# 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 A C C 63.40 7.71 11.40 20.26 114.38 -152.43 -82.64 145.21 99.91 0.07 0.02 99.85 0.07 0.03 0.01 0.00 0.00 0.03 0.01 1 K C C 152.36 2.29 11.19 15.00 113.21 -131.44 -89.31 132.36 89.17 6.30 4.53 84.78 1.27 3.99 2.26 1.44 0.00 3.93 2.34 2 R C C 153.20 4.25 9.07 15.30 116.55 -149.37 -99.29 132.71 83.37 10.80 5.84 62.48 13.59 6.95 2.80 3.08 0.00 6.97 4.12 3 T C C 79.19 6.84 9.23 17.52 115.82 -153.00 -97.12 139.60 81.74 11.59 6.67 66.55 9.81 4.96 3.53 3.21 0.00 8.53 3.41 4 K C C 143.18 3.07 12.53 17.25 112.37 -143.54 -92.10 130.53 78.86 12.32 8.82 56.40 16.93 5.42 5.95 3.20 0.02 9.11 2.95 5 K C C 134.10 4.72 11.46 18.09 113.70 -120.10 -87.39 129.41 75.79 14.67 9.54 58.39 11.63 4.97 7.03 3.10 0.02 10.72 4.15 6 V C C 84.29 6.94 10.47 18.96 115.27 -169.72 -107.78 132.54 73.40 14.25 12.35 54.69 11.72 5.78 10.21 3.14 0.03 8.88 5.55 7 G C C 40.89 4.20 14.41 19.71 119.00 3.30 88.71 -167.38 70.64 7.69 21.67 35.65 18.48 17.04 14.78 6.62 0.11 4.88 2.43 8 I C T 105.01 5.19 13.31 19.66 97.49 -28.22 -73.63 -23.68 65.83 5.52 28.65 17.89 19.29 29.95 18.36 8.84 0.36 3.01 2.29 9 V C T 74.92 7.94 11.32 20.31 99.52 56.55 -77.25 -24.72 60.55 7.58 31.88 14.44 16.46 30.37 18.98 11.30 0.89 3.99 3.57 10 G C C 39.99 6.05 12.56 19.96 99.87 58.56 -64.54 -36.83 56.13 6.70 37.17 22.54 12.71 22.13 13.40 22.52 0.15 3.82 2.73 11 K C T 145.04 2.55 14.01 17.34 95.78 48.74 -76.35 -21.91 58.71 6.37 34.92 12.21 13.13 33.81 11.73 22.24 0.34 4.04 2.51 12 Y C T 134.32 5.65 12.11 18.99 101.47 45.81 -98.83 2.04 62.54 8.84 28.62 16.06 15.02 32.52 10.91 16.27 0.47 5.14 3.61 13 G C C 36.80 6.26 12.69 20.21 122.42 -105.76 60.29 173.87 85.19 10.79 4.02 49.38 26.82 9.33 1.53 2.46 0.01 6.38 4.10 14 T C C 79.06 6.66 11.60 19.67 116.21 -71.17 -90.67 138.97 80.81 13.56 5.63 51.00 18.15 11.53 2.09 3.67 0.01 8.54 5.00 15 R C C 170.83 2.45 13.08 16.67 99.95 -146.03 -85.02 5.58 81.09 11.71 7.20 40.13 23.87 18.08 2.67 4.27 0.03 7.43 3.52 16 Y C C 131.79 5.74 11.18 18.24 110.99 65.86 -96.72 96.78 79.33 11.87 8.80 38.54 26.06 15.72 4.34 4.08 0.06 6.41 4.80 17 G C C 30.77 4.97 13.92 20.38 124.02 -104.50 99.96 168.59 86.15 5.35 8.50 67.88 12.73 4.81 7.21 1.98 0.00 2.81 2.57 18 A H H 70.53 4.15 12.30 17.89 93.29 -94.27 -62.48 -35.41 8.96 0.13 90.91 3.86 2.00 3.21 89.69 1.12 0.01 0.06 0.06 19 S H H 74.51 1.62 15.77 16.87 91.92 54.66 -64.69 -39.48 4.21 0.08 95.72 1.31 0.61 2.29 94.52 1.20 0.01 0.04 0.02 20 L H H 65.42 7.09 14.10 22.76 92.37 49.65 -66.29 -39.77 1.55 0.05 98.40 0.60 0.21 0.76 97.32 1.07 0.00 0.03 0.01 21 R H H 85.09 10.42 13.69 25.00 92.03 52.81 -63.85 -40.88 0.91 0.02 99.07 0.34 0.11 0.42 98.68 0.43 0.00 0.01 0.00 22 K H H 114.12 2.65 18.44 20.95 91.88 