NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1291 8.3101 121.7901 56.0568 33.9515 176.0508 20 A 4.1536 7.7989 122.8941 50.4024 20.0564 174.0692 21 K 3.8501 8.9871 121.5318 57.7951 33.6142 177.1383 22 V 3.5576 8.5187 122.0604 65.4049 31.6621 177.4186 23 K 4.0751 7.3491 120.4487 59.6952 32.4554 177.6887 24 A 4.1803 7.9483 120.8952 54.7560 18.5628 178.5147 25 T 4.2966 7.4411 111.7716 63.2992 68.1632 174.3999 26 L 4.5509 7.5297 119.6885 53.7401 46.8597 176.1219 27 G 4.2545 8.2982 119.1514 45.4432 0.0000 174.3156 28 E 4.2681 8.7589 124.8571 56.4152 30.1201 175.8790 29 F 4.7827 8.0701 114.5771 56.2967 40.3171 173.7825 30 D 4.5427 8.6143 122.8885 52.8512 40.3293 175.1517 31 L 5.1287 7.4718 128.8419 52.6447 39.2481 175.3076 32 R 4.3317 7.3739 125.9828 57.6163 35.0875 173.7088 33 D 4.4502 7.8996 118.3148 53.8435 39.7867 175.6922 34 Y 4.7758 7.9762 125.9285 57.2326 37.8582 177.0414 35 R 4.5449 7.9612 119.3101 56.7256 32.7236 176.3949 36 N 4.6087 7.8338 115.9523 52.3288 35.2493 175.6942 37 V 3.8708 7.9582 114.8905 62.9701 31.6554 176.6403 38 E 4.2498 7.9973 119.7307 57.6960 30.7102 177.7187 39 V 3.4372 7.3930 118.8338 65.1367 31.5228 177.2061 40 L 3.7869 7.8154 118.9584 58.3590 41.5013 179.6247 41 K 4.4027 7.8406 118.3551 59.6452 32.1401 177.4772 42 R 4.0969 7.5971 116.0412 57.3151 30.2118 176.4250 43 F 5.1311 9.2594 116.2383 58.2911 40.0706 176.0839 44 L 5.7419 7.6439 122.2253 56.8061 41.9888 178.7170 45 S 3.3768 7.8837 114.5564 58.6061 65.6062 173.0358 46 E 4.5012 8.3229 121.2991 56.2914 32.9774 176.5520 47 T 4.6085 7.3947 111.8425 63.2803 69.3255 175.5277 48 G 4.0236 8.3371 110.2933 45.4764 0.0000 173.4209 49 K 4.5849 7.7602 118.1579 54.4853 34.8013 175.8855 50 I 4.3198 8.1216 122.9105 61.0462 37.5249 176.3602 51 L 4.3650 8.5684 127.8949 53.8943 42.6179 175.4614 52 P 4.5836 0.0000 0.0000 61.9375 32.8266 177.4717 53 R 4.3134 8.2333 116.0592 58.6611 30.0405 179.0177 54 R 4.1402 7.9746 114.1458 57.5628 29.4944 176.3876 55 R 4.4894 7.2164 115.5108 56.6383 32.9479 177.1892 56 T 3.7379 8.7718 110.5593 63.2575 68.8934 175.9962 57 G 3.9203 7.8340 107.9346 45.7883 0.0000 173.4999 58 L 4.2560 7.2352 119.2976 54.1608 42.6563 176.7241 59 S 4.6363 8.1034 114.7332 57.6812 66.1424 173.5534 60 A 3.9125 8.5489 121.6748 55.9237 17.7371 179.5691 61 K 3.7638 7.8238 115.5566 59.3282 32.5953 178.9084 62 E 3.9399 8.0517 118.8492 59.6553 29.4351 178.9704 63 Q 3.8752 7.9927 119.2251 59.4568 29.1002 178.6502 64 R 3.8971 7.4888 118.3045 59.6300 30.2060 178.8869 65 I 3.7182 7.5248 119.3190 64.3427 37.0302 178.2149 66 L 3.9857 8.0280 120.7272 58.2543 42.1104 178.5609 67 A 3.9348 8.0455 120.6947 55.3728 18.2949 179.6381 68 K 3.9202 8.0295 117.5901 59.8242 32.2920 179.2109 69 T 3.9605 8.0266 110.1424 64.8981 68.6048 176.3439 70 I 3.7205 8.6453 123.3324 64.2375 36.7384 178.5627 71 K 3.9830 8.0386 118.6596 59.1590 31.7622 179.7872 72 R 3.9013 7.8565 118.2933 59.0875 30.0787 178.4638 73 A 4.0756 8.2819 120.9170 55.5307 17.8159 179.7927 74 R 4.0887 7.8786 117.6054 58.9080 29.7608 179.4261 75 I 4.0129 7.1162 117.4100 64.2795 37.2189 178.2294 76 L 4.2126 7.8707 118.9478 56.0445 41.5259 178.1537 77 G 4.1197 7.4840 104.8233 45.1018 0.0000 174.5955 78 L 4.1343 7.8479 120.2083 56.6114 42.1896 177.3604 79 L 4.7705 7.4414 117.0812 51.8062 44.4584 174.0744 80 P 4.6814 0.0000 0.0000 62.6654 32.3192 176.3615 81 F 4.2552 8.7060 118.4712 60.1385 39.5916 175.9211 82 T 4.9931 7.6121 111.7950 61.1979 70.5145 172.7909 83 E 4.7840 10.0197 124.0063 54.6433 33.3422 174.3938 84 K 4.1118 8.9024 121.6461 57.0066 32.7690 175.9332 85 L 4.1248 8.5693 126.7414 54.5743 42.7127 175.8190 86 V 4.0917 8.2215 125.7277 62.1647 32.8997 173.0074 87 R 3.6677 8.4352 130.4075 56.3122 27.3250 175.6502 88 K 4.1386 8.2495 122.7391 56.0888 32.2280 176.4355 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 19 K 8.31 4.13 0.00 1.72 1.91 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.80 4.15 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 21 K 8.99 3.85 0.00 1.83 1.82 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.43 7.81 22 V 8.52 3.56 2.57 0.00 0.00 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 0.00 0.00 1.08 0.00 0.00 23 K 7.35 4.08 0.00 1.73 1.87 0.00 1.95 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.58 7.81 24 A 7.95 4.18 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 25 T 7.44 4.30 4.37 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 1.17 0.00 0.00 26 L 7.53 4.55 0.00 1.74 1.43 0.21 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.30 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 28 E 8.76 4.27 0.00 2.01 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 0.00 2.34 2.32 0.00 29 F 8.07 4.78 0.00 3.00 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 30 D 8.61 4.54 0.00 2.77 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 31 L 7.47 5.13 0.00 2.07 2.02 0.80 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.37 4.33 0.00 1.72 2.22 0.00 3.33 