# 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 119.42 5.18 11.66 18.21 114.24 -161.19 -96.20 128.61 99.78 0.19 0.03 99.66 0.14 0.05 0.01 0.00 0.00 0.10 0.03 1 M C C 120.84 4.40 8.63 14.73 114.73 -146.46 -91.60 133.72 87.66 9.35 2.98 85.49 1.28 1.59 1.90 0.70 0.00 5.92 3.14 2 A C C 78.93 2.78 9.26 13.74 113.45 -121.93 -80.37 140.44 83.30 11.37 5.33 72.51 7.20 3.16 3.36 1.99 0.00 8.87 2.92 3 V C C 104.31 4.11 8.32 14.33 113.96 -127.68 -86.69 135.69 80.94 11.91 7.15 69.74 7.35 3.20 4.88 2.53 0.00 8.50 3.79 4 K C C 135.70 3.42 9.01 14.26 112.98 -140.11 -91.56 135.00 82.69 8.03 9.28 69.70 8.87 3.65 6.91 2.76 0.00 5.20 2.90 5 K C C 149.54 2.49 9.46 13.56 104.66 -145.18 -85.70 42.71 80.54 3.77 15.69 60.70 12.75 6.80 11.64 4.44 0.00 2.27 1.39 6 S C C 76.37 3.41 9.19 14.26 109.81 56.55 -85.67 122.59 79.05 2.14 18.82 56.38 13.40 9.19 12.96 5.97 0.01 1.17 0.92 7 R C C 156.37 3.34 9.33 14.33 109.13 -119.20 -88.69 115.58 76.54 2.75 20.71 53.90 13.10 9.41 14.44 6.44 0.01 1.48 1.23 8 K C C 134.59 3.72 9.62 15.10 113.01 -137.16 -89.68 128.77 78.12 3.66 18.22 57.72 12.66 7.41 13.47 5.06 0.01 1.98 1.69 9 R C C 150.78 3.82 9.82 15.44 113.76 -140.84 -92.82 132.50 78.49 3.66 17.85 58.89 13.05 5.92 14.85 3.63 0.00 1.85 1.80 10 T C C 87.95 4.22 10.10 15.97 113.44 -127.78 -87.63 140.13 78.46 1.79 19.75 58.29 11.61 7.99 16.20 4.14 0.00 0.89 0.88 11 A C C 72.58 4.03 10.42 16.03 109.50 -109.30 -77.63 136.59 73.93 1.25 24.83 52.62 12.15 9.03 19.16 5.79 0.00 0.59 0.66 12 A C C 68.38 5.47 9.47 16.51 110.07 -112.18 -79.23 127.92 70.95 1.36 27.69 53.15 9.70 8.25 19.72 7.82 0.00 0.66 0.70 13 T C C 95.17 3.30 10.38 15.32 108.17 -128.82 -86.78 91.35 71.41 1.65 26.94 52.34 10.37 8.66 18.17 8.80 0.00 0.82 0.83 14 E C C 136.20 2.70 11.25 15.35 108.45 -107.39 -85.58 104.19 75.23 1.65 23.12 53.90 12.29 8.96 14.79 8.36 0.00 0.81 0.89 15 L C C 95.88 7.18 8.47 16.98 111.36 73.58 -85.26 128.72 82.63 1.63 15.74 61.43 12.45 8.72 9.69 5.93 0.00 0.79 0.97 16 K C C 143.84 2.89 11.48 15.93 110.98 -152.84 -90.69 128.09 90.51 1.70 7.79 67.69 16.88 5.82 4.70 2.91 0.00 0.72 1.27 17 K C C 134.00 3.77 11.14 16.81 116.04 -113.00 -90.94 133.14 97.11 0.93 1.97 76.77 18.85 1.52 1.28 0.65 0.00 0.38 0.55 18 P C C 80.78 7.29 10.25 19.16 112.50 -108.49 -66.87 146.63 95.58 1.16 3.25 81.96 8.58 5.14 1.22 1.85 0.00 0.58 0.67 19 R C C 150.17 4.73 12.78 19.11 113.54 -124.38 -89.99 133.83 94.43 2.15 3.42 79.25 10.13 4.88 1.37 1.90 0.00 0.92 1.53 20 R C C 148.37 4.70 15.53 21.72 114.91 -111.27 -84.80 139.23 93.45 3.26 3.29 70.19 19.92 3.00 1.91 1.30 0.00 1.20 2.48 21 N C C 35.67 15.41 12.18 27.83 109.71 -119.32 -82.10 119.82 95.74 1.82 2.43 83.81 10.59 1.12 2.05 0.43 0.00 0.56 1.43 22 Q H H 71.91 7.86 19.21 28.43 93.38 -150.34 -64.89 -33.32 7.31 0.09 92.59 1.85 1.58 4.52 88.68 3.21 0.07 0.04 0.05 23 L H H 12.67 20.52 13.16 33.57 92.19 53.07 -65.44 -40.45 5.15 0.05 94.79 0.65 0.60 3.90 89.23 5.53 0.04 0.03 0.02 24 E H H 95.97 8.31 15.87 25.05 92.36 51.04 -65.46 -39.66 2.92 0.03 97.05 0.40 0.30 2.15 90.49 6.63 0.01 0.02 0.01 25 A H H 78.48 2.35 16.14 19.05 91.18 55.41 -66.67 -28.42 7.34 0.03 92.63 0.54 0.57 6.01 85.87 6.94 0.03 0.02 0.01 26 L C T 75.62 9.03 13.07 23.34 93.77 54.26 -84.88 -3.96 62.76 0.08 37.16 0.74 1.79 61.07 31.81 4.44 0.02 0.03 0.10 27 G C T 52.90 2.21 18.83 20.77 96.32 -111.23 78.08 18.12 99.23 0.02 0.75 2.70 1.56 95.25 0.34 0.13 0.00 0.01 0.01 28 V C C 30.96 17.97 8.95 26.17 112.51 149.56 -91.24 123.65 96.34 2.02 1.65 93.46 2.09 1.01 0.51 0.84 0.00 0.85 1.24 29 T C C 97.53 3.16 18.89 22.96 101.93 174.69 -104.05 -13.53 96.60 1.73 1.67 58.51 34.30 3.71 0.29 1.61 0.00 0.93 0.65 30 T C C 78.07 5.29 20.83 27.10 126.95 46.85 -125.62 138.87 89.09 9.42 1.49 60.38 24.97 3.85 0.29 1.54 0.00 5.20 3.77 31 I C C 20.98 22.46 11.99 33.83 122.80 -167.65 -118.11 132.87 90.55 9.14 0.31 87.82 2.79 0.25 0.11 0.17 0.00 4.31 4.56 32 D C C 63.42 6.22 22.98 29.42 111.93 -154.48 -104.75 117.34 98.08 1.80 0.12 97.48 0.80 0.12 0.04 0.04 0.00 0.73 0.80 33 Y C T 62.75 19.09 12.82 31.47 92.76 -152.77 -67.36 -19.26 95.26 0.09 4.65 0.80 3.50 90.92 0.26 4.44 0.00 0.04 0.04 34 K C T 140.96 3.26 18.64 22.69 92.31 63.65 -81.07 -11.24 95.66 0.08 4.27 0.66 3.97 91.07 0.22 4.02 0.00 0.04 0.03 35 D C C 62.30 7.97 15.25 24.77 106.47 77.03 -103.30 92.33 95.19 1.74 3.07 82.63 10.03 1.79 1.03 2.25 0.00 0.55 1.72 36 V H H 59.60 14.46 12.69 27.40 93.81 167.66 -64.47 -33.65 4.04 0.03 95.94 1.08 0.61 2.34 92.24 3.70 0.01 0.01 0.01 37 A H H 71.59 2.19 19.94 21.56 91.42 59.36 -63.40 -39.46 1.60 0.01 98.39 0.12 0.12 1.34 93.90 4.51 0.00 0.00 0.00 38 V H H 32.61 11.71 17.65 30.58 92.38 49.80 -65.83 -41.05 0.86 0.01 99.13 0.07 0.06 0.69 94.93 4.24 0.00 0.00 0.00 39 L H H 4.70 25.30 13.67 39.14 91.32 52.39 -63.81 -40.93 0.93 0.01 99.07 0.09 0.07 0.69 95.10 4.04 0.00 0.00 0.00 40 R H H 120.53 9.54 20.73 30.63 91.07 55.45 -64.57 -33.15 5.08 0.03 94.89 0.30 0.27 4.24 76.66 18.50 0.01 0.02 0.01 41 T H H 77.40 4.77 23.86 28.75 91.73 55.45 -71.12 -26.33 21.01 