# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 Q C C 106.78 5.67 16.95 23.75 116.80 -160.34 -97.68 132.47 99.66 0.33 0.00 99.71 0.04 0.01 0.00 0.00 0.00 0.23 0.01 1 L C C 79.86 11.64 12.99 25.11 119.36 -149.49 -101.65 132.53 61.99 37.90 0.11 60.12 0.69 0.25 0.02 0.06 0.00 38.14 0.71 2 L E E 47.84 12.75 14.69 28.59 119.09 -155.53 -105.14 133.80 23.43 76.48 0.09 20.91 1.83 0.19 0.02 0.07 0.00 76.49 0.51 3 K E E 106.09 9.67 18.23 28.93 123.40 -160.42 -115.94 135.97 10.19 89.79 0.03 9.16 0.64 0.05 0.00 0.02 0.00 89.96 0.16 4 F E E 31.66 17.35 16.69 34.35 133.51 -177.09 -136.49 150.89 3.90 96.10 0.01 3.55 0.19 0.01 0.00 0.00 0.00 96.18 0.07 5 T E E 55.56 11.07 22.46 33.87 123.39 -147.26 -118.29 134.21 1.67 98.33 0.00 1.55 0.06 0.00 0.00 0.00 0.00 98.34 0.05 6 L E E 12.04 22.79 17.04 39.90 118.64 -162.19 -112.41 127.35 2.40 97.60 0.00 2.25 0.09 0.01 0.00 0.00 0.00 97.50 0.16 7 D E E 64.58 7.68 25.11 33.20 109.37 -143.87 -93.09 114.88 14.81 85.17 0.02 13.56 0.91 0.05 0.01 0.02 0.00 84.88 0.57 8 C C C 8.92 23.61 14.02 37.97 100.63 -174.94 -97.97 15.63 79.51 19.16 1.33 56.12 15.81 7.26 0.17 1.38 0.00 17.73 1.52 9 T C S 67.98 8.30 20.39 29.35 93.78 109.80 -73.60 -21.52 94.25 5.26 0.48 11.55 72.17 10.58 0.04 0.47 0.00 4.58 0.61 10 H C S 97.94 6.32 19.67 26.67 110.52 42.19 -118.40 84.99 95.34 4.45 0.21 12.00 82.34 1.52 0.03 0.14 0.00 3.20 0.77 11 P C C 43.95 14.73 13.68 28.62 112.50 -157.59 -69.90 143.61 86.14 13.39 0.46 82.69 2.83 0.38 0.22 0.19 0.00 4.72 8.96 12 V C C 43.64 14.33 11.91 26.27 116.31 -122.85 -87.22 156.09 78.15 20.77 1.08 73.20 3.04 0.69 0.52 0.49 0.00 6.85 15.20 13 E C T 154.24 1.65 15.27 17.24 94.33 -102.93 -65.42 -24.23 82.84 12.71 4.45 2.65 10.08 71.34 0.52 3.82 0.05 8.20 3.33 14 D C T 104.21 3.00 14.78 18.57 94.92 48.94 -87.49 4.93 95.87 0.60 3.53 0.74 6.88 88.39 0.19 3.28 0.00 0.31 0.21 15 G C S 44.54 6.25 14.49 22.11 95.05 -106.37 82.18 7.12 95.99 1.76 2.24 6.95 69.60 19.53 0.19 1.95 0.00 0.88 0.89 16 I C S 54.67 12.53 16.41 29.52 98.38 111.29 -84.45 -30.59 83.95 15.61 0.45 34.54 49.06 1.81 0.20 0.24 0.00 6.94 7.21 17 M C C 18.60 20.38 13.87 34.25 130.29 22.55 -130.32 144.29 56.43 43.09 0.48 35.66 20.48 0.65 0.35 0.18 0.00 15.15 27.53 18 D C C 66.28 5.64 24.31 29.84 122.21 -136.94 -90.59 153.28 82.84 16.66 0.50 82.45 1.40 0.24 0.42 0.10 0.00 10.96 4.43 19 A H H 29.23 18.09 14.66 32.45 92.13 -116.82 -59.44 -37.64 8.25 0.13 91.61 2.15 1.15 4.80 85.62 6.12 0.02 0.09 0.04 20 A H H 61.28 3.16 21.97 24.79 91.56 54.94 -63.29 -40.44 5.45 0.05 94.51 0.49 0.41 4.08 86.88 8.07 0.02 0.03 0.01 21 N H H 61.43 8.04 20.70 29.30 91.89 49.83 -66.34 -39.11 4.08 0.06 95.86 0.68 0.39 2.61 86.40 9.86 0.01 0.04 0.01 22 F H H 8.47 24.23 15.45 39.82 91.50 51.80 -63.92 -43.09 1.80 0.02 98.17 0.65 0.22 0.90 96.21 2.00 0.00 0.01 0.01 23 E H H 63.71 12.87 19.75 32.59 91.62 52.46 -62.89 -41.69 0.80 0.01 99.19 0.21 0.06 0.43 98.89 0.40 0.00 0.00 0.00 24 Q H H 101.68 2.16 23.66 24.26 91.74 50.56 -64.34 -41.78 0.57 0.00 99.42 0.10 0.04 0.34 99.32 0.19 0.00 0.00 0.00 25 F H H 33.11 12.83 19.10 33.05 91.82 49.32 -64.15 -43.31 0.40 0.00 99.60 0.07 0.03 0.23 99.51 0.16 0.00 0.00 0.00 26 L H H 7.91 23.58 14.92 38.48 91.86 49.66 -64.79 -40.69 0.41 0.00 99.59 0.07 0.02 0.24 99.39 0.27 0.00 0.00 0.00 27 Q H H 95.90 8.60 18.57 27.75 91.84 53.30 -65.51 -35.70 1.42 0.00 98.58 0.08 0.06 1.18 98.01 0.67 0.00 0.00 0.00 28 E H H 128.39 2.26 20.88 22.39 94.01 46.88 -74.87 -30.11 9.46 0.01 90.53 0.17 0.31 9.30 89.43 0.76 0.01 0.00 0.01 29 R H H 99.02 10.35 17.74 28.27 101.70 33.02 -105.55 -11.04 30.12 0.23 69.66 1.77 2.33 25.18 69.49 0.98 0.05 0.10 0.09 30 I C C 23.55 21.64 11.83 32.58 113.48 80.62 -92.70 121.99 86.20 10.81 2.99 63.66 19.71 2.59 2.98 0.63 0.00 7.17 3.24 31 K E E 111.53 4.87 20.91 26.73 124.08 125.59 -120.00 137.07 39.02 60.03 0.95 36.81 1.61 0.47 0.76 0.29 0.00 50.20 9.87 32 V E E 38.58 17.30 10.79 27.55 118.39 -170.03 -123.99 119.57 12.98 85.54 1.48 7.75 3.05 1.64 0.95 0.73 0.03 60.12 25.73 33 N C T 126.48 2.40 14.51 18.04 92.64 -12.64 53.23 39.95 95.58 1.34 3.08 0.74 4.36 90.93 0.23 2.59 0.00 0.80 0.35 34 G C T 63.82 1.24 14.02 15.23 94.48 -52.34 79.71 3.20 97.72 0.24 2.04 0.69 5.48 91.53 0.12 1.96 0.00 0.14 0.09 35 K E E 113.35 4.19 14.11 20.24 122.92 108.59 -114.74 140.08 19.54 79.76 0.70 4.59 8.98 7.28 0.27 0.39 0.08 47.75 30.67 36 A C T 63.26 7.75 13.60 22.66 113.65 -113.28 -69.41 138.49 63.12 32.43 4.45 10.47 15.26 40.84 0.75 3.67 0.05 24.42 4.55 37 G C T 37.24 8.75 16.98 26.47 96.63 19.13 79.26 0.50 88.20 7.39 4.41 23.59 25.89 38.95 0.75 3.84 0.01 5.60 1.37 38 N C C 73.22 9.25 17.58 27.65 99.82 121.06 -88.79 12.39 83.60 10.35 6.05 59.25 15.04 8.89 1.55 4.64 0.01 6.24 4.38 39 L C C 47.09 17.39 13.43 29.91 102.00 89.87 -88.41 9.70 