NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4344 8.3349 115.4213 57.8648 64.9115 174.2716 3 D 4.2983 8.3737 123.6704 51.8072 43.0325 173.1064 4 K 2.9029 8.9127 126.4425 54.9218 32.9417 173.7555 5 P 4.4032 0.0000 0.0000 61.8666 31.8965 176.5952 6 K 3.9120 8.6896 122.3016 56.6052 32.5614 176.9147 7 R 3.1911 8.4398 121.2414 55.8694 30.4435 174.9064 8 P 4.4912 0.0000 0.0000 61.7698 32.5387 175.7214 9 L 4.1740 8.0195 118.8902 54.2338 42.4262 178.0297 10 S 4.4960 8.2995 117.2227 57.4685 65.4787 175.4057 11 A 4.2300 8.4289 122.8924 55.7045 18.1352 179.2195 12 Y 2.4254 7.7182 117.2330 59.9002 38.7238 177.8908 13 A 3.5027 7.7383 121.8823 54.9887 18.3019 179.6145 14 L 3.8739 7.5212 116.1455 57.5008 41.9993 179.3365 15 W 2.0000 7.5502 128.2329 59.5149 30.6598 177.4206 16 L 2.6474 7.2378 120.2146 57.9903 40.8411 178.5844 17 N 4.0186 7.5613 116.1392 56.5125 38.3764 177.5096 18 S 3.8859 7.2340 112.5151 60.0700 63.4012 174.4400 19 A 4.3503 6.3107 123.2330 51.2263 19.9525 177.7138 20 R 3.5985 7.6469 117.5964 59.6719 30.0307 178.3334 21 E 3.8702 8.0229 117.8217 59.4711 29.3280 179.3227 22 S 4.0383 7.8155 112.5158 61.5267 62.4011 176.1237 23 I 3.7024 7.3567 121.1172 64.2585 36.5278 178.3123 24 K 4.1230 8.2507 119.6288 59.1132 31.6813 179.3854 25 R 3.8986 8.0618 119.0057 59.4554 30.0495 177.4614 26 E 4.2400 8.2360 115.0208 58.0186 30.2835 176.8611 27 N 4.9877 7.5558 115.1377 50.0932 38.9943 171.2522 28 P 4.3911 0.0000 0.0000 64.1011 32.2013 177.0541 29 G 3.8463 8.9365 110.5398 45.7429 0.0000 173.0112 30 I 3.5946 7.5633 119.9831 60.7191 38.2841 176.1596 31 K 4.3084 8.4393 126.6000 56.0103 33.4972 177.9135 32 V 3.5709 8.4445 118.0797 66.5862 31.7148 178.1713 33 T 3.8212 7.9425 115.9881 66.5593 68.3360 176.3384 34 E 4.0366 8.1360 120.4400 58.5705 29.5672 178.9628 35 V 3.5317 7.4061 118.0486 65.9118 31.3693 177.4873 36 A 4.3208 7.5060 120.1772 55.5512 18.2599 178.8868 37 K 4.1270 8.1738 117.1920 60.4869 32.1285 178.4832 38 R 4.0841 8.8644 118.7638 59.3302 30.1526 178.8287 39 G 4.1899 9.2178 106.9063 47.9854 0.0000 175.6024 40 G 3.7647 9.4038 109.3039 47.7372 0.0000 175.4287 41 E 4.0151 8.7154 122.0790 59.1283 29.3116 179.6855 42 L 4.1357 8.6285 117.9534 57.1219 41.9345 179.2560 43 W 3.7968 8.2116 128.6908 60.4645 30.5653 178.2722 44 R 3.7948 8.1514 116.8278 58.7971 29.6594 177.4370 45 A 4.4417 7.4679 117.8558 51.9202 19.0271 176.8042 46 M 4.1060 7.7209 118.1640 55.6974 32.6584 176.3313 47 K 3.9850 8.5440 124.4443 58.2211 32.9024 176.7749 48 D 4.7190 7.7078 122.7366 52.4741 41.2068 175.9784 49 K 4.5562 7.9186 132.1350 55.9079 31.6255 178.0326 50 S 4.2907 7.3523 114.8160 59.9165 62.6091 174.1272 51 E 3.7082 7.9904 119.9238 59.6760 29.4266 179.6628 52 W 4.5968 7.9373 117.6707 59.3286 28.8898 178.2812 53 E 4.2382 8.2702 116.9905 58.5551 28.9799 178.9227 54 A 4.0280 7.9721 121.0808 55.2414 18.4619 179.8743 55 K 3.9450 8.0272 116.4743 59.5933 32.2129 179.6407 56 A 3.9706 8.0152 120.6355 54.6301 18.1872 179.6077 57 A 4.1111 7.7756 118.8076 54.9252 18.6297 179.6214 58 K 3.8402 8.0977 117.9380 59.8287 32.4235 178.8117 59 A 4.0736 8.7571 121.3422 54.9877 18.1382 179.5685 60 K 4.0189 7.6859 116.8304 59.5308 32.3955 178.4876 61 D 4.4244 8.2663 119.3233 57.7022 40.7581 178.6759 62 D 4.3543 8.1984 118.8285 57.6691 40.8268 177.9697 63 Y 4.1618 7.9760 119.7631 61.2781 38.8013 178.2680 64 D 4.1049 8.7134 119.8128 57.2048 40.8829 178.8121 65 R 3.8618 8.0580 119.0935 59.3685 30.0494 178.4995 66 A 4.0433 8.7098 121.0649 54.8883 18.1715 179.8606 67 V 3.3543 7.7180 117.4221 65.6954 31.5228 177.9326 68 K 3.8418 7.7999 119.2358 59.6948 32.0394 178.0370 69 E 3.9251 8.0708 119.3093 59.4784 29.2678 178.5408 70 F 4.1106 8.2865 119.5108 61.3564 39.5025 176.5055 71 E 4.1320 8.0175 116.7283 58.8906 29.5240 177.5112 72 A 4.0799 8.4479 121.9425 52.3517 18.5392 180.1434 73 N 4.7768 8.3522 121.4925 50.7260 37.8303 176.1546 74 G 4.1120 9.0691 117.9565 46.9119 0.0000 172.9762 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 S 8.33 4.43 0.00 4.04 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 3 D 8.37 4.30 0.00 2.78 2.64 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 4 K 8.91 2.90 0.00 1.19 1.50 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 0.99 7.81 5 P 0.00 4.40 0.00 2.19 2.02 0.00 3.53 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.09 0.00 6 K 8.69 3.91 0.00 1.75 1.75 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.49 7.81 7 R 8.44 3.19 0.00 1.64 1.61 0.00 3.18 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 8 P 0.00 4.49 0.00 2.11 2.11 0.00 3.10 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 9 L 8.02 4.17 0.00 1.66 1.60 0.90 0.81 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 10 S 8.30 4.50 0.00 4.08 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 11 A 8.43 4.23 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.72 2.43 0.00 1.51 2.52 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 13 A 7.74 3.50 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 14 L 7.52 3.87 0.00 2.02 2.22 1.11 0.91 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 15 W 7.55 