0.04 78.94 0.40 0.73 20.27 59.64 18.84 0.05 0.02 0.04 42 F H H 15.54 21.18 16.76 38.34 96.54 47.98 -94.30 -9.52 37.69 0.18 62.13 1.30 2.48 32.70 46.45 16.73 0.09 0.10 0.15 43 L E B 23.92 20.18 13.86 33.91 121.94 89.75 -93.73 142.35 7.78 91.90 0.31 3.72 1.23 0.04 0.27 0.02 0.00 6.49 88.23 44 S C C 31.30 9.08 15.01 25.89 123.97 -130.71 -79.11 173.26 96.90 2.95 0.15 97.06 0.39 0.14 0.04 0.05 0.00 1.64 0.68 45 E C T 162.29 1.54 15.05 17.13 90.59 -89.03 -64.51 -21.02 98.31 0.71 0.98 0.49 4.30 93.70 0.05 0.86 0.00 0.43 0.17 46 R C T 159.17 1.99 17.38 19.11 92.93 55.17 -88.47 1.95 98.65 0.15 1.19 0.23 3.86 94.57 0.03 1.19 0.00 0.07 0.05 47 G C S 15.21 16.79 13.23 29.98 95.83 -106.11 81.87 9.76 99.04 0.37 0.59 9.63 87.45 2.09 0.04 0.48 0.00 0.15 0.16 48 K C C 94.88 6.03 22.61 29.52 122.69 132.42 -93.70 148.15 93.62 6.22 0.15 73.41 20.07 0.35 0.08 0.08 0.00 2.57 3.45 49 I E B 18.10 22.71 14.88 37.65 113.06 -110.00 -79.05 131.51 12.61 87.20 0.19 8.67 1.02 0.05 0.19 0.02 0.00 11.42 78.62 50 R C C 66.71 12.98 19.22 32.69 115.32 -123.95 -80.55 141.30 93.39 6.29 0.32 91.71 2.13 0.22 0.21 0.09 0.00 4.38 1.25 51 S C C 35.71 10.07 19.41 30.24 118.38 -115.68 -76.48 156.12 93.10 2.32 4.59 88.52 3.49 0.77 4.53 0.35 0.00 0.88 1.48 52 R H H 109.92 12.87 13.55 26.51 92.29 -114.69 -60.88 -32.64 11.54 0.15 88.31 1.63 2.26 8.36 82.81 4.68 0.11 0.06 0.09 53 H H H 149.48 1.61 17.37 18.84 92.28 57.32 -67.69 -32.27 11.28 0.15 88.57 1.06 1.49 9.04 81.04 7.02 0.19 0.08 0.08 54 V H H 78.55 7.11 16.21 24.22 98.68 40.42 -84.76 -32.86 13.39 0.20 86.42 1.15 2.14 10.60 79.81 5.78 0.30 0.09 0.13 55 T H H 24.65 17.78 12.22 29.37 100.81 41.69 -96.38 -15.00 22.07 0.39 77.53 3.76 6.51 13.55 73.88 1.70 0.17 0.14 0.30 56 G C C 49.87 3.19 21.76 24.95 95.40 -121.80 76.70 13.86 98.86 0.47 0.66 57.22 18.12 23.66 0.26 0.30 0.00 0.22 0.22 57 L C C 21.20 20.39 9.17 28.74 120.56 137.88 -81.58 147.45 97.35 2.47 0.18 79.74 16.66 0.26 0.12 0.05 0.00 0.62 2.55 58 T C C 64.25 3.54 19.94 23.31 118.61 -110.40 -72.44 159.84 99.62 0.31 0.06 98.99 0.68 0.03 0.04 0.01 0.00 0.09 0.16 59 P H H 87.77 6.22 14.73 22.58 90.98 -107.35 -57.29 -38.29 1.67 0.00 98.33 0.29 0.20 0.99 98.05 0.47 0.00 0.00 0.00 60 Q H H 118.90 1.76 20.00 20.84 91.39 52.66 -63.94 -40.01 0.81 0.00 99.19 0.09 0.06 0.56 98.78 0.51 0.00 0.00 0.00 61 Q H H 45.81 13.26 17.60 31.26 92.33 48.42 -66.67 -39.73 0.27 0.00 99.73 0.04 0.02 0.17 99.40 0.38 0.00 0.00 0.00 62 Q H H 29.34 19.18 15.97 34.69 91.50 52.88 -62.07 -42.55 