# 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 111.24 6.71 11.93 20.09 116.16 -157.63 -97.89 132.78 99.82 0.17 0.01 99.81 0.07 0.02 0.00 0.00 0.00 0.07 0.02 1 S C C 80.34 3.41 10.27 15.63 117.80 -156.86 -99.60 144.28 91.49 4.80 3.71 83.27 2.03 5.99 0.65 3.25 0.00 3.02 1.78 2 G C C 53.71 3.30 9.32 14.32 114.26 -146.18 -104.86 166.41 90.36 5.04 4.60 48.33 21.78 20.06 0.52 4.63 0.00 3.01 1.66 3 Q C C 143.28 1.76 9.85 12.94 108.32 -87.22 -88.78 89.06 91.20 4.00 4.80 45.28 32.83 13.04 0.59 4.50 0.00 2.21 1.54 4 A C C 71.13 4.72 9.21 15.76 116.52 -153.82 -93.02 138.97 96.20 2.90 0.90 49.25 45.83 1.44 0.30 0.50 0.00 1.19 1.49 5 P C C 88.01 4.32 11.38 17.44 115.82 -107.71 -73.06 147.22 97.14 1.21 1.65 88.41 7.50 1.42 0.77 0.71 0.00 0.65 0.54 6 P C C 88.38 5.82 10.50 18.09 112.20 -104.50 -67.83 144.75 86.95 2.34 10.71 75.26 5.54 6.34 3.08 7.39 0.00 1.35 1.04 7 K C C 131.35 4.81 10.32 16.91 114.08 -128.21 -88.52 136.21 79.33 4.10 16.57 55.02 12.78 10.74 4.33 12.89 0.00 2.26 1.98 8 E C C 135.20 3.43 10.42 15.60 110.00 -128.49 -86.27 125.12 76.49 3.61 19.90 49.86 13.55 12.16 4.27 16.52 0.00 1.90 1.75 9 S C C 81.04 3.67 10.05 15.47 107.60 -150.36 -87.25 78.69 80.87 1.62 17.51 32.56 17.58 30.85 2.78 14.57 0.00 0.73 0.94 10 G C T 53.57 3.30 11.76 16.45 106.02 -28.21 -12.62 3.07 86.30 1.18 12.52 24.67 26.08 35.13 1.46 11.49 0.00 0.55 0.63 11 D C C 100.69 3.43 13.06 17.97 116.41 103.23 -93.22 137.54 90.92 2.57 6.51 42.06 39.92 8.80 1.02 5.52 0.00 1.14 1.53 12 Q C C 112.11 5.50 15.03 22.06 115.77 -107.81 -81.51 141.56 96.94 2.83 0.23 75.36 20.93 0.90 0.06 0.19 0.00 1.80 0.77 13 P C C 44.01 16.81 12.08 28.38 114.94 -108.01 -69.24 146.87 93.69 6.14 0.17 82.32 9.93 1.17 0.02 0.17 0.00 5.85 0.53 14 K E E 93.98 9.24 21.70 31.19 121.94 -144.87 -109.47 138.60 34.53 65.30 0.16 27.86 6.21 0.49 0.04 0.15 0.00 63.21 2.03 15 L E E 55.16 14.09 20.39 34.37 117.29 -121.31 -84.47 136.90 15.40 84.56 0.03 13.60 1.31 0.10 0.01 0.02 0.00 84.38 0.58 16 A E E 7.92 21.89 16.95 38.71 129.78 -163.05 -120.73 152.07 7.08 92.92 0.01 6.38 0.41 0.03 0.00 0.01 0.00 93.03 0.15 17 Q E E 76.55 7.80 25.17 33.53 120.49 -135.41 -109.70 132.66 2.96 97.03 0.00 2.68 0.12 0.01 0.00 0.00 0.00 97.13 0.06 18 V E E 24.74 20.76 13.49 34.41 109.32 -119.36 -76.28 122.96 0.72 99.27 