NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3602 8.1933 115.2840 57.8190 64.5413 175.3003 4 T 3.6800 7.9336 117.1859 67.2751 68.1785 174.4513 5 T 3.8006 8.7865 118.4524 66.8478 68.8916 176.1708 6 K 3.9560 7.9072 119.4725 59.4613 32.0746 179.1068 7 E 3.9620 7.9311 118.8645 59.1757 29.2939 179.0699 8 L 3.9283 8.5038 120.6603 58.2840 42.1187 178.9700 9 I 3.7329 8.5347 120.7371 64.5343 37.1555 178.5776 10 K 3.9776 8.5659 119.5616 59.3167 31.7568 179.4207 11 K 3.9602 8.4873 120.3301 59.4763 32.1440 178.7775 12 L 3.9710 8.8160 119.8714 57.8554 41.6386 179.4536 13 A 4.0279 8.3559 120.9033 55.1436 18.1168 179.3639 14 E 3.9038 7.9203 116.6122 59.3449 29.8059 178.8488 15 I 3.9329 7.8519 118.8809 64.2599 37.7271 177.4324 16 N 4.5672 8.7095 116.7426 53.4867 39.2460 176.4383 17 K 3.7571 8.0287 119.5088 58.3488 30.4171 175.4761 18 C 4.9342 8.5262 119.3211 58.3254 40.7913 176.2915 19 E 3.8772 8.0033 118.3234 58.3860 29.7536 179.6394 20 N 4.7437 7.7922 119.5701 53.5838 39.7476 176.0219 21 E 4.0030 8.7022 128.1207 61.1867 29.9783 175.3506 22 I 3.7072 7.7044 120.3868 64.4205 37.0849 178.5543 23 S 4.2906 7.9243 114.6948 61.4692 62.5647 176.5959 24 A 4.0943 8.3372 125.9422 55.7451 17.9287 180.4683 25 K 3.9848 8.1906 122.1618 60.1760 31.8155 180.4224 26 Y 4.6055 8.2117 121.1888 60.9559 38.6365 177.6055 27 C 4.2152 8.7598 117.5019 59.7056 40.1044 175.7209 28 D 4.1854 8.2177 120.2476 57.4188 40.3555 178.2533 29 H 4.3355 7.7030 116.0420 58.9947 29.1805 177.1397 30 M 3.9997 7.7207 120.2215 58.1452 31.6051 177.5208 31 I 3.7211 7.0266 110.5620 61.0682 37.7573 176.0289 32 H 4.1573 7.8015 121.0277 56.9741 27.8644 173.1631 *36 P 4.2374 0.0000 0.0000 62.7252 32.1794 176.3741 37 L 4.8636 8.1900 121.7949 54.5406 42.8621 178.4166 38 K 4.1796 8.3811 118.9774 59.6674 32.7279 179.0444 39 T 4.1283 7.9034 113.3704 65.3537 68.8279 175.3579 40 C 5.0501 7.6763 116.2651 54.3917 44.7549 174.0567 41 T 4.1443 8.0518 111.2688 61.4922 70.1550 175.0137 42 K 3.8181 8.5919 123.4655 59.7918 32.2246 178.5224 43 E 3.9008 8.1566 118.8588 59.3761 29.6072 178.6140 44 K 3.9643 8.0191 119.5032 59.7351 32.1553 178.9138 45 T 3.8718 8.1196 116.1946 66.5263 68.2906 176.5934 46 R 3.8965 8.3384 120.9698 59.6247 30.1533 178.2837 47 N 4.3534 8.3297 116.2657 56.2678 38.4874 177.1970 48 L 4.0287 8.1077 121.8112 58.1148 42.1307 178.1105 49 C 4.6398 8.6815 118.7213 60.1979 41.8321 175.0196 50 C 4.3645 8.7110 118.1034 59.8600 37.6961 175.9663 51 A 4.0224 8.2846 122.4784 55.1270 17.9254 179.7040 52 V 3.5705 8.0731 116.7972 66.2527 31.5698 178.0344 53 S 4.2504 8.4677 112.7669 61.7183 62.0733 175.8513 54 D 4.4149 8.4104 120.4616 57.4803 40.7856 177.8440 55 Y 4.2645 8.5406 120.3315 61.1505 38.8672 177.6317 56 C 4.3930 8.7160 117.5907 60.3878 38.5570 176.0703 57 M 4.8472 8.7898 121.5713 57.4764 31.2779 178.6698 58 S 4.0552 7.4448 113.3614 60.4293 63.1366 174.9985 59 Y 4.1758 6.4908 116.4127 57.3926 39.5590 175.9504 60 F 5.1910 7.6376 117.1371 55.3883 43.0978 174.4131 61 T 4.1543 8.5740 121.0724 63.3993 68.8483 173.1839 62 Y 3.0602 8.2151 126.2686 59.3292 38.8662 176.0711 63 D 4.3489 6.8460 124.1672 55.2257 40.6530 174.8325 64 S 4.4668 7.3871 113.4716 58.3822 65.3282 174.7216 65 E 4.0467 8.6733 122.2902 59.8740 29.1768 179.4071 66 E 3.5894 7.9078 118.6622 58.9539 29.5597 177.9586 67 Y 4.0767 7.6069 119.4032 60.9736 38.6870 177.8047 68 Y 4.0278 7.6837 117.4333 61.0346 37.9349 178.1837 69 D 4.3491 8.1053 119.8950 57.3940 40.6758 178.0146 70 C 4.2699 8.3463 119.4925 59.9500 43.7843 175.8180 71 T 3.3469 7.6292 111.3688 64.5439 68.3306 176.6500 72 K 3.9663 8.2993 121.8992 59.0257 31.8246 179.1066 73 R 3.9067 7.7927 118.0552 59.4953 30.2626 178.2201 74 E 4.2923 7.7228 117.9508 59.6910 29.3225 179.4259 75 F 3.8750 7.5366 