# 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 69.87 13.17 17.15 30.43 119.65 -161.06 -106.82 128.75 95.63 4.26 0.11 95.73 0.16 0.06 0.08 0.01 0.00 3.84 0.13 1 I E E 71.29 9.73 16.64 27.46 118.90 -161.93 -111.48 130.07 43.48 52.92 3.60 40.60 1.23 1.01 2.75 0.97 0.00 49.97 3.46 2 A E E 45.09 10.88 13.21 25.19 118.01 -155.31 -99.30 134.84 37.66 56.96 5.38 31.05 3.88 2.36 3.29 1.98 0.02 55.74 1.69 3 Q E E 91.28 7.69 13.40 22.46 119.05 -159.07 -105.45 134.03 36.88 58.23 4.88 29.52 4.61 2.78 2.57 2.11 0.02 56.51 1.87 4 Q C E 106.14 6.34 11.97 19.78 113.09 -151.13 -94.33 126.41 50.41 44.29 5.30 34.67 10.10 6.07 2.60 2.49 0.04 42.14 1.88 5 H C C 112.02 5.76 10.77 17.99 113.10 -163.09 -93.87 125.55 75.47 17.23 7.29 44.38 16.28 14.46 4.19 2.96 0.01 16.17 1.55 6 K C T 150.17 2.32 12.60 15.77 101.85 -76.63 -69.78 -14.99 77.50 3.22 19.28 27.52 21.32 28.41 15.05 4.65 0.03 2.20 0.82 7 D C H 104.33 3.47 12.07 16.80 101.98 18.18 -84.88 6.51 65.33 4.20 30.47 24.00 18.45 22.74 26.04 4.79 0.07 2.99 0.91 8 T C H 69.33 7.02 11.98 20.29 107.89 83.64 -90.67 53.94 38.05 24.28 37.67 23.25 7.58 7.47 33.42 4.17 0.17 21.69 2.25 9 V H H 79.04 6.80 14.26 22.12 101.03 80.62 -77.53 -28.13 21.49 30.96 47.54 13.95 3.02 3.43 45.32 2.78 0.05 30.02 1.43 10 A H H 52.09 6.72 16.45 24.02 97.02 59.98 -71.02 -37.59 17.79 28.55 53.66 11.18 2.13 2.72 51.47 2.30 0.02 29.34 0.84 11 A H H 41.50 9.60 16.44 26.87 97.02 53.27 -71.23 -37.68 16.88 22.41 60.71 11.11 1.85 2.56 58.11 2.15 0.02 23.47 0.75 12 C H H 52.17 9.73 17.06 27.25 95.50 55.36 -69.11 -39.44 15.50 12.38 72.12 10.40 1.80 2.57 69.67 1.77 0.01 13.31 0.47 13 E H H 102.66 4.86 20.57 25.40 94.46 52.35 -67.79 -39.85 12.55 5.54 81.91 8.27 1.60 2.79 80.00 1.40 0.01 5.59 0.34 14 A H H 45.44 8.15 19.53 28.11 93.25 50.90 -66.26 -39.80 5.73 0.85 93.42 3.62 0.70 1.52 92.69 0.65 0.01 0.72 0.08 15 A H H 30.68 13.28 17.47 31.00 93.03 52.67 -65.42 -40.56 2.72 0.18 97.09 1.48 0.32 0.91 96.77 0.36 0.01 0.13 0.02 16 E H H 97.00 6.54 21.11 28.08 92.34 51.51 -65.21 -40.49 1.63 0.11 98.26 0.74 0.17 0.64 98.07 0.28 0.00 0.08 0.01 17 A H H 48.34 5.96 21.46 27.51 92.17 50.65 -64.85 -41.66 1.21 0.10 98.69 0.47 0.12 0.54 98.54 0.23 0.01 0.08 0.01 18 I H H 54.84 12.08 19.94 32.22 92.42 49.75 -64.85 -41.76 1.19 0.13 98.68 0.43 0.13 0.54 98.58 0.20 0.00 0.10 0.01 19 A H H 31.28 12.23 18.88 31.64 92.34 51.00 -64.19 -41.74 1.66 0.16 98.19 0.52 0.16 0.85 98.05 0.25 0.01 0.13 0.01 20 I H H 87.79 4.01 22.75 26.49 91.96 49.39 -64.74 -41.75 3.56 0.23 96.20 0.92 0.35 2.11 96.00 0.39 0.01 0.18 0.03 21 A H H 38.79 7.29 20.07 28.16 92.13 49.82 -65.50 -40.27 6.94 0.15 92.91 2.11 0.73 3.99 92.46 0.58 0.01 0.09 0.03 22 K H H 58.81 14.44 17.40 