51.23 -64.70 -40.40 1.21 0.03 98.76 0.39 0.13 0.61 98.58 0.28 0.00 0.01 0.00 23 M H H 91.74 3.53 18.47 22.21 91.88 50.06 -64.72 -41.56 1.42 0.03 98.54 0.41 0.15 0.75 98.42 0.24 0.00 0.01 0.01 24 V H H 39.19 11.58 15.53 28.18 92.27 50.30 -64.61 -41.85 1.21 0.03 98.75 0.36 0.14 0.61 98.66 0.21 0.00 0.01 0.01 25 K H H 93.80 7.81 17.57 26.17 91.91 51.60 -63.53 -40.77 1.78 0.04 98.18 0.50 0.17 0.96 98.03 0.31 0.00 0.02 0.01 26 K H H 120.05 2.85 19.16 21.99 91.94 50.13 -64.94 -40.34 3.05 0.06 96.89 0.64 0.30 1.93 96.59 0.49 0.01 0.03 0.01 27 I H H 69.38 7.35 17.19 25.64 93.05 48.17 -67.25 -40.75 5.26 0.19 94.55 1.44 0.71 2.96 93.97 0.75 0.02 0.10 0.05 28 E H H 64.15 10.50 15.85 27.22 92.89 51.29 -65.63 -40.42 9.12 0.54 90.34 3.74 1.24 4.36 88.08 2.06 0.03 0.34 0.14 29 I H H 80.42 5.61 17.21 23.84 92.89 49.35 -66.89 -38.69 13.95 0.86 85.19 4.93 2.09 7.38 80.90 3.82 0.07 0.55 0.27 30 S H H 48.44 6.50 15.40 23.37 94.36 51.51 -73.95 -23.80 24.02 0.61 75.37 7.83 2.94 13.55 69.74 5.28 0.05 0.34 0.26 31 Q H H 84.44 10.37 13.35 24.50 93.92 73.56 -67.40 -24.94 46.80 0.72 52.48 6.37 6.39 33.65 46.14 6.54 0.14 0.36 0.41 32 H C T 129.89 3.97 15.64 20.61 97.86 47.70 -95.87 0.33 58.83 1.15 40.02 9.93 8.56 39.90 34.14 6.19 0.10 0.58 0.61 33 A C C 45.68 8.87 12.31 22.83 117.45 105.78 -79.79 145.48 84.82 3.57 11.61 58.46 18.47 7.78 8.35 3.53 0.01 1.99 1.40 34 K C C 141.69 3.73 16.50 21.59 112.30 -121.13 -85.47 127.83 80.18 15.22 4.59 61.74 12.93 5.19 2.46 2.17 0.01 12.58 2.93 35 Y E E 64.48 13.91 12.53 27.05 129.54 159.26 -127.05 150.18 47.31 50.50 2.19 34.51 10.61 2.64 1.24 1.25 0.01 42.74 6.99 36 T E B 77.20 5.19 19.24 25.38 120.42 -135.57 -108.18 135.12 22.18 77.43 0.39 18.86 1.38 0.15 0.33 0.11 0.00 34.61 44.56 37 C C C 14.21 19.00 9.55 28.72 109.82 -117.19 -73.53 126.44 92.77 7.17 0.06 92.78 0.86 0.12 0.02 0.03 0.00 4.91 1.28 38 S C T 76.91 3.29 17.15 21.25 92.67 -148.41 -70.03 -23.31 99.17 0.42 0.41 1.19 10.30 87.69 0.02 0.38 0.00 0.28 0.14 39 F C T 115.14 6.24 14.93 22.22 100.15 45.80 -84.26 -40.23 99.51 0.14 0.35 0.19 5.02 94.39 0.01 0.29 0.00 0.07 0.04 40 C C T 63.03 6.30 13.16 21.08 103.41 18.31 -109.83 -12.89 99.53 0.14 0.32 0.46 5.39 93.72 0.01 0.31 0.00 0.07 0.04 41 G C C 49.94 3.02 15.06 19.01 95.67 -119.50 79.97 5.75 97.91 1.87 0.22 72.74 19.93 5.19 0.05 0.20 0.00 0.94 0.95 42 K C C 87.95 7.20 12.99 22.06 117.87 136.81 -80.04 144.43 87.19 12.62 0.19 72.38 14.86 0.50 0.07 0.13 0.00 6.12 5.94 43 T E E 80.02 7.91 15.45 24.41 105.56 -147.58 -100.33 50.29 32.71 67.01 0.28 27.49 4.55 0.29 0.18 0.14 0.00 37.40 29.96 44 K C C 96.59 6.93 19.97 27.64 128.34 127.04 -123.92 148.89 57.07 42.86 0.07 48.91 6.72 0.30 0.01 0.06 0.00 43.20 0.79 45 M E E 32.88 20.83 12.68 32.74 