# 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 G C C 47.20 4.07 15.05 20.35 115.20 -139.08 102.05 162.55 99.94 0.05 0.01 99.84 0.08 0.05 0.00 0.00 0.00 0.03 0.00 1 S C C 73.49 5.60 11.64 18.88 115.47 -82.61 -100.09 135.58 95.02 3.70 1.27 85.61 2.46 7.03 0.21 0.88 0.00 3.14 0.66 2 H C C 116.20 5.81 12.72 19.95 111.53 -170.47 -98.05 116.46 81.72 16.78 1.50 47.30 22.80 11.06 0.14 1.65 0.00 16.19 0.87 3 M C E 96.66 8.19 14.77 24.12 123.55 -159.33 -111.21 139.88 54.08 45.16 0.76 41.73 9.45 1.63 0.09 0.71 0.00 45.78 0.60 4 M E E 35.55 15.52 14.04 30.30 126.70 -167.84 -122.15 141.83 11.10 88.83 0.07 9.77 0.97 0.12 0.01 0.05 0.00 88.88 0.21 5 Q E E 88.82 7.28 21.26 29.15 116.52 -139.14 -100.05 128.67 2.12 97.87 0.01 1.94 0.08 0.01 0.00 0.00 0.00 97.93 0.04 6 I E E 11.72 21.86 14.93 36.92 126.00 -171.87 -121.98 138.20 0.57 99.43 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.00 7 F E E 65.78 8.28 23.98 33.18 116.30 -146.64 -101.87 127.07 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 8 V E E 7.17 23.21 15.91 39.43 123.94 -169.25 -118.54 135.42 0.27 99.73 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.00 9 K E E 84.10 7.25 22.92 30.73 115.62 -144.67 -102.66 125.04 1.41 98.58 0.01 1.26 0.06 0.01 0.00 0.00 0.00 98.57 0.09 10 T C C 15.11 17.58 13.06 31.11 124.24 -148.42 -89.41 166.92 65.51 34.40 0.08 63.84 0.90 0.14 0.01 0.05 0.00 34.03 1.03 11 L C T 91.99 9.27 14.59 24.88 91.45 -100.09 -63.78 -23.00 98.31 1.12 0.57 1.09 7.40 89.87 0.02 0.58 0.00 0.94 0.11 12 T C T 87.50 3.58 14.90 19.44 93.88 58.26 -86.86 -0.43 99.26 0.24 0.50 0.73 7.54 91.01 0.01 0.50 0.00 0.15 0.05 13 G C S 50.39 3.12 14.57 18.75 97.89 -101.01 87.70 4.20 98.92 0.75 0.33 16.11 81.27 1.68 0.03 0.25 0.00 0.45 0.20 14 K C C 103.68 4.82 14.44 21.15 118.07 133.67 -80.37 143.51 96.87 3.11 0.02 95.39 1.58 0.11 0.00 0.01 0.00 2.72 0.19 15 T E E 77.37 9.16 14.30 25.04 123.36 -148.74 -116.00 137.41 1.96 98.04 0.00 1.89 0.06 0.00 0.00 0.00 0.00 97.87 0.18 16 I E E 34.01 14.69 15.38 31.19 125.17 -171.35 -124.06 137.23 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 17 T E E 75.80 8.18 19.36 28.86 120.82 -154.46 -111.20 132.19 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 18 L E E 23.28 18.46 15.29 33.98 128.85 -175.98 -129.81 142.74 0.64 99.36 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.00 19 E E E 113.71 5.50 23.31 29.84 116.53 -139.98 -97.38 128.39 1.59 98.41 0.00 1.42 0.06 0.00 0.00 0.00 0.00 98.50 0.02 20 V E E 10.84 22.14 13.41 35.48 133.26 176.89 -136.40 154.73 11.95 88.05 0.00 12.21 0.13 0.00 0.00 0.00 0.00 86.75 0.91 21 E C C 94.68 4.31 24.67 28.58 116.46 -114.28 -79.92 145.00 90.41 9.59 0.01 91.15 0.25 0.02 0.00 0.00 0.00 8.33 0.25 22 P C T 37.57 19.52 13.37 32.41 91.10 -115.46 -60.93 -24.86 99.54 0.22 0.25 0.29 1.95 97.41 0.01 0.19 0.00 0.13 0.02 23 S C T 79.84 2.82 21.38 24.56 92.34 58.65 -88.82 -2.97 99.68 0.11 0.21 0.36 1.93 97.42 0.01 0.20 0.00 0.07 0.01 24 D C C 31.48 13.94 14.79 30.12 117.65 115.19 -70.46 143.77 98.53 1.37 0.10 71.90 26.75 0.18 0.02 0.07 0.00 0.71 0.37 25 T E B 45.38 7.10 24.11 31.65 123.06 -124.98 -84.97 161.09 16.22 83.69 0.08 12.22 0.29 0.01 0.07 0.00 0.00 3.57 83.83 26 I H H 11.27 24.36 14.51 39.37 90.55 -111.53 -58.09 -39.47 2.17 0.02 97.81 0.25 0.25 1.60 97.42 0.46 0.01 0.01 0.01 27 E H H 108.64 5.68 22.39 28.84 91.13 55.01 -62.68 -40.68 0.93 0.00 99.07 0.09 0.06 0.68 98.84 0.33 0.00 0.00 0.00 28 N H H 81.50 3.92 24.25 27.90 92.03 48.68 -65.83 -40.10 0.59 0.01 99.41 0.13 0.06 0.36 99.06 0.39 0.00 0.00 0.00 29 V H H 4.86 23.00 17.35 40.62 91.72 49.89 -64.50 -43.54 0.37 0.00 99.63 0.08 0.03 0.20 99.54 0.15 0.00 0.00 0.00 30 K H H 56.04 17.44 19.87 36.13 91.42 52.22 -61.88 -42.76 0.27 0.00 99.73 0.04 0.02 0.15 99.73 0.06 0.00 0.00 0.00 31 A H H 52.95 2.79 23.21 25.12 91.36 50.77 -63.14 -42.54 0.53 0.00 99.47 0.05 0.03 0.37 99.44 0.11 0.00 0.00 0.00 32 K H H 85.41 5.89 21.84 28.11 92.00 49.34 -65.39 -41.17 1.36 0.01 98.63 0.13 0.08 1.02 98.58 0.18 0.00 0.00 0.00 33 I H H 7.51 20.92 13.77 35.20 91.89 49.37 -64.67 -42.74 3.00 0.06 96.94 0.46 0.39 2.03 96.79 0.28 0.01 0.02 0.02 34 Q H H 76.73 9.79 15.59 26.11 92.34 50.39 -64.39 -41.18 6.67 0.14 93.19 1.39 0.82 4.20 92.99 0.47 0.02 0.06 0.05 35 D H H 118.37 0.88 17.38 16.51 93.65 46.51 -69.77 -36.99 12.85 0.10 87.05 1.50 1.40 9.72 86.55 0.72 0.03 0.04 0.04 36 K H H 127.03 3.77 15.18 19.99 98.49 38.97 -81.33 -35.07 25.01 0.12 74.88 1.26 3.25 20.20 74.14 0.98 0.06 0.03 0.08 37 E H H 89.10 8.57 13.16 22.66 101.27 23.82 -104.03 -8.73 31.30 0.25 68.45 2.86 8.49 20.20 67.34 0.78 0.10 0.06 0.19 38 G C C 57.75 1.63 17.99 19.27 95.38 -118.39 76.45 15.50 99.74 0.11 0.15 70.70 13.09 15.95 0.06 0.09 0.00 0.05 0.06 39 I C C 29.67 15.99 9.54 25.97 116.95 144.46 -91.43 133.56 99.64 0.35 0.01 89.96 9.58 