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 33 D 7.90 4.45 0.00 2.95 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 34 Y 7.98 4.78 0.00 3.14 3.09 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 35 R 7.96 4.54 0.00 1.69 1.84 0.00 3.09 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.00 36 N 7.83 4.61 0.00 2.89 2.95 0.00 0.00 6.30 7.68 0.00 0.00 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 V 7.96 3.87 2.05 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 0.75 0.00 0.00 0.90 0.00 0.00 38 E 8.00 4.25 0.00 1.98 2.00 0.00 0.00 0.00 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 2.31 0.00 39 V 7.39 3.44 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.81 0.00 0.00 40 L 7.82 3.79 0.00 1.68 1.74 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.84 4.40 0.00 1.97 1.73 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.56 7.81 42 R 7.60 4.10 0.00 1.66 1.51 0.00 3.11 0.00 0.00 3.12 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 43 F 9.26 5.13 0.00 3.24 2.88 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 44 L 7.64 5.74 0.00 1.81 1.64 0.99 0.93 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 45 S 7.88 3.38 0.00 4.07 3.69 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 0.00 0.00 0.00 0.00 46 E 8.32 4.50 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 47 T 7.39 4.61 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 1.22 0.00 0.00 48 G 8.34 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 49 K 7.76 4.58 0.00 1.78 1.75 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 50 I 8.12 4.32 1.88 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 1.37 0.76 0.91 0.00 0.00 51 L 8.57 4.36 0.00 1.69 1.60 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.58 0.00 2.20 2.18 0.00 3.69 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 2.06 1.98 0.00 53 R 8.23 4.31 0.00 1.87 1.99 0.00 3.48 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 54 R 7.97 4.14 0.00 1.79 1.98 0.00 3.14 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 55 R 7.22 4.49 0.00 2.01 1.78 0.00 3.33 0.00 0.00 3.23 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 56 T 8.77 3.74 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 0.89 0.00 0.00 57 G 7.83 3.92 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 0.00 0.00 0.00 58 L 7.24 4.26 0.00 1.56 1.58 0.41 0.92 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 59 S 8.10 4.64 0.00 4.02 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 60 A 8.55 3.91 1.31 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 0.00 0.00 61 K 7.82 3.76 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 8.05 3.94 0.00 2.14 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 2.29 2.30 0.00 63 Q 7.99 3.88 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 64 R 7.49 3.90 0.00 2.14 1.97 0.00 3.19 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 65 I 7.52 3.72 1.88 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 1.41 1.08 0.97 0.00 0.00 66 L 8.03 3.99 0.00 1.81 1.80 1.31 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.05 3.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 3.92 0.00 1.89 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 69 T 8.03 3.96 4.39 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 1.39 0.00 0.00 70 I 8.65 3.72 1.91 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 1.61 0.84 0.91 0.00 0.00 71 K 8.04 3.98 0.00 2.03 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.82 7.81 72 R 7.86 3.90 0.00 2.08 1.83 0.00 3.12 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 73 A 8.28 4.08 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 74 R 7.88 4.09 0.00 1.69 0.66 0.00 2.97 0.00 0.00 2.86 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 0.00 75 I 7.12 4.01 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.80 0.96 0.00 0.00 76 L 7.87 4.21 0.00 1.85 1.79 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.48 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 78 L 7.85 4.13 0.00 1.67 1.73 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.44 4.77 0.00 1.55 1.43 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.68 0.00 2.18 2.04 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 81 F 8.71 4.26 0.00 3.09 3.15 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 0.00 0.00 0.00 0.00 82 T 7.61 4.99 4.32 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 1.28 0.00 0.00 83 E 10.02 4.78 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 84 K 8.90 4.11 0.00 1.66 1.85 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.44 7.81 85 L 8.57 4.12 0.00 1.59 1.58 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.22 4.09 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 0.84 0.00 0.00 1.00 0.00 0.00 87 R 8.44 3.67 0.00 1.98 1.97 0.00 3.28 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 88 K 8.25 4.14 0.00 1.75 1.66 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.37 7.81