# 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 S C C 71.48 4.17 12.37 17.83 112.48 -153.16 -91.96 123.86 99.94 0.04 0.02 99.87 0.07 0.03 0.01 0.00 0.00 0.01 0.01 1 E C C 129.50 3.71 10.10 15.37 105.30 -115.40 -84.90 83.59 84.53 2.65 12.82 80.05 1.69 4.98 4.95 5.60 0.00 1.50 1.22 2 R C C 149.58 4.17 9.51 15.36 105.03 68.94 -81.39 48.81 67.48 3.72 28.80 38.62 12.29 16.98 5.28 23.30 0.01 2.27 1.25 3 N C C 109.81 3.66 11.33 16.38 101.74 55.06 -85.75 20.61 65.89 3.43 30.68 33.01 14.50 19.12 4.90 25.31 0.02 2.09 1.06 4 Q C C 106.43 5.48 12.12 19.12 109.61 101.56 -91.47 108.62 68.36 4.95 26.69 41.78 14.35 12.62 5.14 21.47 0.02 3.37 1.25 5 R C C 119.03 9.24 11.96 22.22 117.56 132.33 -95.36 135.76 81.34 12.54 6.12 60.25 15.98 5.46 2.10 3.92 0.00 10.69 1.60 6 K C C 102.18 7.87 16.33 25.19 118.36 -146.99 -100.23 138.02 65.44 32.81 1.75 54.83 7.53 2.12 0.60 1.08 0.00 32.42 1.42 7 V E E 67.20 11.55 16.74 28.77 120.62 -146.49 -107.27 133.12 37.85 61.77 0.38 33.29 3.58 0.53 0.12 0.23 0.00 61.31 0.94 8 Y E E 41.13 16.60 16.27 33.26 126.29 -170.75 -121.30 142.49 16.34 83.58 0.08 14.67 1.24 0.16 0.03 0.05 0.00 83.23 0.62 9 Q E E 90.01 8.35 22.82 31.81 122.78 -153.82 -115.89 136.49 9.37 90.59 0.04 8.28 0.62 0.07 0.01 0.02 0.00 90.73 0.27 10 G E E 9.38 18.66 16.92 35.48 142.39 149.46 -156.93 168.05 4.51 95.47 0.02 3.47 0.65 0.06 0.00 0.01 0.00 95.76 0.05 11 R E E 113.84 5.93 24.52 31.29 125.30 -98.08 -121.13 142.61 1.65 98.34 0.01 1.39 0.10 0.01 0.00 0.00 0.00 98.45 0.04 12 V E E 28.86 20.77 13.31 33.98 110.08 -115.42 -76.07 126.34 1.84 98.15 0.01 1.67 0.06 0.01 0.00 0.01 0.00 98.16 0.08 13 V E E 70.31 6.53 20.33 27.77 102.33 176.45 -100.47 -25.24 6.53 93.39 0.08 5.05 1.15 0.15 0.02 0.05 0.00 93.42 0.16 14 S E E 53.39 6.16 19.45 26.57 136.77 0.37 -149.47 152.22 20.33 79.43 0.24 13.62 5.91 0.88 0.05 0.17 0.00 79.04 0.34 15 D C E 67.24 12.86 12.05 24.94 117.54 -166.00 -124.10 120.27 52.22 47.12 0.66 41.46 7.50 1.74 0.12 0.53 0.00 48.08 0.57 16 K C E 138.48 3.51 15.11 19.64 101.16 168.70 -93.07 -5.18 63.73 34.65 1.61 23.83 29.49 11.41 0.19 1.50 0.01 32.37 1.21 17 M C S 93.57 6.04 11.94 19.47 119.63 78.84 -109.87 150.76 62.71 34.39 2.91 19.70 26.98 18.60 0.46 2.56 0.03 26.28 5.38 18 D C T 119.25 2.01 15.45 17.88 97.36 -76.14 -62.80 -13.05 98.57 0.47 0.96 3.44 32.81 62.38 0.07 0.87 0.00 0.30 0.13 19 K C T 111.82 8.60 14.77 23.88 99.62 11.37 -105.06 9.39 98.71 0.70 0.59 2.34 34.00 62.47 0.03 0.54 0.00 0.52 0.09 20 T E E 33.38 11.24 17.25 30.08 131.61 72.68 -130.22 146.47 17.61 82.32 0.07 12.16 5.09 