0.04 0.01 0.00 0.00 0.08 0.32 40 P C C 60.62 3.68 20.72 24.48 112.69 -109.93 -65.00 144.80 99.94 0.04 0.02 99.75 0.19 0.02 0.00 0.00 0.00 0.01 0.01 41 P H G 55.54 16.54 11.65 27.56 91.95 -118.45 -58.21 -35.33 10.78 0.07 89.15 1.08 0.89 6.45 0.45 91.10 0.00 0.04 0.00 42 D H G 114.89 2.12 18.85 21.36 90.72 61.70 -70.64 -13.94 10.69 0.11 89.20 0.57 0.81 7.45 0.42 90.67 0.00 0.07 0.00 43 Q H G 89.43 7.60 18.15 26.69 96.99 56.33 -96.79 0.17 10.96 0.42 88.61 2.02 1.53 5.43 0.47 90.21 0.00 0.33 0.02 44 Q C C 25.43 21.26 13.49 34.24 120.24 96.71 -96.03 139.41 54.34 45.07 0.59 47.09 7.25 0.45 0.18 0.44 0.00 42.56 2.04 45 R E E 96.05 8.96 25.98 35.34 128.23 -171.25 -126.63 141.29 8.41 91.51 0.08 8.57 0.28 0.04 0.04 0.03 0.00 90.33 0.70 46 L E E 6.23 24.74 17.47 42.78 116.48 -141.06 -100.09 128.80 2.46 97.52 0.02 2.13 0.20 0.02 0.01 0.01 0.00 97.58 0.05 47 I E E 33.63 11.19 23.62 36.00 124.03 -167.92 -118.65 135.86 0.89 99.09 0.02 0.75 0.08 0.02 0.01 0.01 0.00 99.08 0.05 48 F E E 29.94 19.26 14.66 33.68 120.50 -171.76 -126.15 124.08 1.72 98.21 0.07 1.15 0.44 0.16 0.02 0.03 0.00 97.66 0.55 49 A C T 62.85 8.94 15.63 25.75 93.73 -18.62 53.48 42.97 99.21 0.51 0.28 0.37 2.47 96.59 0.02 0.18 0.00 0.34 0.03 50 G C T 61.58 1.75 15.80 17.76 95.32 -47.98 80.90 2.57 99.71 0.13 0.16 0.44 3.03 96.30 0.01 0.13 0.00 0.09 0.01 51 K E E 120.26 3.53 15.70 21.02 124.18 105.05 -111.77 141.73 3.80 96.16 0.03 2.18 1.41 0.22 0.01 0.02 0.00 95.19 0.96 52 Q E E 113.46 5.85 16.61 24.21 114.21 -119.89 -78.56 133.70 4.91 95.06 0.02 4.30 0.41 0.04 0.01 0.01 0.00 94.29 0.94 53 L C C 18.52 22.02 9.02 30.04 115.64 -122.92 -81.48 136.21 76.12 23.84 0.04 75.26 0.92 0.09 0.01 0.02 0.00 23.06 0.64 54 E C C 127.47 2.53 20.80 23.10 118.37 -141.52 -95.85 141.94 98.68 1.23 0.09 97.70 0.95 0.26 0.02 0.05 0.00 0.68 0.35 55 D C T 98.27 7.61 13.85 22.78 107.95 -90.11 -61.20 131.49 99.22 0.27 0.50 1.17 3.97 94.16 0.07 0.39 0.00 0.15 0.10 56 G C T 52.19 3.54 17.70 22.02 96.09 20.13 86.61 -2.46 99.50 0.15 0.36 1.81 3.51 94.18 0.04 0.34 0.00 0.10 0.02 57 R C C 85.06 9.41 15.45 26.31 119.50 126.98 -80.54 146.85 95.65 4.22 0.13 75.66 20.07 0.32 0.03 0.11 0.00 2.59 1.22 58 T E B 38.15 8.87 20.75 30.69 122.75 -129.63 -89.11 157.04 16.04 83.87 0.10 11.62 0.51 0.03 0.07 0.01 0.00 7.05 80.70 59 L H G 9.77 24.61 12.81 37.72 91.35 -111.84 -59.69 -35.94 31.32 0.77 67.91 2.62 3.42 24.82 5.25 63.16 0.01 