# 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 119.48 4.84 10.09 16.67 112.23 -156.65 -94.00 123.03 99.67 0.28 0.05 99.43 0.23 0.10 0.02 0.01 0.00 0.14 0.06 1 N C C 115.71 2.40 9.23 13.28 111.50 -147.87 -95.97 110.98 93.24 5.48 1.28 89.86 1.21 2.68 0.51 0.44 0.00 2.40 2.90 2 L C C 124.93 2.83 7.32 11.89 103.76 -161.05 -86.38 7.39 95.30 3.49 1.20 60.61 27.27 7.51 0.40 0.79 0.00 1.73 1.69 3 E C C 145.32 1.45 9.74 12.33 114.80 111.89 -91.38 132.60 97.25 2.36 0.40 54.70 41.58 1.28 0.14 0.21 0.00 1.03 1.06 4 P C C 94.47 3.48 9.08 14.53 115.75 -103.82 -73.43 146.69 98.31 0.72 0.97 88.48 8.37 1.55 0.54 0.34 0.00 0.34 0.39 5 P C C 81.92 5.80 8.23 15.94 113.32 -104.74 -66.12 146.28 95.35 1.27 3.38 89.30 3.53 2.79 1.98 1.00 0.00 0.51 0.89 6 K C C 147.67 2.07 10.55 13.90 112.84 -121.20 -82.81 137.49 83.99 2.46 13.55 74.71 5.56 3.53 10.26 3.19 0.00 1.01 1.74 7 A C C 78.79 3.48 8.96 14.05 105.26 -117.82 -74.54 43.76 49.64 2.65 47.71 31.18 8.59 10.38 30.45 16.88 0.02 1.51 0.98 8 E H H 136.41 2.25 10.40 13.75 103.34 78.56 -81.87 5.02 43.95 3.98 52.08 26.79 7.51 10.23 33.48 18.22 0.05 2.53 1.18 9 I H H 101.92 4.68 9.06 15.37 105.04 68.04 -86.00 54.14 38.22 5.05 56.73 24.35 7.29 7.92 38.61 17.14 0.08 3.22 1.40 10 R H H 147.35 3.68 10.81 16.00 104.65 63.69 -82.28 21.27 46.11 5.17 48.72 30.82 8.29 8.45 39.02 8.51 0.11 3.04 1.76 11 S C H 71.32 3.69 10.60 15.65 107.14 69.96 -87.26 84.53 51.93 3.30 44.77 33.15 9.32 10.81 36.87 6.70 0.05 1.81 1.30 12 A C H 76.14 3.59 9.88 15.04 100.05 65.86 -78.27 -4.72 56.01 2.88 41.10 32.31 11.20 13.48 33.11 7.16 0.05 1.61 1.07 13 T C C 94.86 3.26 10.23 14.93 105.18 84.91 -86.60 36.43 62.20 4.75 33.05 39.51 9.88 12.86 26.43 6.72 0.04 3.02 1.53 14 R C C 153.95 3.58 10.04 15.29 109.99 95.88 -87.65 115.15 66.08 9.56 24.36 46.77 9.97 8.53 19.69 5.55 0.05 5.98 3.46 15 V C C 102.15 4.13 8.75 14.67 111.40 -153.06 -91.99 119.23 75.19 9.30 15.51 58.27 7.95 7.32 13.14 3.63 0.01 5.72 3.97 16 M C C 142.52 1.97 9.93 13.31 111.59 -149.46 -91.53 129.70 83.11 6.06 10.82 50.91 13.10 18.97 7.67 3.33 0.01 3.64 2.38 17 G C C 58.68 1.72 11.31 13.95 111.46 -18.34 101.96 30.65 91.84 3.97 4.19 42.30 30.21 19.89 1.95 2.04 0.00 2.11 1.49 18 G C C 41.88 4.74 9.72 16.22 127.18 -128.10 -105.36 174.04 96.29 3.23 0.49 62.52 32.31 1.78 0.16 0.31 0.00 