# 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 A C C 75.32 4.17 9.95 15.85 114.62 -146.93 -88.55 138.69 99.94 0.04 0.02 99.86 0.07 0.04 0.01 0.00 0.00 0.02 0.01 1 K C C 161.04 1.57 8.61 11.47 110.92 -131.46 -90.72 120.77 91.63 1.12 7.25 85.35 1.37 6.02 3.31 2.77 0.00 0.54 0.64 2 H C C 141.73 2.72 6.66 11.06 115.04 -155.11 -98.86 125.99 83.81 1.94 14.24 59.66 12.36 11.55 5.49 8.91 0.00 1.02 1.01 3 L C C 123.04 2.52 7.89 12.14 112.75 -142.00 -82.02 133.56 73.61 2.07 24.33 52.44 9.91 10.53 7.67 17.44 0.00 1.18 0.84 4 K C C 157.46 1.81 8.59 11.77 111.73 -137.52 -90.48 126.34 71.20 3.00 25.80 45.37 13.05 12.45 9.00 17.25 0.01 1.72 1.17 5 F C C 145.98 3.68 7.66 13.06 113.79 -133.47 -98.74 122.78 72.76 7.29 19.95 51.30 11.67 9.55 8.17 12.12 0.01 4.62 2.55 6 I C C 126.60 2.79 9.39 13.70 111.13 -153.64 -95.07 112.68 77.95 9.17 12.89 53.14 15.35 9.63 6.79 6.09 0.02 6.33 2.65 7 A C C 78.40 3.91 9.46 15.15 118.88 -84.08 -100.49 138.07 82.02 10.25 7.73 54.41 16.50 11.32 3.21 4.19 0.01 9.17 1.19 8 R C C 144.41 5.07 10.94 17.75 119.89 -163.03 -110.00 136.60 71.75 25.04 3.21 56.38 11.17 3.16 1.16 1.81 0.00 25.32 1.01 9 T E E 89.04 5.21 11.73 18.91 121.61 -152.55 -111.43 137.41 37.28 61.94 0.78 34.22 1.99 0.46 0.42 0.32 0.00 61.15 1.44 10 V E E 66.58 9.46 11.10 22.06 122.70 -167.28 -121.26 134.11 24.58 75.17 0.25 23.61 0.87 0.14 0.16 0.09 0.00 74.17 0.95 11 M E E 123.26 3.18 15.74 19.90 114.72 -138.75 -91.07 128.85 27.55 72.20 0.25 26.69 0.73 0.16 0.14 0.09 0.00 71.20 0.98 12 V C C 52.77 12.56 8.41 21.49 121.53 -166.86 -115.18 135.77 57.90 41.75 0.35 56.11 1.24 0.21 0.19 0.12 0.00 40.86 1.27 13 Q C C 124.31 2.48 12.68 16.27 118.18 -157.13 -105.29 135.77 68.29 28.56 3.14 52.25 9.66 5.73 1.07 2.22 0.00 25.71 3.36 14 E C T 165.24 0.93 12.98 13.74 98.72 -24.35 35.10 65.75 93.90 0.76 5.35 2.56 11.96 79.41 0.82 4.48 0.00 0.48 0.29 15 G C T 58.19 2.28 12.76 15.91 96.39 -24.12 80.90 0.95 94.18 0.56 5.25 5.32 13.79 74.69 0.85 4.76 0.00 0.34 0.24 16 N C C 78.62 4.73 13.43 19.77 105.44 116.34 -99.67 79.37 93.14 2.92 3.94 88.65 3.42 1.65 2.25 1.29 0.00 1.29 1.45 17 V H H 59.25 11.93 10.65 23.30 94.82 161.75 -67.08 -37.34 9.10 0.13 90.77 6.89 0.95 1.81 89.41 0.84 0.00 0.05 0.04 18 E H H 125.44 2.22 17.64 19.93 91.98 54.66 -63.25 -40.96 2.06 0.02 97.93 0.60 0.22 1.10 97.14 0.92 0.00 0.01 0.00 19 S H H 54.05 2.52 18.39 20.62 91.78 49.78 -65.04 -40.56 0.97 0.01 99.02 0.25 0.09 0.53 98.07 1.06 0.00 0.01 0.00 20 A H H 20.79 12.02 13.80 27.42 91.96 51.68 -63.70 -42.48 0.74 0.01 99.25 0.19 0.07 0.38 98.70 0.65 