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 63 R H H 134.13 3.47 24.13 27.60 91.28 50.49 -63.66 -41.11 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 64 Q H H 77.96 7.11 24.16 31.51 91.58 49.73 -65.02 -41.47 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 65 V H H 5.24 24.07 19.27 43.33 91.69 49.29 -64.60 -42.56 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 66 A H H 22.33 14.87 22.74 37.54 91.34 51.19 -62.51 -42.61 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 67 T H H 69.64 3.21 27.24 29.91 91.54 49.47 -64.07 -42.12 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 68 A H H 14.50 14.84 22.19 37.60 91.47 50.45 -64.16 -42.82 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 69 I H H 9.28 23.08 20.05 42.64 91.63 49.45 -63.81 -43.16 0.12 0.00 99.88 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 70 K H H 94.36 7.60 24.88 32.82 91.31 50.47 -62.84 -42.13 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 71 N H H 71.03 4.64 24.29 28.90 91.61 49.16 -64.49 -41.74 0.23 0.00 99.77 0.01 0.01 0.17 99.77 0.04 0.00 0.00 0.00 72 A H H 8.54 16.97 17.02 35.12 91.59 51.17 -63.69 -42.40 0.24 0.00 99.76 0.02 0.01 0.17 99.66 0.14 0.00 0.00 0.00 73 R H H 80.38 12.69 17.78 30.55 91.94 50.65 -64.05 -41.58 0.38 0.00 99.62 0.02 0.02 0.29 99.42 0.25 0.00 0.00 0.00 74 E H H 121.09 2.76 18.87 21.81 91.92 50.20 -65.16 -37.59 0.97 0.00 99.03 0.04 0.03 0.85 98.77 0.32 0.00 0.00 0.00 75 M H H 99.41 5.53 15.45 22.00 92.96 51.69 -76.91 -18.76 7.26 0.01 92.74 0.14 0.22 7.16 91.91 0.55 0.01 0.00 0.00 76 A C T 65.86 7.49 14.95 23.27 96.08 -85.94 41.81 0.85 64.24 0.05 35.71 0.58 1.55 60.81 36.12 0.88 0.01 0.01 0.05 77 L C T 101.36 5.65 15.54 22.27 97.20 90.76 -84.00 -7.39 82.18 0.24 17.58 3.42 6.49 69.75 18.88 1.18 0.01 0.09 0.19 78 L C S 61.31 11.83 9.99 22.48 119.66 75.82 -102.89 136.76 97.32 1.36 1.33 41.75 53.67 2.06 0.78 0.42 0.00 0.48 0.83 79 P C C 91.49 3.50 14.35 19.08 109.97 -115.25 -68.39 140.79 97.37 1.02 1.60 74.31 15.30 7.73 0.41 1.22 0.00 0.56 0.48 80 M C C 122.69 5.68 10.40 17.84 107.31 -146.44 -90.72 86.99 88.69 8.07 3.23 64.79 15.12 8.05 1.00 2.32 0.00 3.59 5.14 81 A C C 80.83 3.18 9.91 14.93 111.56 112.00 -94.12 116.87 93.64 4.91 1.45 75.29 12.80 5.18 0.43 1.10 0.00 2.77 2.43 82 G C C 46.04 3.82 9.71 15.38 124.02 -150.00 -116.06 168.26 98.69 1.26 0.05 95.49 3.11 0.26 0.02 0.02 0.00 0.70 0.40 83 P C C 106.03 2.63 13.07 16.95 110.10 -62.11 -68.81 144.61 99.89 0.09 0.02 99.63 0.23 0.07 0.01 0.00 0.00 0.05 0.02