0.50 0.01 0.06 0.00 81.30 0.89 21 I E E 12.14 19.53 16.90 37.32 122.17 -152.44 -115.46 135.01 3.79 96.20 0.00 3.43 0.11 0.00 0.00 0.00 0.00 96.41 0.05 22 T E E 25.45 10.83 24.30 36.60 119.06 -155.24 -109.49 130.40 0.55 99.45 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.52 0.00 23 V E E 5.55 23.15 17.65 41.47 120.22 -164.42 -114.19 130.27 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 24 V E E 33.54 9.75 24.29 35.44 117.20 -154.55 -105.58 127.98 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 25 V E E 11.67 20.03 16.39 36.96 123.13 -169.68 -119.22 133.69 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 26 E E E 73.31 8.56 21.19 30.51 117.99 -147.73 -100.45 131.00 1.09 98.91 0.00 0.95 0.04 0.00 0.00 0.00 0.00 99.01 0.01 27 T E E 25.65 14.12 15.11 30.41 130.22 176.71 -130.54 151.52 2.25 97.74 0.01 1.98 0.08 0.01 0.00 0.00 0.00 97.90 0.02 28 Y E E 107.56 8.19 16.47 25.96 119.34 -139.46 -107.19 132.48 2.06 97.93 0.01 1.73 0.14 0.01 0.00 0.00 0.00 98.07 0.04 29 K E E 84.97 8.11 15.16 24.77 128.01 -173.97 -127.23 146.22 2.19 97.79 0.02 1.82 0.16 0.02 0.00 0.01 0.00 97.94 0.04 30 K E E 121.89 4.54 13.47 19.74 114.70 -119.64 -87.95 130.89 3.58 96.38 0.04 3.21 0.28 0.04 0.03 0.02 0.00 95.83 0.60 31 H C C 50.24 10.51 7.79 19.86 110.23 -138.07 -88.85 119.42 51.35 48.55 0.10 49.98 0.97 0.20 0.03 0.06 0.00 47.86 0.90 32 T C T 114.64 0.94 11.68 12.66 93.35 -149.23 -66.32 -28.14 98.22 0.30 1.48 0.45 2.97 94.96 0.07 1.28 0.00 0.21 0.07 33 L C T 129.54 1.24 10.80 12.47 97.35 48.50 -75.22 -38.50 98.54 0.15 1.31 0.20 2.37 96.20 0.04 1.05 0.00 0.08 0.05 34 Y C T 133.18 3.09 10.00 14.52 101.61 23.56 -105.96 -11.28 98.82 0.16 1.02 0.43 2.39 96.19 0.04 0.82 0.00 0.09 0.04 35 G C C 52.95 2.36 11.12 14.96 95.98 -125.08 73.84 10.52 98.69 1.00 0.30 55.52 5.97 37.16 0.06 0.20 0.00 0.95 0.13 36 K C C 111.54 3.02 11.97 16.72 124.93 126.95 -108.43 151.08 70.90 29.06 0.04 66.18 2.61 0.21 0.01 0.03 0.00 30.61 0.36 37 R E E 139.69 6.02 11.58 19.60 117.02 -119.68 -90.26 134.79 1.35 98.65 0.00 1.22 0.05 0.00 0.00 0.00 0.00 98.61 0.11 38 V E E 49.32 9.41 12.43 23.87 125.09 -171.90 -122.36 142.35 0.45 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 39 K E E 123.23 6.17 14.33 22.53 119.52 -142.99 -103.62 133.93 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 40 Y E E 78.13 10.01 13.64 25.32 129.45 -176.99 -132.16 147.96 0.50 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.54 0.00 41 S E E 60.48 8.66 14.69 24.79 125.07 -152.46 -118.68 142.76 1.70 98.30 0.00 1.51 0.04 0.00 0.00 