NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1192 8.3101 121.7881 55.8479 33.9539 175.8589 20 A 4.1092 7.7569 120.1695 51.2650 19.7283 174.1033 21 K 4.0597 8.8033 120.0902 56.9901 33.8071 176.9161 22 V 3.4431 8.5856 123.2977 65.7643 31.6484 177.7319 23 K 3.9275 7.9133 119.5774 59.0636 31.9936 176.8004 24 A 4.5369 8.0610 119.7267 52.2648 18.8018 177.3285 25 T 4.4212 7.8381 112.7483 63.7062 69.5423 174.2170 26 L 4.8055 7.4109 120.3496 52.4461 46.0423 177.8262 27 G 4.0646 7.8076 116.9970 45.7154 0.0000 175.2771 28 E 4.3598 8.6219 126.3820 54.9596 30.1543 175.5119 29 F 4.9678 9.2483 118.1263 55.0069 41.1254 174.5348 30 D 4.6729 8.5591 123.0032 52.8577 39.9333 177.4429 31 L 4.3452 7.8740 131.3979 55.4904 39.9219 178.0125 32 R 4.4341 8.2058 118.3118 56.7200 31.8837 174.6911 33 D 4.5276 7.3450 116.8307 54.1102 39.5430 175.9612 34 Y 4.6529 8.3129 125.0035 57.0212 37.7979 177.4473 35 R 4.2868 8.0951 120.8566 57.6127 33.5234 176.3654 36 N 4.6190 8.3001 117.0352 55.9716 35.7588 176.9127 37 V 2.9712 6.0718 111.2440 63.2011 33.4326 177.9685 38 E 3.9593 8.0242 121.4951 58.4866 30.2817 177.5522 39 V 4.3470 7.8861 116.0041 64.3362 33.4637 177.0935 40 L 4.0608 7.5702 115.0530 57.9575 41.4773 179.4676 41 K 3.9106 9.6936 117.6078 58.6723 32.0413 176.7561 42 R 4.4216 8.4987 118.3889 56.4740 29.9932 176.1717 43 F 4.8355 8.7842 113.6821 57.1456 41.2518 175.3044 44 L 5.6867 8.0342 123.3408 56.9258 41.2706 177.8309 45 S 3.7987 6.5673 116.5263 58.2367 67.3096 172.8464 46 E 4.5271 8.8093 116.8875 58.2306 31.3377 177.1478 47 T 4.3854 7.2281 113.9776 64.5708 68.6426 175.7323 48 G 4.1970 7.8842 107.7970 44.5794 0.0000 174.2031 49 K 4.2034 8.0446 119.3107 56.5294 33.6162 176.0556 50 I 4.4087 8.2091 123.5424 60.6284 37.4886 176.1536 51 L 4.2979 8.6348 127.8896 54.1519 42.3577 175.7813 52 P 4.5986 0.0000 0.0000 61.8536 32.4886 177.5900 53 R 4.0017 8.6376 118.7821 58.9005 30.1276 179.2551 54 R 3.8965 8.1218 115.3896 58.7069 29.7767 176.7102 55 R 4.4578 8.7384 116.0672 57.7954 32.3661 178.1956 56 T 3.8035 8.0244 107.5418 63.3986 68.5719 175.8274 57 G 3.9604 8.3681 107.4636 45.3503 0.0000 173.2437 58 L 4.5025 7.7538 119.4142 54.6699 42.9009 176.3966 59 S 4.6938 8.2566 114.1403 57.7042 64.3379 173.2730 60 A 4.0852 7.9251 118.8638 54.1710 17.9741 179.3062 61 K 3.7111 7.9824 115.3849 59.4460 32.3656 178.8089 62 E 3.8755 8.0026 118.1189 59.5106 29.3452 179.1069 63 Q 3.9526 8.0751 119.2802 59.3420 29.1810 178.3019 64 R 3.9519 7.8653 119.1327 59.5832 29.7567 179.0584 65 I 3.8321 7.6910 111.6947 62.9516 37.5161 177.9578 66 L 3.7468 7.4773 122.7084 57.9596 41.7967 178.0822 67 A 3.9167 8.1659 119.9242 55.9479 18.4625 178.9398 68 K 3.9158 8.3327 118.2533 58.9643 32.1312 179.1858 69 T 3.8785 7.8519 108.0390 65.1030 69.1896 175.7681 70 I 3.8402 7.9006 123.8929 63.5827 37.2307 178.5782 71 K 4.1534 8.7498 119.8646 59.1824 31.7000 179.3713 72 R 3.8719 8.3298 117.5730 59.2543 30.3248 178.3515 73 A 4.2293 8.2486 119.7401 55.7532 18.3430 179.4680 74 R 4.1659 7.6046 116.9463 59.5150 29.9352 179.0147 75 I 3.9339 7.4836 117.6441 64.3956 37.2449 177.8154 76 L 4.3588 8.0165 117.2508 54.6655 41.0582 178.8506 77 G 3.9434 8.1920 107.3415 45.8958 0.0000 174.8927 78 L 4.2707 7.4703 118.4130 55.7417 42.3203 176.6101 79 L 4.5959 7.0971 117.8202 52.5013 45.6788 173.2322 80 P 4.5867 0.0000 0.0000 62.5405 32.3028 176.2465 81 F 4.8003 8.2480 117.7141 59.7208 39.7479 176.0650 82 T 4.7313 7.4576 111.1225 61.6697 69.7637 172.0605 83 E 4.8542 9.0602 124.1672 54.6156 33.3233 174.7678 84 K 4.3200 8.6124 120.8849 56.1612 32.9698 176.8275 85 L 4.1405 8.4637 124.6115 54.9860 42.8150 176.3626 86 V 4.1698 7.8027 123.1030 61.7604 34.0133 171.8089 87 R 3.7197 8.7920 133.0070 55.8917 28.5280 175.6723 88 K 4.1631 8.4234 124.8860 56.4285 32.4691 175.6143 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 4.12 0.00 1.71 1.89 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.76 4.11 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 21 K 8.80 4.06 0.00 1.80 1.82 0.00 2.00 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.39 7.81 22 V 8.59 3.44 1.93 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 0.35 0.00 0.00 0.78 0.00 0.00 23 K 7.91 3.93 0.00 2.16 1.93 0.00 2.04 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.67 7.81 24 A 8.06 4.54 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 25 T 7.84 4.42 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 1.15 0.00 0.00 26 L 7.41 4.81 0.00 0.98 1.23 1.11 0.85 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 27 G 7.81 4.06 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 0.00 0.00 0.00 28 E 8.62 4.36 0.00 1.98 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 2.28 2.26 0.00 29 F 9.25 4.97 0.00 3.05 2.94 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 30 D 8.56 4.67 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.35 0.00 1.49 1.22 0.70 0.35 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 32 R 8.21 4.43 0.00 1.65 2.07 0.00 3.29 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 