NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.3295 8.3044 120.3425 54.8716 32.9844 174.7049 21 K 3.6981 8.5547 128.5573 54.7496 32.6108 174.7198 22 T 4.3489 8.8249 115.1981 60.9677 70.9605 172.5906 23 E 5.0143 6.9004 120.1905 54.9492 34.1491 175.2235 24 W 5.1359 9.3789 120.0119 53.4114 29.6780 174.8100 25 P 4.3521 0.0000 0.0000 65.4336 31.7370 179.1654 26 E 4.1571 8.2886 116.3919 58.3131 29.8454 178.0494 27 L 4.3928 8.1317 119.3926 55.4878 42.2909 176.8928 28 V 3.8581 7.3958 119.4895 64.2478 31.6719 176.2668 29 G 3.9665 9.1970 116.2756 45.2859 0.0000 173.6227 30 K 4.3687 7.7788 119.7826 55.0703 33.4735 176.4736 31 S 4.7605 8.4925 116.7096 57.7693 64.9468 175.6151 32 V 3.6241 8.3138 124.0076 65.0207 30.9893 178.6768 33 E 3.8895 8.0452 118.7244 59.2601 29.3646 178.7312 34 E 3.8887 8.2952 119.1015 59.0753 29.6069 178.5079 35 A 3.8827 8.0090 120.8420 55.1344 18.3914 179.7391 36 K 3.7226 8.0589 116.8551 59.3321 32.1738 179.3760 37 K 3.8217 7.9105 119.8144 59.5374 32.2363 178.9915 38 V 3.5591 7.8432 118.4242 66.0475 31.4102 177.9666 39 I 3.0812 7.5999 119.7695 64.2600 36.7308 178.4864 40 L 4.1409 7.9422 119.3121 57.4023 41.1061 179.5920 41 Q 4.0247 7.5894 117.4515 58.9476 28.7333 177.8129 42 D 4.7724 7.9649 118.5194 55.7650 42.5686 177.0313 43 K 4.6855 8.3015 120.2174 54.0281 32.4893 174.5005 44 P 4.4943 0.0000 0.0000 63.8573 31.8452 177.2056 45 A 4.4145 7.8499 118.8746 51.6101 19.1136 176.7824 46 A 4.2145 7.8130 119.4425 52.9085 19.3331 178.1467 47 Q 4.3007 9.3895 121.9066 54.8237 29.7927 174.6307 48 I 5.1379 8.0397 125.2027 59.0124 38.8747 175.2881 49 I 4.4285 8.1169 126.4638 59.0478 41.0921 173.7401 50 V 4.6516 8.2814 128.8504 61.4403 32.7934 174.7252 51 L 4.8891 8.6151 126.8321 52.0783 46.6672 174.1420 52 P 4.9744 0.0000 0.0000 62.2061 32.4864 176.6948 53 V 3.9054 8.7400 124.5479 63.2331 31.7958 176.3524 54 G 3.8098 8.7544 109.8800 46.3261 0.0000 173.3304 55 T 4.5059 7.2750 107.8754 60.0098 70.6502 173.8847 56 I 4.4554 7.9878 122.4386 59.9430 38.8274 175.7893 57 V 4.5776 7.9598 115.6211 58.9082 35.4210 175.4579 58 A 4.1913 8.5230 124.2978 53.1500 18.7456 177.6809 59 M 4.6596 8.3528 120.0028 55.0782 32.7706 176.4460 60 E 4.4265 8.0668 115.5731 55.5332 31.4169 174.6918 61 Y 4.7499 8.4687 121.1294 55.9618 40.3527 175.1957 62 R 4.3993 8.3273 126.9984 54.0169 31.9244 176.3281 63 I 3.4765 8.3192 124.4946 63.4578 38.2669 176.2751 64 D 4.5514 7.9343 118.0544 53.8513 40.2675 175.3737 65 R 4.8942 7.6328 121.5663 54.9281 32.7261 175.2654 66 V 4.7022 8.3981 124.3265 61.1416 34.3052 174.6043 67 R 4.4628 8.6652 127.4629 55.7978 31.2321 176.1670 68 L 4.5784 8.6901 123.6091 53.0609 44.3294 175.4682 69 F 5.0885 8.8143 123.6213 56.3593 40.5749 175.5486 70 V 5.0282 8.7853 117.9855 59.4780 34.9749 176.0566 71 D 4.8165 8.7510 123.6158 52.3177 40.7959 177.1259 72 R 4.1352 8.3832 114.2664 58.0299 29.5636 177.0640 73 L 4.2653 8.0011 117.8037 54.8249 42.2595 176.4605 74 D 4.5877 8.1923 118.3360 55.3104 38.7678 173.2463 75 N 5.3183 7.9972 115.1682 51.2335 40.8822 174.6567 76 I 3.9019 8.8076 122.7442 61.7024 37.4950 176.7088 77 A 4.7111 8.9104 126.9546 51.8804 20.1225 175.7604 78 Q 4.5149 7.7189 115.4250 53.7329 32.2037 174.0387 79 V 3.7762 8.4594 123.9516 62.8187 32.0699 173.8995 80 P 4.7878 0.0000 0.0000 62.8832 32.3524 175.6394 81 R 5.4440 8.5263 118.8763 54.5304 32.7865 174.8113 82 V 3.9821 8.7290 120.8528 62.9090 32.6648 176.3576 83 G 2.9222 8.4033 114.4374 45.0589 0.0000 173.1236 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 20 M 8.30 4.33 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 21 K 8.55 3.70 0.00 1.68 1.45 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.40 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.50 1.09 7.81 22 T 8.82 4.35 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 1.24 0.00 0.00 23 E 6.90 5.01 0.00 1.76 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 24 W 9.38 5.14 0.00 3.37 2.98 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 25 P 0.00 4.35 0.00 2.24 2.34 0.00 3.77 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 2.09 1.96 0.00 26 E 8.29 4.16 0.00 2.19 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 2.48 2.37 0.00 27 L 8.13 4.39 0.00 1.98 1.77 0.79 0.62 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 28 V 7.40 3.86 2.12 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 0.82 0.00 0.00 1.04 0.00 0.00 29 G 9.20 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 30 K 7.78 4.37 0.00 1.93 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.53 7.81 31 S 8.49 4.76 0.00 4.22 3.99 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 32 V 8.31 