31.68 92.29 52.74 -63.97 -40.17 6.39 0.12 93.48 1.97 0.84 3.68 91.39 1.98 0.02 0.07 0.04 23 D H H 65.32 8.39 18.31 27.46 92.29 52.47 -64.85 -39.00 7.27 0.15 92.58 2.00 0.89 4.50 89.72 2.71 0.04 0.09 0.05 24 Q H H 111.27 2.95 19.98 22.76 93.09 49.98 -67.79 -38.58 10.30 0.27 89.43 2.47 1.36 6.81 85.57 3.44 0.08 0.17 0.09 25 V H H 57.47 10.16 16.63 27.46 94.54 47.23 -70.17 -39.50 17.31 0.83 81.85 4.58 2.94 10.99 77.58 2.90 0.22 0.48 0.31 26 W H H 85.12 13.24 14.42 27.70 98.10 45.39 -82.23 -21.57 32.65 2.97 64.39 10.59 6.53 18.09 56.92 4.42 0.55 1.64 1.26 27 D C H 104.42 3.52 17.33 21.74 97.57 55.43 -68.07 -4.15 53.57 1.64 44.79 9.81 7.29 36.02 38.34 6.66 0.20 0.93 0.75 28 G C T 41.84 7.18 14.22 22.45 100.35 49.57 -67.44 -12.66 67.26 1.57 31.18 13.65 12.59 40.99 22.47 8.52 0.11 0.78 0.88 29 E C T 115.31 5.93 15.20 22.36 104.23 91.71 -82.74 66.07 80.27 2.51 17.22 11.59 16.48 51.96 9.90 7.24 0.08 1.36 1.39 30 G C T 41.95 6.11 17.51 24.49 102.61 -56.13 89.29 4.55 93.26 3.42 3.32 19.61 17.70 56.40 0.79 2.28 0.00 2.67 0.57 31 Y C C 54.88 18.21 11.82 29.25 121.54 132.00 -99.22 143.93 76.78 21.89 1.33 62.87 10.06 2.67 0.32 1.02 0.00 21.96 1.11 32 T E E 63.72 7.75 22.05 30.31 120.89 -151.19 -111.41 134.74 27.84 71.30 0.86 23.54 3.30 0.95 0.30 0.48 0.00 70.66 0.77 33 K E E 72.78 16.21 16.93 32.63 119.61 -150.20 -105.07 129.28 9.96 89.65 0.39 8.35 1.26 0.30 0.15 0.16 0.00 89.50 0.28 34 Y E E 68.75 12.55 18.78 32.04 125.14 -173.02 -122.52 138.34 3.54 96.28 0.18 2.97 0.36 0.11 0.06 0.07 0.00 96.32 0.12 35 T E E 52.92 10.79 18.43 30.12 119.86 -155.52 -114.32 127.99 4.47 95.44 0.09 3.85 0.35 0.07 0.03 0.03 0.00 95.52 0.14 36 F E E 82.38 12.64 14.27 27.07 114.64 -172.04 -106.83 125.45 20.75 78.99 0.26 15.72 4.47 1.03 0.07 0.18 0.00 77.90 0.63 37 D C C 70.32 4.23 17.42 22.00 133.83 0.53 -143.23 173.37 63.45 35.90 0.65 43.27 15.23 4.39 0.09 0.64 0.00 35.45 0.93 38 D C T 121.29 2.18 15.01 18.21 93.38 -81.12 -66.64 -21.87 97.69 1.16 1.16 3.84 38.23 55.66 0.04 1.24 0.00 0.83 0.17 39 N C T 96.35 5.74 15.65 22.42 102.05 30.67 -108.47 0.05 97.82 1.31 0.87 3.77 39.73 54.36 0.02 0.97 0.00 1.00 0.14 40 S E E 20.70 13.58 16.19 30.87 134.64 45.30 -141.52 158.01 35.22 64.57 0.21 23.92 10.41 1.52 0.02 0.22 0.00 63.36 0.54 41 V E E 21.06 16.26 19.19 36.32 124.25 -155.52 -123.00 135.28 4.55 95.45 0.00 4.14 0.23 0.01 0.00 0.00 0.00 95.53 0.09 42 L E E 24.84 14.81 21.93 37.67 117.70 -152.38 -104.97 128.82 0.53 99.47 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.01 43 I E E 16.67 17.63 19.50 37.90 124.98 -170.24 -121.31 137.26 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 44 Q E E 59.51 11.54 18.50 31.01 120.06 -155.29 -111.68 130.11 0.72 99.28 0.00 