NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *94 H 4.5080 8.4449 119.2133 54.8375 30.2242 172.2791 95 F 4.4975 8.8882 119.1186 55.9089 41.3794 172.9074 96 H 5.3796 9.0510 121.9715 54.7751 31.1852 174.1292 97 V 4.8851 9.2333 122.9286 61.0752 34.2093 174.0215 98 F 4.5930 9.5148 130.9025 57.2344 41.1393 174.3343 99 V 4.2897 7.4671 125.7829 61.0144 33.8706 174.6866 100 G 4.0788 8.7635 115.5629 43.9535 0.0000 171.7131 101 D 4.6502 8.3810 116.0739 55.1139 38.3150 174.6399 102 L 4.3117 8.1832 119.7417 53.5493 42.9342 177.7297 103 S 4.5270 8.5181 118.0779 57.5979 63.5261 173.4730 104 P 4.2766 0.0000 0.0000 65.3949 31.1132 177.3111 105 E 4.2525 8.0078 113.5375 56.7270 30.2497 176.4643 106 I 3.8400 7.6017 122.5158 61.5393 37.5895 176.2669 107 T 4.5538 8.1721 116.1110 60.0744 72.2870 175.5609 108 T 3.8508 8.2674 111.2890 64.9180 68.5514 176.3193 109 A 3.9689 8.0020 122.9188 54.8160 18.4131 179.2598 110 A 3.9722 7.8878 119.1258 55.2643 18.3901 180.0402 111 I 3.8268 7.7585 118.1167 64.4712 37.2455 178.2858 112 A 4.0384 8.3468 121.7528 55.3477 17.9720 179.4378 113 A 4.0323 8.1598 117.8751 55.3712 18.5218 179.3342 114 A 4.1780 7.9806 117.5066 54.1593 19.1424 178.8463 115 F 4.8314 8.6722 114.9595 58.4987 39.9452 177.8922 116 A 4.2239 8.7419 121.3824 54.7658 17.8697 177.7788 117 P 4.2553 0.0000 0.0000 65.4533 31.4171 178.2724 118 F 4.4591 8.3836 115.5282 57.3073 39.1098 175.4765 119 G 4.3388 7.3692 106.2283 44.4745 0.0000 171.7750 120 R 4.0918 8.2767 119.8914 56.5246 30.2745 174.9734 121 I 4.5911 8.3764 126.3712 59.5433 38.4848 174.9943 122 S 4.4595 7.8901 122.4079 59.1595 62.6327 173.4909 123 D 5.1275 7.6299 118.0163 51.4493 45.1775 174.0246 124 A 5.1261 8.2369 122.2951 50.6489 22.4035 175.4466 125 R 4.6429 9.1795 120.1775 54.8607 34.4181 173.9734 126 V 4.5232 8.1284 123.6217 60.7153 33.9842 175.1612 127 V 3.6889 8.4179 129.3099 62.9746 32.1591 175.0660 128 K 4.9720 8.3645 126.7254 54.2857 35.2299 175.3846 129 D 4.4447 9.1794 123.6328 54.4691 41.4728 177.4267 130 M 4.2891 8.9362 125.6261 58.1714 32.5180 177.7758 131 A 4.1879 8.2356 121.0296 54.8520 19.0302 178.3161 132 T 4.1546 8.7064 104.2966 61.5532 69.6980 176.2505 133 G 3.9342 8.5620 109.4088 44.9992 0.0000 173.5717 134 K 4.2584 7.6856 119.6495 55.6205 33.3750 176.6056 135 S 4.3313 8.6689 118.1146 59.2480 62.5462 174.2458 136 K 4.1114 9.2581 125.4519 56.6126 32.5692 177.8758 137 G 4.3097 9.9229 109.9376 44.6682 0.0000 172.2534 138 Y 4.9509 7.1788 115.9331 56.2420 41.4048 174.3181 139 G 4.3876 8.3596 106.6965 46.1080 0.0000 171.4454 140 F 5.3676 9.1484 117.1066 55.9924 44.1720 174.1876 141 V 4.6872 8.9473 120.5123 61.3201 35.0451 174.1373 142 S 5.2819 9.1670 123.6462 56.8538 65.4382 173.1258 143 F 5.2406 9.2612 123.3660 55.7973 41.2360 176.8968 144 F 4.3362 9.2848 120.4329 59.4012 39.7470 175.4249 145 N 5.1843 8.5041 116.9760 50.8781 41.8492 174.7565 146 K 3.3129 7.5913 125.4176 58.9068 31.9992 179.0263 147 W 4.2425 7.3706 118.6792 60.0771 29.0356 177.9749 148 D 4.3746 8.3086 117.9409 57.2146 40.2105 178.6204 149 A 3.1037 7.4956 120.6408 54.8555 18.4160 179.3732 150 E 3.4986 8.4812 117.3400 59.6126 29.6164 179.3698 151 N 4.2645 8.3909 116.4085 56.2415 38.5536 177.2809 152 A 2.5800 7.6809 122.2752 54.5916 18.2576 179.5596 153 I 3.4245 7.2933 118.2339 64.6446 36.9347 178.6946 154 Q 3.8970 7.5041 117.1012 58.9196 28.6390 178.5494 155 Q 4.0776 7.6600 119.0360 59.5925 29.6198 177.7974 156 M 4.3034 8.0304 119.0259 55.8408 31.7962 176.5997 157 G 3.7468 7.0981 109.5594 46.9060 0.0000 174.1789 158 G 3.8000 8.8987 114.3967 45.2696 0.0000 173.7284 159 Q 4.1377 7.6943 119.2552 55.2941 29.3614 175.3998 160 W 4.5743 8.6057 121.2930 56.1664 29.6151 176.1692 161 L 4.3767 9.1546 126.0107 55.0757 43.5511 175.6464 162 G 4.3291 9.2415 115.3714 46.6339 0.0000 173.8608 