73.97 18.90 7.13 44.76 15.24 14.39 1.85 5.25 0.05 9.46 9.00 40 G C T 43.35 5.63 16.79 23.65 103.62 -101.65 71.98 29.49 71.42 16.39 12.19 22.96 19.42 30.35 1.87 9.75 0.07 8.65 6.93 41 G C T 59.17 2.33 16.93 19.81 95.13 -17.00 63.31 20.62 87.62 2.06 10.32 5.40 24.57 57.06 0.79 10.06 0.01 1.23 0.89 42 G C T 41.66 8.99 16.15 25.61 97.93 -61.11 82.08 4.81 90.95 3.43 5.62 6.54 31.81 52.49 0.34 5.64 0.00 2.52 0.66 43 V E E 54.41 10.92 18.52 30.09 102.12 107.73 -92.90 0.21 43.09 56.10 0.81 26.70 14.94 3.79 0.23 0.71 0.01 47.90 5.72 44 V E E 15.96 22.50 13.13 35.08 123.84 85.36 -117.12 134.07 16.52 83.44 0.04 14.82 1.18 0.09 0.01 0.02 0.00 82.99 0.88 45 S E E 44.17 6.97 25.52 32.90 125.34 -166.01 -118.83 142.32 3.91 96.08 0.01 3.77 0.11 0.01 0.00 0.00 0.00 95.94 0.16 46 L E E 32.88 22.44 13.40 34.97 124.21 -162.03 -122.26 132.73 1.80 98.20 0.00 1.71 0.07 0.00 0.00 0.00 0.00 98.19 0.03 47 E E E 98.78 4.08 23.30 27.74 125.32 -173.45 -126.37 138.08 0.91 99.08 0.01 0.80 0.05 0.01 0.00 0.00 0.00 99.10 0.04 48 R E E 117.91 13.02 12.53 25.58 118.73 -148.34 -105.10 129.72 5.49 94.48 0.03 4.44 0.63 0.10 0.01 0.02 0.00 94.64 0.17 49 S C C 51.90 4.22 14.83 20.40 127.86 173.76 -124.09 167.14 65.84 34.11 0.05 61.42 2.06 0.20 0.01 0.03 0.00 35.92 0.36 50 K C S 169.08 1.19 14.76 15.91 95.10 -84.82 -59.97 -36.96 99.31 0.49 0.19 2.57 61.39 35.43 0.01 0.18 0.00 0.37 0.06 51 S C S 65.92 7.45 13.90 22.25 102.49 13.20 -109.47 -2.21 99.38 0.45 0.17 1.87 61.03 36.56 0.00 0.16 0.00 0.34 0.04 52 K E E 78.30 8.53 18.57 28.15 138.72 39.12 -143.81 154.97 34.44 65.52 0.04 24.65 9.13 0.37 0.00 0.04 0.00 65.27 0.54 53 I E E 11.71 21.99 14.62 37.31 120.13 -142.71 -114.17 129.11 3.35 96.65 0.00 3.24 0.07 0.00 0.00 0.00 0.00 96.62 0.07 54 T E E 33.79 9.46 25.19 35.81 119.35 -163.43 -112.11 129.86 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 55 V E E 7.37 24.00 17.36 41.81 121.46 -166.81 -116.63 129.44 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 56 T E E 46.63 9.57 25.63 35.69 125.68 -171.35 -121.06 139.36 1.09 98.91 0.00 0.99 0.03 0.00 0.00 0.00 0.00 98.95 0.03 57 S E E 11.56 21.85 14.15 35.58 131.31 -168.24 -130.12 152.74 21.65 78.33 0.01 19.81 0.97 0.04 0.00 0.01 0.00 78.82 0.35 58 E C S 122.32 4.58 22.26 27.48 98.28 -146.24 -91.98 -3.31 81.79 18.17 0.04 36.93 44.09 0.51 0.00 0.04 0.00 17.98 0.46 59 V C S 37.77 14.07 16.08 31.10 119.75 