1.67 1.25 19 P C C 98.61 3.20 10.74 15.56 112.20 -63.31 -69.22 146.41 94.36 4.68 0.96 78.33 10.53 5.18 0.28 0.69 0.00 2.56 2.43 20 V C C 119.70 2.43 9.81 13.78 104.29 -141.34 -90.96 9.17 91.74 7.51 0.75 63.45 24.63 3.60 0.24 0.56 0.00 3.45 4.06 21 T C C 93.28 2.67 9.98 14.28 118.50 60.08 -101.61 137.32 93.12 6.62 0.25 57.77 35.45 0.77 0.08 0.17 0.00 3.70 2.05 22 P C C 100.21 3.20 9.43 14.63 113.56 -104.98 -67.96 146.78 94.07 5.26 0.67 83.20 8.72 2.04 0.19 0.49 0.00 3.50 1.87 23 R C C 161.32 3.33 8.13 13.45 113.74 -121.16 -85.40 135.20 89.65 9.39 0.96 79.67 6.90 2.13 0.36 0.57 0.00 4.02 6.34 24 K C C 165.65 1.25 9.44 11.73 110.71 -125.46 -85.42 124.37 91.61 7.53 0.85 69.16 19.09 2.82 0.32 0.55 0.00 3.37 4.70 25 G C C 49.62 2.47 8.98 13.05 125.82 -97.00 -148.52 174.27 96.34 3.30 0.36 54.27 40.74 1.62 0.12 0.22 0.00 1.59 1.45 26 P C C 103.97 2.23 9.36 13.05 115.86 -57.21 -71.28 148.22 97.24 1.13 1.63 78.56 15.64 2.99 0.74 0.83 0.00 0.54 0.69 27 P C C 96.78 3.36 8.12 13.46 113.33 -102.07 -68.68 149.01 91.72 1.20 7.08 74.98 8.40 8.32 3.18 3.70 0.00 0.59 0.82 28 K C C 165.94 1.18 9.36 11.26 107.92 -119.54 -83.83 112.98 79.09 3.24 17.67 48.94 18.29 11.64 9.55 8.09 0.01 1.47 2.01 29 F C C 139.77 3.84 6.60 12.23 112.96 -133.72 -91.37 130.47 70.20 4.26 25.54 46.63 14.22 9.23 15.37 10.28 0.03 2.13 2.11 30 K C C 154.98 1.60 9.47 12.13 110.75 -157.68 -94.40 123.45 66.77 3.97 29.26 51.07 8.49 6.82 19.89 9.84 0.01 2.32 1.55 31 Q C C 123.21 3.37 8.20 13.38 110.88 -139.15 -86.21 125.97 61.85 4.15 34.00 46.96 7.80 7.15 24.18 9.92 0.02 2.35 1.63 32 R C C 157.28 3.07 8.87 13.65 111.83 -146.20 -88.94 130.11 62.71 3.38 33.91 46.76 8.51 7.65 25.88 7.98 0.02 1.88 1.33 33 Q C C 126.45 3.01 9.14 13.86 111.64 -134.16 -90.95 122.20 64.85 3.31 31.85 47.12 9.84 8.02 25.43 6.45 0.02 1.73 1.39 34 T C C 92.29 3.72 9.14 14.54 111.56 -158.58 -95.85 122.63 62.88 3.27 33.85 43.59 11.32 8.52 27.14 6.38 0.03 1.69 1.33 35 R C C 154.43 3.55 9.34 14.64 109.62 -149.07 -90.82 104.65 61.55 3.73 34.72 39.73 11.85 10.81 26.34 7.75 0.04 2.09 1.39 36 Q C C 120.55 3.24 10.52 15.34 110.23 105.07 -94.39 109.45 61.10 5.99 32.92 40.88 11.04 9.81 24.03 8.41 0.06 3.44 2.32 37 F C C 122.16 6.39 8.92 16.59 107.26 -131.44 -88.33 92.85 60.40 7.25 32.35 38.14 11.25 11.85 21.00 10.57 0.09 4.06 3.04 