123.76 -138.92 -109.11 139.75 24.38 75.57 0.05 23.32 1.01 0.10 0.01 0.04 0.00 74.12 1.41 46 K E E 98.99 6.09 22.70 29.43 125.19 -165.17 -122.91 140.51 5.95 94.04 0.01 5.77 0.21 0.02 0.00 0.00 0.00 93.53 0.47 47 R E E 96.91 14.49 13.96 28.36 110.41 -119.54 -79.13 125.25 6.26 93.72 0.02 5.92 0.25 0.03 0.00 0.01 0.00 93.17 0.62 48 R E E 122.99 6.01 18.41 25.51 101.24 176.99 -99.55 -24.51 30.63 69.27 0.11 24.36 5.17 0.44 0.02 0.08 0.00 69.51 0.42 49 A E E 40.67 6.22 19.76 26.85 139.83 -6.83 -157.42 165.52 38.35 61.09 0.56 8.32 21.96 10.31 0.05 0.58 0.00 57.24 1.54 50 V C T 78.77 9.29 18.82 28.51 109.36 -61.62 -62.86 130.19 98.48 1.09 0.44 2.65 18.28 77.57 0.02 0.50 0.00 0.81 0.16 51 G C T 15.33 14.98 18.76 33.81 96.84 9.68 86.70 -3.22 98.45 1.31 0.24 2.61 17.92 77.83 0.00 0.33 0.00 1.24 0.08 52 I E E 34.71 12.32 20.33 34.21 122.98 109.34 -113.70 133.89 8.22 91.78 0.00 7.25 0.41 0.01 0.00 0.00 0.00 92.14 0.18 53 W E E 22.24 19.15 18.46 38.02 129.08 -172.27 -124.51 145.49 0.34 99.66 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 54 H E E 57.36 10.20 23.72 34.62 124.86 -154.98 -119.62 138.04 0.22 99.78 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.72 0.04 55 C E E 9.38 18.81 13.56 33.57 109.87 -121.60 -77.30 125.27 16.41 83.57 0.01 16.20 0.32 0.02 0.00 0.01 0.00 83.01 0.43 56 G C T 34.09 7.55 18.20 27.09 94.45 -152.81 -69.07 -31.13 97.42 0.21 2.37 0.43 5.09 91.21 0.03 3.06 0.00 0.13 0.04 57 S C T 70.87 4.32 17.11 22.32 98.08 43.46 -77.49 -37.91 97.96 0.05 1.99 0.11 2.54 95.16 0.01 2.14 0.00 0.02 0.01 58 C C T 62.15 6.18 14.48 22.14 101.46 21.16 -105.18 -8.62 98.72 0.07 1.21 0.26 2.69 95.58 0.02 1.40 0.00 0.03 0.02 59 M C C 122.34 5.54 14.30 21.71 93.92 -125.67 65.83 23.88 98.20 1.49 0.32 59.13 7.68 31.37 0.07 0.25 0.00 1.27 0.23 60 K C C 98.75 5.38 16.45 23.49 120.08 142.05 -85.06 147.40 68.03 31.95 0.02 65.43 1.83 0.07 0.00 0.01 0.00 32.02 0.64 61 T E E 78.39 8.71 17.30 27.14 117.76 -119.72 -90.18 135.24 0.79 99.21 0.00 0.82 0.02 0.00 0.00 0.00 0.00 98.25 0.90 62 V E E 31.72 17.15 14.40 31.58 126.07 -171.45 -122.25 141.00 1.42 98.58 0.00 1.40 0.03 0.00 0.00 0.00 0.00 98.40 0.17 63 A E E 61.33 7.10 20.69 28.30 118.08 -129.68 -89.36 142.22 31.96 67.93 0.11 24.60 5.79 0.73 0.02 0.10 0.00 68.35 0.41 64 G C C 27.62 8.83 19.85 29.42 134.42 44.08 139.17 -176.81 70.76 28.61 0.63 40.77 25.31 5.24 0.09 0.66 0.00 26.57 1.35 65 G C C 26.03 11.31 18.67 29.99 129.31 -88.91 109.11 175.74 79.52 17.97 2.50 54.47 17.18 8.13 0.49 2.43 0.00 13.59 3.71 66 A C S 45.42 14.56 15.69 29.60 98.38 -78.01 -73.38 -18.18 85.65 9.10 5.25 21.17 34.19 31.03 0.76 4.51 0.02 5.85 2.46 67 W C S 150.97 7.94 18.36 26.28 100.02 32.16 -93.38 -1.92 83.51 10.40 6.09 19.47 34.51 30.40 1.20 