NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4718 8.1633 120.6071 55.0172 34.7831 174.9837 2 I 4.6400 7.4878 115.9182 57.6483 40.7393 169.8982 3 V 3.3153 8.4528 122.8810 62.3010 32.6377 173.9237 4 P 4.3876 0.0000 0.0000 62.3607 32.2006 176.6839 5 V 3.7429 8.4812 121.2259 65.9226 32.0844 175.8464 6 R 5.5162 7.5353 116.2479 52.8647 33.7072 174.9776 7 C 3.5310 8.5314 120.3217 60.2436 31.6545 174.7707 8 F 4.4542 8.3853 124.8354 60.6655 38.9308 176.6016 9 S 4.4808 8.1923 115.2962 60.1037 63.2160 174.5678 10 C 4.5079 8.1105 111.7282 57.2954 30.5939 174.4967 11 G 4.0020 8.0966 108.9298 45.2531 0.0000 174.0680 12 K 3.7156 7.8711 120.1730 56.7559 32.4872 175.8593 13 V 3.9760 8.1291 125.0329 63.1375 32.2232 175.7974 14 V 4.3974 8.8999 122.4915 62.3526 33.4863 176.4909 15 G 3.8951 8.1342 106.6627 47.0196 0.0000 173.6658 16 D 4.7928 7.9639 118.2829 53.2822 40.1035 177.4101 17 K 4.5704 7.8581 118.0497 56.1771 33.1311 177.6983 18 W 4.6310 8.1334 129.9854 60.6563 30.7194 177.6182 19 E 3.8428 8.2467 118.1729 59.4186 29.0803 179.2981 20 S 4.0801 8.0681 114.6561 61.1650 62.9698 175.8976 21 Y 3.9926 7.2528 121.1303 60.1129 38.7604 177.2376 22 L 3.3785 7.3967 121.1065 57.9995 42.2794 178.2195 23 N 4.1118 8.1299 116.8259 56.7733 38.3049 177.1856 24 L 4.0516 7.5495 119.1651 56.9034 41.6096 179.4665 25 L 3.9410 7.4328 119.1120 57.2269 41.5068 178.5606 26 Q 4.1171 7.5290 117.5225 58.1784 29.4664 176.6035 27 E 4.1358 7.8204 118.1335 58.4913 29.7822 177.1471 28 D 4.7587 7.5157 114.1485 53.1555 42.3465 175.2025 29 E 3.9451 8.1130 115.7976 56.6156 26.8991 174.5758 30 L 4.3079 7.2248 116.7516 53.8306 42.6321 176.8684 31 D 4.4899 8.5010 121.0488 53.2054 40.5333 177.0423 32 E 4.0799 9.1519 122.7354 59.9970 29.6489 180.2518 33 G 3.7475 8.1940 104.4192 47.3687 0.0000 175.5488 34 T 4.1016 7.9910 117.4747 65.9119 69.1660 176.3603 35 A 4.1900 8.0317 122.2454 55.5196 18.1360 179.6163 36 L 4.1158 8.0094 116.7573 57.9716 41.6996 179.5486 37 S 4.3064 8.0754 113.6076 60.3687 62.5401 176.2220 38 R 4.1194 7.5676 120.9618 58.5147 29.7342 176.9941 39 L 4.5307 7.5625 117.7548 54.4822 41.5996 178.3474 40 G 3.7365 7.7333 106.0320 45.7120 0.0000 175.0309 41 L 4.3365 7.2168 120.9785 53.4468 40.2797 175.9244 42 K 4.4606 8.2822 122.6142 57.0260 34.9810 178.2094 43 R 4.2322 7.6297 116.3810 55.5713 31.8830 176.9411 44 Y 4.3016 8.1373 119.3126 59.7314 37.8750 177.8883 45 C 4.1735 7.7581 115.9716 61.8546 30.1829 175.1191 46 C 4.1644 8.0189 119.6984 62.1062 27.6324 176.3857 47 R 3.9478 8.2259 119.9388 59.0536 29.5280 179.1486 48 R 3.9137 8.2460 115.9556 59.3313 28.9663 178.6508 49 M 3.9150 7.5585 117.9795 58.3592 32.3817 177.5427 50 I 4.0603 7.4140 118.8036 63.4528 37.7533 177.7786 51 L 4.0297 8.0216 120.4985 57.1009 41.9821 177.3564 52 T 4.5235 7.3424 106.0246 60.9563 69.7811 173.8707 53 H 3.8922 7.7281 122.5641 56.6948 30.2193 174.4359 54 V 4.3497 7.5505 123.9582 60.8541 33.7992 176.3474 55 D 4.8179 8.5028 129.3844 53.2997 38.1517 176.2810 56 L 3.8679 7.5187 122.7775 56.6844 42.0861 178.4207 57 I 3.4299 7.6039 118.9501 63.6210 37.6495 177.3988 58 E 3.9842 7.7718 118.2487 58.7128 29.6031 178.5429 59 K 4.2573 7.9653 118.4809 58.3464 32.6349 178.9026 60 F 4.8895 8.0917 118.3399 60.3980 38.6163 177.4197 61 L 4.3435 8.0003 116.8481 56.7282 41.5918 177.7626 62 R 4.1891 7.5994 116.2598 56.7084 29.9965 175.8290 63 Y 4.5181 7.4799 115.9147 56.5595 39.7976 175.3129 64 N 4.5948 8.6412 118.5261 53.8653 39.2060 174.2689 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 M 8.16 4.47 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.80 0.00 2 I 7.49 4.64 1.83 0.00 0.00 0.89 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 0.67 0.82 0.00 0.00 3 V 8.45 3.32 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.76 0.00 0.00 4 P 0.00 4.39 0.00 1.73 1.76 0.00 3.56 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.00 0.00 5 V 8.48 3.74 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 0.97 0.00 0.00 0.92 0.00 0.00 6 R 7.54 5.52 0.00 1.63 1.84 0.00 3.73 0.00 0.00 3.78 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.36 0.00 7 C 8.53 3.53 0.00 2.93 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 8 F 8.39 4.45 0.00 3.14 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 9 S 8.19 4.48 0.00 3.87 3.93 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 0.00 0.00 0.00 0.00 10 C 8.11 4.51 0.00 3.02 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 11 G 8.