NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0866 8.0544 114.0568 61.0054 33.1253 174.8984 7 N 4.2371 8.9417 123.3249 54.3939 38.8955 173.0278 8 S 4.7689 8.4048 110.0515 57.1175 67.1964 172.2923 9 D 4.9068 8.4067 116.6529 54.2207 41.7972 177.4602 10 V 3.7576 7.8549 112.6195 62.3689 32.1002 176.0742 11 L 4.5185 7.7237 120.9147 53.1587 41.6444 175.2777 12 T 5.1143 8.1660 113.1923 59.6343 71.6427 174.2034 13 V 4.2364 8.5856 121.2290 61.6315 33.4095 176.1888 *25 K 4.1362 7.7254 120.1325 55.3600 33.9288 173.8876 26 P 4.7034 0.0000 0.0000 63.9275 32.1783 176.7736 27 L 3.9410 8.9167 123.1966 58.3622 41.9228 179.5951 28 R 3.9448 8.0402 115.5769 59.5344 29.1215 178.4459 29 D 4.3714 8.0117 119.4674 57.3216 40.7980 178.8912 30 S 4.1362 7.8801 115.2966 61.3849 62.8825 176.7280 31 V 3.5474 7.6431 120.9121 65.8592 31.2735 178.2708 32 K 3.9735 8.1043 118.2610 59.5498 31.8969 179.4180 33 Q 3.9509 8.0968 118.0916 58.8859 28.6605 178.5499 34 A 4.0495 8.0388 121.7808 55.1232 18.3153 179.7653 35 L 3.5753 7.8400 117.5211 57.3570 41.6810 179.3911 36 K 3.8865 8.3852 119.9155 59.7662 31.9764 178.3784 37 N 4.3352 8.4018 115.9795 56.5951 39.0578 176.0095 38 Y 4.1823 7.8382 121.0900 60.8003 38.7445 177.8310 39 F 4.4166 8.0798 117.4980 60.5312 39.0668 177.2871 40 A 4.1793 8.0359 119.4485 55.5781 18.1445 178.3657 41 Q 3.8820 7.8042 117.3149 57.1613 28.9191 175.6151 *46 D 4.4573 7.1384 122.2309 54.3790 42.7098 175.3366 47 V 4.6242 8.1451 120.0862 61.4718 34.4035 175.1059 48 N 5.1786 8.7505 120.6266 52.7124 38.5655 174.2505 49 D 4.8608 7.9929 116.6826 52.5449 40.3612 176.9208 50 L 3.9106 8.4449 124.1708 59.2406 41.9107 177.7100 51 Y 3.9429 8.0052 118.8942 60.7792 38.8523 177.5132 52 E 3.9552 8.2944 119.7372 58.9301 29.6999 178.2021 53 L 3.8483 8.0037 120.4995 58.3058 42.0537 179.2735 54 V 3.4345 7.7602 118.1765 65.6255 31.3190 177.6237 55 L 3.6949 8.0367 120.2880 58.1441 41.7669 178.9474 56 A 4.2457 8.0914 122.0907 54.5766 18.0811 179.2223 57 E 3.7604 7.8149 116.7047 58.4964 29.9099 178.1928 58 V 4.0282 7.3187 117.4791 64.1403 32.4824 177.5751 59 E 3.9345 8.2584 118.8969 59.1613 29.2363 179.0761 60 Q 3.5770 7.2750 118.4639 58.3624 28.7154 177.1403 61 P 4.2025 0.0000 0.0000 65.6150 31.1537 178.1227 62 L 3.8609 7.6308 119.6810 58.0551 42.0770 178.9181 63 L 3.9608 7.9707 118.9795 57.7204 41.5367 178.9038 64 D 4.3069 8.1247 117.8487 57.8669 41.1470 178.3308 65 M 4.1062 8.3018 119.3138 58.2940 31.8978 179.0717 66 V 3.6077 8.0827 118.6374 66.3430 31.7643 178.0784 67 M 4.1213 8.2228 118.4575 58.4215 31.8104 178.8312 68 Q 4.0227 8.2478 118.3271 59.0608 28.6782 178.0430 69 Y 4.0940 8.1186 119.9918 60.4763 39.0037 177.3177 70 T 4.3318 8.2180 109.0301 60.3391 69.5990 174.9196 71 R 3.6549 8.7731 118.4664 57.7458 28.1796 177.4279 72 G 3.8562 8.6848 105.5685 45.8206 0.0000 174.0274 73 N 4.4199 8.1001 118.1763 53.5569 38.9640 174.9637 74 Q 4.0429 8.5835 128.4471 59.3069 28.9387 178.9048 75 T 3.8833 7.9236 116.3042 66.5552 68.6013 176.6687 76 R 3.9140 8.6199 120.6451 59.2110 30.0460 178.4165 77 A 4.0204 8.2223 120.4468 55.0893 18.3903 179.4538 78 A 3.9367 8.2227 119.3880 55.3829 18.2660 179.8413 79 L 3.9814 7.7077 116.2910 58.2007 41.7476 179.1989 80 M 4.1841 7.9638 117.2333 58.8547 32.2551 177.9269 81 M 4.2679 8.0525 118.3812 56.1125 32.1371 177.3843 82 G 3.8838 8.5786 106.7122 45.5402 0.0000 172.5703 83 I 4.5816 7.4053 111.2380 57.9785 40.7504 174.8230 84 N 4.7402 8.2250 118.7924 51.7001 39.8086 175.9120 85 R 3.9599 8.5059 120.2505 59.6049 30.0062 178.4199 86 G 3.6840 8.1382 104.8339 48.2200 0.0000 175.5289 87 T 3.8623 8.9023 118.6350 66.1869 68.4402 176.4162 88 L 3.9457 7.8760 122.2331 58.2677 42.0694 178.9879 89 R 3.8688 8.3240 118.8763 59.2392 29.9704 178.3547 90 