# 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 34.55 6.75 13.95 21.79 112.67 -139.35 -81.02 159.68 99.92 0.05 0.03 99.85 0.07 0.03 0.02 0.00 0.00 0.02 0.01 1 F H H 125.71 3.74 11.71 16.49 97.96 9.25 -71.41 -34.48 27.61 0.36 72.03 23.21 0.98 3.93 70.70 0.90 0.00 0.13 0.15 2 I H H 112.01 2.78 11.05 14.71 93.55 55.21 -65.88 -39.32 7.31 0.06 92.63 2.45 1.00 3.76 91.63 1.10 0.00 0.03 0.02 3 M H H 108.82 2.56 12.16 15.63 92.94 51.28 -66.38 -39.72 2.56 0.03 97.42 0.87 0.31 1.32 96.34 1.14 0.00 0.02 0.01 4 E H H 102.44 2.68 13.22 16.80 92.44 51.48 -65.33 -40.46 1.36 0.01 98.62 0.46 0.16 0.69 97.93 0.76 0.00 0.01 0.00 5 F H H 109.23 2.85 13.83 17.34 92.33 50.35 -65.02 -41.32 0.68 0.00 99.31 0.20 0.07 0.35 99.13 0.24 0.00 0.00 0.00 6 A H H 53.12 3.44 14.36 18.69 92.14 50.53 -64.28 -41.23 0.46 0.00 99.54 0.11 0.04 0.25 99.47 0.12 0.00 0.00 0.00 7 E H H 97.69 3.86 15.09 19.94 92.21 50.63 -65.17 -40.47 0.69 0.00 99.31 0.11 0.05 0.45 99.27 0.12 0.00 0.00 0.00 8 N H H 79.65 3.55 15.14 19.60 92.48 50.33 -65.67 -39.97 1.32 0.00 98.68 0.20 0.11 0.89 98.62 0.17 0.00 0.00 0.00 9 L H H 84.60 2.93 15.50 18.81 92.22 51.37 -64.90 -41.57 1.27 0.01 98.72 0.20 0.11 0.88 98.26 0.52 0.01 0.00 0.00 10 V H H 66.44 4.78 14.02 20.24 92.43 49.66 -65.49 -41.00 1.63 0.01 98.36 0.21 0.13 1.19 97.42 1.04 0.01 0.00 0.00 11 L H H 78.09 5.70 12.91 20.20 92.29 51.88 -65.38 -37.44 3.47 0.01 96.52 0.35 0.24 2.68 93.67 3.05 0.01 0.00 0.00 12 R H H 162.58 1.65 14.58 16.43 92.02 54.12 -68.09 -29.26 18.38 0.02 81.60 0.69 0.73 17.17 77.40 3.97 0.01 0.01 0.01 13 L H H 109.81 2.79 13.23 16.67 95.80 51.23 -84.56 -15.11 40.28 0.07 59.65 2.14 2.56 35.13 56.11 3.96 0.02 0.02 0.06 14 M C C 79.49 9.09 7.60 17.75 112.16 90.38 -85.67 128.33 76.90 0.85 22.26 42.39 15.22 19.46 18.70 3.27 0.01 0.27 0.68 15 E C C 146.21 1.71 12.19 14.47 99.74 -157.82 -79.85 -23.91 94.73 1.03 4.24 60.29 27.04 7.16 3.15 1.11 0.00 0.31 0.93 16 N C C 86.41 3.21 11.85 16.41 112.23 35.29 -111.62 104.49 99.46 0.16 0.38 87.96 10.96 0.54 0.30 0.07 0.00 0.05 0.12 17 P H H 79.35 5.45 10.37 18.02 93.43 -157.98 -61.58 -34.77 7.73 0.01 92.26 2.59 1.27 3.55 91.54 1.04 0.00 0.00 0.01 18 E H H 129.06 1.37 14.22 15.28 91.89 53.64 -64.54 -40.37 2.78 0.00 97.21 0.39 0.28 1.86 96.46 1.00 0.00 0.00 0.00 19 E H H 99.08 2.14 14.81 17.08 91.82 49.27 -65.50 -40.34 1.41 0.00 98.58 0.35 0.14 0.78 97.64 1.09 0.00 0.00 0.00 20 R H H 80.69 6.91 12.30 21.17 91.84 51.25 -63.89 -41.36 0.55 0.00 99.45 0.15 0.05 0.26 99.27 0.27 0.00 0.00 0.00 21 D H H 71.19 4.01 15.34 