# 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 D C C 89.30 4.98 13.22 19.57 107.29 -145.69 -88.36 103.41 99.94 0.03 0.03 99.83 0.08 0.06 0.01 0.00 0.00 0.01 0.01 1 L C C 105.61 5.20 10.39 17.22 96.51 161.21 -73.70 -16.00 87.03 0.59 12.38 42.34 4.17 41.91 5.68 5.17 0.00 0.32 0.39 2 L C T 104.90 4.88 10.02 16.34 98.52 58.99 -85.06 -2.97 84.06 1.43 14.50 27.55 12.77 44.58 6.23 7.23 0.01 0.64 0.99 3 A C T 69.79 3.74 11.22 16.51 105.60 103.25 -72.45 99.53 75.05 1.40 23.55 25.82 18.38 31.70 10.75 11.72 0.02 0.58 1.03 4 G C T 51.19 2.71 13.59 17.03 99.60 32.59 -47.98 -17.55 75.96 0.90 23.15 23.85 15.47 37.39 12.61 9.63 0.01 0.37 0.67 5 G C C 35.01 7.70 11.90 20.76 100.12 61.69 -62.97 -31.60 67.38 1.05 31.57 32.92 16.23 19.24 21.67 8.76 0.01 0.41 0.76 6 K H H 111.11 7.17 12.95 21.11 99.06 59.98 -72.10 -28.16 48.65 1.05 50.30 30.63 9.96 9.13 43.73 5.56 0.01 0.44 0.53 7 D H H 96.21 2.79 15.32 18.58 96.90 60.65 -71.34 -33.81 38.31 0.79 60.90 24.14 7.31 7.85 55.93 4.08 0.01 0.37 0.32 8 D H H 80.18 3.62 15.68 19.89 97.15 53.33 -71.43 -35.44 24.30 0.83 74.87 14.92 5.25 6.28 69.35 3.46 0.03 0.42 0.29 9 V H H 40.17 11.77 11.19 23.83 93.97 54.12 -67.43 -40.04 12.77 0.81 86.42 6.80 3.01 4.57 82.22 2.62 0.06 0.42 0.30 10 K H H 114.00 5.79 13.92 21.03 93.00 53.41 -66.03 -39.04 8.64 0.39 90.97 3.76 1.82 4.03 87.12 2.85 0.06 0.22 0.14 11 A H H 81.57 1.32 14.87 15.53 93.65 50.85 -68.90 -36.33 10.26 0.21 89.52 2.16 1.69 6.95 84.91 3.95 0.12 0.12 0.09 12 T H H 85.00 3.33 13.75 18.06 99.79 37.19 -85.61 -36.45 15.30 0.17 84.53 1.59 2.41 11.92 80.82 2.90 0.18 0.07 0.10 13 F H H 95.04 8.05 11.02 20.28 102.24 26.02 -104.52 -10.26 26.55 0.54 72.90 3.43 8.89 16.77 68.13 1.69 0.45 0.12 0.51 14 G C C 32.13 3.17 14.90 19.26 125.07 -118.44 89.80 -175.67 90.99 0.98 8.03 66.76 15.12 8.88 2.70 5.41 0.00 0.40 0.74 15 A C T 89.53 2.59 12.06 15.66 94.92 -53.24 -68.32 -23.28 86.34 0.29 13.38 3.19 11.35 72.37 2.61 10.05 0.00 0.14 0.28 16 D C T 116.13 1.41 13.88 15.20 96.22 53.74 -88.96 9.23 86.67 0.23 13.11 6.54 9.73 70.54 3.46 9.43 0.00 0.12 0.19 17 S C C 33.49 9.99 8.93 20.45 111.70 123.38 -76.42 128.68 74.47 1.14 24.39 61.22 10.82 3.19 20.07 3.49 0.00 0.31 0.89 18 F H H 138.19 2.72 15.22 18.69 94.83 -154.63 -67.35 -35.68 5.63 0.02 94.34 1.70 1.22 2.67 93.79 0.60 0.00 0.01 0.01 19 V H H 86.88 2.83 17.01 19.74 92.28 52.15 -65.10 -41.53 1.57 0.01 98.42 0.36 0.17 0.90 98.08 0.47 0.00 0.00 0.00 20 M H H 58.14 9.05 14.51 25.14 91.76 49.18 -64.83 -41.42 0.52 