NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 91 Q 4.2629 8.3401 119.6861 56.2369 28.9965 173.9845 92 A 4.1619 8.1781 124.9869 53.2999 20.1800 176.8820 93 D 4.6317 7.8779 114.9830 52.4693 42.9271 174.1392 94 R 3.8499 7.6131 119.7185 56.8940 29.0688 173.5765 95 L 4.2933 7.3536 129.5200 55.8186 49.6991 175.4554 96 T 3.9954 7.8062 115.3618 63.1528 67.9767 175.5137 97 Q 4.3072 7.4848 118.2600 57.5875 29.3219 175.1198 98 E 4.8197 7.6044 118.6587 56.0913 37.3712 174.8497 99 P 4.4672 0.0000 0.0000 63.6237 31.0582 177.6173 100 E 4.1242 8.0455 120.6026 58.5142 29.8609 177.9269 101 S 4.2167 8.4169 113.5355 60.3208 62.1807 175.6914 102 I 4.1681 7.5757 115.6936 64.1718 37.6465 178.4164 103 R 3.9926 8.3501 120.5475 58.9322 29.3980 179.0281 104 K 3.9908 7.9919 117.7680 59.4000 32.0190 179.0954 105 W 4.6072 7.9527 126.7686 61.0705 30.7571 177.4928 106 R 4.0144 9.1834 119.6555 59.1208 29.1151 178.4093 107 E 4.1811 8.6096 118.3716 58.4342 29.6118 178.7657 108 E 3.9822 7.9815 116.9953 58.3971 29.6653 178.5462 109 Q 4.0614 8.0652 119.0601 57.9082 29.0159 177.5021 110 R 4.3549 7.3398 112.1179 56.2617 30.1141 176.7637 111 K 4.2363 7.5597 118.6505 56.7619 32.1870 177.0723 112 R 3.9911 8.0372 118.1471 58.6360 31.0340 177.4347 113 L 3.7623 7.7982 116.9752 53.1297 48.1106 176.1467 114 Q 3.3711 7.3659 119.4147 57.7825 27.8418 178.0508 115 E 3.6381 7.7771 113.9567 57.9107 30.8301 177.5242 116 L 3.8660 7.3488 116.7296 58.4848 42.3761 178.9556 117 D 4.1200 8.2055 116.7820 57.5524 42.0230 178.9098 118 A 3.8737 9.3965 122.7951 55.6575 18.1778 179.0743 119 A 3.7002 8.7577 117.7446 56.1013 19.2444 179.7509 120 S 3.9163 8.2518 108.0573 61.1267 62.4277 176.4050 121 K 3.9035 7.5920 120.5513 60.2528 31.7124 179.5480 122 V 3.5135 7.8129 111.9008 64.6422 31.5760 178.7249 123 M 3.6279 7.7956 118.5692 58.3878 31.4437 177.5607 124 E 2.9586 8.0702 120.9315 58.3989 29.5192 178.1667 125 Q 3.9310 7.6507 122.2178 59.2083 29.4618 177.2997 126 E 4.1305 7.5905 120.9632 57.2035 29.6416 177.3121 127 W 4.4454 8.0727 117.4796 60.1611 28.2117 178.8371 128 R 4.1880 8.2259 119.1965 59.0364 29.7413 178.5863 129 E 4.1062 8.5822 117.6406 58.9846 29.2842 179.5928 130 K 3.9876 8.0464 119.2644 59.4780 32.3919 178.6900 131 A 4.7943 8.3976 122.6074 54.5225 18.1171 179.5907 132 K 4.1231 8.1880 116.8938 59.4240 32.7194 179.2118 133 K 3.9476 7.6549 119.0813 59.7714 32.3653 178.4005 134 D 4.7772 8.4058 120.4398 55.8072 39.2927 178.0268 135 L 4.0674 7.8889 121.7735 58.3320 41.6439 179.0237 136 E 4.2233 9.0046 118.1669 58.7645 28.9189 178.5811 137 E 4.1400 8.3451 119.2504 57.9131 29.7977 177.8299 138 W 4.5955 8.5523 128.5695 60.1573 31.1203 176.8239 139 N 3.9779 8.1709 117.2132 55.5125 38.2965 176.2758 140 Q 3.8925 7.9592 117.9592 59.3295 29.0299 179.5295 141 R 3.9158 8.0337 118.5267 59.8897 29.9771 177.8638 142 Q 3.9116 7.8798 117.0465 60.1077 28.8455 179.1379 143 S 3.8407 8.0461 113.9608 62.4138 62.6419 176.9043 144 E 3.9610 8.3212 120.6069 59.6349 29.3905 179.6407 145 Q 4.3686 7.8178 117.8540 59.2404 28.7203 179.3065 146 V 4.0302 8.1347 114.8879 63.7395 31.6398 178.3784 147 E 3.9605 7.9552 119.0364 59.0955 29.3066 178.8570 148 K 4.1194 8.8501 118.6150 59.8764 32.3795 177.9682 149 N 4.1074 9.0503 117.0948 56.9046 38.1379 176.8266 150 K 3.8713 8.0329 122.5800 59.8269 32.5980 178.7541 151 I 3.7798 7.1001 111.2156 63.4865 37.3913 176.3298 152 N 4.5574 7.2293 115.4183 53.7765 39.1313 174.2065 153 N 4.5479 9.0113 115.0722 54.4017 35.5066 175.6219 154 R 4.6271 7.9220 115.1562 55.4991 33.3986 175.6171 155 I 4.2338 7.7914 111.9492 60.1500 38.1302 176.2971 156 A 3.5484 7.7578 121.6307 57.0009 15.1278 179.5814 157 D 4.2473 7.9330 121.7703 57.1851 38.7399 175.2886 158 K 3.9343 7.7419 120.7595 55.1174 29.6137 176.3309 159 A 4.6878 7.1526 124.1460 53.9340 20.8423 178.6245 *160 F 4.5761 7.6180 113.3390 56.3231 39.9036 179.7918 *161 Y 4.6160 6.9808 123.5438 61.9967 39.3983 181.1974 162 Q 4.2961 7.9838 122.9020 