20.56 91.40 50.67 -64.06 -40.57 0.53 0.00 99.47 0.12 0.04 0.26 99.46 0.11 0.00 0.00 0.00 22 R H H 137.87 1.50 17.66 17.91 91.77 50.42 -64.89 -40.94 0.37 0.00 99.63 0.06 0.02 0.21 99.63 0.08 0.00 0.00 0.00 23 K H H 105.35 2.97 17.13 20.36 92.02 49.93 -65.37 -41.01 0.43 0.00 99.57 0.06 0.02 0.25 99.61 0.07 0.00 0.00 0.00 24 A H H 39.26 7.01 14.38 23.24 91.80 50.92 -63.84 -41.12 0.55 0.00 99.45 0.08 0.03 0.30 99.52 0.06 0.00 0.00 0.00 25 R H H 128.67 2.84 17.26 20.41 91.78 50.72 -64.19 -40.95 0.55 0.00 99.45 0.10 0.03 0.30 99.52 0.05 0.00 0.00 0.00 26 E H H 104.31 1.88 18.06 18.93 91.81 50.33 -64.47 -41.63 0.30 0.00 99.70 0.05 0.01 0.16 99.74 0.03 0.00 0.00 0.00 27 H H H 90.61 4.06 16.59 21.46 91.98 49.57 -64.71 -41.53 0.20 0.00 99.80 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 28 I H H 74.69 5.41 15.67 22.28 91.76 49.67 -64.36 -42.02 0.13 0.00 99.87 0.02 0.00 0.07 99.88 0.02 0.00 0.00 0.00 29 Y H H 123.12 2.29 16.95 19.00 91.70 49.61 -64.26 -41.84 0.12 0.00 99.88 0.02 0.01 0.06 99.89 0.02 0.00 0.00 0.00 30 E H H 103.13 2.09 17.40 18.95 91.86 49.76 -64.45 -41.36 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 31 M H H 82.37 4.69 15.82 21.44 91.88 49.75 -64.51 -41.62 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 32 H H H 98.24 4.04 16.16 21.03 91.86 49.94 -64.78 -40.28 0.35 0.00 99.65 0.03 0.01 0.22 99.69 0.04 0.00 0.00 0.00 33 E H H 102.48 1.97 17.62 18.80 91.65 50.76 -64.26 -41.36 0.34 0.00 99.66 0.03 0.02 0.21 99.70 0.05 0.00 0.00 0.00 34 R H H 125.08 2.34 17.19 19.23 91.89 50.01 -64.75 -40.54 0.41 0.00 99.59 0.03 0.02 0.27 99.62 0.06 0.00 0.00 0.00 35 C H H 50.00 5.37 13.94 20.99 91.86 51.17 -64.23 -40.86 0.38 0.00 99.62 0.05 0.02 0.22 99.65 0.06 0.00 0.00 0.00 36 K H H 116.18 2.19 16.70 18.72 91.74 50.75 -64.23 -40.68 0.31 0.00 99.69 0.04 0.02 0.17 99.73 0.05 0.00 0.00 0.00 37 K H H 115.80 1.74 16.35 17.42 91.99 49.87 -64.90 -40.78 0.49 0.00 99.51 0.07 0.03 0.27 99.56 0.07 0.00 0.00 0.00 38 I H H 78.01 4.04 13.96 19.17 92.01 49.57 -64.99 -40.94 0.70 0.00 99.30 0.11 0.05 0.38 99.32 0.13 0.00 0.00 0.00 39 K H H 108.65 3.83 13.41 18.38 92.04 51.84 -64.94 -39.54 1.21 0.00 98.78 0.18 0.08 0.77 98.46 0.51 0.00 0.00 0.00 40 E H H 121.17 1.62 13.90 15.41 92.29 51.56 -66.20 -37.63 4.57 0.01 95.42 0.31 0.21 3.81 94.09 1.56 0.00 0.00 0.00 41 M H H 120.88 2.00 12.32 14.88 93.63 50.47 -71.71 -29.48 12.10 0.02 87.88 0.78 0.67 10.31 85.87 2.35 0.01 0.01 0.01 42 W H H 153.38 4.13 9.92 15.46 97.05 54.54 -82.53 -8.30 37.16 0.40 62.44 6.85 4.82 26.10 58.07 