0.00 0.00 98.44 0.01 42 K E E 78.64 10.32 15.65 27.07 130.58 -173.79 -134.38 147.92 1.76 98.24 0.00 1.60 0.07 0.00 0.00 0.00 0.00 98.30 0.02 43 K E E 114.96 7.32 18.17 26.88 119.27 -136.61 -103.29 133.07 3.11 96.89 0.00 2.84 0.18 0.01 0.00 0.00 0.00 96.92 0.05 44 F E E 27.22 18.53 15.32 34.16 129.99 -173.71 -128.30 146.32 4.12 95.88 0.00 3.95 0.13 0.01 0.00 0.00 0.00 95.81 0.11 45 K E E 92.26 8.76 23.90 33.17 121.84 -144.60 -104.95 139.19 5.91 94.09 0.00 5.76 0.17 0.01 0.00 0.00 0.00 93.74 0.32 46 A E E 6.65 23.39 16.37 39.79 129.24 -173.84 -126.59 145.97 19.67 80.30 0.03 18.98 0.61 0.05 0.01 0.02 0.00 79.41 0.92 47 H E E 67.91 9.67 23.32 33.56 122.53 -149.11 -117.95 133.67 27.29 72.61 0.09 24.70 1.95 0.18 0.04 0.07 0.00 67.20 5.86 48 D C C 21.88 18.84 13.42 32.06 110.96 -165.36 -112.27 102.80 86.25 13.52 0.24 83.55 2.24 0.48 0.06 0.16 0.00 12.22 1.29 49 E C T 127.38 3.99 16.92 22.39 94.42 -168.33 -68.21 -26.92 96.04 1.33 2.63 20.82 17.55 57.03 0.19 3.14 0.00 0.89 0.38 50 N C T 109.35 2.24 17.52 19.56 96.19 42.34 -93.53 3.82 96.55 0.60 2.85 4.93 28.25 62.98 0.15 3.10 0.00 0.35 0.24 51 N C S 81.53 11.96 13.36 25.85 93.84 -121.23 62.34 33.28 96.02 1.93 2.05 31.56 55.21 8.85 0.19 2.28 0.00 1.04 0.85 52 Q C C 103.75 4.67 22.07 27.16 102.17 126.54 -97.99 8.76 94.41 5.15 0.44 87.83 4.73 1.58 0.13 0.33 0.00 2.20 3.19 53 A C C 7.91 24.41 10.63 34.24 124.40 134.52 -101.34 146.89 94.65 5.22 0.13 93.29 2.02 0.26 0.04 0.08 0.00 2.19 2.12 54 K C C 116.66 2.96 24.88 28.03 131.11 -164.62 -125.64 156.00 95.33 4.60 0.07 94.58 1.39 0.16 0.02 0.03 0.00 1.50 2.31 55 I C T 92.17 11.64 15.90 27.93 110.50 -81.73 -59.22 135.07 99.54 0.36 0.10 0.18 1.64 97.88 0.00 0.06 0.00 0.16 0.08 56 G C T 37.51 5.34 20.37 26.86 96.70 26.56 89.92 -7.41 99.92 0.05 0.03 0.27 1.64 98.02 0.00 0.02 0.00 0.03 0.00 57 D C C 28.55 14.56 17.19 33.04 117.92 133.27 -70.71 146.23 97.25 2.75 0.00 96.12 1.33 0.01 0.00 0.00 0.00 2.47 0.06 58 I E E 54.78 10.50 24.26 35.59 115.68 -128.94 -95.09 130.89 0.58 99.42 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.28 0.11 59 V E E 3.60 25.71 16.71 43.08 131.40 -175.02 -128.48 151.86 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 60 K E E 67.54 9.37 26.85 37.15 118.92 -131.98 -101.87 133.71 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 61 I E E 10.64 24.04 16.49 40.79 117.52 -148.20 -102.75 127.92 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 62 M E E 58.86 9.47 23.21 33.11 128.45 -173.68 -121.03 150.67 1.68 98.32 0.00 1.41 0.09 0.01 0.00 0.00 0.00 98.48 0.01 63 E E E 