# 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 111.16 6.62 10.25 18.22 116.60 -157.96 -92.11 135.07 99.94 0.05 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.02 0.00 1 A C C 81.43 2.49 10.20 14.37 116.43 -152.18 -95.01 138.41 93.30 6.07 0.63 92.71 0.65 0.72 0.32 0.16 0.00 2.76 2.65 2 L C C 112.42 4.23 8.40 14.69 116.46 -126.84 -88.25 136.03 94.87 3.77 1.35 85.19 8.53 1.24 0.63 0.62 0.00 2.34 1.45 3 P C C 79.78 5.60 8.44 15.85 112.55 -108.79 -68.72 147.19 83.83 3.72 12.46 75.38 4.34 4.60 3.11 9.07 0.00 2.47 1.03 4 K C C 162.06 1.73 10.43 13.20 102.69 -132.84 -79.05 0.13 67.98 5.43 26.60 38.58 17.05 12.65 4.31 22.56 0.01 3.46 1.38 5 N C C 120.14 2.18 10.23 13.73 108.95 54.74 -95.46 106.98 63.26 7.63 29.11 33.86 16.46 13.87 4.45 24.46 0.02 5.19 1.68 6 L C C 110.01 4.77 10.04 16.21 101.26 138.01 -84.51 -6.73 70.26 9.04 20.70 42.46 18.14 10.06 4.50 16.27 0.02 5.43 3.10 7 I C C 76.24 9.15 8.47 18.70 118.47 65.56 -104.26 132.34 92.92 5.93 1.15 48.68 43.11 1.94 0.47 0.61 0.00 3.23 1.96 8 P C C 92.23 3.06 13.85 18.07 112.69 -109.24 -68.54 146.03 96.48 2.89 0.63 74.47 19.45 2.59 0.16 0.47 0.00 1.83 1.03 9 M C C 121.55 5.86 11.49 19.34 115.89 -119.94 -89.87 134.08 97.32 2.50 0.18 67.15 29.71 0.68 0.06 0.12 0.00 1.13 1.15 10 P C C 58.52 10.88 11.01 22.77 115.80 -107.06 -68.46 152.38 98.28 1.38 0.34 85.10 10.26 2.93 0.06 0.33 0.00 0.81 0.51 11 R C C 170.35 2.65 17.12 20.28 107.57 -127.89 -84.47 117.06 93.81 5.69 0.50 67.83 21.90 3.93 0.10 0.49 0.00 3.11 2.64 12 S C C 36.87 14.51 11.87 26.29 123.48 44.54 -100.61 147.85 88.15 11.40 0.45 62.48 22.21 3.49 0.08 0.48 0.00 9.27 1.99 13 R C C 115.08 7.95 20.26 28.75 117.13 -162.83 -108.08 138.91 69.91 29.90 0.19 42.27 26.77 1.56 0.03 0.20 0.00 27.83 1.34 14 F E E 51.93 16.94 16.28 32.99 123.75 -125.46 -108.09 143.52 21.77 78.18 0.05 19.42 1.61 0.10 0.01 0.04 0.00 77.53 1.29 15 L E E 31.07 15.15 19.22 35.01 122.56 -154.13 -113.52 139.06 6.69 93.30 0.01 5.92 0.48 0.01 0.00 0.01 0.00 93.44 0.14 16 R E E 101.15 9.44 22.57 32.37 112.38 -126.72 -85.87 127.16 1.57 98.42 0.00 1.40 0.08 0.00 0.00 0.00 0.00 98.50 0.02 17 V E E 12.64 21.04 15.74 37.01 125.29 -170.61 -122.33 139.10 0.76 99.24 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.26 0.02 18 K E E 90.97 6.80 22.69 30.06 118.42 -149.24 -106.95 131.20 2.49 97.51 0.00 2.42 0.06 0.00 0.00 0.00 0.00 96.89 0.63 19 C C C 10.44 19.06 10.77 30.65 109.18 -127.27 -78.05 122.47 85.64 14.35 0.01 86.43 0.45 0.03 0.00 0.00 0.00 12.63 0.45 20 I C T 105.91 4.43 16.73 22.49 93.76 -151.90 -67.66 -27.03 99.37 0.16 0.47 0.47 7.70 91.22 0.01 0.47 0.00 0.10 0.04 21 D C T 107.82 2.27 15.54 