2.00 0.00 2.16 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.24 2.65 0.00 0.95 1.15 0.60 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.56 4.02 0.00 2.84 2.72 0.00 0.00 6.80 7.00 0.00 0.00 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 S 7.23 3.89 0.00 4.18 4.05 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 19 A 6.31 4.35 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 3.60 0.00 1.85 1.76 0.00 2.99 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 21 E 8.02 3.87 0.00 2.01 1.94 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 2.36 2.40 0.00 22 S 7.82 4.04 0.00 3.83 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 23 I 7.36 3.70 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.62 0.91 0.00 0.00 24 K 8.25 4.12 0.00 1.95 1.82 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.39 7.81 25 R 8.06 3.90 0.00 1.73 2.17 0.00 3.25 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 26 E 8.24 4.24 0.00 2.01 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 2.35 2.52 0.00 27 N 7.56 4.99 0.00 2.87 2.69 0.00 0.00 6.84 7.91 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 28 P 0.00 4.39 0.00 2.03 2.01 0.00 3.74 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 2.03 2.22 0.00 29 G 8.94 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.56 3.59 2.03 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 1.35 0.95 0.90 0.00 0.00 31 K 8.44 4.31 0.00 2.02 1.94 0.00 1.46 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.48 7.81 32 V 8.44 3.57 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 0.97 0.00 0.00 0.92 0.00 0.00 33 T 7.94 3.82 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 1.22 0.00 0.00 34 E 8.14 4.04 0.00 2.04 1.95 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 2.39 2.38 0.00 35 V 7.41 3.53 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 0.90 0.00 0.00 0.94 0.00 0.00 36 A 7.51 4.32 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 37 K 8.17 4.13 0.00 1.87 2.03 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.51 7.81 38 R 8.86 4.08 0.00 1.97 2.07 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 39 G 9.22 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 40 G 9.40 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.72 4.02 0.00 2.19 2.06 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 2.36 2.62 0.00 42 L 8.63 4.14 0.00 2.19 1.99 1.19 1.20 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 43 W 8.21 3.80 0.00 3.22 3.20 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 44 R 8.15 3.79 0.00 1.78 1.92 0.00 3.17 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 45 A 7.47 4.44 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.72 4.11 0.00 1.55 1.51 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.50 0.00 47 K 8.54 3.99 0.00 1.67 1.78 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.36 7.81 48 D 7.71 4.72 0.00 2.62 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 0.00 0.00 0.00 0.00 49 K 7.92 4.56 0.00 2.07 1.89 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.09 1.14 7.81 50 S 7.35 4.29 0.00 4.34 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 51 E 7.99 3.71 0.00 1.16 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 2.21 2.26 0.00 52 W 7.94 4.60 0.00 3.74 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 4.24 0.00 2.37 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 0.00 2.46 2.57 0.00 54 A 7.97 4.03 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 55 K 8.03 3.94 0.00 1.94 1.92 0.00 1.36 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.53 7.81 56 A 8.02 3.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 3.84 0.00 1.97 2.01 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.48 7.81 59 A 8.76 4.07 1.39 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 0.00 0.00 0.00 60 K 7.69 4.02 0.00 2.03 2.05 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.71 7.81 61 D 8.27 4.42 0.00 3.01 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 62 D 8.20 4.35 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.98 4.16 0.00 3.14 3.26 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 64 D 8.71 4.10 0.00 2.89 2.69 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 65 R 8.06 3.86 0.00 2.08 2.01 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 66 A 8.71 4.04 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 67 V 7.72 3.35 1.86 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 0.90 0.00 0.00 0.13 0.00 0.00 68 K 7.80 3.84 0.00 1.84 2.03 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 69 E 8.07 3.93 0.00 2.29 2.19 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 2.33 2.40 0.00 70 F 8.29 4.11 0.00 3.00 3.19 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 71 E 8.02 4.13 0.00 2.08 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 2.39 2.48 0.00 72 A 8.45 4.08 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 73 N 8.35 4.78 0.00 2.72 1.91 0.00 0.00 7.14 7.67 0.00 0.00 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 G 9.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00