NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4944 8.3349 115.3037 57.9839 63.5487 173.4275 8 D 4.7396 8.5921 127.6833 52.6333 42.1707 174.3906 9 F 5.3043 8.2937 114.9576 55.3656 42.0765 173.3374 10 V 4.4753 9.0279 118.9011 61.0403 35.0299 174.0873 11 V 4.8817 8.6477 126.4187 61.2721 33.9124 174.3249 12 I 4.9749 9.1969 128.4049 59.4292 40.6259 174.0689 13 K 5.0325 9.2904 129.1181 54.3834 34.4344 175.0552 14 A 4.4757 8.8506 130.0617 51.9347 19.3822 177.4032 15 L 4.7812 8.8862 121.3961 54.3485 42.9274 175.6881 16 E 4.6902 7.7574 115.9989 54.7020 32.7085 174.2873 17 D 4.5339 8.4119 118.7745 55.3270 41.4257 176.6870 18 G 3.8517 8.3948 107.9334 46.2029 0.0000 174.0718 19 V 3.8785 7.5537 119.6731 62.8564 32.7911 174.4837 20 N 5.2990 9.1102 124.9567 51.4530 41.4226 173.5136 21 V 4.5466 8.6713 124.4839 61.3686 33.6200 174.2820 22 I 4.7147 8.8984 130.0627 59.4782 39.6739 174.9074 23 G 4.2087 9.2025 115.6445 45.0420 0.0000 172.5003 24 L 5.4803 8.8417 125.7876 53.1012 44.3791 176.1465 25 T 4.6121 8.5969 113.4524 61.5879 69.5607 174.2234 26 R 4.3217 7.8870 126.7364 54.8697 30.6616 177.0960 27 G 3.8614 8.5947 112.9259 44.6733 0.0000 171.5290 28 A 4.0853 8.3225 122.1592 54.5040 18.5612 177.8900 29 D 4.9087 7.8032 113.7244 53.0055 42.9263 175.9244 30 T 4.7525 8.3569 118.4210 61.9088 70.8067 173.4323 31 R 4.9256 8.7999 122.7249 53.9726 33.7032 174.2157 32 F 5.0825 8.8189 115.6317 57.1470 38.2909 174.9349 33 H 4.7630 8.9598 117.8552 56.6261 30.1607 174.5048 34 H 4.9747 7.9946 117.7015 55.0214 33.3740 171.9535 35 S 4.9625 8.5019 119.1976 56.4800 64.7724 172.2983 36 E 4.5198 9.1044 129.4190 54.5065 31.0850 174.5135 37 K 4.7401 8.6265 128.7377 55.7410 33.7730 175.5196 38 L 4.9821 8.9053 127.0970 53.1113 44.7839 176.0896 39 D 4.9988 9.1653 123.5135 52.7178 42.9532 175.9420 40 K 4.0044 8.8404 121.9820 58.4691 32.3617 177.2993 41 G 4.0194 9.1182 114.9166 45.4555 0.0000 173.6036 42 E 4.3151 8.0307 119.3696 56.2617 30.8944 176.0295 43 V 4.9966 8.2258 120.8156 61.0676 34.8378 174.2842 44 L 4.7510 9.0926 129.1583 53.2837 45.0417 174.9221 45 I 5.0117 8.5737 126.6482 59.7642 38.8677 174.5848 46 A 4.7729 9.0637 129.5804 50.0650 21.8482 175.1587 47 Q 4.8452 8.5618 120.3249 54.7552 30.5719 175.8079 48 F 4.7318 8.4327 120.5915 58.1168 39.7657 174.9035 49 T 4.6716 8.8363 110.4396 60.5964 71.7223 174.2947 50 E 3.9740 8.8696 120.1931 59.2418 29.5787 177.9565 51 H 4.6552 8.4207 114.3407 55.8832 30.3831 174.0107 52 T 5.4579 8.1460 115.6817 60.8518 71.3780 174.3485 53 S 4.9395 8.9683 119.8679 57.9813 64.8837 173.2475 54 A 5.1125 7.8711 121.1955 51.2729 22.5573 175.3139 55 I 5.0044 8.5455 120.6895 59.4496 40.8665 174.6054 56 K 4.5965 9.0806 128.4878 54.5114 34.6870 174.7365 57 V 4.7970 8.3885 126.5142 61.0878 33.7860 174.2097 58 R 4.4651 8.8118 128.9831 55.2781 32.1223 175.0901 59 G 4.2642 9.1198 113.1528 43.5367 0.0000 173.0273 60 K 4.1362 9.8646 122.6502 56.5780 33.2431 175.6568 61 A 5.1404 9.0481 128.1064 50.7802 23.4912 173.8050 62 Y 4.9017 9.1117 122.3375 56.2121 40.7083 174.4711 63 I 4.9648 8.3093 127.7029 59.5028 40.6609 174.4195 64 Q 5.0298 8.8494 125.8070 54.2981 31.8463 174.8879 65 T 4.8298 8.6288 112.9216 59.4018 72.4210 174.4945 66 R 3.7793 8.5642 120.6730 59.5803 30.0313 176.6016 67 H 4.6100 8.7606 113.3864 55.8363 29.6093 174.8232 68 G 3.8757 6.5626 106.1957 43.9380 0.0000 171.8369 69 V 4.6439 8.3710 120.2798 61.0373 34.3741 175.8766 70 I 4.6872 8.5008 127.8656 59.3838 40.7043 173.8952 71 E 4.8508 9.0383 128.2640 54.0361 32.2325 175.2562 72 S 4.2261 8.4389 123.0733 60.5452 63.2454 174.4314 73 E 3.9817 9.2966 122.9280 56.9488 27.6733 174.3533 74 G 3.9324 7.8576 111.3381 44.6479 0.0000 174.1830 75 K 4.3162 9.7148 124.3941 56.1230 33.4270 176.1199 76 K 5.0063 8.5873 122.3122 54.6438 35.3069 175.5977 77 A 4.7231 9.0130 126.4700 49.9054 22.5310 175.1928 78 A 4.5529 8.9048 124.2484 51.7883 19.5558 177.4063 79 A 4.0271 8.2214 122.7197 53.1594 20.3342 176.5177 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 7 S 8.33 4.49 0.00 3.91 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 8 D 8.59 4.74 0.00 2.99 2.74 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 9 F 8.29 5.30 0.00 2.98 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 10 V 9.03 4.48 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 1.03 0.00 0.00 0.75 0.00 0.00 11 V 8.65 4.88 2.15 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 1.03 0.00 0.00 1.16 0.00 0.00 12 I 9.20 4.97 1.88 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 1.10 0.67 0.92 0.00 0.00 13 K 9.29 5.03 0.00 1.87 1.83 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.85 4.48 1.34 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 15 L 8.89 4.78 0.00 1.61 1.69 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.76 4.69 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 17 D 8.41 4.53 0.00 2.69 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 18 G 8.39 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.88 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 1.02 0.00 0.00 1.01 