NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1657 8.1733 122.0276 56.1272 34.1094 174.5342 3 I 3.8155 7.9813 127.2243 60.0487 37.6846 174.0679 4 I 4.2329 8.2624 125.5456 61.5885 40.3869 175.1088 5 S 4.5708 7.3807 113.3286 57.5613 65.6562 173.8525 6 I 4.9279 8.4029 126.7003 59.8100 39.8899 174.6541 7 S 4.6878 8.6994 122.0636 56.8329 67.1750 172.8226 8 E 4.2995 8.5478 120.6718 55.2119 30.7769 174.5774 9 T 4.5861 7.7991 117.7316 59.0408 70.0774 173.0721 10 P 4.2753 0.0000 0.0000 64.4602 31.1796 175.3472 11 N 5.0067 7.4941 116.8199 52.0233 41.4659 173.3797 12 H 4.6429 8.7319 119.8986 58.5129 30.6378 175.2577 13 N 4.9703 8.1879 114.7014 53.7381 39.4709 174.3177 14 T 6.0071 7.6195 113.0247 59.7364 71.7247 172.4418 *16 K 4.0853 8.4107 122.5584 56.3724 33.6587 174.2398 17 I 4.8093 8.6239 129.0457 60.0380 39.3275 174.8697 18 T 4.8635 9.0780 125.3388 62.5597 69.8242 174.8147 19 L 4.8503 8.4694 126.7947 53.2766 43.5726 177.5165 20 S 4.0838 8.3463 115.2666 61.3403 63.2515 174.7194 21 E 3.9746 7.8656 123.0458 55.1501 29.4870 176.1128 22 S 4.4871 8.3437 120.9632 57.2009 63.6367 173.1381 23 R 4.2057 8.0936 123.9614 55.6644 30.7229 176.1443 24 E 4.1206 8.8753 125.7365 59.1947 30.7614 177.1933 25 G 3.9264 7.5555 115.3028 45.5809 0.0000 172.8436 *27 T 4.0419 8.1995 115.0015 61.5165 69.7566 172.9347 28 S 4.7221 8.1302 116.1145 56.9213 66.1030 172.8840 29 D 4.5315 8.2448 118.5362 52.9820 45.3559 174.8833 30 T 4.9195 8.1821 119.0099 62.1170 71.1129 172.8583 31 Y 4.8844 8.7746 125.6703 56.6658 39.3847 176.8131 32 T 4.5391 8.8998 113.6571 61.4529 70.7979 174.2475 33 K 4.6770 7.6211 119.3110 55.1326 35.6286 175.9599 34 V 4.1630 8.3408 113.1996 60.4727 32.8439 175.4506 35 D 4.4940 8.2800 119.5236 52.3403 41.2487 176.3425 36 D 4.4217 8.9990 121.1204 56.4697 39.2248 178.3562 37 S 4.2157 7.9759 113.6151 60.9447 63.5257 174.6817 38 Q 4.0828 7.7080 119.0873 54.3721 29.1648 173.8361 39 P 4.3128 0.0000 0.0000 62.0672 33.2847 177.6847 40 A 3.8776 8.4201 122.6954 55.4259 18.4821 180.2744 41 F 4.0774 8.2394 112.5858 60.1289 37.7684 177.5390 42 I 3.1188 6.2777 119.7587 64.0107 36.8555 177.8982 43 N 4.2994 7.5448 117.2114 56.0576 38.1125 177.3223 44 D 4.3441 7.7591 119.8913 57.1094 41.0887 178.5578 45 I 3.8573 7.6218 120.4570 64.4046 36.9393 178.3530 46 L 3.9967 7.4409 118.0252 57.7657 41.5421 179.3268 47 K 4.2074 7.6648 115.8526 56.7814 32.3848 177.4073 48 V 3.6297 7.4804 121.5742 61.9420 31.8485 174.4572 49 E 4.0886 8.7282 128.4537 58.9811 29.7074 175.7711 50 G 3.9332 8.9487 115.1114 45.7691 0.0000 173.2559 51 V 4.0346 7.5764 120.4144 62.7267 32.0610 174.9906 52 K 4.4215 9.6440 130.6279 58.2295 32.8673 176.1435 53 S 4.9325 7.7051 111.7921 57.3996 67.1817 172.0484 54 I 5.2021 8.8493 119.6256 59.7447 41.2329 174.3243 55 F 5.2347 9.7187 130.0362 56.8191 41.4986 173.5806 56 H 5.1834 8.7479 126.9424 53.9307 32.3916 175.0077 57 V 3.8346 7.5958 126.1209 60.7256 32.6889 174.2218 *59 D 4.8343 8.1840 119.0764 53.4276 41.5373 174.2119 60 F 5.4728 7.6500 112.5675 56.6808 41.8616 172.5536 61 I 5.0989 9.0031 113.5309 59.3817 40.7524 174.3661 62 S 5.1823 9.8979 122.9580 57.1296 64.8121 173.1866 63 V 4.7771 8.5674 125.5137 61.9023 33.2477 174.0329 64 D 5.7855 9.1604 127.6962 52.5857 43.3120 176.2423 65 K 4.8187 8.9938 123.3472 55.1961 35.0502 175.9475 66 E 4.1224 8.8374 120.2263 55.8629 29.9803 178.1748 67 N 4.4146 8.8988 121.4235 56.7549 39.1137 175.5556 68 D 4.4608 7.9306 115.1674 55.0438 41.5008 176.1879 69 A 4.4351 7.4580 122.3329 50.8102 20.3430 176.0562 70 N 4.9988 7.9687 115.8082 50.1999 40.0715 175.9705 71 W 4.3941 8.6538 120.3048 59.9083 28.9012 178.4913 72 E 4.0194 8.4548 117.6381 59.1404 28.9179 178.1070 73 T 4.3442 7.6495 110.9055 63.1204 68.4200 176.4608 74 V 3.8224 7.6031 119.8359 65.5101 31.7571 177.3115 75 L 4.1936 8.4882 120.6954 57.9151 41.9254 177.2403 76 P 4.3045 