18.18 97.79 47.03 -78.50 -35.86 99.51 0.06 0.43 0.07 3.63 95.93 0.00 0.32 0.00 0.02 0.02 22 C C T 64.24 5.82 12.71 20.11 102.77 22.00 -107.06 -11.30 99.47 0.16 0.37 0.42 4.52 94.64 0.01 0.31 0.00 0.08 0.03 23 G C C 49.74 3.43 14.62 19.35 95.63 -119.10 78.76 5.93 98.74 1.14 0.11 87.48 8.91 2.34 0.03 0.08 0.00 0.71 0.46 24 N C C 68.70 6.66 13.88 22.44 118.61 138.16 -77.30 146.20 95.85 4.13 0.02 92.22 3.60 0.17 0.00 0.02 0.00 3.65 0.35 25 E E E 101.35 9.24 16.18 26.54 122.34 -142.96 -110.75 137.06 6.53 93.46 0.01 6.20 0.28 0.01 0.00 0.00 0.00 92.91 0.59 26 Q E E 46.30 15.29 15.98 31.58 130.77 -175.88 -132.55 148.61 0.75 99.25 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.30 0.01 27 I E E 75.12 9.43 21.18 31.34 117.81 -131.17 -99.59 130.51 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.01 28 V E E 24.05 18.46 15.90 34.57 121.97 -166.87 -114.68 132.73 3.31 96.68 0.00 3.21 0.06 0.00 0.00 0.00 0.00 96.63 0.10 29 F E E 75.20 10.59 18.36 29.77 118.67 -148.36 -100.57 137.74 24.31 75.63 0.05 21.66 1.67 0.16 0.01 0.04 0.00 75.75 0.72 30 S C S 56.07 9.72 17.14 27.16 103.50 -143.39 -89.96 -0.28 86.53 13.28 0.18 22.04 58.87 4.72 0.01 0.20 0.00 13.58 0.57 31 H C S 109.87 5.40 18.42 24.61 113.17 39.28 -110.83 108.86 93.59 6.07 0.33 39.43 49.70 4.92 0.04 0.37 0.00 4.49 1.05 32 P C C 46.62 15.34 11.65 26.86 109.20 -143.55 -70.50 132.64 93.80 4.95 1.24 42.11 23.74 28.12 0.12 1.43 0.00 3.61 0.89 33 A C C 73.49 5.06 18.13 23.90 99.78 38.63 -90.98 0.39 86.16 13.09 0.75 31.62 28.57 26.11 0.05 0.97 0.00 11.68 1.00 34 T C S 60.96 7.11 17.21 25.65 124.60 82.49 -112.21 143.89 70.68 29.24 0.09 32.28 39.13 0.84 0.01 0.08 0.00 26.41 1.24 35 P E E 71.96 8.17 19.47 28.14 113.90 -104.16 -68.59 142.82 49.12 50.85 0.02 48.27 0.88 0.05 0.00 0.01 0.00 49.93 0.86 36 V E E 13.15 21.68 13.59 35.30 122.58 -157.85 -115.06 134.95 14.77 85.21 0.02 13.88 0.78 0.03 0.00 0.01 0.00 84.01 1.29 37 R E E 122.54 5.10 23.91 29.61 118.96 -147.02 -107.02 132.86 5.42 94.56 0.02 5.16 0.20 0.01 0.01 0.01 0.00 83.26 11.35 38 C C C 9.70 21.04 10.60 32.00 110.42 -118.23 -70.10 129.26 79.58 20.38 0.03 80.83 0.40 0.05 0.01 0.01 0.00 17.39 1.31 39 L C T 100.57 5.13 18.23 24.54 93.13 -147.81 -70.68 -26.23 99.57 0.23 0.20 0.47 6.25 92.91 0.01 0.18 0.00 0.14 0.05 40 V C T 89.38 5.13 16.23 22.52 100.42 43.17 -84.09 -41.12 99.71 0.14 0.16 0.08 2.47 97.24 0.00 0.09 0.00 0.06 0.05 41 C C T 69.23 4.70 14.24 20.32 102.32 18.95 -106.60 -14.51 99.81 0.06 0.13 0.31 2.62 96.93 0.00 0.09 0.00 0.03 0.01 42 G C C 46.13 4.98 14.28 21.01 95.06 -122.18 78.46 7.67 99.36 0.52 0.12 88.59 6.04 4.73 0.03 0.08 0.00 0.34 0.19 43 A C C 48.47 5.99 