60.8038 28.7158 181.4616 163 Q 4.2787 8.1566 124.1195 60.4343 28.2495 180.0459 164 P 4.5361 0.0000 0.0000 67.7194 30.8615 180.6329 165 D 4.5878 8.2913 120.7776 58.3286 39.4762 180.7435 166 A 4.2770 8.1491 123.9274 55.7442 18.4773 179.9450 167 D 4.5224 8.3236 121.1946 58.9079 39.8806 181.0319 168 I 4.2780 7.7175 121.4984 65.0657 35.7053 181.1437 169 I 4.3818 7.6375 124.5032 62.2911 35.6279 178.5027 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 91 Q 8.34 4.26 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 92 A 8.18 4.16 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 93 D 7.88 4.63 0.00 2.62 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 94 R 7.61 3.85 0.00 1.76 1.93 0.00 3.53 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 95 L 7.35 4.29 0.00 1.62 1.55 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.81 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 97 Q 7.48 4.31 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.45 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 98 E 7.60 4.82 0.00 1.94 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 2.27 2.30 0.00 99 P 0.00 4.47 0.00 2.32 2.08 0.00 3.76 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 2.16 0.00 100 E 8.05 4.12 0.00 2.13 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 2.37 2.30 0.00 101 S 8.42 4.22 0.00 3.78 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 0.00 102 I 7.58 4.17 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.72 1.06 0.00 0.00 103 R 8.35 3.99 0.00 2.14 2.09 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 104 K 7.99 3.99 0.00 1.77 1.87 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.43 7.81 105 W 7.95 4.61 0.00 3.69 3.13 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 0.00 106 R 9.18 4.01 0.00 1.88 1.92 0.00 3.35 0.00 0.00 3.16 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 107 E 8.61 4.18 0.00 2.05 2.02 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 2.35 2.48 0.00 108 E 7.98 3.98 0.00 2.34 2.45 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 2.50 2.78 0.00 109 Q 8.07 4.06 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 110 R 7.34 4.35 0.00 1.73 2.03 0.00 3.05 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 111 K 7.56 4.24 0.00 1.97 2.01 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.52 7.81 112 R 8.04 3.99 0.00 1.91 2.04 0.00 3.46 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 1.60 1.54 0.00 113 L 7.80 3.76 0.00 1.71 1.69 0.91 0.86 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 0.00 114 Q 7.37 3.37 0.00 2.33 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.70 6.21 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 115 E 7.78 3.64 0.00 2.12 1.87 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 2.36 2.45 0.00 116 L 7.35 3.87 0.00 1.79 1.62 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.21 4.12 0.00 2.74 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 0.00 118 A 9.40 3.87 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 0.00 119 A 8.76 3.70 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.25 3.92 0.00 3.82 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 0.00 121 K 7.59 3.90 0.00 2.00 1.79 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.62 7.81 122 V 7.81 3.51 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 0.87 0.00 0.00 0.87 0.00 0.00 123 M 7.80 3.63 0.00 1.44 1.72 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.85 0.00 124 E 8.07 2.96 0.00 1.91 1.88 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 2.27 2.27 0.00 125 Q 7.65 3.93 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 126 E 7.59 4.13 0.00 2.