0.00 99.47 0.12 0.04 0.28 99.13 0.42 0.00 0.00 0.00 21 M H H 75.16 8.23 15.78 25.17 91.62 51.05 -63.72 -41.13 0.36 0.00 99.64 0.07 0.02 0.21 99.49 0.21 0.00 0.00 0.00 22 C H H 69.72 2.93 18.43 21.25 91.76 50.38 -64.53 -41.69 0.41 0.00 99.58 0.05 0.02 0.30 99.52 0.10 0.00 0.00 0.00 23 I H H 81.00 5.26 18.17 23.99 91.89 49.33 -65.06 -42.23 0.37 0.00 99.63 0.04 0.02 0.28 99.61 0.05 0.00 0.00 0.00 24 I H H 53.21 10.69 16.43 28.07 91.84 49.03 -64.53 -42.52 0.18 0.00 99.82 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 25 I H H 84.01 4.71 19.41 24.55 91.70 49.39 -63.83 -42.18 0.14 0.00 99.86 0.01 0.01 0.08 99.87 0.02 0.00 0.00 0.00 26 A H H 51.41 3.52 19.29 22.85 91.47 50.32 -63.69 -41.72 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 27 E H H 71.73 8.92 17.80 27.49 91.77 50.25 -64.74 -40.47 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 28 L H H 66.01 9.27 17.95 27.91 91.80 49.74 -64.33 -41.71 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 29 I H H 94.11 2.95 21.10 23.51 91.89 48.89 -64.60 -42.15 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 30 V H H 70.09 4.63 20.09 24.80 91.65 49.12 -64.63 -42.14 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 31 G H H 16.60 10.84 16.11 28.45 91.79 51.24 -63.32 -41.90 0.23 0.00 99.77 0.02 0.01 0.16 99.77 0.05 0.00 0.00 0.00 32 V H H 67.50 5.93 19.01 25.76 91.84 49.76 -64.27 -41.90 0.33 0.00 99.67 0.02 0.01 0.24 99.64 0.09 0.00 0.00 0.00 33 A H H 54.13 2.94 19.41 22.02 91.69 49.97 -63.91 -41.87 0.66 0.00 99.34 0.06 0.03 0.47 99.25 0.19 0.00 0.00 0.00 34 M H H 66.24 6.17 16.23 23.84 91.86 49.97 -64.82 -41.07 2.18 0.01 97.81 0.21 0.15 1.69 97.34 0.60 0.00 0.00 0.00 35 Y H H 77.24 9.54 13.33 24.20 92.11 50.68 -64.65 -40.48 5.41 0.03 94.56 0.62 0.48 4.21 93.22 1.44 0.02 0.01 0.01 36 I H H 104.29 3.04 15.25 18.91 92.91 47.04 -68.44 -38.29 11.20 0.08 88.72 1.48 1.28 8.49 86.90 1.72 0.05 0.03 0.04 37 R H H 161.60 1.56 14.81 16.07 94.17 47.30 -72.34 -33.53 22.68 0.18 77.14 3.34 3.39 16.14 75.13 1.76 0.05 0.07 0.11 38 T C H 69.61 5.06 11.97 18.51 100.55 38.69 -96.42 -8.17 52.51 0.62 46.87 14.39 11.12 26.99 45.03 1.85 0.04 0.21 0.37 39 K C C 146.91 3.42 13.02 18.14 97.39 -130.71 49.79 40.29 80.29 0.74 18.97 36.85 20.29 21.64 18.52 2.00 0.00 0.26 0.44 40 N C C 70.05 6.14 11.82 19.79 113.25 146.04 -99.44 126.19 81.15 0.74 18.12 65.07 8.85 5.36 18.55 1.46 0.00 0.24 0.46 41 L H H 108.31 3.69 13.58 18.86 93.64 -152.10 -64.25 -32.47 12.51 0.09 87.39 5.12 2.19 5.26 85.36 