 176.0822 84 H 4.2662 9.1378 122.5608 58.2572 29.5285 175.1070 85 D 4.9098 7.7627 116.3981 51.7994 44.7207 175.5018 86 L 3.9580 8.5272 124.8605 58.2021 42.5615 178.9562 87 D 4.4709 8.2113 118.2018 57.4820 40.7469 178.6214 88 Q 4.1138 8.1277 118.3820 58.8945 28.5977 178.8569 89 I 3.4318 7.5019 120.4786 64.0993 37.0716 178.3352 90 I 3.5927 7.6526 120.1523 64.4274 36.9811 178.0289 91 V 3.5675 7.7270 118.8843 66.3959 31.2570 177.9111 92 E 3.7868 7.9253 117.2877 59.7235 29.3443 179.0529 93 Y 3.3729 7.8961 116.2946 60.0595 37.6813 178.3045 94 L 4.1511 8.2933 120.9186 57.9310 41.7889 179.3965 95 Q 4.0344 8.2110 118.0656 58.6468 28.4818 178.2197 96 N 4.1538 7.9533 118.4770 56.1046 38.8028 176.8092 97 K 3.9642 7.9550 121.0919 59.7147 32.2662 178.4552 98 I 3.6901 7.7282 120.0699 64.7081 37.1922 178.2108 99 R 3.8970 7.9120 118.9178 59.4885 29.7304 178.6250 100 L 4.0590 7.9182 117.7845 57.7548 41.7354 178.9673 101 L 4.1274 8.0635 119.4305 58.0423 42.0481 178.2945 102 N 4.5673 7.6816 115.8086 55.3972 38.7789 175.2723 103 E 4.2340 7.9577 124.2490 56.5829 29.8786 176.1944 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 7 V 8.05 4.00 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 0.96 0.00 0.00 0.90 0.00 0.00 8 I 7.91 3.04 1.72 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 1.33 0.17 0.74 0.00 0.00 9 N 7.65 4.80 0.00 2.72 2.75 0.00 0.00 5.77 7.90 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 10 H 8.43 4.53 0.00 3.12 3.18 0.00 5.70 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 11 P 0.00 4.01 0.00 1.97 1.96 0.00 3.27 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 12 Y 8.20 4.36 0.00 3.24 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 13 Y 8.02 4.90 0.00 2.89 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 14 F 7.81 3.81 0.00 1.91 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 15 P 0.00 4.20 0.00 2.14 2.12 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 16 F 7.28 5.09 0.00 3.00 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 17 N 8.54 5.15 0.00 3.04 3.01 0.00 0.00 7.26 6.25 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 18 G 8.53 3.67 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 0.00 0.00 0.00 19 K 7.96 3.86 0.00 1.88 1.78 0.00 1.51 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.51 7.81 20 Q 8.63 3.66 0.00 1.85 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 21 A 7.58 4.06 1.51 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 0.00 0.00 22 E 7.82 3.19 0.00 1.83 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 1.47 2.30 0.00 23 D 7.86 4.16 0.00 2.62 2.56 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 24 Y 8.11 3.93 0.00 2.31 2.95 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 0.00 0.00 0.00 25 L 7.69 4.17 0.00 1.99 1.92 1.22 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.55 4.12 0.00 1.98 2.01 0.00 3.11 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 27 S 7.68 4.40 0.00 3.89 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 28 K 7.43 4.29 0.00 1.89 1.94 0.00 1.77 0.00 0.00 1.53 0.00 0.00 2.45 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.11 1.10 7.81 29 E 8.20 4.47 0.00 2.07 1.91 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 2.38 2.33 0.00 30 R 8.36 4.08 0.00 1.85 1.98 0.00 3.36 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 31 G 9.58 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 0.00 0.00 0.00 32 D 7.91 5.06 0.00 3.02 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 33 F 8.35 5.69 0.00 3.22 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 34 V 9.25 4.91 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 0.57 0.00 0.00 1.06 0.00 0.00 35 I 8.82 4.82 2.11 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 1.50 1.02 1.11 0.00 0.00 36 R 9.01 5.18 0.00 2.05 2.07 0.00 3.12 0.00 0.00 3.52 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 37 Q 8.16 4.65 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.67 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 38 S 8.98 4.67 0.00 3.83 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 39 S 8.55 5.58 0.00 4.11 3.96 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 0.00 0.00 0.00 0.00 *44 H 7.57 4.52 0.00 3.48 3.34 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.16 5.49 0.00 1.59 1.70 0.88 1.02 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 46 A 9.77 5.21 1.24 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 0.00 0.00 0.00 47 I 9.07 5.00 1.79 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.66 0.53 0.00 0.00 48 T 9.14 5.36 4.36 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 1.21 0.00 0.00 49 W 9.00 5.91 0.00 3.76 3.30 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 50 K 9.43 4.59 0.00 2.11 1.91 0.00 1.94 0.00 0.00 1.91 0.00 0.00 2.