# 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 M C C 110.34 5.43 11.59 18.36 111.35 -156.44 -88.99 127.86 99.89 0.06 0.05 99.82 0.08 0.04 0.03 0.00 0.00 0.02 0.01 1 T C C 86.81 4.03 9.98 15.53 110.11 61.45 -86.77 110.93 73.38 1.77 24.85 67.10 1.42 6.13 19.11 4.50 0.00 1.01 0.72 2 E C C 126.62 3.25 10.13 14.82 102.37 58.28 -78.28 -3.96 63.24 2.71 34.05 41.45 11.19 10.67 25.28 8.86 0.01 1.52 1.02 3 E C C 117.52 3.91 10.80 16.14 101.21 66.08 -78.51 -6.04 59.03 2.83 38.13 41.10 8.68 9.25 26.86 11.41 0.01 1.71 0.98 4 R C C 129.92 6.37 10.54 18.20 98.94 64.49 -75.49 -21.40 54.57 2.25 43.18 32.66 9.42 12.73 29.20 13.79 0.03 1.27 0.89 5 N C C 102.01 4.54 12.35 18.25 99.79 57.89 -80.85 -6.36 61.33 1.63 37.04 28.41 12.54 20.83 23.32 13.21 0.06 0.83 0.79 6 Q C C 109.93 4.87 12.98 19.29 103.94 78.78 -86.76 26.05 70.14 2.25 27.61 35.48 16.74 18.56 15.58 11.42 0.03 1.22 0.97 7 R C C 117.45 9.32 12.10 22.37 116.10 108.05 -90.74 135.72 81.02 7.79 11.19 51.24 20.59 9.73 6.04 4.87 0.01 6.23 1.31 8 K C C 101.71 8.09 16.56 25.54 116.37 -140.05 -93.40 134.76 68.72 26.80 4.48 54.07 9.17 4.72 1.89 2.43 0.00 26.29 1.43 9 V E E 63.27 12.45 16.63 29.43 119.97 -147.17 -105.69 132.21 44.66 54.52 0.82 38.79 4.27 0.84 0.34 0.42 0.00 54.09 1.24 10 Y E E 41.98 16.76 16.52 33.61 124.60 -168.19 -116.85 140.16 21.96 77.87 0.17 19.81 1.48 0.24 0.06 0.10 0.00 77.49 0.82 11 Q E E 91.87 8.37 22.65 31.74 122.59 -154.18 -116.57 137.16 12.52 87.41 0.07 11.14 0.82 0.12 0.02 0.03 0.00 87.43 0.44 12 G E E 10.77 18.01 17.05 34.94 142.28 150.27 -156.96 168.68 6.24 93.73 0.02 4.81 0.95 0.09 0.00 0.01 0.00 94.08 0.07 13 R E E 115.57 5.86 24.28 31.04 125.20 -89.02 -120.17 141.63 1.94 98.05 0.01 1.64 0.12 0.01 0.00 0.00 0.00 98.16 0.05 14 V E E 29.83 20.69 13.29 33.90 110.29 -115.09 -77.12 126.27 1.99 97.99 0.02 1.82 0.07 0.01 0.01 0.01 0.00 98.00 0.09 15 V E E 69.53 6.69 20.31 27.92 102.49 176.37 -100.30 -25.32 6.80 93.11 0.09 5.29 1.19 0.16 0.02 0.05 0.00 93.10 0.19 16 S E E 53.06 6.48 19.28 26.71 136.76 0.40 -149.88 151.98 22.99 76.76 0.25 15.87 6.28 0.90 0.05 0.18 0.00 76.36 0.37 17 D C C 66.62 12.94 11.97 24.95 117.04 -167.51 -124.74 119.90 58.12 41.24 0.64 46.02 8.46 1.97 0.12 0.53 0.00 42.31 0.59 18 K C S 140.32 3.35 15.12 19.43 101.87 172.99 -94.00 0.46 69.96 28.38 1.66 26.79 31.58 12.46 0.22 1.53 0.01 26.06 1.35 19 M C S 95.38 5.91 11.99 19.42 121.15 89.92 -105.01 152.08 70.49 26.63 2.87 25.67 28.47 18.10 0.48 2.52 0.03 19.66 5.07 20 D C T 116.87 2.20 15.49 18.17 97.41 -82.46 -65.85 -18.10 98.31 0.59 1.09 4.67 37.37 56.36 0.08 0.98 0.00 0.38 0.16 21 K C T 108.41 9.10 14.93 24.38 100.26 11.11 -103.59 8.85 98.27 1.03 0.70 3.07 38.45 