91.45 10.12 19.51 29.91 114.60 -106.89 -79.56 136.90 4.67 95.32 0.02 3.95 0.41 0.04 0.00 0.01 0.00 95.50 0.10 64 T E E 31.25 15.96 12.88 28.95 132.09 -175.67 -132.08 155.78 27.63 72.30 0.07 24.91 2.22 0.15 0.01 0.05 0.00 71.88 0.79 65 R C E 155.66 2.56 18.21 21.14 116.16 -112.20 -94.86 135.04 55.34 44.53 0.13 43.20 11.00 0.57 0.02 0.12 0.00 44.35 0.72 66 P C C 62.01 11.92 9.61 21.89 112.36 -109.96 -68.12 138.40 67.96 31.36 0.68 59.62 6.27 1.65 0.16 0.56 0.00 29.69 2.05 67 L C S 116.85 2.67 12.58 16.64 98.51 -160.17 -83.38 -28.24 87.14 11.93 0.93 26.24 50.02 11.37 0.14 0.87 0.00 9.45 1.91 68 S C S 57.02 2.37 13.98 16.81 136.53 2.74 -150.54 169.71 85.52 13.33 1.16 15.76 56.41 13.88 0.17 1.07 0.01 8.75 3.95 69 A C S 94.07 1.96 11.41 14.69 91.97 -94.83 -65.64 -24.60 98.14 0.58 1.29 2.58 57.84 37.95 0.09 1.04 0.00 0.31 0.20 70 T C S 96.36 2.59 14.00 17.16 100.42 49.09 -96.93 -9.38 97.06 2.10 0.85 4.16 56.51 36.68 0.06 0.75 0.00 1.53 0.31 71 K C C 70.23 11.37 13.43 25.75 120.85 57.60 -111.40 128.22 58.55 41.07 0.38 46.58 9.97 1.57 0.08 0.36 0.00 38.73 2.70 72 R E E 74.30 11.62 18.48 30.90 129.25 -175.20 -128.57 148.32 32.59 67.36 0.05 29.38 2.12 0.19 0.01 0.04 0.00 67.41 0.84 73 F E E 18.54 20.89 16.79 37.83 125.80 -154.43 -119.41 141.29 10.13 89.86 0.01 9.07 0.53 0.03 0.00 0.00 0.00 90.24 0.13 74 R E E 85.59 8.92 25.20 34.65 122.44 -154.46 -116.86 136.19 0.92 99.08 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.12 0.02 75 L E E 20.20 21.43 14.66 36.48 109.86 -117.92 -74.65 125.94 0.33 99.67 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.01 76 V E E 63.75 7.58 20.78 29.37 101.47 175.70 -97.34 -32.43 0.82 99.17 0.01 0.60 0.11 0.01 0.00 0.00 0.00 99.28 0.00 77 E E E 91.43 4.19 23.63 28.25 137.67 -1.66 -150.87 150.35 0.47 99.52 0.00 0.37 0.04 0.00 0.00 0.00 0.00 99.58 0.00 78 V E E 50.15 17.52 13.18 30.17 112.58 -132.16 -95.13 121.67 0.90 99.09 0.01 0.89 0.02 0.00 0.00 0.00 0.00 99.07 0.02 79 V E E 63.85 7.80 16.90 26.03 103.00 -175.38 -95.46 -29.86 8.44 91.47 0.09 7.17 0.88 0.11 0.02 0.05 0.00 91.63 0.14 80 E E E 107.48 5.01 17.19 23.43 130.32 -1.92 -142.39 146.26 18.20 81.36 0.45 14.25 3.46 0.82 0.09 0.31 0.00 80.68 0.38 81 E C E 112.23 8.36 11.99 21.73 119.03 -144.37 -106.12 134.03 49.57 49.50 0.93 39.88 6.35 2.17 0.15 0.79 0.00 49.99 0.68 82 A C C 60.78 7.49 10.17 19.10 114.37 -137.75 -88.68 138.24 78.92 20.52 0.55 74.79 1.48 1.90 0.11 0.39 0.00 20.20 1.13 83 V C C 104.17 4.03 12.18 17.94 114.92 -141.97 -101.18 130.70 99.78 0.22 0.00 99.80 0.04 0.01 0.00 0.00 0.00 0.14 0.01