3.68 0.06 0.16 0.26 43 A C T 81.36 2.18 11.13 14.45 99.00 93.40 -81.65 -1.24 67.83 0.91 31.26 18.07 8.43 40.80 27.98 3.79 0.02 0.40 0.52 44 L C S 101.91 3.90 8.41 14.34 115.72 108.93 -89.19 133.70 97.40 0.88 1.72 35.45 59.55 2.49 1.20 0.45 0.00 0.31 0.53 45 P C C 104.07 2.27 9.88 13.74 110.72 -111.52 -70.46 140.69 94.55 2.26 3.18 79.27 9.01 6.34 1.23 1.76 0.00 1.28 1.13 46 I C C 124.84 3.06 8.42 13.50 113.45 -145.19 -95.24 125.69 86.33 9.94 3.73 62.87 17.48 4.83 1.65 2.05 0.00 3.59 7.51 47 R C C 156.00 3.12 8.96 14.03 116.98 -143.37 -95.97 134.59 89.93 5.45 4.62 66.00 18.82 4.92 1.90 2.71 0.00 2.89 2.77 48 P C C 96.75 3.19 9.24 14.19 110.85 -110.10 -69.33 145.38 87.00 2.37 10.63 48.87 13.24 24.56 2.04 8.98 0.00 1.29 1.03 49 Y C T 178.37 2.17 9.39 12.92 107.90 -98.18 -86.27 101.94 84.30 2.06 13.64 24.23 17.99 42.26 2.47 10.92 0.01 0.99 1.14 50 G C T 49.36 2.88 10.62 14.98 114.79 29.19 114.70 -175.33 83.12 3.02 13.86 26.22 24.64 32.80 2.44 10.96 0.01 1.48 1.44 51 F C C 144.31 3.13 10.76 15.21 107.79 -51.37 -91.51 68.55 79.04 7.94 13.02 40.74 19.69 19.13 3.88 8.64 0.03 4.09 3.80 52 W C C 128.90 7.62 9.03 18.02 113.60 -146.94 -95.43 123.19 77.33 11.26 11.41 46.97 18.55 11.69 5.89 5.41 0.04 5.80 5.66 53 T C C 75.42 4.42 12.07 17.98 113.17 -150.55 -99.35 128.79 83.73 5.58 10.69 64.04 12.05 7.30 7.18 3.78 0.00 3.16 2.48 54 F H H 113.22 6.13 10.26 17.85 98.25 -143.56 -69.73 -34.30 42.07 1.89 56.04 21.07 12.97 10.74 44.09 9.32 0.08 0.94 0.78 55 E H H 141.01 1.51 13.37 14.95 94.67 56.12 -67.14 -36.06 28.66 0.70 70.63 8.28 5.51 14.62 53.38 17.39 0.10 0.41 0.30 56 R H H 141.29 2.62 13.40 16.60 94.43 50.79 -69.74 -35.58 26.13 0.78 73.09 7.63 4.38 13.51 54.65 18.96 0.10 0.46 0.31 57 H H H 75.65 7.95 10.80 20.18 95.78 51.32 -76.74 -29.15 29.97 1.12 68.91 14.57 5.58 10.69 51.48 16.53 0.06 0.59 0.50 58 N H H 75.88 5.64 12.73 19.93 94.17 66.19 -67.09 -38.56 25.79 1.02 73.20 14.82 4.99 8.07 60.25 10.87 0.04 0.55 0.42 59 A H H 62.56 2.61 14.34 17.37 93.86 55.90 -66.89 -37.24 21.04 0.60 78.36 8.24 3.50 9.42 61.98 16.25 0.05 0.36 0.21 60 Q H H 101.64 3.81 13.67 18.50 94.68 54.33 -69.56 -36.18 21.03 0.72 78.25 8.46 3.52 9.08 60.56 17.63 0.05 0.44 0.25 61 L H H 80.16 7.69 10.95 19.79 95.21 54.81 -71.81 -30.69 26.95 1.23 71.82 11.92 4.97 10.54 53.95 17.35 0.07 0.71 0.48 62 R H H 156.25 2.79 13.18 17.04 96.66 59.46 -76.09 -20.31 47.85 1.42 50.72 17.41 7.49 23.66 37.69 12.19 0.09 0.73 0.76 63 W C T 168.52 2.91 11.93 15.93 100.66 57.54 -89.33 -2.49 62.62 1.23 36.15 20.79 13.53 29.39 24.92 