K 3.9057 8.2613 119.5271 59.4852 31.8463 178.9809 91 K 3.9639 8.2769 118.8254 59.3845 31.9526 179.2743 92 L 4.1041 8.1778 119.4501 57.7343 41.5740 179.5913 93 K 4.5955 8.1616 120.7910 59.0341 31.9666 178.4409 94 K 3.7124 7.6952 118.6753 59.2017 31.9424 177.1667 95 Y 4.7671 7.4821 114.2278 56.4086 38.4897 175.9368 96 G 4.2621 8.2914 107.5143 47.2417 0.0000 174.5832 97 M 4.4288 8.7579 117.2701 54.7905 33.4338 176.6194 98 N 4.5445 7.9431 122.1527 52.8907 37.8800 174.8601 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 6 V 8.05 4.09 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 0.86 0.00 0.00 0.93 0.00 0.00 7 N 8.94 4.24 0.00 2.76 2.85 0.00 0.00 6.81 6.75 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 8 S 8.40 4.77 0.00 3.94 3.76 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 9 D 8.41 4.91 0.00 2.60 2.64 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 10 V 7.85 3.76 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 0.69 0.00 0.00 0.91 0.00 0.00 11 L 7.72 4.52 0.00 1.67 1.58 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.17 5.11 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 1.20 0.00 0.00 13 V 8.59 4.24 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 0.91 0.00 0.00 *25 K 7.73 4.14 0.00 1.97 2.10 0.00 1.51 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.43 7.81 26 P 0.00 4.70 0.00 2.23 2.22 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.96 0.00 27 L 8.92 3.94 0.00 1.79 1.69 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.04 3.94 0.00 2.07 2.18 0.00 3.02 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 29 D 8.01 4.37 0.00 3.01 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 30 S 7.88 4.14 0.00 3.96 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 31 V 7.64 3.55 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 0.98 0.00 0.00 0.95 0.00 0.00 32 K 8.10 3.97 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.69 7.81 33 Q 8.10 3.95 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 34 A 8.04 4.05 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 35 L 7.84 3.58 0.00 1.70 1.18 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.39 3.89 0.00 1.85 2.01 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.51 7.81 37 N 8.40 4.34 0.00 2.68 2.88 0.00 0.00 7.28 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 38 Y 7.84 4.18 0.00 3.01 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 39 F 8.08 4.42 0.00 3.17 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 40 A 8.04 4.18 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 41 Q 7.80 3.88 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.43 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 *46 D 7.14 4.46 0.00 2.70 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 47 V 8.15 4.62 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 1.09 0.00 0.00 1.11 0.00 0.00 48 N 8.75 5.18 0.00 2.81 2.83 0.00 0.00 5.86 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 49 D 7.99 4.86 0.00 2.83 2.88 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 50 L 8.44 3.91 0.00 1.92 1.84 0.75 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.01 3.94 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 3.96 0.00 2.20 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 2.41 2.45 0.00 53 L 8.00 3.85 0.00 1.87 1.70 0.86 0.31 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 V 7.76 3.43 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 0.80 0.00 0.00 0.82 0.00 0.00 55 L 8.04 3.69 0.00 1.23 1.59 0.83 1.25 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 56 A 8.09 4.25 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 57 E 7.81 3.76 0.00 1.95 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 