0.62 0.04 0.00 0.00 0.00 0.00 99.32 0.02 45 S E E 42.76 10.54 14.24 25.75 114.71 -176.92 -126.47 107.39 23.82 76.13 0.05 18.95 2.81 0.41 0.01 0.04 0.00 77.59 0.21 46 G C T 55.17 1.55 15.61 17.22 109.34 -50.68 62.11 -128.18 99.33 0.49 0.18 1.19 25.74 72.44 0.00 0.19 0.00 0.39 0.05 47 T C T 116.61 1.57 13.71 15.66 96.59 -17.38 -92.94 -2.37 99.58 0.28 0.14 1.16 25.11 73.34 0.00 0.15 0.00 0.21 0.03 48 T E E 64.99 7.00 14.47 23.23 122.54 89.52 -104.54 138.55 16.42 83.56 0.02 12.79 2.60 0.18 0.00 0.01 0.00 84.18 0.22 49 Q E E 74.32 13.37 15.53 29.15 122.62 -161.40 -116.48 133.19 1.05 98.95 0.00 0.91 0.04 0.00 0.00 0.00 0.00 99.02 0.02 50 Y E E 49.42 13.91 20.47 35.04 126.20 -172.11 -124.77 138.98 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.01 51 A E E 32.58 15.00 22.10 36.75 120.38 -150.08 -105.59 133.61 0.67 99.33 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.39 0.02 52 M E E 18.05 18.84 18.20 37.24 132.30 -176.03 -131.81 151.21 5.86 94.13 0.02 5.25 0.35 0.03 0.01 0.01 0.00 94.15 0.22 53 D E E 53.00 8.19 23.00 31.80 110.81 -113.84 -80.70 129.00 31.35 68.55 0.10 29.35 1.47 0.16 0.03 0.06 0.00 67.67 1.25 54 A C T 26.99 18.81 13.70 32.37 92.82 -138.73 -65.85 -20.41 97.71 0.71 1.58 3.44 6.65 87.77 0.16 1.33 0.00 0.51 0.14 55 D C T 109.71 2.77 19.35 22.50 93.98 62.19 -84.26 -7.70 98.42 0.17 1.40 2.28 8.53 87.61 0.12 1.31 0.00 0.10 0.06 56 D C C 65.63 6.92 15.64 24.04 109.30 78.60 -103.47 102.18 97.68 0.90 1.42 83.51 13.48 0.81 0.66 0.58 0.00 0.31 0.67 57 A H H 54.39 11.91 12.85 25.44 93.58 -168.80 -62.92 -34.58 10.35 0.05 89.60 2.14 1.59 6.80 86.05 3.35 0.01 0.02 0.03 58 D H H 108.76 1.43 19.98 20.30 92.01 56.87 -65.18 -38.83 6.49 0.03 93.48 0.64 0.72 5.29 89.62 3.66 0.03 0.02 0.02 59 S H H 32.05 9.08 17.75 28.28 92.22 50.66 -65.72 -40.10 2.88 0.03 97.09 0.55 0.33 1.96 93.46 3.66 0.01 0.03 0.01 60 I H H 10.97 22.16 14.27 36.22 91.95 50.58 -64.57 -42.68 1.50 0.02 98.48 0.35 0.21 0.93 96.94 1.55 0.00 0.02 0.00 61 K H H 105.88 6.89 22.06 29.55 91.70 51.59 -63.19 -41.10 1.38 0.01 98.61 0.20 0.11 0.99 97.02 1.67 0.00 0.01 0.00 62 G H H 30.62 3.49 22.87 26.15 91.49 50.74 -63.38 -41.79 2.90 0.01 97.09 0.24 0.16 2.41 94.85 2.33 0.00 0.01 0.00 63 Y H H 35.28 16.37 19.12 35.50 92.47 49.08 -65.33 -41.66 3.12 0.01 96.87 0.32 0.22 2.42 93.90 3.12 0.00 0.01 0.00 64 A H H 13.83 18.89 15.94 34.76 91.51 53.87 -63.64 -37.13 5.54 0.05 94.41 0.74 0.48 3.98 87.09 7.65 0.01 0.03 0.01 65 D H H 105.56 2.21 21.84 23.82 91.69 56.17 -66.64 -30.28 23.55 0.08 76.37 1.08 1.07 20.47 68.27 8.99 0.03 0.04 0.05 66 W H H 125.60 7.21 18.68 26.50 94.14 54.61 -78.28 -19.66 36.98 0.20 62.81 2.60 2.90 30.30 56.01 7.90 0.05 0.10 0.13 67 L C H 30.66 19.62 11.23 