# 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 71.57 4.45 12.20 18.16 114.35 -131.23 -85.06 137.33 99.93 0.06 0.01 99.85 0.08 0.03 0.00 0.00 0.00 0.02 0.01 1 K C C 145.41 3.25 10.15 15.29 114.98 -135.48 -89.01 134.53 92.91 2.81 4.29 84.69 1.48 7.41 1.18 2.35 0.00 1.68 1.21 2 G C C 46.66 5.14 9.56 16.28 114.86 -132.68 -89.93 159.29 87.19 4.02 8.78 51.35 15.83 19.10 0.90 9.11 0.00 2.51 1.21 3 K C C 146.56 2.90 11.81 16.20 106.81 -128.19 -87.36 59.55 81.12 6.42 12.46 35.19 25.47 20.49 1.10 12.12 0.01 4.31 1.30 4 D C C 100.23 4.14 13.05 18.30 106.23 51.46 -90.15 72.79 74.09 14.83 11.08 42.76 17.64 13.74 1.14 10.63 0.01 12.62 1.46 5 V C C 55.09 11.67 10.86 23.47 117.88 111.81 -100.20 135.98 66.18 32.70 1.12 54.78 9.13 1.59 0.24 0.92 0.00 31.80 1.54 6 R E E 121.67 7.01 17.49 25.55 119.36 -160.27 -108.89 132.48 30.92 68.88 0.20 27.47 2.71 0.28 0.06 0.14 0.00 68.34 1.01 7 V E E 34.12 16.24 14.49 31.20 121.15 -161.02 -113.69 131.32 10.98 89.00 0.02 10.09 0.50 0.03 0.00 0.01 0.00 89.19 0.17 8 K E E 91.90 7.85 21.25 29.89 118.44 -158.21 -108.52 128.34 4.25 95.75 0.01 3.89 0.17 0.01 0.00 0.00 0.00 95.89 0.05 9 V E E 16.27 20.63 15.68 36.47 123.34 -169.21 -118.89 133.14 1.30 98.69 0.00 1.19 0.04 0.00 0.00 0.00 0.00 98.77 0.01 10 I E E 52.84 8.86 24.54 34.38 117.16 -156.20 -108.82 126.14 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 11 L E E 11.56 23.27 17.33 40.99 119.57 -164.87 -109.89 130.12 0.46 99.54 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 12 E E E 71.07 8.83 25.02 34.34 120.02 -162.00 -113.01 133.50 1.42 98.57 0.01 1.28 0.05 0.00 0.00 0.00 0.00 98.60 0.05 13 C E E 14.24 20.47 14.17 34.75 114.72 -142.69 -95.30 129.32 20.14 79.73 0.13 19.46 0.69 0.07 0.04 0.06 0.00 79.29 0.40 14 T C E 73.49 6.30 21.11 27.85 98.46 -164.44 -84.92 -20.02 48.84 28.23 22.93 24.34 15.17 12.89 7.12 14.05 0.15 24.39 1.90 15 G C T 34.78 6.56 19.44 26.49 100.21 53.33 -80.09 -19.07 49.55 15.35 35.10 13.98 17.35 21.16 12.97 19.77 0.54 11.40 2.84 16 C C C 32.61 15.36 13.94 29.30 103.09 79.40 -83.95 9.22 48.18 14.91 36.91 26.48 11.39 12.09 15.81 20.39 0.19 10.44 3.21 17 V C C 62.46 10.52 15.29 26.44 109.13 73.24 -94.53 37.94 55.61 18.62 25.77 36.40 10.98 8.18 16.89 9.04 0.19 12.18 6.15 18 R C C 137.10 5.46 14.37 20.85 107.32 67.77 -87.44 76.59 67.57 13.17 19.25 43.38 13.26 10.71 14.14 5.59 0.09 8.30 4.52 19 K C C 133.44 4.07 12.97 18.40 106.27 47.92 -86.97 43.38 75.21 7.24 17.55 35.60 19.42 21.21 11.22 5.78 0.08 4.04 2.65 20 S C C 66.76 5.34 10.94 17.72 109.16 90.07 -91.21 102.10 83.98 3.48 12.54 38.63 19.89 26.27 6.37 5.48 0.02 1.75 1.60 21 V C C 99.40 4.48 10.89 16.80 99.63 71.13 -79.89 -17.71 83.45 4.01 12.54 31.82 26.57 26.17 5.87 5.65 0.02 1.79 2.10 22 N C C 95.64 4.42 10.41 16.39 106.66 58.85 -94.70 76.74 85.50 3.94 10.56 43.42 23.46 19.17 4.09 5.77 0.01 1.68 2.39 23 K C T 144.38 3.37 10.73 15.81 102.29 -150.30 -69.70 11.80 73.23 1.98 24.79 15.90 16.45 41.52 6.59 17.28 0.03 1.00 1.23 24 G C T 56.50 2.21 13.27 16.21 100.01 33.87 -46.27 -5.98 74.14 1.79 24.07 14.58 16.72 43.40 5.61 17.71 0.02 0.97 0.99 25 S C C 56.12 8.10 10.68 20.02 110.53 90.92 -88.95 111.34 69.69 5.68 24.63 34.97 19.48 16.66 5.44 17.93 0.02 2.95 2.55 26 R C C 144.72 5.07 15.13 21.54 108.15 66.68 -90.68 94.05 77.81 10.33 11.86 46.43 15.64 16.28 3.76 7.76 0.02 6.72 3.39 27 G C C 26.43 10.37 15.28 26.44 113.76 -132.90 93.75 166.08 77.39 17.60 5.00 44.74 19.01 14.44 0.89 4.10 0.00 14.75 2.07 28 V C E 54.89 12.98 15.19 28.62 121.41 -104.29 -109.05 135.86 51.80 47.72 0.48 44.63 5.54 0.87 0.12 0.38 0.00 46.89 1.57 29 S E E 42.01 10.78 17.47 29.15 125.04 -164.14 -115.64 146.21 16.83 83.04 0.13 14.95 1.58 0.19 0.04 0.08 0.00 82.22 0.94 30 R E E 105.35 11.13 16.72 28.48 125.47 -156.92 -122.68 138.37 6.90 93.05 0.06 5.92 0.68 0.08 0.02 0.03 0.00 93.04 0.24 31 Y E E 70.98 12.39 16.15 29.63 125.05 -165.09 -120.48 138.88 3.25 96.73 0.02 3.05 0.14 0.02 0.01 0.01 0.00 96.67 0.11 32 I E E 75.43 9.22 17.61 28.10 121.71 -160.41 -115.46 132.88 2.93 97.05 0.01 2.82 0.09 0.01 0.00 0.00 0.00 96.96 0.10 33 T E E 36.45 12.90 14.44 28.57 127.54 -172.75 -123.60 147.67 5.93 94.04 0.03 5.41 0.33 0.03 0.01 0.01 0.00 94.04 0.17 34 Q E E 103.39 6.13 17.71 25.07 119.89 -145.34 -108.72 134.05 12.89 87.05 0.06 11.41 1.26 0.09 0.02 0.03 0.00 86.64 0.55 35 K E E 81.48 11.09 12.45 24.47 121.86 -148.34 -106.22 144.14 38.64 61.24 0.12 35.97 2.16 0.15 0.05 0.08 0.00 59.50 2.09 36 N C C 59.71 6.39 13.12 21.45 115.95 -117.36 -80.34 147.92 67.98 31.84 0.18 66.70 1.52 0.29 0.07 0.09 0.00 28.16 3.18 37 R C T 152.48 5.34 10.94 17.70 94.07 -112.75 -65.92 -23.81 95.37 1.39 3.24 5.06 17.86 72.40 0.37 2.92 0.00 0.99 0.41 38 H C T 153.91 1.19 11.77 12.88 98.03 57.46 -84.47 -8.10 96.49 0.68 2.84 3.23 18.42 74.81 0.24 2.60 0.00 0.41 0.29 39 N C S 104.91 3.98 10.35 15.76 105.41 46.27 -94.29 56.29 93.86 2.96 3.19 31.97 34.31 27.40 0.40 3.10 0.00 1.45 1.37 40 T C C 77.67 5.83 9.65 17.13 114.62 155.86 -97.91 125.43 97.06 2.53 0.41 74.47 21.25 1.39 0.14 0.26 0.00 1.19 1.31 41 P C C 78.79 5.53 11.06 18.30 113.01 -115.08 -69.02 149.81 92.38 2.87 4.75 69.36 13.46 9.24 1.21 3.81 0.00 1.67 1.26 42 S C C 74.87 4.35 11.46 17.36 111.78 -120.53 -81.26 132.75 85.59 4.41 10.00 59.09 15.48 10.83 2.74 7.54 0.00 2.64 1.67 43 R C C 154.00 4.38 12.00 17.89 