NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4404 8.3344 115.4126 58.6191 64.3696 172.6943 2 T 4.0425 7.8405 113.7865 60.7715 69.9152 171.1255 3 A 4.3298 9.2906 132.2529 51.4447 20.4520 176.9419 4 L 4.1847 8.2330 121.3676 54.3609 42.5549 176.9871 5 A 4.3019 8.1621 124.2477 50.9747 19.5680 177.3952 6 K 3.9898 8.4433 122.0817 55.8301 32.4354 175.4167 7 P 4.6249 0.0000 0.0000 61.3157 33.4005 174.4797 8 Q 4.2116 8.4254 119.4943 56.2314 29.2223 175.2758 9 M 4.6204 8.6668 123.4777 55.0216 34.4799 175.8828 10 R 4.5450 7.2886 116.6126 55.3436 32.2089 175.9346 11 G 3.9701 8.7158 108.1964 46.8892 0.0000 175.9272 12 L 3.9800 8.0412 122.2091 57.2731 41.4478 178.8670 13 L 3.9535 7.8459 119.5609 57.9395 42.1836 178.3915 14 A 3.9972 8.0069 120.2112 55.4208 18.2800 179.2692 15 R 3.9016 8.2641 116.8370 59.7373 30.1857 179.2079 16 R 4.0449 7.7604 118.0993 59.2682 30.1407 178.1026 17 L 3.9181 8.2439 120.4068 58.4259 41.9116 178.8610 18 R 4.0034 7.9928 116.6609 59.8174 30.4722 178.3575 19 F 4.5567 8.2249 119.8080 61.8137 39.4002 176.8142 20 H 3.5686 8.3537 115.6719 58.5979 28.6272 177.5031 21 I 3.7636 8.3923 120.8732 64.1770 37.5556 178.1612 22 V 3.8572 7.9185 118.6534 66.1379 31.4463 178.2212 23 G 3.6388 8.1112 104.6938 47.7205 0.0000 175.2292 24 A 3.9219 8.3379 123.3116 55.0740 18.4063 179.7708 25 F 4.0273 7.9419 117.0919 60.3952 38.9667 177.7025 26 M 4.1318 8.4180 118.4911 58.5936 31.8779 178.8637 27 V 3.6826 8.1156 118.5479 66.1263 31.4765 177.9605 28 S 4.2322 8.4107 114.0823 61.8157 62.5783 176.6018 29 L 4.2310 8.7999 122.8555 57.4243 41.3419 179.2385 30 G 3.7023 8.4974 105.9114 48.0817 0.0000 175.2861 31 F 4.0249 8.3056 120.0714 60.1914 39.0441 177.8977 32 A 4.1115 8.0536 120.3402 55.4798 18.2286 179.6868 33 T 3.9212 8.6524 108.4101 64.9012 68.7206 176.0435 34 F 4.2960 9.0974 123.9040 61.4269 39.3987 176.3756 35 Y 3.7846 8.2732 118.8830 60.8170 38.4950 177.4261 36 K 3.6037 8.1340 120.1859 59.9435 32.2535 178.6648 37 F 4.0415 8.2221 117.0728 60.5346 38.9560 177.6777 38 A 4.0503 8.1218 118.2782 53.7719 18.2300 177.5396 39 V 3.8490 6.9553 114.2441 63.4436 33.5942 176.8260 40 A 3.7858 7.2036 121.4768 54.8878 18.1946 178.7513 41 E 3.7586 8.6527 116.5448 59.2023 29.6994 179.2587 42 K 3.8044 7.9633 118.7656 59.8093 32.3075 178.3831 43 R 3.9517 8.0077 118.6510 59.3059 29.5952 178.0778 44 K 3.8754 8.2763 119.6203 59.4589 32.0467 178.6593 45 K 4.0036 8.0190 119.0870 59.5027 32.1595 178.3840 46 A 4.0377 8.2888 121.4149 55.8956 18.1293 179.2605 47 Y 3.8308 8.2709 114.3293 60.7301 37.7710 178.2204 48 A 4.1437 7.6218 119.8560 55.2755 18.8816 179.0982 49 D 4.4915 8.6379 117.8488 57.7720 40.9658 178.2826 50 F 3.9020 8.0163 120.7576 61.9549 39.1045 176.1301 51 Y 4.4192 8.0387 113.6426 59.1097 37.7511 177.6684 52 R 4.2228 7.8737 121.1889 58.4719 30.3644 176.6772 53 N 5.0241 7.5256 114.3717 52.8402 39.2993 173.5821 54 Y 4.0751 8.0234 119.5657 57.0067 39.7540 173.3805 55 D 4.6090 7.6007 126.1149 51.7872 42.8268 176.0233 56 S 3.8674 7.9861 124.4620 60.8254 62.9611 175.9872 57 M 4.0732 7.9664 121.1550 58.2236 32.0240 177.8688 58 K 3.9006 8.0996 119.2704 59.5420 32.4120 177.9481 59 D 4.3125 8.1215 118.3257 57.2715 41.0929 177.9616 60 F 4.3343 8.7472 121.4126 61.4033 39.4394 176.6673 61 E 3.6834 8.7408 118.4249 59.6221 29.1132 179.1104 62 E 3.9222 8.0132 116.9079 59.9586 29.7306 179.2807 63 M 4.0159 7.9896 118.4378 58.0811 32.0397 178.7188 64 R 3.8936 8.1532 119.2513 59.5240 30.0026 178.8311 65 K 3.9770 8.1677 116.9025 59.0201 32.0878 178.4570 66 A 4.2327 7.4430 118.7869 52.1120 18.5270 177.9983 67 G 3.8378 7.7123 105.3283 45.9149 0.0000 175.2188 68 I 3.7288 7.4638 115.1912 63.1353 37.9362 176.7519 69 F 4.7842 7.4432 118.1997 57.1552 39.4553 175.0366 70 Q 4.6334 8.8321 119.3333 56.1092 29.5359 176.1712 71 S 4.4802 8.1558 111.7787 58.6211 64.2146 174.1013 72 A 4.4236 7.8522 123.8401 51.3941 20.1094 175.9813 73 K 4.2600 8.6632 120.4847 57.4052 32.3624 177.1014 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 1 S 8.33 4.44 0.00 3.99 3.94 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 0.00 0.00 0.00 2 T 7.84 4.04 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 3 A 9.29 4.33 1.24 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 0.00 0.00 0.00 4 L 8.23 4.18 0.00 1.65 1.61 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.16 4.30 1.23 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 0.00 0.00 0.00 6 K 8.44 3.99 0.00 1.73 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.62 0.00 2.22 2.07 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 8 Q 8.43 4.21 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 9 M 8.67 4.62 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 10 R 7.29 4.54 0.00 1.83 1.83 0.00 3.29 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 11 G 8.72 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 0.00 0.00 0.00 12 L 8.04 3.98 0.00 1.71 1.76 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.85 3.95 0.00 1.77 1.66 0.93 1.18 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 14 A 