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 127 W 8.07 4.45 0.00 3.53 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 4.19 0.00 2.06 2.15 0.00 3.27 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.44 0.00 129 E 8.58 4.11 0.00 2.19 2.42 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 2.64 2.39 0.00 130 K 8.05 3.99 0.00 2.04 1.95 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.18 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.58 1.56 7.81 131 A 8.40 4.79 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 0.00 132 K 8.19 4.12 0.00 2.07 2.12 0.00 1.36 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.51 7.81 133 K 7.65 3.95 0.00 1.97 1.91 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.64 7.81 134 D 8.41 4.78 0.00 2.97 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 0.00 135 L 7.89 4.07 0.00 2.13 1.92 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 136 E 9.00 4.22 0.00 2.05 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 2.37 2.60 0.00 137 E 8.35 4.14 0.00 2.29 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 2.35 2.35 0.00 138 W 8.55 4.60 0.00 3.35 3.43 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 0.00 139 N 8.17 3.98 0.00 2.75 2.65 0.00 0.00 7.19 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 0.00 140 Q 7.96 3.89 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 141 R 8.03 3.92 0.00 2.07 1.98 0.00 3.26 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 142 Q 7.88 3.91 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.35 0.00 0.00 0.00 0.00 0.00 2.20 1.65 0.00 143 S 8.05 3.84 0.00 3.98 3.79 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 0.00 144 E 8.32 3.96 0.00 1.96 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 2.31 2.32 0.00 145 Q 7.82 4.37 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 146 V 8.13 4.03 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 0.98 0.00 0.00 0.99 0.00 0.00 147 E 7.96 3.96 0.00 2.31 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 2.28 2.37 0.00 148 K 8.85 4.12 0.00 1.87 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 149 N 9.05 4.11 0.00 2.95 2.78 0.00 0.00 6.89 6.79 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 0.00 150 K 8.03 3.87 0.00 1.69 1.90 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 151 I 7.10 3.78 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 1.85 0.52 0.97 0.00 0.00 152 N 7.23 4.56 0.00 2.87 2.78 0.00 0.00 7.15 8.21 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 0.00 153 N 9.01 4.55 0.00 2.89 2.97 0.00 0.00 6.71 7.66 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 0.00 154 R 7.92 4.63 0.00 2.11 1.89 0.00 3.16 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.98 0.00 155 I 7.79 4.23 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 1.35 0.88 0.91 0.00 0.00 156 A 7.76 3.55 1.44 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 0.00 157 D 7.93 4.25 0.00 2.71 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 0.00 158 K 7.74 3.93 0.00 1.89 1.67 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 0.98 7.81 159 A 7.15 4.69 1.29 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 0.00 0.00 *160 F 7.62 4.58 0.00 2.25 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 0.00 0.00 0.00 *161 Y 6.98 4.62 0.00 2.27 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 0.00 0.00 0.00 0.00 162 Q 7.98 4.30 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.88 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 163 Q 8.16 4.28 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.88 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 164 P 0.00 4.54 0.00 2.07 2.08 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 165 D 8.29 4.59 0.00 2.67 2.71 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 0.00 166 A 8.15 4.28 1.37 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 0.00 0.00 167 D 8.32 4.52 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.72 4.28 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 1.38 1.11 0.91 0.00 0.00 169 I 7.64 4.38 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 1.38 1.14 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.