NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 957 E 4.2794 8.4401 120.2250 55.7282 31.6463 175.3093 958 A 4.5358 7.7166 119.8477 49.2481 21.5518 171.8531 959 E 4.2574 9.0208 124.7106 55.5102 32.0682 175.1961 960 A 3.7800 8.5227 128.5370 51.7259 18.0154 176.3766 961 K 4.5160 7.6236 114.3213 56.1156 35.1194 175.0267 962 S 4.3108 7.9847 111.6483 57.7328 64.8077 175.9209 963 C 4.6355 8.2160 125.2456 56.1733 40.9311 173.6419 964 K 4.5392 8.4178 121.1891 55.7257 32.3001 177.3448 965 T 4.1853 8.9501 116.1622 61.3152 69.0237 171.9436 966 P 4.4606 0.0000 0.0000 61.6323 32.0171 174.4771 967 P 4.3165 0.0000 0.0000 62.2003 31.8505 175.7260 968 D 4.2591 8.6141 121.3034 53.0061 39.3136 174.8463 969 P 4.5996 0.0000 0.0000 61.4017 32.5757 175.4781 970 V 3.6960 8.1540 118.4654 62.8247 31.8656 175.4028 971 N 4.1398 9.1223 119.7885 53.7163 36.1607 173.4704 972 G 4.3017 7.5983 106.0732 44.5345 0.0000 171.1906 973 M 4.7602 7.8702 115.6268 54.0876 35.0491 173.9927 974 V 4.4087 7.7949 117.1719 60.1720 34.8078 174.5381 975 H 4.8624 8.3345 118.4994 54.0317 32.9559 172.7751 976 V 4.1504 8.2728 121.7728 61.7840 31.5697 175.7827 977 I 3.9336 8.5947 129.7237 64.3080 36.8061 176.3332 978 T 4.4965 7.3104 113.0762 63.9898 71.3364 174.6916 979 D 4.8781 7.6716 120.3478 53.5939 45.3081 174.9260 980 I 4.6426 8.1833 117.8502 61.6510 38.6546 176.0639 981 Q 4.5801 7.6920 118.4287 54.5233 29.4420 175.3717 982 V 3.7798 7.2554 117.3756 63.7869 31.8520 176.0010 983 G 3.9946 8.9334 114.7321 45.0029 0.0000 173.2757 984 S 4.7180 7.6869 116.4858 57.3552 64.8095 173.2390 985 R 5.1275 8.7092 124.5963 54.7614 31.9025 175.1648 986 I 4.3772 8.1771 119.6365 60.2623 40.1518 174.4131 987 T 4.9651 7.8940 117.3869 62.2039 72.3001 173.3377 988 Y 4.6418 8.1584 123.2094 56.6577 42.2149 173.5682 989 S 4.9333 8.2234 119.9412 57.8209 67.0595 170.8170 990 C 5.1430 8.2585 121.2458 54.4049 43.8972 172.1436 991 T 4.0025 7.9679 110.0177 61.7851 68.2337 174.1617 992 T 3.8828 8.1602 117.4610 67.1723 68.9717 175.7733 993 G 4.0527 7.7428 107.6028 46.7195 0.0000 172.4813 994 H 5.3264 7.9045 116.8011 53.9830 32.6312 174.1631 995 R 4.2811 8.8911 124.9994 55.1884 31.6687 175.2324 996 L 4.3417 8.5010 127.9093 55.1229 42.3285 177.4777 997 I 4.1889 8.4438 130.6768 57.5657 34.5072 176.5348 998 G 4.1168 7.4552 122.5161 46.7660 0.0000 173.5515 999 H 4.5517 8.5785 123.7119 54.6625 29.7355 175.4837 1000 S 4.2739 8.1779 112.4999 57.8937 60.3516 171.0645 1001 S 4.7499 7.0957 110.9396 57.9367 66.0771 174.8319 1002 A 4.9678 8.4152 124.7738 50.3546 22.8557 174.9493 1003 E 4.6319 8.7224 119.0561 54.9613 33.0332 173.2336 1004 C 3.8334 8.8083 128.0683 56.8909 38.3316 172.0852 1005 I 4.5862 8.2272 119.7270 58.7902 40.8574 174.2487 1006 L 4.9198 8.3331 123.5445 52.6409 43.2658 176.8591 1007 S 4.6854 8.6833 120.4615 56.6365 63.3531 176.0753 1008 G 4.2465 7.5309 116.8286 47.1620 0.0000 173.1494 1009 N 4.7587 8.0997 119.1951 53.4348 44.2221 174.2214 1010 T 4.4020 7.6884 113.4183 61.6793 70.4716 173.3280 1011 A 4.2856 8.4280 129.4088 52.5866 19.5596 175.7647 1012 H 4.6154 8.4087 116.5027 53.9930 32.4284 172.6304 1013 W 5.0709 8.6237 118.4409 56.0928 30.4278 177.3114 1014 S 4.6943 8.3332 116.8536 59.1197 63.0547 174.1860 1015 T 4.1767 7.5869 110.9763 60.9058 69.5489 174.6230 1016 K 4.3199 8.1808 123.5947 54.2147 34.6051 173.2366 1017 P 4.1507 0.0000 0.0000 61.5735 30.6760 174.4679 1018 P 4.6217 0.0000 0.0000 62.6991 32.5577 175.4398 1019 I 4.7870 8.2953 120.3651 59.7766 41.7567 174.8242 1020 C 5.5364 8.7037 119.8229 55.3558 44.5358 173.5142 1021 Q 4.6637 8.5235 124.7079 53.6867 31.9295 174.2339 1022 R 4.7928 8.6161 126.5883 56.6514 30.0399 176.0491 1023 I 3.8656 8.5529 127.7170 63.9462 37.7412 174.5732 1024 P 4.3793 0.0000 0.0000 62.9338 31.1594 176.1275 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 957 E 8.44 4.28 0.00 1.97 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 2.21 2.31 0.00 958 A 7.72 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 959 E 9.02 4.26 0.00 1.93 1.84 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 2.22 2.28 0.00 960 A 8.52 3.78 1.33 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 0.00 961 K 7.62 4.52 0.00 1.80 1.82 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.31 7.81 962 S 7.98 4.31 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 963 C 8.22 4.64 0.00 1.77 2.12 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 0.00 964 K 8.42 4.54 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 965 T 8.95 4.19 4.30 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 1.36 0.00 0.00 966 P 0.00 4.46 0.00 2.31 2.03 0.00 3.59 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.56 0.00 967 P 0.00 4.32 0.00 2.10 2.07 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 968 D 8.61 4.26 0.00 2.72 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 0.00 969 P 0.00 4.60 0.00 2.30 2.43 0.00 3.54 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 