0.00 0.00 0.00 21 Y H H 91.80 9.66 17.23 27.44 91.79 50.39 -63.93 -41.67 0.61 0.00 99.38 0.13 0.05 0.31 99.35 0.15 0.00 0.00 0.00 22 R H H 142.52 1.79 20.50 21.14 91.70 50.70 -64.25 -41.54 0.41 0.00 99.59 0.08 0.03 0.19 99.65 0.04 0.00 0.00 0.00 23 T H H 58.23 5.06 18.88 24.65 91.84 49.60 -64.69 -42.14 0.30 0.00 99.70 0.05 0.02 0.15 99.76 0.03 0.00 0.00 0.00 24 L H H 37.77 14.06 15.84 30.57 91.74 49.63 -64.33 -41.80 0.24 0.00 99.76 0.03 0.01 0.13 99.80 0.02 0.00 0.00 0.00 25 N H H 68.76 7.45 17.80 26.22 91.57 51.11 -63.56 -40.63 0.32 0.00 99.68 0.04 0.02 0.16 99.75 0.02 0.00 0.00 0.00 26 R H H 133.46 1.79 20.19 20.58 91.84 50.47 -64.36 -41.67 0.48 0.00 99.52 0.07 0.03 0.25 99.60 0.04 0.00 0.00 0.00 27 I H H 58.67 6.88 17.25 25.50 91.91 49.04 -64.53 -42.33 0.48 0.00 99.51 0.07 0.05 0.26 99.57 0.05 0.00 0.00 0.00 28 L H H 34.41 12.35 12.95 26.59 92.40 49.03 -64.80 -41.16 1.03 0.01 98.96 0.21 0.11 0.57 98.96 0.13 0.00 0.00 0.00 29 T H H 80.69 3.55 15.40 19.87 92.53 49.73 -65.52 -40.20 2.61 0.02 97.37 0.39 0.19 1.83 97.20 0.36 0.01 0.01 0.00 30 M H H 138.24 1.21 15.51 16.02 92.28 51.24 -67.13 -33.31 7.66 0.02 92.32 0.27 0.36 7.03 91.96 0.36 0.01 0.01 0.01 31 D C T 82.13 4.82 12.89 19.12 94.73 48.22 -87.32 -3.39 74.95 0.03 25.01 0.51 2.24 70.13 26.49 0.58 0.00 0.01 0.03 32 G C T 42.21 4.06 14.96 20.46 95.96 -113.60 78.75 11.72 97.32 0.03 2.65 3.50 3.93 89.47 2.86 0.20 0.00 0.01 0.02 33 L H H 53.25 8.45 13.59 24.09 94.77 125.80 -70.85 -34.51 10.94 0.07 88.99 8.04 1.16 1.69 88.41 0.65 0.00 0.02 0.03 34 I H H 56.61 10.82 14.02 25.80 92.92 55.15 -64.44 -41.62 2.16 0.03 97.82 0.74 0.30 0.99 97.22 0.73 0.00 0.01 0.00 35 E H H 107.64 2.94 17.98 21.06 92.21 50.85 -65.07 -40.18 1.22 0.02 98.76 0.41 0.14 0.60 98.01 0.82 0.00 0.01 0.00 36 D H H 74.91 3.20 17.11 20.61 92.35 50.19 -65.86 -40.38 1.15 0.02 98.83 0.29 0.14 0.64 98.17 0.75 0.00 0.01 0.00 37 I H H 47.63 8.03 13.91 23.89 92.47 50.17 -65.40 -42.11 1.44 0.02 98.55 0.29 0.18 0.85 98.11 0.54 0.00 0.01 0.00 38 K H H 89.43 5.98 13.80 21.29 92.52 51.17 -64.76 -40.09 2.60 0.03 97.37 0.51 0.28 1.66 96.60 0.92 0.01 0.01 0.01 39 H H H 111.75 3.10 13.61 17.74 92.76 50.82 -66.89 -37.26 5.41 0.03 94.56 0.62 0.45 4.14 93.06 1.68 0.02 0.02 0.01 40 R H H 150.84 2.35 13.64 16.49 95.96 45.10 -75.40 -36.12 10.52 0.06 89.43 0.76 0.90 8.86 87.31 2.06 0.05 0.02 0.03 41 R H H 145.22 3.04 13.40 17.11 100.81 33.48 -88.92 -32.52 34.49 0.13 65.37 1.25 2.59 30.49 62.73 2.70 0.09 0.05 0.10 42 Y C T 130.20 4.41 12.57 18.13 107.19 18.32 -112.77 -5.74 60.41 0.64 38.95 5.33 8.81 