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.29 0.02 19 I E E 83.18 5.43 19.90 26.39 100.44 175.11 -97.39 -32.87 1.39 98.61 0.00 0.89 0.24 0.01 0.00 0.00 0.00 98.84 0.00 20 K E E 107.09 3.18 22.24 25.73 136.24 -2.07 -152.00 150.30 0.63 99.36 0.00 0.40 0.09 0.01 0.00 0.00 0.00 99.50 0.00 21 I E E 72.08 15.67 12.24 27.52 112.31 -131.87 -96.34 122.06 0.33 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 22 I E E 84.40 6.29 16.68 24.32 101.46 -173.73 -97.10 -19.53 1.11 98.88 0.00 0.82 0.13 0.02 0.00 0.00 0.00 99.03 0.01 23 G E E 31.19 5.42 17.57 24.24 139.35 -38.83 157.48 172.82 2.96 97.04 0.01 1.98 0.65 0.06 0.00 0.00 0.00 97.28 0.02 24 R E E 136.29 6.66 12.67 21.30 124.41 -91.23 -117.41 143.97 7.57 92.40 0.02 6.93 0.39 0.03 0.00 0.01 0.00 92.11 0.52 25 T E E 81.94 5.69 10.78 18.30 119.46 -153.95 -108.52 139.73 36.20 63.54 0.26 30.95 4.37 0.57 0.08 0.20 0.00 61.46 2.37 26 G C T 46.66 2.36 11.72 15.27 126.08 23.98 112.25 -170.76 80.83 5.50 13.67 15.44 29.17 36.04 0.83 13.50 0.01 4.00 1.01 27 S C T 103.36 0.67 10.35 10.75 95.56 -66.31 -70.13 -19.84 82.87 0.73 16.41 3.40 20.00 57.87 0.66 17.28 0.00 0.41 0.38 28 R C T 181.81 1.17 10.54 12.09 99.44 53.47 -90.04 6.26 81.76 0.85 17.39 2.80 13.48 63.58 0.69 18.55 0.00 0.50 0.41 29 G C T 43.49 4.69 11.80 17.79 107.55 -86.35 86.03 2.34 88.13 2.75 9.11 16.99 24.10 46.71 0.68 9.01 0.00 1.76 0.74 30 G C C 37.06 5.53 14.07 20.85 109.33 100.30 77.53 0.14 76.83 22.14 1.02 50.16 14.85 11.42 0.16 1.00 0.00 20.96 1.45 31 V E E 54.70 11.03 13.68 25.85 122.65 50.19 -111.46 141.03 29.53 70.43 0.04 27.15 1.61 0.10 0.01 0.03 0.00 70.49 0.61 32 T E E 34.46 12.06 17.09 30.56 122.30 -156.55 -110.68 139.02 3.53 96.46 0.01 3.20 0.12 0.01 0.00 0.00 0.00 96.60 0.06 33 Q E E 57.24 11.63 19.70 32.15 120.47 -143.41 -105.62 137.24 0.85 99.15 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.24 0.01 34 V E E 12.23 19.26 16.72 36.69 125.68 -165.90 -120.60 139.05 0.49 99.51 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.00 35 R E E 77.41 9.22 23.47 33.48 117.69 -145.85 -103.58 130.96 0.35 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.00 36 V E E 10.34 21.85 15.87 38.00 123.33 -168.13 -115.81 137.43 0.97 99.02 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.11 0.01 37 K E E 75.66 8.03 23.25 31.92 119.61 -157.37 -111.03 130.94 1.31 