0.0000 0.0000 66.0049 31.0392 178.5610 77 K 4.0849 8.0238 116.8850 58.8887 31.9830 179.1069 78 V 3.8063 8.0691 119.0630 66.0110 31.3903 177.7236 79 E 4.3176 8.7700 118.9498 58.8988 29.4860 178.4253 80 A 4.0956 8.1520 120.9047 54.6672 18.0824 179.7176 81 V 3.4462 7.2359 116.2707 66.1331 31.7120 177.7582 82 F 4.2124 7.6806 114.7485 57.7139 38.8581 175.3199 83 E 4.2257 7.9328 123.5977 56.8984 30.0694 174.1793 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 2 K 8.17 4.17 0.00 1.80 1.65 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 3 I 7.98 3.82 1.71 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.07 0.84 0.00 0.00 4 I 8.26 4.23 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.79 0.97 0.00 0.00 5 S 7.38 4.57 0.00 3.84 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.40 4.93 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.79 0.00 0.00 7 S 8.70 4.69 0.00 3.59 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 4.30 0.00 1.81 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 0.00 2.19 2.29 0.00 9 T 7.80 4.59 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 10 P 0.00 4.28 0.00 2.21 2.16 0.00 3.74 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 1.98 1.95 0.00 11 N 7.49 5.01 0.00 2.66 2.77 0.00 0.00 7.05 7.75 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 12 H 8.73 4.64 0.00 3.21 3.38 0.00 5.77 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.19 4.97 0.00 2.76 2.99 0.00 0.00 6.51 7.05 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 14 T 7.62 6.01 4.84 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 1.29 0.00 0.00 *16 K 8.41 4.09 0.00 1.81 1.60 0.00 1.29 0.00 0.00 1.52 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.20 7.81 17 I 8.62 4.81 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.88 0.00 0.00 18 T 9.08 4.86 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 1.31 0.00 0.00 19 L 8.47 4.85 0.00 1.43 1.39 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.35 4.08 0.00 3.96 3.92 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 21 E 7.87 3.97 0.00 1.89 1.86 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 2.28 2.28 0.00 22 S 8.34 4.49 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.09 4.21 0.00 1.71 1.71 0.00 2.76 0.00 0.00 2.87 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 24 E 8.88 4.12 0.00 1.97 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 2.28 2.30 0.00 25 G 7.56 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 *27 T 8.20 4.04 4.20 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 1.19 0.00 0.00 28 S 8.13 4.72 0.00 3.24 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 29 D 8.24 4.53 0.00 2.24 1.54 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 30 T 8.18 4.92 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 1.28 0.00 0.00 31 Y 8.77 4.88 0.00 2.96 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 32 T 8.90 4.54 4.27 0.00 0.00 0.00 0.00 0.00 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 33 K 7.62 4.68 0.00 1.83 1.77 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.48 7.81 34 V 8.34 4.16 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 0.94 0.00 0.00 0.90 0.00 0.00 35 D 8.28 4.49 0.00 2.78 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 36 D 9.00 4.42 0.00 2.78 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 37 S 7.98 4.22 0.00 4.01 4.03 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 0.00 0.00 0.00 0.00 38 Q 7.71 4.08 0.00 1.88 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 39 P 0.00 4.31 0.00 1.60 1.98 0.00 2.96 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 40 A 8.42 3.88 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 41 F 8.24 4.08 0.00 2.97 3.25 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 0.00 0.00 0.00 0.00 42 I 6.28 3.12 