86.94 -101.31 135.18 91.53 8.42 0.06 33.83 57.68 0.58 0.01 0.05 0.00 7.19 0.66 60 P C C 76.06 6.73 23.33 30.36 112.68 -110.16 -67.37 141.54 95.64 4.30 0.06 87.96 7.46 0.46 0.01 0.05 0.00 3.41 0.64 61 F C C 15.83 24.42 11.74 35.85 120.99 -140.78 -100.95 144.20 91.94 7.87 0.19 85.38 5.97 0.23 0.10 0.08 0.00 2.56 5.69 62 S C C 39.17 6.86 21.75 29.13 119.80 -121.17 -78.81 157.39 97.04 2.74 0.22 96.46 0.99 0.09 0.14 0.03 0.00 0.94 1.35 63 K H H 115.61 9.04 16.00 26.04 91.39 -112.22 -59.29 -36.28 3.75 0.01 96.24 0.32 0.49 2.84 94.76 1.58 0.01 0.00 0.00 64 R H H 137.17 3.40 20.51 23.73 91.41 55.47 -63.62 -39.77 2.68 0.01 97.31 0.18 0.20 2.24 95.23 2.15 0.01 0.00 0.00 65 Y H H 35.96 17.08 17.55 34.62 92.09 48.88 -66.17 -40.57 1.24 0.01 98.75 0.15 0.10 0.89 96.16 2.69 0.00 0.00 0.00 66 L H H 15.68 21.42 16.77 37.74 91.72 51.66 -63.87 -41.46 0.45 0.00 99.55 0.09 0.04 0.27 98.69 0.91 0.00 0.00 0.00 67 K H H 99.37 7.20 21.95 29.43 91.87 52.39 -64.46 -39.89 1.32 0.00 98.67 0.09 0.06 1.14 96.92 1.77 0.00 0.00 0.00 68 Y H H 80.74 8.33 22.06 30.91 92.41 49.13 -66.71 -40.84 2.93 0.01 97.07 0.17 0.15 2.55 95.75 1.36 0.01 0.00 0.00 69 L H H 12.72 20.60 19.04 39.36 93.52 48.05 -68.59 -39.93 12.00 0.07 87.93 1.28 1.35 9.22 86.78 1.27 0.04 0.03 0.04 70 T H H 18.85 18.43 19.26 37.14 95.43 48.21 -72.06 -39.65 36.47 0.40 63.13 9.51 3.51 22.44 62.55 1.58 0.02 0.16 0.21 71 K H H 100.63 7.95 20.72 28.90 92.66 53.36 -64.16 -41.14 11.42 0.09 88.50 2.30 1.72 7.18 87.80 0.91 0.02 0.03 0.04 72 K H H 98.78 4.29 21.71 25.97 92.68 48.34 -66.41 -41.60 6.05 0.04 93.91 0.95 0.68 4.29 93.26 0.78 0.01 0.02 0.01 73 Y H H 32.91 14.60 17.18 32.51 92.81 47.15 -66.37 -42.51 2.62 0.04 97.34 0.59 0.39 1.68 96.13 1.16 0.02 0.02 0.01 74 L H H 17.20 18.10 13.57 31.96 92.10 50.61 -64.29 -41.68 1.78 0.03 98.19 0.45 0.21 1.09 96.71 1.51 0.01 0.02 0.01 75 K H H 131.39 2.79 17.18 20.52 92.27 49.20 -65.35 -40.48 2.36 0.02 97.62 0.34 0.18 1.70 96.45 1.30 0.01 0.01 0.00 76 K H H 134.33 2.57 16.13 19.24 92.19 50.82 -66.80 -33.06 8.13 0.02 91.85 0.33 0.45 7.39 90.82 0.98 0.02 0.01 0.01 77 N C T 59.77 10.32 12.48 24.09 97.08 42.51 -99.47 6.97 84.45 0.07 15.48 0.83 2.79 79.68 15.65 0.95 0.00 0.02 0.07 78 N C T 124.59 1.99 18.74 20.96 93.06 -122.12 57.67 38.79 98.89 0.03 1.07 3.49 2.35 93.28 0.60 0.24 0.00 0.02 0.01 79 L C C 19.40 19.31 12.29 31.80 100.24 136.03 -101.70 14.49 