56.91 0.03 0.62 0.00 0.79 0.12 22 T E E 31.95 11.45 17.43 30.46 131.03 68.48 -130.86 147.52 18.41 81.51 0.07 13.35 4.72 0.52 0.01 0.07 0.00 80.42 0.90 23 I E E 11.68 19.78 17.00 37.62 122.87 -153.26 -115.87 134.97 4.21 95.79 0.00 3.81 0.12 0.00 0.00 0.00 0.00 96.01 0.05 24 T E E 25.88 10.72 24.59 36.75 118.91 -154.09 -109.18 130.22 0.52 99.48 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.54 0.00 25 V E E 5.36 23.37 17.67 41.74 119.99 -163.96 -114.00 130.31 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 26 V E E 32.20 9.77 24.44 35.66 117.69 -157.33 -108.50 127.22 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 27 V E E 11.39 20.38 16.34 37.24 122.43 -168.57 -117.19 132.46 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 28 E E E 77.02 8.28 21.68 30.57 118.38 -152.82 -104.57 131.96 1.78 98.21 0.00 1.58 0.07 0.01 0.00 0.00 0.00 98.34 0.01 29 T E E 25.81 14.57 14.96 30.55 130.34 174.99 -131.08 152.88 3.45 96.55 0.01 3.08 0.13 0.01 0.00 0.00 0.00 96.75 0.03 30 K E E 100.56 7.86 16.82 25.90 120.34 -138.03 -109.85 133.58 2.41 97.58 0.01 2.05 0.16 0.02 0.00 0.00 0.00 97.73 0.05 31 K E E 85.55 8.29 15.35 25.07 128.72 -175.07 -130.09 146.80 2.46 97.53 0.01 1.99 0.24 0.03 0.00 0.01 0.00 97.68 0.05 32 N E E 94.36 4.83 13.73 20.18 115.15 -118.14 -86.27 132.79 4.73 95.25 0.02 4.20 0.40 0.04 0.01 0.01 0.00 94.69 0.65 33 H C C 47.24 10.98 7.97 20.45 110.38 -136.73 -90.68 117.60 62.37 37.54 0.09 60.75 1.02 0.18 0.02 0.05 0.00 37.07 0.91 34 P C T 112.80 1.21 11.83 13.43 92.75 -149.31 -64.22 -27.26 97.97 0.27 1.76 0.43 3.08 94.57 0.07 1.60 0.00 0.18 0.07 35 I C T 131.50 1.35 11.13 12.98 97.62 47.41 -76.50 -38.37 98.25 0.16 1.59 0.21 2.55 95.71 0.05 1.33 0.00 0.09 0.06 36 Y C T 131.39 3.34 10.05 14.87 101.27 25.11 -105.08 -11.11 98.50 0.22 1.29 0.45 2.70 95.53 0.06 1.09 0.00 0.12 0.05 37 G C C 54.02 2.19 11.41 14.91 96.27 -125.54 75.05 9.33 98.22 1.40 0.38 51.97 6.92 39.27 0.07 0.27 0.00 1.32 0.18 38 K C C 111.34 3.00 12.00 16.72 126.18 116.70 -110.78 153.40 70.18 29.77 0.06 63.87 3.88 0.38 0.01 0.05 0.00 31.41 0.41 39 R E E 139.34 6.18 11.50 19.66 117.51 -119.37 -90.36 136.17 2.16 97.84 0.00 1.94 0.11 0.01 0.00 0.00 0.00 97.75 0.20 40 M E E 62.18 9.43 12.60 23.93 126.04 -170.65 -123.12 143.73 0.78 99.22 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.29 0.00 41 K E E 122.90 6.38 14.41 22.83 120.13 -144.21 -107.51 134.43 0.45 99.55 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.00 42 Y E E 75.98 10.33 13.71 25.66 129.71 -177.06 -132.69 149.06 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 43 S E E 60.03 9.01 14.71 25.15 125.98 -157.91 -123.17 143.61 1.38 98.62 0.00 1.21 