3.62 2.14 0.00 0.00 0.00 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 0.88 0.00 0.00 33 E 8.05 3.89 0.00 2.05 2.01 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 2.38 2.40 0.00 34 E 8.30 3.89 0.00 2.03 1.92 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 2.29 2.31 0.00 35 A 8.01 3.88 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 36 K 8.06 3.72 0.00 1.89 1.78 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.53 7.81 37 K 7.91 3.82 0.00 1.80 1.90 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 38 V 7.84 3.56 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 1.04 0.00 0.00 0.96 0.00 0.00 39 I 7.60 3.08 1.51 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.33 0.00 0.00 40 L 7.94 4.14 0.00 1.63 1.67 0.89 0.67 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 41 Q 7.59 4.02 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 42 D 7.96 4.77 0.00 3.22 3.02 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 43 K 8.30 4.69 0.00 1.95 1.82 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.49 7.81 44 P 0.00 4.49 0.00 2.08 2.10 0.00 3.79 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 45 A 7.85 4.41 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 46 A 7.81 4.21 1.25 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 47 Q 9.39 4.30 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 48 I 8.04 5.14 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.55 0.79 0.00 0.00 49 I 8.12 4.43 1.79 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 1.12 1.42 0.77 0.00 0.00 50 V 8.28 4.65 2.01 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 0.79 0.00 0.00 0.84 0.00 0.00 51 L 8.62 4.89 0.00 1.10 1.44 0.71 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.97 0.00 2.13 2.00 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 53 V 8.74 3.91 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 0.75 0.00 0.00 0.92 0.00 0.00 54 G 8.75 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.28 4.51 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 1.33 0.00 0.00 56 I 7.99 4.46 1.89 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 1.42 0.61 0.93 0.00 0.00 57 V 7.96 4.58 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 0.94 0.00 0.00 1.08 0.00 0.00 58 A 8.52 4.19 1.33 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 0.00 0.00 59 M 8.35 4.66 0.00 2.05 2.12 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 2.55 2.48 0.00 60 E 8.07 4.43 0.00 2.12 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 2.27 2.25 0.00 61 Y 8.47 4.75 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 4.40 0.00 1.68 1.87 0.00 3.33 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 63 I 8.32 3.48 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.90 0.00 0.00 64 D 7.93 4.55 0.00 2.84 2.87 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 0.00 0.00 0.00 0.00 65 R 7.63 4.89 0.00 1.87 1.88 0.00 2.98 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 66 V 8.40 4.70 1.92 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 0.83 0.00 0.00 0.91 0.00 0.00 67 R 8.67 4.46 0.00 1.70 1.27 0.00 3.32 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 68 L 8.69 4.58 0.00 1.39 1.48 0.80 0.83 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 69 F 8.81 5.09 0.00 2.99 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 70 V 8.79 5.03 2.09 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 0.73 0.00 0.00 1.04 0.00 0.00 71 D 8.75 4.82 0.00 2.91 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 72 R 8.38 4.14 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 73 L 8.00 4.27 0.00 1.83 1.75 0.93 1.09 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 74 D 8.19 4.59 0.00 2.99 2.82 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 75 N 8.00 5.32 0.00 3.03 2.79 0.00 0.00 7.02 7.32 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 76 I 8.81 3.90 2.07 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 1.42 0.95 0.98 0.00 0.00 77 A 8.91 4.71 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 78 Q 7.72 4.51 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 79 V 8.46 3.78 2.15 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 0.95 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.79 0.00 2.33 1.98 0.00 4.00 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 81 R 8.53 5.44 0.00 1.97 1.97 0.00 3.19 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 82 V 8.73 3.98 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 0.74 0.00 0.00 1.17 0.00 0.00 83 G 8.40 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 0.00 0.00 0.00