0.51 0.21 60 S H G 64.38 7.30 18.08 26.39 91.37 60.23 -65.17 -32.11 23.86 0.13 76.01 0.82 1.38 20.65 5.81 71.22 0.00 0.08 0.04 61 D H G 102.07 2.62 19.06 21.83 91.69 56.66 -71.90 -22.92 20.69 0.12 79.18 1.02 1.70 17.27 7.31 72.59 0.00 0.07 0.04 62 Y C G 52.97 16.78 12.72 29.18 98.92 52.92 -99.05 6.31 56.08 0.58 43.34 4.49 14.46 36.29 7.27 36.68 0.02 0.28 0.51 63 N C T 117.91 2.46 22.29 24.63 95.24 -120.48 59.26 41.67 95.78 1.41 2.80 21.55 6.46 68.16 0.70 1.86 0.00 0.78 0.49 64 I C C 14.73 24.20 8.67 31.69 114.63 169.35 -84.23 130.71 91.43 7.97 0.60 89.04 2.08 0.37 0.30 0.19 0.00 2.79 5.23 65 Q C C 105.12 3.22 21.58 24.76 125.21 -165.21 -112.91 160.02 95.83 3.38 0.79 93.91 1.42 0.74 0.28 0.31 0.00 1.73 1.61 66 K C T 128.43 6.85 16.02 23.88 103.94 -87.09 -64.19 126.45 93.41 2.68 3.91 2.74 12.38 78.71 0.51 3.13 0.00 2.10 0.43 67 E C T 134.01 3.59 18.73 22.82 97.08 22.37 2.48 14.81 93.77 2.64 3.60 4.19 10.52 78.74 0.33 3.33 0.00 2.69 0.20 68 S C C 22.93 15.02 13.62 29.34 117.90 131.60 -78.88 149.40 90.59 8.22 1.19 72.41 16.44 1.43 0.15 1.20 0.00 7.76 0.62 69 T E E 56.78 8.97 22.71 32.26 120.51 -139.48 -111.31 133.79 19.00 80.89 0.12 17.94 1.02 0.15 0.03 0.08 0.00 80.07 0.71 70 L E E 9.99 24.03 16.36 40.52 122.97 -165.86 -115.40 134.08 2.01 97.98 0.02 1.98 0.09 0.01 0.00 0.01 0.00 97.80 0.10 71 H E E 68.15 9.72 25.65 35.78 118.27 -156.38 -107.44 127.11 1.05 98.94 0.01 1.03 0.05 0.01 0.00 0.01 0.00 98.89 0.02 72 L E E 12.07 23.41 17.38 40.85 119.29 -164.05 -109.52 128.36 1.13 98.86 0.01 1.11 0.04 0.01 0.00 0.01 0.00 98.81 0.02 73 V E E 44.85 9.77 24.14 34.68 119.95 -165.42 -115.03 129.06 1.85 98.14 0.01 1.80 0.06 0.01 0.00 0.00 0.00 98.08 0.04 74 L E E 28.58 19.33 16.45 35.54 122.42 -164.60 -112.08 132.27 4.71 95.27 0.02 4.62 0.16 0.02 0.00 0.01 0.00 95.05 0.14 75 R E E 114.56 7.08 20.06 28.02 118.71 -157.34 -105.58 130.01 16.39 83.53 0.08 15.44 0.75 0.11 0.02 0.05 0.00 83.22 0.40 76 L E E 61.88 14.24 11.40 25.71 115.72 -145.06 -90.78 133.26 49.28 50.05 0.67 42.24 4.66 1.48 0.16 0.52 0.00 49.51 1.42 77 R C C 153.06 3.88 12.82 18.41 114.10 -133.32 -87.21 134.29 74.72 23.99 1.29 43.46 16.75 15.33 0.23 1.22 0.00 21.08 1.92 78 G C C 60.95 1.49 12.61 14.44 106.48 9.35 81.46 0.09 92.34 6.82 0.85 61.52 11.73 19.22 0.10 0.81 0.00 5.67 0.96 79 C C C 80.30 7.17 11.61 19.79 109.42 53.78 -93.49 96.94 99.86 0.14 0.01 99.74 0.13 0.04 0.00 0.00 0.00 0.08 0.01