9.97 0.06 0.52 0.82 64 D C C 62.80 7.62 9.20 18.48 110.39 104.03 -88.81 114.12 89.86 0.66 9.48 67.21 19.14 3.25 8.04 1.65 0.00 0.22 0.49 65 P H H 93.01 2.85 12.09 16.35 93.99 -149.93 -63.51 -27.11 44.42 0.45 55.13 15.87 6.45 21.64 37.67 17.85 0.03 0.22 0.27 66 Q H H 112.28 2.35 13.84 16.72 94.18 59.76 -68.61 -30.82 29.26 0.78 69.95 8.81 4.42 14.56 44.18 27.19 0.07 0.45 0.32 67 I H H 56.98 9.91 10.34 21.48 93.53 54.78 -68.33 -32.78 12.97 0.39 86.63 3.96 1.88 6.19 45.13 42.49 0.01 0.26 0.09 68 S H G 60.86 6.31 11.82 19.82 91.69 63.04 -69.08 -20.58 20.79 0.28 78.92 3.19 2.18 13.21 38.65 42.47 0.03 0.17 0.12 69 Q H G 141.26 1.17 14.22 14.95 95.68 54.39 -93.05 -0.92 44.90 0.38 54.72 5.16 5.24 32.79 15.90 40.43 0.02 0.18 0.28 70 V C S 65.41 7.30 7.61 16.80 117.27 106.29 -78.90 140.13 97.49 0.93 1.58 32.72 63.27 1.39 1.04 0.41 0.00 0.21 0.95 71 A C T 93.22 1.19 12.10 13.72 109.28 -103.66 -64.71 137.74 84.96 1.15 13.88 11.18 11.22 61.91 2.82 11.51 0.01 0.58 0.78 72 G C T 57.82 2.01 12.54 15.40 99.39 18.12 84.94 -3.28 87.10 0.87 12.04 10.32 11.72 64.26 1.80 10.95 0.00 0.47 0.47 73 R C C 120.49 7.94 9.47 18.67 112.33 120.95 -82.71 126.38 84.77 2.73 12.50 60.10 13.52 9.90 2.34 11.21 0.00 1.27 1.66 74 R C C 130.06 5.40 12.41 19.48 119.81 150.89 -108.13 149.86 91.38 4.15 4.47 65.78 20.63 4.12 2.19 2.19 0.00 1.40 3.69 75 D C C 71.58 5.75 13.86 21.04 115.82 -108.17 -79.68 148.28 97.01 0.56 2.43 81.02 14.62 1.24 2.14 0.39 0.00 0.18 0.41 76 P H H 69.23 6.78 12.93 21.47 93.21 -123.06 -61.33 -34.25 35.27 0.22 64.51 9.08 4.91 21.24 55.71 8.79 0.03 0.11 0.13 77 Y H H 107.99 6.35 13.07 20.70 93.30 53.62 -66.78 -38.26 24.97 0.29 74.75 6.18 3.39 15.20 63.73 11.13 0.06 0.16 0.15 78 D H H 75.53 3.51 13.67 18.37 92.71 53.07 -65.97 -38.41 12.98 0.32 86.70 5.29 2.24 5.53 70.99 15.64 0.02 0.20 0.10 79 D H H 80.70 3.06 13.14 17.22 93.96 52.08 -68.41 -35.29 13.71 0.35 85.93 5.06 2.23 6.41 71.74 14.18 0.04 0.23 0.11 80 L H H 85.09 4.59 10.94 17.03 94.45 54.45 -68.57 -36.01 17.32 0.73 81.95 6.56 3.23 8.25 68.77 12.40 0.07 0.47 0.24 81 L H H 105.64 3.12 10.15 14.67 95.64 56.21 -72.47 -29.11 28.84 1.75 69.41 14.34 6.01 10.89 59.97 7.06 0.09 0.97 0.68 82 E C H 139.08 1.69 9.71 12.41 98.31 61.72 -77.06 -17.43 49.42 1.60 48.98 23.38 7.96 19.30 43.79 4.02 0.05 0.77 0.74 83 D C C 109.20 2.27 8.43 12.28 103.58 67.65 -86.94 37.71 77.91 0.58 21.52 54.49 1.98 20.23 20.86 1.83 0.00 0.27 0.33 84 N C C 115.94 2.99 10.11 14.81 106.42 140.76 -89.34 81.13 99.93 0.02 0.04 99.77 0.09 0.11 0.02 0.00 0.00 0.01 0.00