98.68 0.01 1.16 0.05 0.01 0.00 0.00 0.00 98.75 0.03 38 I E E 29.94 17.14 14.52 32.19 115.32 -142.50 -94.26 128.38 7.44 92.40 0.16 6.64 0.52 0.12 0.05 0.08 0.00 92.33 0.25 39 L C E 61.40 8.45 15.46 25.60 115.24 -153.69 -95.58 134.37 50.42 47.83 1.75 36.67 10.48 3.59 0.37 1.26 0.00 46.81 0.82 40 D C C 86.98 6.02 12.47 19.92 110.44 -141.40 -92.07 114.97 71.05 25.87 3.08 38.77 23.19 10.42 0.57 2.49 0.01 22.83 1.72 41 D C C 86.76 5.28 10.50 17.28 108.74 168.03 -98.21 85.38 87.74 7.60 4.66 41.06 27.04 20.37 0.85 3.87 0.00 5.11 1.70 42 N C T 121.10 2.32 10.44 14.06 100.97 18.05 -81.27 -3.86 91.41 1.36 7.23 18.35 32.42 41.01 1.26 5.60 0.00 0.71 0.65 43 R C T 174.89 1.55 11.05 13.21 103.06 55.85 -88.78 -0.85 90.33 2.00 7.67 19.45 31.64 39.74 1.29 5.97 0.00 1.10 0.80 44 N C C 96.64 4.29 10.63 16.50 114.83 47.37 -108.70 130.84 86.79 6.75 6.46 30.55 30.11 27.05 0.97 5.35 0.00 4.50 1.46 45 D C C 95.93 5.52 11.99 19.05 112.51 -149.21 -94.35 118.00 81.44 15.63 2.93 45.79 19.48 16.32 0.39 2.77 0.00 14.05 1.20 46 R C C 105.72 8.33 13.42 23.13 122.38 148.91 -111.77 140.52 55.14 44.01 0.84 45.29 7.08 1.77 0.16 0.67 0.00 44.01 1.02 47 T E E 62.49 10.69 15.00 26.60 124.56 -159.74 -118.43 138.38 14.01 85.88 0.11 12.43 1.12 0.14 0.03 0.05 0.00 85.88 0.34 48 I E E 45.41 12.65 15.98 30.07 120.84 -160.95 -115.55 130.64 1.58 98.40 0.02 1.44 0.08 0.01 0.01 0.00 0.00 98.42 0.04 49 I E E 77.87 10.76 17.74 29.36 120.77 -162.61 -113.94 130.37 0.67 99.32 0.01 0.61 0.02 0.00 0.00 0.00 0.00 99.35 0.01 50 R E E 82.19 11.43 17.77 29.98 128.97 -173.75 -132.10 144.69 2.13 97.85 0.02 1.87 0.10 0.01 0.00 0.00 0.00 97.98 0.03 51 N E E 83.80 6.80 20.52 27.92 112.72 -122.31 -84.06 126.16 7.41 92.54 0.05 5.99 0.93 0.07 0.01 0.02 0.00 92.87 0.11 52 V E E 23.93 20.06 10.65 30.01 119.14 -161.67 -107.43 133.52 20.90 79.01 0.09 20.04 0.89 0.08 0.04 0.04 0.00 76.99 1.92 53 K C E 148.33 2.23 19.04 21.26 100.84 -162.14 -95.01 4.98 62.42 37.47 0.11 28.90 33.28 1.26 0.02 0.11 0.00 35.34 1.10 54 G C S 33.06 3.43 20.42 23.81 139.27 -4.60 157.27 -176.72 80.62 19.35 0.02 4.28 74.74 1.09 0.00 0.02 0.00 19.63 0.24 55 P C C 83.12 5.39 18.58 24.79 115.01 -44.81 -67.30 144.62 80.13 19.84 0.04 70.63 8.18 0.41 0.01 0.05 0.00 20.08 0.65 56 C E C 20.19 21.55 10.15 30.76 122.41 -152.16 -111.11 140.88 46.58 53.31 0.11 46.44 