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 3.72 0.00 1.76 1.68 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.44 7.81 13 V 8.13 3.98 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 0.86 0.00 0.00 0.92 0.00 0.00 14 V 8.90 4.40 2.02 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 0.85 0.00 0.00 0.87 0.00 0.00 15 G 8.13 3.90 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 0.00 0.00 0.00 16 D 7.96 4.79 0.00 2.81 2.78 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 0.00 0.00 0.00 17 K 7.86 4.57 0.00 1.83 1.89 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.43 7.81 18 W 8.13 4.63 0.00 3.27 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 19 E 8.25 3.84 0.00 2.07 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 2.42 2.50 0.00 20 S 8.07 4.08 0.00 3.89 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 21 Y 7.25 3.99 0.00 3.14 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 22 L 7.40 3.38 0.00 1.40 1.38 0.21 -0.38 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 23 N 8.13 4.11 0.00 2.66 2.81 0.00 0.00 7.10 6.69 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 24 L 7.55 4.05 0.00 1.72 1.62 0.93 0.59 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 25 L 7.43 3.94 0.00 1.57 1.50 0.47 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.53 4.12 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 27 E 7.82 4.14 0.00 2.16 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 2.30 2.22 0.00 28 D 7.52 4.76 0.00 2.54 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.11 3.95 0.00 2.08 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 2.17 2.23 0.00 30 L 7.22 4.31 0.00 1.63 1.56 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.50 4.49 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.15 4.08 0.00 2.19 2.33 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 2.53 2.53 0.00 33 G 8.19 3.75 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 0.00 0.00 0.00 34 T 7.99 4.10 4.53 0.00 0.00 0.00 0.00 0.00 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 35 A 8.03 4.19 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 36 L 8.01 4.12 0.00 1.78 1.74 0.94 0.70 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 37 S 8.08 4.31 0.00 4.06 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 38 R 7.57 4.12 0.00 2.01 2.09 0.00 3.30 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 39 L 7.56 4.53 0.00 1.75 1.68 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.73 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.22 4.34 0.00 1.90 1.64 0.87 0.76 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 42 K 8.28 4.46 0.00 1.84 1.90 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81 43 R 7.63 4.23 0.00 1.82 1.97 0.00 2.85 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 44 Y 8.14 4.30 0.00 3.07 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.76 4.17 0.00 3.15 3.06 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 46 C 8.02 4.16 0.00 3.07 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 47 R 8.23 3.95 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 48 R 8.25 3.91 0.00 2.12 2.32 0.00 2.98 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 49 M 7.56 3.91 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 50 I 7.41 4.06 1.64 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 1.52 0.48 -0.04 0.00 0.00 51 L 8.02 4.03 0.00 1.62 1.74 1.02 1.27 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 52 T 7.34 4.52 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 1.28 0.00 0.00 53 H 7.73 3.89 0.00 3.06 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.55 4.35 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 0.86 0.00 0.00 0.98 0.00 0.00 55 D 8.50 4.82 0.00 2.94 2.66 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 56 L 7.52 3.87 0.00 1.33 0.84 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.60 3.43 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.94 0.00 0.00 58 E 7.77 3.98 0.00 2.11 2.02 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 2.57 2.57 0.00 59 K 7.97 4.26 0.00 1.77 1.87 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.40 7.81 60 F 8.09 4.89 0.00 3.17 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 61 L 8.00 4.34 0.00 1.66 1.78 0.97 0.98 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 62 R 7.60 4.19 0.00 1.58 1.83 0.00 3.11 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 63 Y 7.48 4.52 0.00 3.00 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 64 N 8.64 4.59 0.00 2.67 2.70 0.00 0.00 6.84 7.56 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