44.78 37.13 3.15 0.10 0.28 0.42 43 Y C C 126.80 5.68 10.92 18.26 115.42 94.46 -104.71 123.65 86.82 6.23 6.95 59.51 14.13 12.69 4.78 2.27 0.01 3.25 3.36 44 E C C 86.93 7.64 10.23 19.60 117.89 -144.97 -97.42 137.17 92.31 5.23 2.46 75.84 13.08 2.46 1.90 0.72 0.00 2.10 3.89 45 K C C 118.59 3.58 12.78 17.77 115.04 -112.20 -70.45 147.29 97.55 0.36 2.09 89.38 6.36 1.91 1.45 0.52 0.00 0.15 0.22 46 P C T 92.79 3.42 12.13 16.97 95.64 -102.80 -61.90 -29.30 75.39 0.16 24.45 6.24 6.43 62.23 19.27 5.60 0.00 0.07 0.15 47 C C T 71.59 4.05 11.73 16.80 96.82 53.03 -76.96 -15.16 70.21 0.17 29.62 7.69 5.61 55.87 25.10 5.52 0.01 0.07 0.14 48 C H H 57.72 4.52 12.27 18.63 94.44 78.12 -66.43 -38.68 19.38 0.27 80.35 12.13 4.18 4.34 76.33 2.79 0.01 0.10 0.12 49 R H H 134.25 2.86 13.88 17.73 92.69 52.71 -64.40 -40.69 3.12 0.03 96.85 1.26 0.51 1.27 96.31 0.64 0.00 0.01 0.00 50 R H H 138.15 2.00 14.82 16.98 92.28 50.40 -65.62 -40.13 1.35 0.01 98.64 0.48 0.18 0.61 98.30 0.42 0.00 0.00 0.00 51 Q H H 95.80 3.22 15.07 18.89 92.29 49.94 -65.05 -40.91 0.50 0.00 99.50 0.15 0.06 0.23 99.37 0.19 0.00 0.00 0.00 52 R H H 121.52 3.15 15.81 19.55 92.05 49.96 -64.33 -41.23 0.28 0.00 99.72 0.06 0.03 0.15 99.68 0.09 0.00 0.00 0.00 53 E H H 96.62 2.43 16.56 19.00 91.93 49.83 -64.03 -41.55 0.21 0.00 99.79 0.03 0.01 0.12 99.77 0.06 0.00 0.00 0.00 54 S H H 51.21 3.20 15.95 19.85 91.91 50.43 -63.84 -41.62 0.24 0.00 99.75 0.03 0.02 0.14 99.76 0.05 0.00 0.00 0.00 55 Y H H 111.55 3.68 15.89 20.16 92.01 50.14 -64.60 -41.30 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 56 E H H 94.94 2.57 16.50 19.19 91.76 50.55 -64.11 -41.44 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 57 R H H 132.22 1.89 16.90 18.24 91.98 49.97 -64.44 -41.36 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 58 C H H 62.24 3.61 15.06 19.46 91.95 50.08 -64.35 -41.01 0.44 0.00 99.56 0.04 0.02 0.30 99.58 0.06 0.00 0.00 0.00 59 R H H 129.32 3.07 15.97 19.21 91.88 50.67 -64.36 -40.65 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 60 R H H 132.78 1.85 16.53 17.91 91.83 50.78 -64.22 -41.48 0.14 0.00 99.86 0.01 0.01 0.08 99.86 0.03 0.00 0.00 0.00 61 I H H 87.83 2.60 16.10 18.76 91.88 49.34 -64.31 -42.19 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 62 Y H H 112.64 3.87 15.26 19.62 91.83 49.51 -64.34 -41.87 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 63 N H H 86.38 2.42 16.08 18.58 91.71 49.97 -64.49 -40.79 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.03 0.00 0.00 0.00 64 M H H 101.42 1.86 16.47 17.73 91.82 50.23 -64.42 -41.14 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 65 E H H 92.23 3.34 15.54 19.46 91.95 50.20 -64.62 -41.11 0.28 0.00 99.72 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 66 M H H 89.17 3.46 15.16 19.20 92.01 50.14 -64.85 -40.73 0.49 0.00 99.51 0.06 0.03 0.31 99.55 0.05 0.00 0.00 0.00 67 A H H 57.89 2.11 15.77 17.86 91.54 51.03 -63.50 -40.88 0.32 0.00 99.68 0.05 0.02 0.18 99.71 0.04 0.00 0.00 0.00 68 R H H 133.34 1.97 15.67 17.50 92.06 50.38 -64.97 -40.33 0.29 0.00 99.71 0.03 0.01 0.17 99.74 0.04 0.00 0.00 0.00 69 K H H 109.61 3.00 15.20 18.56 91.95 50.74 -64.72 -41.34 0.19 0.00 99.81 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 70 I H H 90.86 2.27 14.98 17.36 91.88 49.65 -64.41 -41.53 0.17 0.00 99.83 0.02 0.01 0.09 99.83 0.04 0.00 0.00 0.00 71 N H H 87.20 1.92 14.89 16.74 91.93 50.34 -64.17 -40.44 0.36 0.00 99.64 0.04 0.02 0.23 99.62 0.10 0.00 0.00 0.00 72 F H H 105.27 2.56 13.56 16.84 92.20 50.49 -64.71 -41.19 0.90 0.00 99.10 0.09 0.05 0.63 98.95 0.28 0.00 0.00 0.00 73 L H H 88.78 2.41 13.04 16.04 92.29 49.92 -64.93 -40.54 2.18 0.01 97.81 0.29 0.20 1.48 97.43 0.60 0.00 0.00 0.00 74 M H H 111.79 1.83 12.45 14.69 92.44 50.51 -66.35 -36.62 9.39 0.06 90.56 1.80 1.10 6.28 89.27 1.48 0.02 0.02 0.03 75 R H H 150.82 1.96 11.17 14.03 93.46 52.55 -70.06 -31.27 23.08 0.21 76.71 5.56 2.85 14.92 74.28 2.17 0.03 0.08 0.12 76 K H H 140.54 2.10 10.77 13.87 95.05 58.12 -74.38 -23.43 37.66 0.43 61.92 10.91 7.52 19.96 59.05 2.11 0.04 0.15 0.27 77 N C H 125.36 1.27 10.61 12.28 99.73 47.31 -94.07 6.87 67.42 0.76 31.82 28.74 14.40 23.63 30.24 2.22 0.01 0.25 0.51 78 R C C 139.11 3.67 8.11 13.95 116.40 122.20 -86.12 136.15 93.21 1.29 5.50 77.57 9.43 5.93 4.41 1.21 0.00 0.54 0.92 79 A C C 86.66 1.83 10.45 13.60 113.74 -121.75 -76.45 146.15 95.66 1.56 2.78 78.33 13.41 3.63 1.79 0.89 0.00 0.54 1.41 80 D C C 83.12 5.40 8.24 15.47 111.40 -107.87 -85.08 120.31 99.15 0.44 0.40 90.90 7.54 0.67 0.17 0.17 0.00 0.15 0.38 81 P C T 98.84 2.97 9.75 14.61 93.90 -150.00 -64.99 -20.49 85.18 0.34 14.48 11.81 9.08 63.74 2.17 12.80 0.00 0.17 0.23 82 W C T 171.20 3.08 8.59 13.15 100.26 59.00 -90.61 6.76 83.18 0.58 16.24 10.29 9.30 62.87 2.61 14.24 0.00 0.30 0.40 83 Q C T 130.02 2.45 8.19 12.52 108.20 108.57 -72.92 118.97 84.17 1.03 14.80 17.86 11.87 53.98 1.89 13.21 0.00 0.50 0.69 84 G C T 63.57 0.97 10.53 11.74 99.58 11.69 81.24 2.62 95.32 0.37 4.31 42.20 5.09 48.52 0.95 2.84 0.00 0.20 0.20 85 C C C 77.49 5.99 9.69 17.12 104.45 102.51 -90.33 42.45 99.81 0.15 0.05 99.15 0.56 0.15 0.01 0.01 0.00 0.06 0.06