NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4056 0.0000 0.0000 61.5981 32.8083 176.0425 2 K 3.7618 8.7387 120.7285 56.5255 32.4300 175.3571 3 I 3.8899 9.2643 126.1209 61.2915 38.4963 175.9762 4 K 4.3007 8.5265 124.7152 56.3647 32.8452 176.3318 5 T 4.4459 8.1010 115.7939 60.8483 68.8217 176.2489 6 V 3.8743 8.0207 126.3950 62.4649 30.2752 176.5302 7 R 4.0853 8.6362 125.1201 59.0159 29.9365 178.5992 8 G 3.5968 8.0962 104.6085 47.7591 0.0000 175.2367 9 A 4.1780 7.8485 123.1937 55.2425 18.1196 179.3712 10 A 4.3133 7.6098 115.9643 53.8788 18.6142 178.2293 11 K 4.4780 7.9489 116.1097 56.3137 32.2299 177.4740 12 R 4.4208 7.9623 116.6224 55.2291 32.4135 175.0427 13 F 5.2736 8.0192 114.1565 54.7118 42.7903 175.1899 14 K 4.5582 9.2801 122.2921 55.1131 34.6774 175.5727 15 K 3.3257 8.9522 129.3769 57.6448 32.6751 176.0138 16 T 4.4540 8.0983 117.9128 59.9528 71.5436 175.1085 17 G 3.5946 8.1827 109.7649 48.4993 0.0000 174.7307 18 K 4.4090 7.9275 117.0341 55.8780 32.4116 176.0918 19 G 3.6428 8.0134 105.8861 46.7802 0.0000 174.8400 20 G 4.1913 7.5417 110.9531 44.0184 0.0000 174.2135 21 F 4.5190 8.3937 113.9768 56.6891 41.7256 171.6227 22 K 4.8186 8.7767 126.4963 55.8608 33.7697 174.1427 23 H 4.8241 7.9196 116.7002 53.8773 31.7641 171.8772 24 K 4.4163 8.0665 119.8603 55.4392 33.0887 175.7537 25 H 4.4132 8.3554 120.4322 55.4214 29.3893 175.5315 26 A 4.2261 8.2635 125.5893 52.9630 19.0831 177.6077 27 N 4.6527 9.0340 115.9371 53.1163 36.1954 174.8999 28 L 4.7574 7.4737 119.4358 55.0080 42.3891 176.1214 29 R 4.5573 8.9005 114.6471 54.9609 31.7375 173.7547 30 H 4.6155 8.9602 120.2486 57.6966 32.0716 174.6569 31 I 3.1648 6.8627 119.9119 62.3561 35.4677 173.1687 32 L 4.4787 7.3081 125.8554 55.6669 43.7288 178.9112 33 T 3.7869 8.1045 112.6094 64.8059 67.0873 174.5278 34 K 4.2329 7.8489 117.5851 57.5554 33.4433 176.8975 35 K 4.2910 7.8075 119.6251 55.2779 33.2579 177.1302 36 A 4.1665 8.2634 123.5992 52.1628 20.2359 178.9376 37 T 3.7915 8.5190 120.1716 67.1955 68.5944 176.1227 38 K 3.6752 8.3008 120.2637 59.4768 31.7308 178.1469 39 R 3.8452 7.7874 119.3148 59.7596 30.4732 178.3880 40 K 4.1224 8.0874 118.0076 59.4314 32.1325 179.4506 41 R 3.8624 8.2724 119.4498 59.5593 29.7728 177.9675 42 H 4.5685 8.0047 114.5442 57.6490 28.8583 176.8003 43 L 4.1995 7.8419 120.0763 56.2150 41.7665 178.7862 44 R 4.0705 7.3637 116.9447 57.7903 30.3683 175.4674 45 P 4.3992 0.0000 0.0000 62.7754 31.8536 176.6803 46 K 4.4439 8.2144 118.0088 57.4053 33.8429 175.7748 47 A 4.4558 7.8319 118.3575 52.0113 22.8399 176.4311 48 M 4.7249 8.7472 120.0760 54.9164 33.1680 176.6171 49 V 4.1575 8.4534 121.5369 60.8766 33.0422 176.8383 50 S 4.5425 8.3512 117.8105 57.4714 64.2227 175.5041 51 K 4.0681 8.5343 120.6218 59.6975 31.5402 179.8299 52 G 3.8161 8.0647 104.1148 47.4793 0.0000 174.4614 53 D 4.5937 7.5443 116.8883 54.9234 41.2353 178.3310 54 L 3.9447 7.5532 122.1972 57.9525 41.8000 178.7723 55 G 3.6073 7.9715 104.1124 48.0460 0.0000 174.7467 56 L 3.9631 7.8574 121.4589 57.4988 41.7063 179.5190 57 V 3.0209 7.6895 117.5983 66.3096 31.1536 178.3867 58 I 3.6712 7.5757 118.7081 63.8822 36.6787 178.0455 59 A 4.0315 7.5664 120.1721 54.4097 18.6738 178.6449 60 C 4.3604 7.7882 114.6451 60.3370 29.8201 173.1273 61 L 5.0069 7.2126 120.4784 52.3554 41.4139 175.3421 62 P 4.3341 0.0000 0.0000 64.5083 32.1019 177.6165 63 Y 4.6087 7.7945 114.5661 57.5830 38.8153 175.3191 64 A 4.2951 7.8238 128.5563 52.5155 18.5024 177.7928 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 P 0.00 4.41 0.00 2.08 2.06 0.00 3.69 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 1.93 2.12 0.00 2 K 8.74 3.76 0.00 1.85 1.87 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.55 7.81 3 I 9.26 3.89 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.49 0.93 0.00 0.00 4 K 8.53 4.30 0.00 1.78 1.77 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.45 7.81 5 T 8.10 4.45 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 1.28 0.00 0.00 6 V 8.02 3.87 2.18 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 1.02 0.00 0.00 0.96 0.00 0.00 7 R 8.64 4.09 0.00 1.87 2.02 0.00 3.37 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 8 G 8.10 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 0.00 0.00 0.00 9 A 7.85 4.18 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.61 4.31 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 11 K 7.95 4.48 0.00 1.74 1.84 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.66 7.81 12 R 7.96 4.42 0.00 1.35 1.39 0.00 3.06 