NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3010 8.2644 123.5828 54.1309 20.0046 175.8523 3 R 4.6076 7.7698 111.0019 54.4818 30.9664 172.4718 4 R 4.2650 7.9419 119.1221 56.2637 32.0186 175.3527 5 T 4.2240 7.7509 103.9491 60.5884 72.3412 172.2362 6 W 4.4483 8.5691 128.3123 61.8524 30.5270 178.9855 7 L 4.0486 7.9588 118.0720 57.5948 41.1549 179.4196 8 G 4.0167 7.4573 103.4483 47.4799 0.0000 174.3154 9 D 4.7581 7.8280 119.8727 56.3446 41.8828 178.6969 10 I 3.8399 7.5128 118.3537 63.4324 37.0423 176.7229 11 L 4.7014 8.1035 117.7982 54.0769 42.8533 178.0617 12 R 3.9116 8.2067 122.0124 58.7940 30.1074 176.5055 13 P 4.2857 0.0000 0.0000 65.5110 31.5616 178.0083 14 L 3.8712 7.2892 117.1805 56.8812 41.7662 178.3820 15 N 4.5313 7.5894 114.7527 54.7679 39.0372 175.6696 16 S 4.1251 7.8890 113.0220 62.0592 63.4807 175.5538 17 E 4.3480 7.8054 120.1311 54.7000 27.3110 175.2900 18 Y 3.9819 7.9160 119.6484 62.5438 39.0691 177.3282 19 G 3.3665 8.3561 112.8532 46.6063 0.0000 172.4974 20 K 3.7407 7.4174 121.5570 56.6645 31.9631 175.9623 21 V 4.3869 8.0335 124.8065 59.3193 34.0285 175.4200 22 A 4.1337 8.5246 127.0597 51.2606 18.9507 175.1487 23 P 4.4140 0.0000 0.0000 63.6361 32.9084 176.2611 24 G 4.2077 8.5582 111.7870 46.1527 0.0000 175.4967 25 W 4.5665 9.1134 123.1046 56.0069 31.8057 179.9704 26 G 3.9424 8.5177 103.2187 46.6025 0.0000 175.3687 27 T 4.0088 9.4423 124.1350 67.1816 68.5191 177.3282 28 T 3.5446 7.7264 116.6693 64.6804 68.2760 173.5269 29 P 4.6876 0.0000 0.0000 65.9517 31.1955 178.2286 30 L 4.1524 8.0791 117.7428 57.2445 41.7130 178.3447 31 M 4.1634 9.2285 119.2555 59.0403 32.4430 177.6546 32 A 3.6356 8.1014 120.3523 55.3721 18.3517 179.8399 33 V 3.6172 8.0707 111.1003 64.4198 31.4118 178.7036 34 F 4.0289 7.6709 115.6928 60.9400 39.0689 176.4361 35 M 3.9486 9.5247 117.5524 59.5340 31.2410 178.0570 36 G 3.7222 8.4390 105.0373 48.0676 0.0000 174.8190 37 L 4.0908 7.6497 121.1345 57.7122 41.8395 178.8372 38 F 4.7070 9.1798 121.2649 62.3156 39.5239 176.8878 39 L 3.5023 8.0949 116.0945 57.8358 41.4860 179.2793 40 V 3.5680 8.0103 117.8657 66.2734 31.4819 178.4145 41 F 4.3033 9.3426 121.2174 61.3435 38.5269 176.6910 42 L 3.4720 7.5396 117.8808 57.5814 41.3501 178.8434 43 L 4.0475 7.8110 119.7838 58.7394 41.8774 179.4598 44 I 3.2609 7.9170 119.5086 64.1148 36.8477 178.6599 45 I 3.5791 7.5249 120.8720 64.0220 36.7647 177.6794 46 L 3.9573 9.0094 121.2859 58.6664 41.3896 179.1375 47 E 3.7952 9.0659 118.9064 59.0093 29.0391 179.5265 48 I 4.2914 7.1176 121.1443 63.6749 37.0611 177.3759 49 Y 4.3875 8.3686 120.7796 60.9429 38.5295 177.3122 50 N 4.1287 8.8836 117.7675 55.3565 38.8589 175.4754 51 S 4.5831 7.6032 112.7911 58.7759 61.3037 169.7240 52 T 4.1554 7.6727 118.2186 64.4460 68.9376 174.6062 53 L 4.5739 9.1541 124.7419 53.1761 43.3242 175.2573 54 I 4.4652 7.9849 126.0129 59.9896 39.7440 174.2420 55 L 4.4488 7.9056 120.7024 54.5992 45.8584 174.1137 56 D 4.8382 8.4331 118.5580 53.8765 42.7903 177.2094 57 G 3.9613 8.8378 108.5942 46.4567 0.0000 174.8332 58 V 4.2798 7.3136 114.9722 61.0782 31.2936 175.0392 59 N 4.6784 7.6929 118.1198 51.3663 39.9588 174.2729 60 V 3.5994 8.2638 120.3056 62.1923 31.2789 175.6962 61 S 4.5071 7.9175 117.8398 56.8598 65.3259 174.9839 62 W 3.9093 8.7341 120.5314 59.3552 28.9158 177.4411 63 K 4.1499 7.6838 119.1462 56.0387 31.9926 175.9438 64 A 5.0405 7.8608 132.8686 52.6632 21.1446 176.0157 65 L 4.2696 8.1954 127.3045 56.7312 42.2181 175.9272 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 A 8.26 4.30 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 3 R 7.77 4.61 0.00 1.84 1.83 0.00 3.26 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.69 0.00 4 R 7.94 4.26 0.00 2.24 1.99 0.00 3.30 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 5 T 7.75 4.22 4.35 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 0.00 0.00 0.00 1.26 0.00 0.00 6 W 8.57 4.45 0.00 3.42 3.05 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 7 L 7.96 4.05 0.00 1.68 1.61 0.76 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.46 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 9 D 7.83 4.76 0.00 2.80 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 10 I 7.51 3.84 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.93 0.92 0.00 0.00 11 L 8.10 4.70 0.00 1.61 1.60 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.21 3.91 0.00 2.06 1.95 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 13 P 0.00 4.29 0.00 2.26 2.27 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 14 L 7.29 3.87 0.00 1.69 1.81 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.59 4.53 0.00 2.80 2.82 0.00 0.00 7.