33 D 7.35 4.53 0.00 2.80 2.61 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 34 Y 8.31 4.65 0.00 3.17 3.03 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 35 R 8.10 4.29 0.00 1.62 1.76 0.00 2.99 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 36 N 8.30 4.62 0.00 2.96 2.97 0.00 0.00 6.32 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 6.07 2.97 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 0.91 0.00 0.00 0.93 0.00 0.00 38 E 8.02 3.96 0.00 1.95 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 0.00 2.34 2.35 0.00 39 V 7.89 4.35 2.20 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 1.41 0.00 0.00 1.10 0.00 0.00 40 L 7.57 4.06 0.00 1.93 1.73 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.69 3.91 0.00 1.83 1.94 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.54 7.81 42 R 8.50 4.42 0.00 1.76 1.80 0.00 3.13 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 43 F 8.78 4.84 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 5.69 0.00 1.81 1.66 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 S 6.57 3.80 0.00 4.08 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 46 E 8.81 4.53 0.00 1.94 1.98 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 2.20 2.23 0.00 47 T 7.23 4.39 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 1.25 0.00 0.00 48 G 7.88 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 0.00 0.00 0.00 0.00 49 K 8.04 4.20 0.00 1.76 1.78 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.51 7.81 50 I 8.21 4.41 1.90 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 1.38 0.77 0.93 0.00 0.00 51 L 8.63 4.30 0.00 1.70 1.66 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.60 0.00 2.20 1.98 0.00 3.66 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 2.13 2.12 0.00 53 R 8.64 4.00 0.00 1.89 2.04 0.00 3.44 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 54 R 8.12 3.90 0.00 1.81 2.03 0.00 3.18 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 55 R 8.74 4.46 0.00 1.94 1.92 0.00 3.32 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 56 T 8.02 3.80 4.57 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 0.00 0.00 0.00 1.55 0.00 0.00 57 G 8.37 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 L 7.75 4.50 0.00 1.68 1.72 1.20 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.26 4.69 0.00 4.05 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 7.93 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 61 K 7.98 3.71 0.00 1.82 1.84 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.55 7.81 62 E 8.00 3.88 0.00 2.19 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 2.32 2.32 0.00 63 Q 8.08 3.95 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 64 R 7.87 3.95 0.00 2.05 1.96 0.00 3.16 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 65 I 7.69 3.83 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.78 0.88 0.00 0.00 66 L 7.48 3.75 0.00 1.48 1.74 0.28 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.17 3.92 1.35 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 0.00 0.00 0.00 68 K 8.33 3.92 0.00 1.87 1.69 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.46 7.81 69 T 7.85 3.88 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 1.35 0.00 0.00 70 I 7.90 3.84 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 0.93 0.00 0.00 71 K 8.75 4.15 0.00 1.99 1.91 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.66 7.81 72 R 8.33 3.87 0.00 1.99 1.98 0.00 3.06 0.00 0.00 2.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 73 A 8.25 4.23 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 74 R 7.60 4.17 0.00 2.11 1.43 0.00 3.43 0.00 0.00 3.78 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 75 I 7.48 3.93 2.09 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 1.71 0.81 0.96 0.00 0.00 76 L 8.02 4.36 0.00 1.90 1.70 0.97 0.91 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 77 G 8.19 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 78 L 7.47 4.27 0.00 1.65 1.71 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.10 4.60 0.00 1.68 1.42 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.59 0.00 2.18 2.01 0.00 3.72 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 1.98 2.09 0.00 81 F 8.25 4.80 0.00 3.13 2.99 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 0.00 0.00 0.00 82 T 7.46 4.73 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 1.31 0.00 0.00 83 E 9.06 4.85 0.00 1.99 1.98 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 2.41 2.37 0.00 84 K 8.61 4.32 0.00 1.67 1.80 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.39 7.81 85 L 8.46 4.14 0.00 1.59 1.57 0.93 0.86 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 86 V 7.80 4.17 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 0.87 0.00 0.00 0.94 0.00 0.00 87 R 8.79 3.72 0.00 1.98 1.97 0.00 3.23 0.00 0.00 3.15 7.27 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 8.42 4.16 0.00 1.71 1.61 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81