116.3467 60.1725 38.9667 176.6804 76 D 4.8920 8.1437 116.3513 54.0260 41.3670 175.9101 77 D 4.6492 8.1450 121.2165 52.7272 40.8722 174.8910 78 P 4.5952 0.0000 0.0000 64.4577 31.5717 177.4058 79 S 4.0237 8.3574 114.3846 61.3782 62.4511 173.7068 80 Y 4.2321 7.9029 119.3370 57.4259 37.1750 176.3512 81 T 3.9095 8.6227 116.6650 64.8917 68.9918 177.2885 82 C 4.3129 7.9282 118.1536 59.1685 40.3410 174.2742 83 F 4.7213 7.5230 116.3728 57.9338 39.1261 176.0066 84 R 4.1956 7.6499 124.5908 56.6182 29.7845 176.3050 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 3 S 8.19 4.36 0.00 3.81 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 4 T 7.93 3.68 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 1.24 0.00 0.00 5 T 8.79 3.80 4.19 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 0.87 0.00 0.00 6 K 7.91 3.96 0.00 1.62 1.55 0.00 0.97 0.00 0.00 0.85 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.26 7.81 7 E 7.93 3.96 0.00 2.09 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 2.46 2.45 0.00 8 L 8.50 3.93 0.00 1.74 1.88 0.99 1.48 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 9 I 8.53 3.73 2.03 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.93 0.00 0.00 10 K 8.57 3.98 0.00 2.04 1.88 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.32 7.81 11 K 8.49 3.96 0.00 2.04 1.90 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 12 L 8.82 3.97 0.00 1.98 1.77 1.03 0.56 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 13 A 8.36 4.03 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 0.00 0.00 14 E 7.92 3.90 0.00 2.02 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 2.33 2.35 0.00 15 I 7.85 3.93 1.89 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 1.53 0.80 0.92 0.00 0.00 16 N 8.71 4.57 0.00 2.84 2.87 0.00 0.00 7.19 6.56 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 17 K 8.03 3.76 0.00 1.92 1.68 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.40 7.81 18 C 8.53 4.93 0.00 3.00 3.10 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 0.00 0.00 0.00 19 E 8.00 3.88 0.00 2.01 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 2.26 2.13 0.00 20 N 7.79 4.74 0.00 2.92 2.82 0.00 0.00 7.16 7.53 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 21 E 8.70 4.00 0.00 2.01 1.94 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 2.31 1.97 0.00 22 I 7.70 3.71 1.73 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 1.37 0.36 -0.14 0.00 0.00 23 S 7.92 4.29 0.00 4.11 4.05 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 0.00 0.00 0.00 24 A 8.34 4.09 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 0.00 0.00 25 K 8.19 3.98 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 26 Y 8.21 4.61 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 27 C 8.76 4.22 0.00 3.16 3.12 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 28 D 8.22 4.19 0.00 2.77 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 29 H 7.70 4.34 0.00 3.24 3.35 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.72 4.00 0.00 1.64 1.57 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 31 I 7.03 3.72 1.78 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 1.65 0.64 0.84 0.00 0.00 32 H 7.80 4.16 0.00 3.29 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 P 0.00 4.24 0.00 2.37 2.12 0.00 3.53 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 37 L 8.19 4.86 0.00 1.60 1.65 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.38 4.18 0.00 1.76 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.41 7.81 39 T 7.90 4.13 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 1.21 0.00 0.00 40 C 7.68 5.05 0.00 2.89 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 41 T 8.05 4.14 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 