100.79 -114.55 -82.68 -0.85 72.27 11.34 16.38 40.04 22.68 10.96 5.16 10.54 0.04 7.97 2.60 44 L C C 82.63 9.18 11.10 21.13 110.19 95.25 -89.02 113.62 54.07 22.64 23.29 38.35 9.93 6.88 6.12 16.24 0.03 20.10 2.35 45 E C C 104.49 6.04 15.38 22.57 112.75 -159.74 -93.42 124.58 45.65 33.45 20.90 34.95 7.00 5.08 6.06 13.68 0.03 31.36 1.84 46 L E E 64.53 13.29 11.79 25.25 115.09 -143.99 -91.42 128.79 40.37 43.03 16.60 33.10 4.43 3.52 5.17 10.49 0.01 41.74 1.54 47 R E E 125.88 7.54 16.31 24.91 116.96 -164.85 -107.11 131.11 33.15 61.87 4.98 25.22 6.37 2.43 2.05 2.41 0.01 60.50 1.02 48 K E E 100.11 8.29 17.21 26.30 124.87 -140.00 -119.89 143.20 20.94 76.27 2.79 14.59 5.10 2.35 0.89 1.58 0.01 74.64 0.84 49 F E E 81.70 11.02 14.94 26.96 120.74 -139.33 -101.35 141.15 14.24 85.01 0.75 11.16 2.30 0.46 0.52 0.39 0.00 69.27 15.91 50 C C C 21.12 13.80 11.37 26.86 110.26 -125.52 -89.08 124.18 81.17 18.73 0.10 78.52 2.17 0.28 0.02 0.06 0.00 17.82 1.13 51 P C T 85.89 4.44 15.93 21.80 92.83 -148.63 -66.30 -24.04 98.75 0.47 0.79 1.46 14.95 82.32 0.05 0.77 0.00 0.37 0.08 52 Y C T 141.66 4.63 14.38 19.49 98.50 48.59 -85.30 -34.00 98.61 0.55 0.84 1.07 14.03 83.60 0.05 0.77 0.00 0.36 0.12 53 C C T 52.49 7.32 11.51 20.41 104.57 30.25 -107.20 -7.56 88.03 10.44 1.52 15.26 18.03 55.67 0.18 1.49 0.01 7.89 1.48 54 Y C C 162.36 4.05 13.27 18.89 96.39 -132.52 63.29 12.94 80.52 18.80 0.68 40.81 23.54 15.70 0.11 0.63 0.00 17.83 1.37 55 K C E 117.83 3.07 16.65 20.78 125.82 108.11 -108.02 151.10 63.92 35.79 0.29 29.07 27.94 5.49 0.03 0.32 0.00 36.55 0.60 56 H E E 90.43 11.32 13.79 25.75 117.18 -113.18 -88.94 136.31 22.63 77.30 0.06 20.48 1.30 0.20 0.01 0.05 0.00 77.40 0.55 57 T E E 37.55 12.08 16.08 29.52 126.18 -169.69 -123.36 141.17 2.66 97.33 0.01 2.62 0.11 0.01 0.00 0.00 0.00 97.01 0.24 58 I E E 74.30 10.08 18.56 29.52 117.03 -133.83 -96.48 128.91 2.30 97.69 0.01 2.27 0.09 0.01 0.00 0.00 0.00 97.46 0.17 59 H E E 54.18 14.28 16.04 30.67 126.54 -173.65 -120.54 147.85 7.93 92.00 0.07 6.75 0.90 0.21 0.01 0.06 0.00 91.85 0.23 60 G E E 20.88 9.85 19.07 29.75 137.00 -102.77 -151.87 171.92 9.96 89.92 0.12 7.56 1.92 0.54 0.02 0.10 0.00 89.60 0.25 61 E E E 81.27 10.47 17.18 28.40 125.11 -112.09 -115.38 142.25 7.96 91.96 0.08 6.91 0.77 0.22 0.02 0.06 0.00 91.33 0.69 62 I E E 66.22 11.51 12.53 25.04 119.77 -156.91 -109.36 134.45 13.42 86.47 0.11 11.87 1.18 0.33 0.03 0.08 0.00 85.49 1.01 63 K E E 130.98 4.04 12.34 18.32 118.01 -151.05 -102.26 136.37 31.27 68.62 0.11 29.64 0.81 0.23 0.03 0.07 0.00 67.82 1.40 64 K C C 145.67 3.84 12.50 18.17 109.34 -113.65 -77.11 128.68 99.42 0.57 0.01 99.33 0.13 0.04 0.00 0.00 0.00 0.48 0.02