4.66 0.04 6.13 3.59 68 T C C 64.90 7.10 17.91 25.89 119.31 67.96 -114.30 133.20 81.62 12.43 5.95 40.46 26.56 15.40 1.66 4.25 0.03 6.78 4.85 69 Y C C 117.60 12.15 13.64 25.65 100.33 -137.61 -74.40 -6.74 87.09 7.58 5.33 32.17 25.66 30.43 1.73 3.14 0.02 4.32 2.54 70 N C C 100.87 5.23 17.02 23.19 104.82 67.99 -97.22 51.06 90.26 4.72 5.03 42.93 22.21 25.96 1.66 2.97 0.00 2.47 1.80 71 T C C 45.60 11.49 12.44 24.85 119.57 143.80 -97.00 153.05 81.30 5.36 13.33 53.25 23.56 3.91 12.00 2.04 0.01 1.83 3.40 72 T H H 95.38 3.20 18.61 21.88 93.62 -114.64 -63.77 -34.29 26.49 0.70 72.81 9.45 7.70 11.37 68.21 2.57 0.08 0.33 0.30 73 S H H 44.60 9.38 17.85 27.94 92.61 54.49 -66.07 -38.85 18.85 0.50 80.65 6.41 3.51 9.87 77.23 2.45 0.06 0.27 0.20 74 A H H 17.18 15.83 15.04 31.36 92.61 52.68 -65.70 -40.50 7.32 0.23 92.45 3.69 1.22 2.85 90.36 1.68 0.01 0.13 0.06 75 V H H 69.07 6.03 20.23 26.70 92.11 51.24 -64.93 -41.67 3.44 0.15 96.41 1.74 0.53 1.28 95.62 0.70 0.01 0.09 0.03 76 T H H 69.18 4.14 21.59 25.60 92.20 49.46 -65.44 -41.96 2.60 0.15 97.25 1.32 0.36 0.97 96.82 0.42 0.00 0.09 0.02 77 V H H 34.73 13.77 18.03 32.24 92.35 49.21 -64.94 -42.43 1.24 0.04 98.71 0.51 0.15 0.51 98.61 0.20 0.00 0.02 0.00 78 K H H 90.09 9.35 19.98 29.66 91.82 50.98 -63.16 -41.48 0.76 0.01 99.23 0.28 0.07 0.32 99.22 0.10 0.00 0.01 0.00 79 S H H 53.11 3.08 21.12 23.76 91.40 50.23 -64.07 -41.91 0.63 0.01 99.36 0.20 0.05 0.28 99.39 0.07 0.00 0.00 0.00 80 A H H 36.20 6.84 18.35 26.59 91.67 50.67 -64.58 -42.03 0.37 0.00 99.63 0.08 0.03 0.18 99.66 0.05 0.00 0.00 0.00 81 I H H 48.72 10.65 16.70 28.48 91.94 50.01 -64.20 -42.05 0.24 0.00 99.75 0.05 0.01 0.13 99.77 0.03 0.00 0.00 0.00 82 R H H 124.68 3.03 19.14 22.18 91.61 50.19 -63.55 -41.60 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 83 R H H 128.43 2.21 18.07 19.82 91.67 49.70 -64.63 -41.46 0.43 0.00 99.56 0.06 0.03 0.27 99.59 0.06 0.00 0.00 0.00 84 L H H 61.00 6.48 14.75 22.78 91.91 50.08 -64.63 -41.13 0.67 0.00 99.33 0.09 0.04 0.42 99.34 0.10 0.00 0.00 0.00 85 K H H 101.52 3.88 14.75 19.69 91.81 50.86 -63.87 -40.82 1.47 0.00 98.52 0.24 0.11 0.94 98.46 0.25 0.00 0.00 0.00 86 E H H 109.79 1.54 14.05 15.32 91.73 50.14 -64.98 -40.12 3.90 0.01 96.09 0.58 0.29 2.67 95.95 0.51 0.00 0.01 0.01 87 L H H 97.34 2.49 11.67 15.19 92.40 49.85 -67.27 -36.93 9.05 0.05 90.90 1.84 0.93 5.90 90.15 1.13 0.01 0.02 0.02 88 K H H 134.40 2.70 10.16 14.14 93.09 52.77 -69.46 -30.51 24.36 0.18 75.45 4.29 2.63 17.12 74.47 1.30 0.03 0.06 0.11 89 D C H 115.89 1.24 9.64 11.49 96.76 52.49 -83.67 -5.10 58.78 0.20 41.01 20.68 1.48 33.26 43.22 1.17 0.00 0.07 0.13 90 Q C C 128.87 2.51 10.01 14.11 103.92 97.02 -79.42 61.34 99.86 0.03 0.10 99.53 0.15 0.20 0.09 0.01 0.00 0.01 0.01