8.01 4.00 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 15 R 8.26 3.90 0.00 2.20 2.07 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 16 R 7.76 4.04 0.00 1.89 2.15 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 17 L 8.24 3.92 0.00 1.81 1.83 0.93 1.16 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 18 R 7.99 4.00 0.00 2.03 2.08 0.00 3.26 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 1.72 1.89 0.00 19 F 8.22 4.56 0.00 3.03 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 20 H 8.35 3.57 0.00 3.09 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.39 3.76 2.12 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 1.58 1.56 1.13 0.00 0.00 22 V 7.92 3.86 2.40 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 1.13 0.00 0.00 1.00 0.00 0.00 23 G 8.11 3.64 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 0.00 0.00 0.00 24 A 8.34 3.92 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 25 F 7.94 4.03 0.00 3.29 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 26 M 8.42 4.13 0.00 2.16 2.20 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 2.69 2.68 0.00 27 V 8.12 3.68 2.26 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 1.29 0.00 0.00 1.06 0.00 0.00 28 S 8.41 4.23 0.00 4.05 4.04 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 29 L 8.80 4.23 0.00 2.00 1.87 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.50 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 0.00 0.00 0.00 31 F 8.31 4.02 0.00 3.37 3.24 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 0.00 32 A 8.05 4.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.65 3.92 4.64 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 1.43 0.00 0.00 34 F 9.10 4.30 0.00 3.10 3.41 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 35 Y 8.27 3.78 0.00 3.30 3.21 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 36 K 8.13 3.60 0.00 1.86 1.14 0.00 0.80 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.12 1.29 7.81 37 F 8.22 4.04 0.00 3.07 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 38 A 8.12 4.05 0.48 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 39 V 6.96 3.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.58 0.00 0.00 40 A 7.20 3.79 1.16 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 0.00 0.00 41 E 8.65 3.76 0.00 2.02 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 0.00 2.47 2.44 0.00 42 K 7.96 3.80 0.00 1.79 1.90 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.48 7.81 43 R 8.01 3.95 0.00 1.96 2.19 0.00 3.12 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 44 K 8.28 3.88 0.00 2.15 1.83 0.00 1.53 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.51 7.81 45 K 8.02 4.00 0.00 1.94 2.01 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 46 A 8.29 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 3.83 0.00 3.21 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 48 A 7.62 4.14 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 49 D 8.64 4.49 0.00 2.70 2.76 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 50 F 8.02 3.90 0.00 3.00 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 51 Y 8.04 4.42 0.00 3.12 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 52 R 7.87 4.22 0.00 2.16 2.06 0.00 3.22 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 53 N 7.53 5.02 0.00 2.79 2.72 0.00 0.00 7.01 7.34 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 54 Y 8.02 4.08 0.00 2.97 2.93 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 55 D 7.60 4.61 0.00 2.63 2.30 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 56 S 7.99 3.87 0.00 4.21 4.33 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 57 M 7.97 4.07 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.68 0.00 58 K 8.10 3.90 0.00 1.95 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 59 D 8.12 4.31 0.00 2.86 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 60 F 8.75 4.33 0.00 3.21 3.33 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 61 E 8.74 3.68 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 62 E 8.01 3.92 0.00 2.06 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 0.00 2.32 2.58 0.00 63 M 7.99 4.02 0.00 1.64 2.27 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.47 0.00 64 R 8.15 3.89 0.00 0.95 1.76 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 65 K 8.17 3.98 0.00 1.90 1.81 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 66 A 7.44 4.23 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 67 G 7.71 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 0.00 0.00 0.00 68 I 7.46 3.73 1.60 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.72 0.00 0.00 69 F 7.44 4.78 0.00 3.38 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 70 Q 8.83 4.63 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 71 S 8.16 4.48 0.00 3.98 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 72 A 7.85 4.42 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 4.26 0.00 1.79 1.75 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81