1.18 0.10 0.08 0.05 0.00 37.08 15.08 57 R C C 118.45 3.87 22.36 26.14 128.39 -164.75 -117.63 156.32 51.08 48.81 0.12 50.93 1.58 0.11 0.05 0.08 0.00 31.32 15.93 58 V H G 87.11 10.67 13.91 25.11 94.56 -98.89 -60.09 -31.01 20.74 0.98 78.28 1.45 2.15 17.08 4.87 73.61 0.00 0.72 0.12 59 D H G 109.15 2.89 19.02 22.24 92.89 54.07 -72.96 -7.64 18.83 0.78 80.39 1.43 1.94 14.83 5.32 75.78 0.00 0.60 0.10 60 D H G 44.94 14.28 15.91 30.29 98.96 70.80 -92.07 0.92 18.03 2.61 79.37 9.43 3.74 5.32 6.42 72.58 0.00 2.35 0.15 61 I E E 44.41 17.19 16.52 33.43 119.38 100.03 -101.27 132.65 17.52 69.40 13.07 13.65 2.77 1.76 11.24 2.83 0.06 64.00 3.69 62 L E E 43.54 15.20 19.46 34.65 121.88 -164.87 -113.28 140.38 10.26 79.35 10.39 7.78 1.15 1.03 9.65 1.44 0.01 77.95 1.00 63 A E E 41.04 12.14 21.58 33.75 120.35 -147.37 -108.32 135.67 14.23 74.94 10.83 11.03 1.42 1.08 9.31 1.59 0.00 74.89 0.67 64 L E E 35.81 17.79 15.60 33.33 110.79 -138.41 -89.09 122.19 36.48 42.29 21.24 27.65 4.30 2.94 17.28 3.62 0.01 43.13 1.07 65 M C H 86.46 7.99 18.70 27.16 107.17 -158.80 -84.17 49.15 41.84 21.51 36.65 29.55 6.65 5.01 30.84 5.85 0.03 20.75 1.32 66 E H H 98.60 5.93 17.78 24.24 101.31 39.52 -74.29 -29.08 42.69 11.35 45.97 29.94 6.72 6.08 39.98 6.22 0.02 10.12 0.92 67 T H H 47.98 9.04 14.82 25.15 97.38 84.08 -72.40 -37.27 32.57 4.40 63.02 25.28 4.12 4.51 56.54 5.34 0.01 3.65 0.56 68 E H H 88.31 7.05 15.20 23.42 93.36 57.22 -65.65 -39.89 11.83 0.87 87.29 7.90 2.03 3.11 82.97 3.18 0.01 0.63 0.17 69 R H H 127.77 2.51 16.51 19.07 92.71 51.29 -65.70 -40.79 7.59 0.44 91.97 4.08 1.35 2.84 88.14 3.14 0.03 0.31 0.11 70 E H H 87.51 3.69 14.97 19.77 92.46 50.53 -65.86 -39.90 7.94 0.42 91.64 3.94 1.33 3.19 87.57 3.55 0.03 0.29 0.11 71 A H H 36.89 6.70 11.27 20.17 91.90 52.50 -65.31 -39.25 9.41 0.27 90.32 4.39 1.46 3.75 85.59 4.54 0.01 0.17 0.09 72 R H H 142.10 2.36 12.76 16.05 92.06 52.84 -65.92 -37.78 16.06 0.31 83.63 5.27 1.95 8.44 76.71 7.30 0.02 0.18 0.12 73 R H H 162.30 1.40 11.69 13.45 92.66 53.26 -68.23 -31.91 30.07 0.43 69.51 6.80 3.00 19.57 63.29 6.88 0.03 0.23 0.19 74 L C H 109.04 3.14 9.33 13.93 95.40 53.35 -78.74 -14.89 49.98 0.73 49.29 22.91 1.92 24.05 46.34 4.02 0.00 0.34 0.41 75 R C C 164.73 3.01 11.82 16.41 101.42 73.20 -71.27 53.32 99.77 0.08 0.15 99.43 0.15 0.23 0.13 0.01 0.00 0.04 0.01