0.03 0.00 0.00 0.00 0.00 98.75 0.01 44 K E E 78.91 10.09 15.94 27.18 131.37 -175.45 -136.50 148.12 1.54 98.46 0.00 1.36 0.07 0.00 0.00 0.00 0.00 98.55 0.02 45 K E E 114.08 7.71 18.07 27.13 119.57 -136.88 -103.83 133.81 3.03 96.97 0.00 2.75 0.18 0.01 0.00 0.00 0.00 97.02 0.04 46 Y E E 30.91 18.18 15.65 34.17 130.63 -174.59 -128.75 147.34 4.25 95.75 0.00 4.01 0.15 0.01 0.00 0.00 0.00 95.70 0.13 47 K E E 91.60 9.02 24.00 33.46 121.23 -142.42 -103.48 139.80 6.21 93.79 0.00 5.89 0.28 0.02 0.00 0.00 0.00 93.33 0.47 48 A E E 5.67 23.90 16.25 40.30 130.98 -173.98 -130.82 147.61 19.84 80.13 0.03 19.10 0.70 0.05 0.01 0.02 0.00 79.14 0.97 49 H E E 69.86 9.42 24.02 33.91 122.66 -150.54 -117.66 133.83 29.41 70.50 0.09 26.56 2.07 0.19 0.03 0.07 0.00 65.56 5.52 50 D C C 20.10 19.61 13.26 32.53 111.14 -164.20 -113.89 104.58 87.19 12.56 0.25 84.29 2.45 0.56 0.06 0.17 0.00 10.97 1.51 51 E C T 126.09 3.98 17.31 22.67 94.61 -164.45 -68.37 -26.90 96.78 1.21 2.01 21.11 19.18 55.98 0.15 2.40 0.00 0.82 0.35 52 N C T 109.06 2.33 17.65 19.81 96.48 40.73 -94.39 4.83 97.28 0.61 2.11 4.39 31.83 60.88 0.11 2.21 0.00 0.36 0.22 53 N C S 82.80 11.79 13.54 25.87 94.09 -122.08 62.95 32.97 96.34 2.29 1.37 28.46 60.48 7.23 0.13 1.47 0.00 1.31 0.92 54 T C C 77.56 4.90 21.94 27.28 100.61 122.95 -97.78 4.18 93.79 5.88 0.34 87.68 4.61 1.38 0.10 0.26 0.00 2.55 3.43 55 A C C 7.42 24.61 10.57 34.48 122.34 119.86 -94.91 145.24 93.87 6.00 0.13 92.60 2.06 0.27 0.04 0.08 0.00 2.55 2.40 56 K C C 115.43 3.01 25.03 28.27 131.33 -164.43 -126.59 156.98 94.71 5.22 0.07 93.93 1.53 0.18 0.03 0.03 0.00 1.74 2.56 57 V C T 81.07 11.80 16.16 28.29 110.52 -81.02 -59.35 135.48 99.57 0.33 0.10 0.19 1.71 97.83 0.00 0.05 0.00 0.14 0.07 58 G C T 36.91 5.47 20.55 27.22 96.87 26.88 90.08 -7.60 99.91 0.06 0.03 0.28 1.75 97.90 0.00 0.02 0.00 0.03 0.00 59 D C C 26.61 15.10 17.29 33.61 118.09 132.93 -71.10 146.12 96.92 3.08 0.00 95.61 1.53 0.02 0.00 0.00 0.00 2.78 0.07 60 I E E 53.56 10.71 24.41 35.95 116.44 -130.43 -97.90 130.99 0.60 99.40 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.27 0.10 61 V E E 3.51 25.79 16.95 43.47 130.07 -173.88 -126.68 150.18 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 62 K E E 65.01 9.63 26.93 37.56 118.40 -132.73 -99.58 132.27 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 63 I E E 8.09 24.71 17.00 42.03 119.93 -158.31 -108.72 130.84 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 64 M E E 54.64 9.87 24.08 34.44 130.28 -174.53 -126.12 149.88 0.62 99.38 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 65 E E E 84.29 12.19 18.69 30.85 114.49 -116.59 -78.85 136.93 3.15 96.84 0.01 2.84 0.17 0.02 0.00 0.00 