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 13 F 8.02 5.27 0.00 2.91 3.13 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 14 K 9.28 4.56 0.00 1.83 1.74 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.58 7.81 15 K 8.95 3.33 0.00 1.55 1.59 0.00 0.92 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.20 7.81 16 T 8.10 4.45 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 1.23 0.00 0.00 17 G 8.18 3.59 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 0.00 0.00 0.00 18 K 7.93 4.41 0.00 1.71 1.79 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 19 G 8.01 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 20 G 7.54 4.19 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 0.00 21 F 8.39 4.52 0.00 3.22 3.27 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 22 K 8.78 4.82 0.00 2.12 2.07 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.40 7.81 23 H 7.92 4.82 0.00 2.98 3.19 0.00 5.64 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 24 K 8.07 4.42 0.00 1.67 1.68 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.42 7.81 25 H 8.36 4.41 0.00 3.37 3.20 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.26 4.23 1.26 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 27 N 9.03 4.65 0.00 2.87 3.19 0.00 0.00 6.69 7.85 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 28 L 7.47 4.76 0.00 1.56 1.61 0.92 0.85 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 29 R 8.90 4.56 0.00 1.76 1.86 0.00 3.44 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 30 H 8.96 4.62 0.00 3.24 3.23 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 6.86 3.16 1.76 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 1.39 0.70 0.85 0.00 0.00 32 L 7.31 4.48 0.00 1.72 1.66 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.10 3.79 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 34 K 7.85 4.23 0.00 1.89 1.90 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.45 7.81 35 K 7.81 4.29 0.00 1.86 1.77 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.37 7.81 36 A 8.26 4.17 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 37 T 8.52 3.79 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 1.19 0.00 0.00 38 K 8.30 3.68 0.00 1.79 1.74 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 39 R 7.79 3.85 0.00 1.84 2.16 0.00 3.29 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 1.62 1.77 0.00 40 K 8.09 4.12 0.00 2.01 1.83 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 41 R 8.27 3.86 0.00 1.86 2.04 0.00 3.05 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 42 H 8.00 4.57 0.00 3.30 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.84 4.20 0.00 1.84 1.72 0.92 1.15 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 44 R 7.36 4.07 0.00 2.00 2.00 0.00 3.18 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 45 P 0.00 4.40 0.00 2.20 2.09 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 46 K 8.21 4.44 0.00 1.64 1.92 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.38 7.81 47 A 7.83 4.46 0.98 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 0.00 0.00 48 M 8.75 4.72 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 49 V 8.45 4.16 2.29 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 1.06 0.00 0.00 0.93 0.00 0.00 50 S 8.35 4.54 0.00 4.10 4.10 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 51 K 8.53 4.07 0.00 1.87 1.91 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.58 7.81 52 G 8.06 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 0.00 0.00 0.00 53 D 7.54 4.59 0.00 2.64 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 54 L 7.55 3.94 0.00 1.95 1.67 1.08 1.05 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 55 G 7.97 3.61 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 0.00 0.00 0.00 56 L 7.86 3.96 0.00 1.65 1.62 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.69 3.02 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 -0.62 0.00 0.00 -0.21 0.00 0.00 58 I 7.58 3.67 1.82 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.94 0.00 0.00 59 A 7.57 4.03 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 60 C 7.79 4.36 0.00 3.01 2.92 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 61 L 7.21 5.01 0.00 1.60 1.64 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.33 0.00 1.75 2.04 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 63 Y 7.79 4.61 0.00 3.01 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 64 A 7.82 4.30 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00