2.21 2.26 0.00 58 V 7.32 4.03 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 0.94 0.00 0.00 0.86 0.00 0.00 59 E 8.26 3.93 0.00 1.96 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 2.33 2.49 0.00 60 Q 7.28 3.58 0.00 1.76 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.57 0.00 61 P 0.00 4.20 0.00 2.19 2.23 0.00 3.42 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 62 L 7.63 3.86 0.00 1.78 1.86 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.97 3.96 0.00 1.87 1.72 1.07 0.85 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 64 D 8.12 4.31 0.00 2.77 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 65 M 8.30 4.11 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.86 0.00 66 V 8.08 3.61 2.09 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 1.06 0.00 0.00 1.00 0.00 0.00 67 M 8.22 4.12 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.91 0.00 68 Q 8.25 4.02 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 69 Y 8.12 4.09 0.00 3.02 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 70 T 8.22 4.33 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 1.40 0.00 0.00 71 R 8.77 3.65 0.00 1.91 1.96 0.00 3.14 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 72 G 8.68 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 0.00 0.00 0.00 73 N 8.10 4.42 0.00 2.79 2.84 0.00 0.00 7.06 7.93 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 74 Q 8.58 4.04 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 75 T 7.92 3.88 4.38 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 1.22 0.00 0.00 76 R 8.62 3.91 0.00 2.04 1.96 0.00 3.34 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 77 A 8.22 4.02 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 78 A 8.22 3.94 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 79 L 7.71 3.98 0.00 1.82 1.76 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 80 M 7.96 4.18 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 81 M 8.05 4.27 0.00 2.03 2.24 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 2.70 2.53 0.00 82 G 8.58 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 0.00 0.00 0.00 83 I 7.41 4.58 1.88 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 1.48 0.79 0.92 0.00 0.00 84 N 8.23 4.74 0.00 3.02 3.00 0.00 0.00 5.54 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 85 R 8.51 3.96 0.00 1.95 1.98 0.00 3.38 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 86 G 8.14 3.68 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 0.00 0.00 0.00 87 T 8.90 3.86 4.40 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 1.23 0.00 0.00 88 L 7.88 3.95 0.00 1.79 1.85 0.95 0.98 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 89 R 8.32 3.87 0.00 2.16 1.91 0.00 3.25 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 1.63 1.69 0.00 90 K 8.26 3.91 0.00 1.92 1.99 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 91 K 8.28 3.96 0.00 2.05 2.01 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.73 7.81 92 L 8.18 4.10 0.00 1.90 1.76 0.94 0.90 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 93 K 8.16 4.60 0.00 1.91 1.93 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.29 7.81 94 K 7.70 3.71 0.00 1.58 1.52 0.00 1.56 0.00 0.00 1.18 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.07 7.81 95 Y 7.48 4.77 0.00 3.03 2.86 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 96 G 8.29 4.26 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 97 M 8.76 4.43 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.49 0.00 98 N 7.94 4.54 0.00 2.87 2.93 0.00 0.00 6.31 7.56 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 * Residues marked with a * may have inaccurate shift predictions.