163 G 4.1200 9.0749 106.8579 44.9924 0.0000 173.7733 164 R 4.9050 7.6181 117.3067 54.3790 35.2177 174.3089 165 Q 4.1795 7.8444 119.8386 54.5471 29.1838 176.2369 166 I 4.1819 8.1308 118.4452 60.7666 39.5216 175.0475 167 R 5.0047 8.7407 121.9368 54.5864 33.1951 175.0263 168 T 5.6606 7.9479 111.9614 59.3766 72.2362 171.9920 169 N 4.3401 8.0668 119.3106 52.7798 42.4039 173.3854 170 W 4.9077 8.9040 121.0538 56.8879 29.9845 175.3201 171 A 4.8796 8.7430 122.8626 51.1315 22.6345 176.6245 172 T 3.6550 8.6513 114.2620 64.3450 68.6308 172.5314 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 *94 H 8.44 4.51 0.00 2.71 2.92 0.00 7.12 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.89 4.50 0.00 3.17 3.37 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 96 H 9.05 5.38 0.00 3.46 3.38 0.00 5.56 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 97 V 9.23 4.89 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 0.95 0.00 0.00 0.93 0.00 0.00 98 F 9.51 4.59 0.00 3.10 2.99 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 0.00 0.00 0.00 99 V 7.47 4.29 1.66 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 0.86 0.00 0.00 0.39 0.00 0.00 100 G 8.76 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 0.00 101 D 8.38 4.65 0.00 2.76 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 0.00 102 L 8.18 4.31 0.00 1.60 1.55 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.52 4.53 0.00 4.13 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 0.00 104 P 0.00 4.28 0.00 2.07 2.17 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 105 E 8.01 4.25 0.00 2.08 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 2.26 2.28 0.00 106 I 7.60 3.84 1.94 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 1.49 0.82 0.92 0.00 0.00 107 T 8.17 4.55 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 1.27 0.00 0.00 108 T 8.27 3.85 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 1.21 0.00 0.00 109 A 8.00 3.97 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 0.00 110 A 7.89 3.97 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 0.00 111 I 7.76 3.83 2.04 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 1.47 0.76 0.74 0.00 0.00 112 A 8.35 4.04 1.39 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 0.00 113 A 8.16 4.03 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 0.00 114 A 7.98 4.18 1.36 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 0.00 0.00 0.00 115 F 8.67 4.83 0.00 3.27 3.42 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 0.00 116 A 8.74 4.22 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 1.62 1.95 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 118 F 8.38 4.46 0.00 3.41 3.09 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 0.00 119 G 7.37 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.28 4.09 0.00 1.95 2.07 0.00 2.99 0.00 0.00 2.84 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 121 I 8.38 4.59 1.79 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 0.09 0.79 0.65 0.00 0.00 122 S 7.89 4.46 0.00 3.52 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.63 5.13 0.00 2.71 2.43 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 0.00 124 A 8.24 5.13 1.11 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 0.00 0.00 0.00 0.00 0.00 125 R 9.18 4.64 0.00 1.84 1.79 0.00 3.01 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 126 V 8.13 4.52 2.03 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 0.74 0.00 0.00 0.87 0.00 0.00 127 V 8.42 3.69 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 0.76 0.00 0.00 1.05 0.00 0.00 128 K 8.36 4.97 0.00 1.62 1.78 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.53 7.81 129 D 9.18 4.44 0.00 2.76 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 0.00 130 M 8.94 4.29 