0.00 0.00 20 N 9.11 5.30 0.00 2.64 2.56 0.00 0.00 6.28 8.33 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 21 V 8.67 4.55 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 1.02 0.00 0.00 0.92 0.00 0.00 22 I 8.90 4.71 1.85 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.70 0.00 0.00 23 G 9.20 4.21 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 0.00 24 L 8.84 5.48 0.00 1.69 1.66 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.60 4.61 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 1.32 0.00 0.00 26 R 7.89 4.32 0.00 1.90 2.00 0.00 3.32 0.00 0.00 3.07 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.59 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 28 A 8.32 4.09 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 29 D 7.80 4.91 0.00 2.67 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 30 T 8.36 4.75 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 1.26 0.00 0.00 31 R 8.80 4.93 0.00 1.76 1.95 0.00 2.67 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 1.50 1.55 0.00 32 F 8.82 5.08 0.00 3.09 3.08 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 33 H 8.96 4.76 0.00 3.17 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.99 4.97 0.00 3.36 3.15 0.00 5.80 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 35 S 8.50 4.96 0.00 3.49 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.10 4.52 0.00 2.21 1.82 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 2.25 2.29 0.00 37 K 8.63 4.74 0.00 1.78 1.67 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.57 7.81 38 L 8.91 4.98 0.00 1.57 1.52 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.17 5.00 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.84 4.00 0.00 1.82 1.74 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.56 7.81 41 G 9.12 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.03 4.32 0.00 2.04 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 2.33 2.37 0.00 43 V 8.23 5.00 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 0.82 0.00 0.00 0.96 0.00 0.00 44 L 9.09 4.75 0.00 1.75 1.46 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.57 5.01 1.81 0.00 0.00 0.85 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 0.69 0.85 0.00 0.00 46 A 9.06 4.77 1.13 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.56 4.85 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 48 F 8.43 4.73 0.00 3.04 2.98 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 49 T 8.84 4.67 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 1.32 0.00 0.00 50 E 8.87 3.97 0.00 1.92 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 2.36 0.00 51 H 8.42 4.66 0.00 3.22 3.23 0.00 5.75 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 52 T 8.15 5.46 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 1.38 0.00 0.00 53 S 8.97 4.94 0.00 3.83 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 54 A 7.87 5.11 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 55 I 8.55 5.00 1.86 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.86 0.00 0.00 56 K 9.08 4.60 0.00 1.81 1.60 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 57 V 8.39 4.80 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 0.82 0.00 0.00 0.91 0.00 0.00 58 R 8.81 4.47 0.00 1.84 1.68 0.00 3.06 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 59 G 9.12 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 60 K 9.86 4.14 0.00 1.88 1.72 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 9.05 5.14 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 62 Y 9.11 4.90 0.00 3.09 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 63 I 8.31 4.96 1.83 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 1.18 0.65 0.87 0.00 0.00 64 Q 8.85 5.03 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 65 T 8.63 4.83 4.11 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 1.15 0.00 0.00 66 R 8.56 3.78 0.00 1.61 1.80 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 67 H 8.76 4.61 0.00 3.21 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.56 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 69 V 8.37 4.64 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 0.75 0.00 0.00 0.91 0.00 0.00 70 I 8.50 4.69 1.77 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 0.56 0.87 0.00 0.00 71 E 9.04 4.85 0.00 2.14 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 2.30 2.54 0.00 72 S 8.44 4.23 0.00 3.96 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 73 E 9.30 3.98 0.00 2.14 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 0.00 2.21 2.30 0.00 74 G 7.86 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 75 K 9.71 4.32 0.00 1.92 1.78 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.61 7.81 76 K 8.59 5.01 0.00 1.57 1.67 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.40 7.81 77 A 9.01 4.72 1.19 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 0.00 0.00 78 A 8.90 4.55 1.22 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 0.00 0.00 79 A 8.22 4.03 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