1.98 0.01 0.04 0.04 42 L H H 101.37 2.68 15.81 19.08 91.79 56.88 -64.66 -38.89 4.92 0.05 95.02 1.66 0.62 2.52 92.83 2.31 0.01 0.03 0.02 43 I H H 52.70 10.00 13.93 25.29 91.98 50.93 -65.04 -41.10 2.09 0.03 97.88 0.63 0.23 1.11 95.37 2.62 0.00 0.02 0.01 44 L H H 70.12 8.55 16.01 25.42 91.74 50.80 -63.25 -41.46 1.85 0.02 98.13 0.45 0.19 1.07 96.31 1.94 0.01 0.01 0.01 45 L H H 93.45 2.43 19.64 21.45 91.90 49.90 -64.27 -40.75 3.91 0.05 96.04 0.60 0.40 2.67 94.95 1.30 0.03 0.02 0.02 46 G H H 24.17 6.60 17.10 25.42 91.77 51.24 -64.08 -41.38 5.11 0.01 94.88 0.59 0.38 3.72 94.77 0.52 0.01 0.00 0.01 47 L H H 51.16 12.09 16.57 29.15 91.93 51.52 -64.33 -42.06 1.05 0.00 98.94 0.20 0.10 0.57 99.00 0.14 0.00 0.00 0.00 48 V H H 70.42 6.08 19.26 25.86 91.61 50.64 -63.63 -41.93 0.29 0.00 99.71 0.06 0.02 0.14 99.71 0.06 0.00 0.00 0.00 49 V H H 80.24 2.89 20.80 23.18 91.65 49.67 -64.28 -41.99 0.17 0.00 99.83 0.03 0.01 0.09 99.83 0.04 0.00 0.00 0.00 50 V H H 47.36 9.40 17.92 28.47 91.97 49.66 -64.54 -42.03 0.11 0.00 99.89 0.02 0.01 0.06 99.89 0.03 0.00 0.00 0.00 51 I H H 54.10 11.60 17.08 29.06 91.82 50.00 -63.71 -41.85 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 52 V H H 78.96 3.50 19.74 23.28 91.77 49.63 -64.14 -42.44 0.17 0.00 99.83 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 53 F H H 112.46 3.29 19.94 23.11 92.04 48.85 -64.93 -41.86 0.36 0.00 99.64 0.03 0.02 0.24 99.65 0.06 0.00 0.00 0.00 54 T H H 40.06 10.69 16.26 27.89 92.27 49.10 -65.48 -41.30 1.08 0.00 98.92 0.15 0.08 0.71 98.91 0.14 0.00 0.00 0.00 55 T H H 55.30 8.08 16.69 25.67 92.13 50.19 -64.54 -41.10 2.37 0.01 97.62 0.33 0.21 1.61 97.40 0.44 0.00 0.01 0.01 56 V H H 82.87 2.20 18.50 20.02 92.01 49.84 -64.55 -41.43 4.50 0.05 95.45 0.94 0.56 2.93 94.50 1.01 0.01 0.02 0.03 57 G H H 30.81 4.50 15.14 21.10 91.97 50.70 -64.62 -40.06 7.80 0.08 92.13 1.70 0.87 5.13 90.28 1.94 0.01 0.04 0.04 58 L H H 63.70 8.94 12.08 22.22 92.50 52.15 -67.47 -35.35 13.98 0.18 85.84 3.31 1.59 9.01 80.14 5.74 0.03 0.10 0.07 59 T H H 87.58 2.97 13.04 17.17 92.77 55.72 -68.93 -30.98 28.30 0.29 71.41 5.10 2.88 20.18 64.91 6.59 0.05 0.16 0.15 60 F H H 157.59 1.24 12.10 13.33 95.17 52.91 -75.65 -24.36 41.56 0.82 57.61 9.83 5.29 27.06 51.52 5.35 0.10 0.43 0.42 61 I C C 103.67 4.88 8.68 15.18 104.05 57.48 -87.32 28.56 59.87 2.67 37.46 40.47 3.01 16.26 35.26 2.33 0.01 1.18 1.47 62 K C C 148.06 3.00 12.33 16.90 107.63 -145.44 -78.90 104.78 99.94 0.05 0.01 99.88 0.05 0.03 0.01 0.00 0.00 0.02 0.00