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.28 7.81 51 L 8.75 3.96 0.00 1.50 1.56 0.63 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.12 4.19 0.00 2.53 2.37 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 0.00 53 K 8.78 3.77 0.00 1.70 1.69 0.00 1.95 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.42 7.81 54 D 8.53 4.17 0.00 2.78 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 55 L 7.03 4.28 0.00 1.49 1.34 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.51 5.24 0.00 3.02 2.76 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 0.00 0.00 0.00 57 Q 8.52 4.52 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 58 H 8.82 5.39 0.00 3.03 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.08 4.71 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 1.00 0.00 0.00 1.29 0.00 0.00 60 D 8.89 4.90 0.00 2.76 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 61 I 8.21 4.67 1.89 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 1.20 0.67 0.91 0.00 0.00 62 Q 9.22 4.65 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 63 E 8.64 4.69 0.00 1.98 1.83 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 2.28 2.26 0.00 *65 E 8.46 4.05 0.00 2.03 1.97 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 2.30 2.33 0.00 *73 G 8.29 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 0.00 0.00 0.00 74 K 8.60 4.64 0.00 1.72 1.71 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.38 7.81 75 V 8.14 4.76 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 0.81 0.00 0.00 0.99 0.00 0.00 76 L 8.54 5.17 0.00 1.64 1.59 0.91 1.03 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 77 V 9.19 4.86 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 0.89 0.00 0.00 0.97 0.00 0.00 78 V 8.54 4.52 2.24 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 0.95 0.00 0.00 0.88 0.00 0.00 79 E 9.12 3.65 0.00 2.30 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 0.00 2.41 2.37 0.00 80 G 8.21 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 0.00 0.00 0.00 81 Q 7.80 4.05 0.00 2.49 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 82 R 8.00 4.84 0.00 1.64 1.75 0.00 3.15 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 83 Y 8.13 4.74 0.00 3.12 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 84 H 9.14 4.27 0.00 3.20 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.76 4.91 0.00 2.69 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 86 L 8.53 3.96 0.00 1.72 1.62 0.84 1.10 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 87 D 8.21 4.47 0.00 2.76 2.76 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 0.00 0.00 0.00 88 Q 8.13 4.11 0.00 2.42 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 89 I 7.50 3.43 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 -0.14 0.72 0.00 0.00 90 I 7.65 3.59 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.91 1.00 0.00 0.00 91 V 7.73 3.57 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 1.11 0.00 0.00 1.03 0.00 0.00 92 E 7.93 3.79 0.00 2.21 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 2.23 2.38 0.00 93 Y 7.90 3.37 0.00 1.92 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 94 L 8.29 4.15 0.00 1.90 1.77 1.05 1.00 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 95 Q 8.21 4.03 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 96 N 7.95 4.15 0.00 2.45 2.47 0.00 0.00 6.72 7.00 0.00 0.00 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 K 7.96 3.96 0.00 2.33 2.12 0.00 2.01 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.56 1.72 7.81 98 I 7.73 3.69 2.02 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 1.45 0.73 0.93 0.00 0.00 99 R 7.91 3.90 0.00 1.97 2.10 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 100 L 7.92 4.06 0.00 1.84 1.83 1.29 1.41 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 0.00 101 L 8.06 4.13 0.00 1.91 1.88 0.96 1.28 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 0.00 102 N 7.68 4.57 0.00 2.93 2.87 0.00 0.00 6.96 7.51 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 0.00 103 E 7.96 4.23 0.00 2.13 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 2.35 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.