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 131 A 8.24 4.19 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 0.00 132 T 8.71 4.15 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 0.00 133 G 8.56 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.69 4.26 0.00 1.76 1.72 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.38 7.81 135 S 8.67 4.33 0.00 3.83 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 0.00 136 K 9.26 4.11 0.00 1.38 1.81 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.27 7.81 137 G 9.92 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.18 4.95 0.00 2.85 2.94 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 0.00 139 G 8.36 4.39 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 0.00 140 F 9.15 5.37 0.00 2.84 2.92 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 0.00 141 V 8.95 4.69 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 0.58 0.00 0.00 0.37 0.00 0.00 142 S 9.17 5.28 0.00 3.76 3.61 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 0.00 143 F 9.26 5.24 0.00 3.16 3.22 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 0.00 144 F 9.28 4.34 0.00 3.10 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 0.00 145 N 8.50 5.18 0.00 2.99 3.01 0.00 0.00 6.87 5.97 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 0.00 146 K 7.59 3.31 0.00 0.79 0.74 0.00 1.22 0.00 0.00 1.16 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.26 7.81 147 W 7.37 4.24 0.00 3.46 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 0.00 148 D 8.31 4.37 0.00 2.83 2.82 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 0.00 149 A 7.50 3.10 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 0.00 150 E 8.48 3.50 0.00 2.16 2.10 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 2.80 2.67 0.00 151 N 8.39 4.26 0.00 2.92 3.05 0.00 0.00 6.97 6.84 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 0.00 152 A 7.68 2.58 0.93 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 0.00 0.00 0.00 0.00 0.00 153 I 7.29 3.42 1.53 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 1.12 0.74 0.64 0.00 0.00 154 Q 7.50 3.90 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 155 Q 7.66 4.08 0.00 2.15 2.13 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 2.75 2.63 0.00 156 M 8.03 4.30 0.00 1.79 2.01 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.00 0.00 157 G 7.10 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 0.00 158 G 8.90 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 0.00 159 Q 7.69 4.14 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 160 W 8.61 4.57 0.00 3.30 3.21 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 0.00 0.00 0.00 0.00 161 L 9.15 4.38 0.00 1.60 1.51 0.99 1.33 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 0.00 162 G 9.24 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 9.07 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 0.00 0.00 0.00 164 R 7.62 4.90 0.00 1.77 1.72 0.00 3.35 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 165 Q 7.84 4.18 0.00 1.30 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.05 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.00 166 I 8.13 4.18 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.89 0.00 0.00 167 R 8.74 5.00 0.00 1.75 1.85 0.00 3.18 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 168 T 7.95 5.66 4.18 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 1.27 0.00 0.00 169 N 8.07 4.34 0.00 2.88 2.76 0.00 0.00 6.97 7.95 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 0.00 170 W 8.90 4.91 0.00 3.27 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 0.00 171 A 8.74 4.88 1.69 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 0.00 0.00 172 T 8.65 3.66 4.29 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.