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.89 4.13 0.00 4.01 4.13 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 17 E 7.81 4.35 0.00 2.12 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 2.31 2.26 0.00 18 Y 7.92 3.98 0.00 2.92 2.75 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 19 G 8.36 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.42 3.74 0.00 1.85 1.83 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.42 7.81 21 V 8.03 4.39 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 0.80 0.00 0.00 0.92 0.00 0.00 22 A 8.52 4.13 1.27 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 0.00 0.00 0.00 23 P 0.00 4.41 0.00 2.08 2.03 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 24 G 8.56 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 25 W 9.11 4.57 0.00 3.34 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 26 G 8.52 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 0.00 0.00 0.00 27 T 9.44 4.01 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 28 T 7.73 3.54 4.41 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 1.13 0.00 0.00 29 P 0.00 4.69 0.00 2.22 2.22 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 30 L 8.08 4.15 0.00 1.85 1.89 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 31 M 9.23 4.16 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 32 A 8.10 3.64 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.62 1.91 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 1.01 0.00 0.00 0.76 0.00 0.00 34 F 7.67 4.03 0.00 3.22 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 35 M 9.52 3.95 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 36 G 8.44 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 0.00 0.00 0.00 37 L 7.65 4.09 0.00 1.83 1.86 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.18 4.71 0.00 3.16 3.31 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 0.00 39 L 8.09 3.50 0.00 1.89 1.63 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.01 3.57 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 1.09 0.00 0.00 1.00 0.00 0.00 41 F 9.34 4.30 0.00 3.05 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 42 L 7.54 3.47 0.00 1.57 1.48 0.65 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.81 4.05 0.00 1.66 1.76 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.92 3.26 2.14 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 1.72 1.03 0.89 0.00 0.00 45 I 7.52 3.58 1.67 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.10 0.68 0.00 0.00 46 L 9.01 3.96 0.00 1.77 1.76 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.07 3.80 0.00 2.07 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 0.00 2.31 2.32 0.00 48 I 7.12 4.29 1.94 0.00 0.00 0.81 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 1.62 0.87 0.00 0.00 49 Y 8.37 4.39 0.00 3.00 2.97 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 50 N 8.88 4.13 0.00 2.57 2.87 0.00 0.00 7.68 7.51 0.00 0.00 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 S 7.60 4.58 0.00 4.01 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 0.00 52 T 7.67 4.16 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 53 L 9.15 4.57 0.00 1.65 1.62 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.98 4.47 1.87 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 1.41 1.03 0.91 0.00 0.00 55 L 7.91 4.45 0.00 1.57 1.55 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.43 4.84 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.31 4.28 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 0.76 0.00 0.00 0.95 0.00 0.00 59 N 7.69 4.68 0.00 2.69 2.70 0.00 0.00 7.33 7.71 0.00 0.00 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 V 8.26 3.60 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 0.73 0.00 0.00 0.96 0.00 0.00 61 S 7.92 4.51 0.00 3.99 3.82 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 0.00 0.00 0.00 62 W 8.73 3.91 0.00 3.36 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 63 K 7.68 4.15 0.00 1.77 1.75 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.43 7.81 64 A 7.86 5.04 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 65 L 8.20 4.27 0.00 1.60 1.55 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00