16.02 23.94 118.04 145.44 -74.65 143.60 93.94 6.04 0.02 91.00 3.56 0.08 0.00 0.01 0.00 4.49 0.86 44 T E E 70.24 9.12 19.25 29.05 109.95 -110.53 -75.01 127.75 1.29 98.71 0.00 1.33 0.03 0.00 0.00 0.00 0.00 93.90 4.73 45 L E E 16.92 20.27 17.37 37.92 100.12 175.38 -95.62 -28.54 7.35 92.65 0.00 5.22 1.37 0.01 0.00 0.00 0.00 93.38 0.02 46 V E E 11.59 20.70 16.45 37.60 138.93 8.69 -147.58 150.03 0.47 99.53 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.52 0.02 47 E E E 100.01 5.51 24.19 30.37 122.38 -158.62 -123.62 132.91 0.92 99.08 0.00 0.87 0.02 0.00 0.00 0.00 0.00 99.08 0.03 48 P E E 46.55 17.60 11.08 27.84 113.56 -118.41 -71.86 137.78 8.29 91.69 0.02 7.56 0.38 0.05 0.01 0.01 0.00 91.80 0.20 49 T E E 82.07 3.91 15.83 21.24 122.49 174.82 -134.06 125.52 33.87 65.54 0.59 24.19 8.26 2.58 0.14 0.57 0.00 60.46 3.80 50 G C T 65.55 0.80 15.07 14.79 95.73 -18.74 60.51 32.92 96.13 2.34 1.53 2.39 29.25 64.55 0.04 1.73 0.00 1.71 0.34 51 G C T 49.14 5.79 14.07 20.89 96.39 -46.46 82.22 2.28 97.44 1.06 1.50 2.64 30.43 64.27 0.05 1.70 0.00 0.73 0.19 52 K E E 106.02 5.58 18.17 25.08 127.38 92.97 -118.33 146.03 33.33 66.32 0.35 19.56 13.28 2.84 0.07 0.35 0.00 60.83 3.06 53 G E E 10.90 19.25 13.05 32.11 117.81 -130.00 -82.90 144.75 20.61 79.34 0.05 17.89 1.56 0.18 0.01 0.03 0.00 79.97 0.35 54 I E E 69.20 8.29 23.71 32.51 121.57 -154.64 -116.37 130.70 5.57 94.40 0.03 4.92 0.39 0.04 0.01 0.01 0.00 94.43 0.20 55 I E E 18.61 22.26 15.05 37.19 119.19 -160.89 -107.78 129.10 5.47 94.51 0.02 5.24 0.22 0.03 0.01 0.01 0.00 93.99 0.51 56 K E E 96.41 6.39 24.68 31.26 116.37 -158.12 -103.80 129.07 25.08 74.85 0.07 22.65 1.49 0.16 0.02 0.05 0.00 75.13 0.51 57 A E E 16.49 21.66 12.67 33.59 132.18 163.01 -132.19 153.59 34.55 65.35 0.11 28.13 4.86 0.51 0.01 0.10 0.00 66.16 0.23 58 K E E 115.67 3.87 23.77 27.99 123.04 -141.35 -118.54 138.50 17.15 82.77 0.09 14.93 1.36 0.22 0.01 0.06 0.00 83.16 0.26 59 V E E 50.56 16.44 12.10 28.43 110.16 -119.19 -78.61 123.03 6.87 93.08 0.05 6.73 0.16 0.03 0.01 0.03 0.00 92.78 0.25 60 L E E 84.74 5.23 17.16 23.67 100.56 177.17 -94.10 -33.78 9.67 90.25 0.08 7.20 1.96 0.30 0.01 0.06 0.00 90.38 0.09 61 E E E 100.26 3.48 19.10 23.38 137.47 -1.47 -152.09 151.47 4.13 95.81 0.06 3.02 0.66 0.17 0.01 0.05 0.00 95.97 0.12 62 V E E 73.84 12.41 10.92 23.65 119.35 -149.05 -111.43 128.58 7.13 92.77 0.11 6.25 0.56 0.13 0.02 0.07 0.00 92.73 0.24 63 E E E 97.11 5.88 11.09 18.84 116.75 -159.41 -103.18 134.31 29.53 70.12 0.35 28.68 0.53 0.26 0.11 0.20 0.00 69.37 0.85 64 E C C 144.81 2.38 13.24 16.86 110.53 -119.28 -85.61 124.06 98.99 1.00 0.00 98.99 0.07 0.01 0.00 0.00 0.00 0.91 0.01