92.40 0.76 6.84 88.39 2.09 2.84 1.93 3.93 0.00 0.34 0.48 80 R H G 91.66 15.25 15.75 30.38 92.93 115.94 -61.75 -32.19 45.11 1.01 53.88 17.50 5.31 19.24 2.07 54.99 0.00 0.67 0.22 81 D H G 99.37 3.81 22.23 26.51 91.06 62.00 -72.97 -14.30 46.33 0.62 53.04 3.06 5.86 34.27 1.62 54.59 0.01 0.37 0.22 82 W H G 47.92 17.14 18.22 35.26 98.07 54.38 -95.96 -8.87 47.48 2.03 50.49 6.00 8.51 31.52 1.57 50.53 0.00 1.49 0.37 83 L E E 7.66 24.84 16.15 41.12 121.71 82.13 -105.56 136.60 35.48 63.39 1.13 27.82 7.75 1.24 0.29 0.80 0.00 60.90 1.21 84 R E E 72.41 12.70 25.92 38.26 126.88 -172.68 -123.06 140.02 8.05 91.91 0.04 6.81 0.71 0.07 0.01 0.02 0.00 92.28 0.10 85 V E E 23.10 20.54 20.47 40.49 118.20 -141.45 -105.36 128.38 0.77 99.23 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.27 0.02 86 V E E 28.09 14.17 21.71 36.44 121.58 -170.82 -117.24 134.13 0.46 99.54 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.56 0.02 87 A E E 24.57 14.80 15.62 31.16 123.66 -161.83 -118.78 137.15 4.81 95.18 0.01 4.49 0.17 0.02 0.00 0.00 0.00 95.20 0.11 88 N C E 93.56 5.88 16.54 23.70 99.73 -167.24 -92.62 -22.53 52.13 47.80 0.07 19.93 29.43 1.25 0.00 0.07 0.00 49.07 0.24 89 T C S 72.02 2.57 17.77 20.06 134.88 4.07 -141.54 168.97 65.47 34.32 0.21 10.37 50.00 4.94 0.02 0.22 0.00 33.40 1.06 90 K C T 147.42 4.42 13.66 19.52 93.87 -87.19 -64.74 -27.64 99.34 0.28 0.38 0.85 36.23 62.32 0.01 0.35 0.00 0.17 0.06 91 E C T 124.45 4.78 15.32 21.20 100.29 27.85 -103.94 4.53 99.23 0.51 0.27 1.65 37.54 60.07 0.01 0.29 0.00 0.37 0.06 92 S E E 36.28 8.40 17.25 27.30 129.10 75.97 -126.59 146.03 38.30 61.64 0.06 32.01 4.91 0.33 0.01 0.06 0.00 62.17 0.53 93 Y E E 35.96 19.92 12.65 32.31 133.87 -175.29 -137.73 149.79 5.15 94.85 0.00 4.65 0.16 0.01 0.00 0.00 0.00 95.12 0.05 94 E E E 81.31 7.08 24.01 31.67 124.36 -155.33 -121.22 136.72 0.38 99.62 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 95 L E E 27.86 21.14 14.57 35.44 117.12 -139.58 -96.90 131.69 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 96 R E E 92.00 8.70 20.90 30.26 124.07 -170.68 -120.29 136.94 2.83 97.17 0.00 2.61 0.07 0.00 0.00 0.00 0.00 97.28 0.03 97 Y E E 95.03 12.81 15.51 28.58 117.04 -132.56 -91.23 135.99 20.64 79.34 0.02 19.29 0.56 0.08 0.00 0.01 0.00 79.50 0.56 98 F C C 60.99 15.68 15.81 30.82 107.45 -154.85 -92.49 91.01 99.62 0.37 0.01 99.52 0.11 0.06 0.00 0.00 0.00 0.31 0.01