1.34 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.34 0.16 0.00 0.00 43 N 7.54 4.30 0.00 2.71 2.76 0.00 0.00 7.02 8.91 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 44 D 7.76 4.34 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.62 3.86 1.84 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 1.00 0.00 0.00 46 L 7.44 4.00 0.00 1.70 1.72 1.00 1.10 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 47 K 7.66 4.21 0.00 1.87 1.84 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.58 7.81 48 V 7.48 3.63 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 0.93 0.00 0.00 1.01 0.00 0.00 49 E 8.73 4.09 0.00 1.93 1.86 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 2.27 2.34 0.00 50 G 8.95 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 51 V 7.58 4.03 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 0.81 0.00 0.00 1.03 0.00 0.00 52 K 9.64 4.42 0.00 1.61 1.97 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.44 7.81 53 S 7.71 4.93 0.00 3.96 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 54 I 8.85 5.20 2.13 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.11 1.11 0.00 0.00 55 F 9.72 5.23 0.00 3.06 3.06 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 0.00 0.00 0.00 0.00 56 H 8.75 5.18 0.00 3.28 3.08 0.00 5.69 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 57 V 7.60 3.83 1.28 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 0.01 0.00 0.00 0.78 0.00 0.00 *59 D 8.18 4.83 0.00 2.81 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 60 F 7.65 5.47 0.00 3.22 3.18 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 0.00 61 I 9.00 5.10 2.05 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 0.96 0.00 0.00 62 S 9.90 5.18 0.00 4.20 4.06 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 0.00 0.00 0.00 0.00 63 V 8.57 4.78 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 1.28 0.00 0.00 1.15 0.00 0.00 64 D 9.16 5.79 0.00 2.71 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 65 K 8.99 4.82 0.00 1.04 0.74 0.00 0.75 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.13 1.02 7.81 66 E 8.84 4.12 0.00 1.75 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 2.37 2.34 0.00 67 N 8.90 4.41 0.00 2.65 2.84 0.00 0.00 7.05 8.47 0.00 0.00 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 D 7.93 4.46 0.00 2.65 2.67 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 69 A 7.46 4.44 1.08 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 70 N 7.97 5.00 0.00 3.12 2.88 0.00 0.00 5.94 8.88 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 71 W 8.65 4.39 0.00 3.45 3.25 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 0.00 0.00 0.00 0.00 72 E 8.45 4.02 0.00 1.97 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 2.37 2.51 0.00 73 T 7.65 4.34 4.25 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 0.00 0.00 0.00 1.31 0.00 0.00 74 V 7.60 3.82 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 1.05 0.00 0.00 0.83 0.00 0.00 75 L 8.49 4.19 0.00 2.25 1.82 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.30 0.00 2.35 2.35 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 77 K 8.02 4.08 0.00 1.92 1.94 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.64 7.81 78 V 8.07 3.81 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 1.22 0.00 0.00 1.18 0.00 0.00 79 E 8.77 4.32 0.00 2.15 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 2.43 2.52 0.00 80 A 8.15 4.10 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 81 V 7.24 3.45 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 0.56 0.00 0.00 0.91 0.00 0.00 82 F 7.68 4.21 0.00 3.15 3.06 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 0.00 0.00 0.00 0.00 83 E 7.93 4.23 0.00 2.16 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 2.26 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.