0.00 96.89 0.08 66 T E E 32.18 14.41 13.39 28.39 130.71 -174.58 -126.63 155.50 38.41 61.53 0.06 34.89 2.29 0.15 0.01 0.05 0.00 62.02 0.60 67 R C C 160.54 2.32 17.21 19.92 114.25 -105.95 -88.35 136.60 68.77 31.03 0.20 50.43 16.60 1.02 0.03 0.18 0.00 30.97 0.76 68 P C C 66.80 10.96 9.22 20.73 112.30 -106.11 -67.13 140.76 80.34 18.66 0.99 61.77 14.17 3.95 0.21 0.83 0.00 17.46 1.62 69 L C S 126.22 1.98 12.19 15.12 98.67 -164.63 -84.89 -27.86 86.84 12.00 1.16 29.25 48.05 10.20 0.22 1.04 0.00 8.48 2.76 70 S C S 57.58 2.47 13.22 16.38 135.69 5.75 -148.28 166.10 88.21 10.53 1.26 28.51 49.57 10.59 0.24 1.12 0.00 6.34 3.63 71 A C S 92.38 2.30 11.05 14.79 92.83 -98.86 -67.28 -22.54 97.53 0.69 1.78 4.31 63.41 30.21 0.21 1.23 0.00 0.39 0.23 72 T C S 95.88 2.55 14.21 17.26 100.62 53.45 -92.81 -9.99 95.39 3.16 1.45 6.36 61.82 27.64 0.16 1.11 0.00 2.43 0.49 73 K C C 74.94 10.80 13.83 25.61 118.36 47.32 -108.19 128.35 60.81 38.47 0.72 48.59 9.27 2.33 0.16 0.60 0.00 36.98 2.09 74 R E E 69.59 12.23 18.19 31.18 128.84 96.45 -125.01 146.64 30.33 69.51 0.15 26.75 2.60 0.32 0.06 0.09 0.00 69.29 0.91 75 F E E 19.69 20.68 16.96 37.80 125.74 -152.16 -120.07 141.32 8.27 91.63 0.10 7.38 0.48 0.05 0.07 0.02 0.00 91.86 0.14 76 R E E 82.30 9.48 25.22 35.18 123.87 -155.55 -118.19 137.34 0.99 98.87 0.14 0.90 0.04 0.01 0.16 0.01 0.00 98.84 0.03 77 L E E 19.83 21.54 14.90 36.81 109.88 -117.43 -74.92 125.61 0.50 99.41 0.09 0.49 0.01 0.00 0.10 0.01 0.00 99.37 0.02 78 L E E 69.91 7.87 20.78 29.59 101.38 176.11 -96.51 -34.18 1.40 98.29 0.31 1.05 0.18 0.03 0.17 0.05 0.00 98.51 0.02 79 E E E 94.93 3.80 23.67 27.76 136.96 -2.24 -150.17 148.90 1.01 98.71 0.28 0.80 0.09 0.02 0.13 0.04 0.00 98.90 0.01 80 V E E 51.13 17.56 12.75 29.72 111.11 -126.50 -87.10 121.02 2.08 97.47 0.45 2.01 0.07 0.03 0.35 0.07 0.00 97.41 0.06 81 V E E 67.23 7.01 17.22 25.63 101.93 177.15 -94.26 -32.97 14.53 84.15 1.33 11.28 2.69 0.53 0.82 0.38 0.00 84.02 0.29 82 E E E 98.67 4.97 18.17 24.31 135.79 -2.16 -149.37 150.31 21.93 76.35 1.72 17.05 4.24 1.22 0.87 0.73 0.00 75.36 0.53 83 E C E 110.44 9.21 13.52 23.88 119.78 -141.72 -100.86 134.98 50.06 46.48 3.46 41.29 5.48 2.33 1.49 1.64 0.00 47.05 0.71 84 A C C 47.06 10.76 11.17 22.71 118.01 -142.41 -96.14 141.37 68.31 27.95 3.74 52.28 10.50 3.95 1.28 2.19 0.00 28.83 0.98 85 V C C 95.66 4.64 11.67 18.11 117.88 -146.90 -105.53 129.59 64.47 32.39 3.14 51.75 8.50 3.05 1.16 1.79 0.00 32.29 1.45 86 I C C 111.22 4.96 10.09 16.96 114.15 -145.20 -96.93 123.35 68.74 30.01 1.25 65.49 1.26 1.25 0.59 0.49 0.00 28.62 2.30 87 I C C 98.32 6.99 11.15 19.64 112.33 -161.91 -94.61 119.56 99.48 0.51 0.00 99.53 0.05 0.01 0.00 0.00 0.00 0.40 0.01