970 V 8.15 3.70 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 0.71 0.00 0.00 0.92 0.00 0.00 971 N 9.12 4.14 0.00 2.80 2.74 0.00 0.00 6.66 7.54 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 0.00 972 G 7.60 4.30 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 0.00 973 M 7.87 4.76 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 974 V 7.79 4.41 1.60 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 0.64 0.00 0.00 0.89 0.00 0.00 975 H 8.33 4.86 0.00 2.92 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 976 V 8.27 4.15 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 0.84 0.00 0.00 0.94 0.00 0.00 977 I 8.59 3.93 2.03 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 1.42 1.00 0.93 0.00 0.00 978 T 7.31 4.50 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 1.24 0.00 0.00 979 D 7.67 4.88 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 980 I 8.18 4.64 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 1.29 0.00 0.00 981 Q 7.69 4.58 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.09 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 982 V 7.26 3.78 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 1.01 0.00 0.00 0.81 0.00 0.00 983 G 8.93 3.99 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 0.00 0.00 0.00 984 S 7.69 4.72 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 985 R 8.71 5.13 0.00 1.86 1.87 0.00 3.27 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.89 0.00 986 I 8.18 4.38 1.94 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.21 0.90 0.00 0.00 987 T 7.89 4.97 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 1.25 0.00 0.00 988 Y 8.16 4.64 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 989 S 8.22 4.93 0.00 3.93 3.60 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 0.00 990 C 8.26 5.14 0.00 2.94 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 0.00 991 T 7.97 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 1.20 0.00 0.00 992 T 8.16 3.88 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 1.21 0.00 0.00 993 G 7.74 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 0.00 0.00 0.00 994 H 7.90 5.33 0.00 3.08 3.21 0.00 5.85 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 995 R 8.89 4.28 0.00 1.90 1.79 0.00 3.09 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 996 L 8.50 4.34 0.00 1.76 1.65 1.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 997 I 8.44 4.19 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 1.46 0.94 0.92 0.00 0.00 998 G 7.46 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 0.00 999 H 8.58 4.55 0.00 3.24 3.39 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1000 S 8.18 4.27 0.00 4.05 3.98 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 0.00 0.00 0.00 1001 S 7.10 4.75 0.00 3.98 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1002 A 8.42 4.97 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 1003 E 8.72 4.63 0.00 2.16 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 2.21 2.32 0.00 1004 C 8.81 3.83 0.00 1.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1005 I 8.23 4.59 1.78 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 1.33 0.44 0.91 0.00 0.00 1006 L 8.33 4.92 0.00 1.48 1.58 0.87 0.74 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 1007 S 8.68 4.69 0.00 3.91 3.84 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 1008 G 7.53 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 0.00 0.00 0.00 0.00 1009 N 8.10 4.76 0.00 2.64 2.75 0.00 0.00 6.69 7.69 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 1010 T 7.69 4.40 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 1.20 0.00 0.00 1011 A 8.43 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1012 H 8.41 4.62 0.00 3.21 3.33 0.00 5.45 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1013 W 8.62 5.07 0.00 3.30 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 1014 S 8.33 4.69 0.00 3.66 3.95 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 1015 T 7.59 4.18 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 1.02 0.00 0.00 1016 K 8.18 4.32 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.39 7.81 1017 P 0.00 4.15 0.00 2.06 2.14 0.00 3.67 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 2.04 2.12 0.00 1018 P 0.00 4.62 0.00 2.22 2.06 0.00 3.73 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 2.13 2.19 0.00 1019 I 8.30 4.79 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 1.36 0.88 0.93 0.00 0.00 1020 C 8.70 5.54 0.00 2.84 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 1021 Q 8.52 4.66 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 1022 R 8.62 4.79 0.00 1.77 1.80 0.00 3.08 0.00 0.00 3.85 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 1023 I 8.55 3.87 1.85 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 1.34 0.63 0.90 0.00 0.00 1024 P 0.00 4.38 0.00 2.02 1.97 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00