42 K 8.59 3.82 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.50 7.81 43 E 8.16 3.90 0.00 2.07 1.94 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 2.38 2.38 0.00 44 K 8.02 3.96 0.00 1.88 1.77 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 45 T 8.12 3.87 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 1.36 0.00 0.00 46 R 8.34 3.90 0.00 1.97 2.09 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 47 N 8.33 4.35 0.00 2.94 2.88 0.00 0.00 6.71 6.35 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 48 L 8.11 4.03 0.00 1.87 1.82 0.92 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.68 4.64 0.00 3.08 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 C 8.71 4.36 0.00 3.23 3.20 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 0.00 0.00 0.00 0.00 51 A 8.28 4.02 1.48 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 0.00 0.00 52 V 8.07 3.57 2.39 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 0.60 0.00 0.00 1.02 0.00 0.00 53 S 8.47 4.25 0.00 4.38 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 54 D 8.41 4.41 0.00 2.89 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 55 Y 8.54 4.26 0.00 3.08 3.26 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 56 C 8.72 4.39 0.00 3.03 3.16 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 0.00 0.00 0.00 0.00 57 M 8.79 4.85 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.31 0.00 58 S 7.44 4.06 0.00 3.57 3.70 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 0.00 0.00 0.00 59 Y 6.49 4.18 0.00 1.43 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.64 5.19 0.00 3.19 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 61 T 8.57 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 1.18 0.00 0.00 62 Y 8.22 3.06 0.00 2.49 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 63 D 6.85 4.35 0.00 2.25 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 64 S 7.39 4.47 0.00 4.09 3.97 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 65 E 8.67 4.05 0.00 2.03 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 0.00 2.40 2.47 0.00 66 E 7.91 3.59 0.00 1.61 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 1.49 1.47 0.00 67 Y 7.61 4.08 0.00 3.09 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 68 Y 7.68 4.03 0.00 3.10 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 69 D 8.11 4.35 0.00 2.80 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 70 C 8.35 4.27 0.00 3.16 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 71 T 7.63 3.35 3.66 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 0.45 0.00 0.00 72 K 8.30 3.97 0.00 2.02 1.93 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.63 7.81 73 R 7.79 3.91 0.00 2.00 2.10 0.00 3.28 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 74 E 7.72 4.29 0.00 1.69 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 2.52 2.44 0.00 75 F 7.54 3.87 0.00 2.85 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 76 D 8.14 4.89 0.00 2.78 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 77 D 8.14 4.65 0.00 3.09 3.07 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 0.00 0.00 0.00 78 P 0.00 4.60 0.00 2.25 2.22 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 79 S 8.36 4.02 0.00 3.74 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 80 Y 7.90 4.23 0.00 3.15 2.44 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 81 T 8.62 3.91 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 1.19 0.00 0.00 82 C 7.93 4.31 0.00 2.50 3.04 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 F 7.52 4.72 0.00 3.12 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 84 R 7.65 4.20 0.00 2.00 1.91 0.00 3.34 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.