29.72 105.15 75.06 -86.22 38.27 61.15 3.32 35.53 26.22 21.81 15.02 29.93 3.65 0.13 1.14 2.11 68 D C C 75.64 5.56 16.36 22.64 114.46 -126.33 -74.84 159.98 80.83 1.66 17.52 60.96 8.31 10.31 15.74 3.04 0.00 0.77 0.87 69 D H H 112.49 2.69 14.14 18.04 95.34 -94.30 -67.04 -28.39 42.32 0.88 56.80 12.08 9.34 21.74 44.26 11.56 0.12 0.44 0.47 70 E H H 133.31 2.07 15.74 17.93 95.00 56.33 -71.18 -27.85 35.16 0.80 64.04 9.60 6.57 19.43 51.31 12.14 0.13 0.44 0.38 71 A H H 30.27 13.33 11.35 25.06 98.53 61.28 -75.73 -26.97 32.78 1.29 65.93 16.47 7.32 10.65 53.74 10.56 0.06 0.70 0.50 72 R H H 106.23 9.12 14.72 24.42 99.29 59.99 -73.57 -29.67 38.33 1.10 60.58 26.45 6.07 6.76 55.89 3.89 0.01 0.52 0.41 73 S H H 73.00 2.88 17.09 20.18 94.80 53.03 -66.48 -39.41 24.34 0.54 75.12 15.06 4.17 6.05 71.15 3.12 0.01 0.26 0.19 74 A H H 62.70 3.26 17.93 21.33 93.61 50.46 -67.40 -38.43 16.88 0.32 82.79 8.17 2.92 6.35 78.93 3.32 0.01 0.17 0.11 75 E H H 58.30 12.88 16.21 29.29 93.16 50.32 -67.79 -38.99 11.87 0.25 87.88 7.22 1.57 3.66 84.93 2.40 0.00 0.14 0.08 76 A H H 31.42 11.60 16.28 28.92 92.16 53.41 -63.21 -41.34 3.89 0.06 96.06 2.19 0.53 1.27 95.17 0.81 0.00 0.03 0.01 77 S H H 60.31 2.23 22.23 22.95 91.64 50.44 -64.14 -40.99 1.99 0.03 97.98 0.95 0.26 0.79 97.54 0.44 0.00 0.01 0.01 78 E H H 72.83 7.79 20.32 28.89 92.08 50.22 -64.77 -41.29 1.09 0.02 98.89 0.45 0.13 0.48 98.64 0.26 0.00 0.01 0.00 79 I H H 14.14 20.38 15.85 36.34 91.84 50.59 -64.24 -42.40 0.62 0.01 99.37 0.23 0.07 0.28 99.27 0.14 0.00 0.00 0.00 80 E H H 93.67 6.19 21.48 28.20 91.17 51.46 -63.14 -41.24 0.53 0.01 99.46 0.18 0.05 0.26 99.40 0.11 0.00 0.00 0.00 81 R H H 129.91 2.39 22.73 24.02 91.68 50.14 -64.41 -41.66 0.61 0.01 99.38 0.17 0.05 0.33 99.30 0.13 0.00 0.00 0.00 82 L H H 30.77 14.28 18.24 33.14 91.98 49.70 -64.52 -42.13 0.85 0.01 99.14 0.21 0.07 0.50 99.02 0.19 0.00 0.01 0.00 83 L H H 38.23 14.09 17.47 32.01 91.69 50.48 -63.80 -41.19 1.52 0.02 98.46 0.37 0.14 0.90 98.21 0.36 0.00 0.01 0.00 84 E H H 104.27 2.29 20.47 21.83 91.69 50.90 -64.24 -40.12 4.17 0.04 95.79 0.79 0.36 2.75 95.21 0.84 0.01 0.02 0.01 85 S H H 45.91 5.28 16.29 23.05 92.27 52.55 -65.65 -38.19 12.05 0.08 87.87 1.78 0.98 8.68 86.80 1.66 0.01 0.04 0.03 86 V H H 42.47 13.57 12.11 26.07 93.75 53.28 -69.64 -33.95 20.18 0.29 79.53 5.19 2.57 12.29 77.46 2.20 0.02 0.14 0.13 87 E H H 118.75 4.70 13.03 19.16 95.07 58.56 -72.91 -23.21 37.47 1.56 60.97 15.44 5.57 17.01 58.49 2.07 0.04 0.71 0.67 88 E C C 138.82 1.92 11.09 14.02 101.93 67.58 -81.57 14.92 67.22 1.01 31.77 41.75 1.32 20.87 33.73 1.38 0.00 0.43 0.52 89 E C C 126.62 4.50 11.35 17.53 108.26 78.37 -81.89 110.94 99.93 0.03 0.04 99.83 0.06 0.07 0.03 0.00 0.00 0.01 0.00