38 K C C 137.05 3.48 10.91 15.80 106.43 72.33 -86.31 82.21 69.92 5.46 24.62 37.07 15.09 18.85 15.50 8.14 0.07 2.93 2.36 39 S C C 79.79 3.54 10.25 15.36 104.63 66.19 -88.22 24.61 81.47 4.88 13.65 41.09 24.60 16.73 7.25 5.52 0.03 2.20 2.59 40 K C C 131.11 3.23 10.97 15.93 119.26 93.81 -102.16 138.14 96.50 3.18 0.31 50.41 45.95 0.55 0.15 0.13 0.00 1.13 1.68 41 P C C 91.43 3.65 11.59 17.01 116.79 -103.78 -66.87 149.45 99.03 0.84 0.13 93.49 5.22 0.38 0.05 0.06 0.00 0.41 0.39 42 P C C 74.84 9.04 8.37 18.50 113.90 -104.47 -65.61 147.62 96.93 2.09 0.98 87.06 7.37 2.15 0.33 0.56 0.00 0.86 1.67 43 K C C 145.39 2.33 11.47 15.17 117.79 -127.79 -91.28 146.78 92.47 5.62 1.91 73.85 13.85 3.22 0.64 1.28 0.00 1.78 5.38 44 K C T 171.32 1.16 10.63 12.72 109.91 -85.27 -64.82 134.56 89.09 3.42 7.49 13.85 15.70 58.97 1.27 6.44 0.01 1.96 1.81 45 G C T 59.31 1.81 11.91 14.18 99.16 16.28 84.00 -3.44 91.28 2.99 5.73 19.01 15.66 56.46 0.90 5.01 0.00 2.01 0.95 46 V C C 75.59 8.25 8.62 18.25 114.53 124.76 -91.96 128.27 83.40 12.54 4.06 65.71 11.69 4.67 1.31 2.96 0.00 6.28 7.38 47 Q C C 123.66 3.35 13.47 18.44 116.30 -161.28 -99.45 135.11 83.24 13.49 3.27 63.78 10.72 8.02 1.05 2.37 0.01 8.61 5.43 48 G C C 38.80 7.84 12.89 21.74 121.22 -9.17 71.63 169.58 85.59 11.47 2.94 52.28 19.85 13.71 0.62 2.61 0.00 7.31 3.62 49 F C C 110.46 8.43 11.92 21.34 112.15 -102.16 -99.44 93.76 82.53 13.76 3.71 56.32 16.16 9.24 1.03 2.97 0.01 6.98 7.29 50 G C C 40.37 5.90 13.17 20.34 114.47 -122.41 -48.47 -166.97 86.36 6.78 6.86 42.81 22.60 21.12 0.96 6.22 0.00 3.46 2.83 51 D C T 112.04 3.06 12.77 17.13 98.41 -26.20 -81.86 -5.75 88.81 3.21 7.98 21.46 30.28 37.18 0.88 7.22 0.00 1.68 1.30 52 D C C 111.08 2.39 13.28 16.40 100.01 61.91 -88.74 1.30 88.47 4.45 7.08 35.14 25.81 27.60 0.99 6.27 0.01 2.19 1.98 53 I C C 65.25 9.82 8.25 19.34 113.83 100.56 -94.30 123.89 90.18 7.98 1.84 54.79 32.97 2.18 0.77 0.97 0.01 2.57 5.74 54 P C T 95.41 2.85 13.76 17.60 110.71 -118.02 -64.19 139.79 76.56 2.53 20.91 17.95 9.12 49.16 3.47 17.59 0.02 1.52 1.18 55 G C T 51.87 3.57 13.81 18.42 98.55 15.55 77.03 -1.87 75.31 2.65 22.05 15.06 9.75 50.16 3.91 18.33 0.02 1.64 1.13 56 M C C 78.20 10.78 9.19 20.48 98.94 96.56 -89.01 3.52 65.20 7.10 27.70 42.41 10.95 11.83 5.40 22.39 0.02 3.83 3.16 57 E C T 132.73 3.40 12.05 17.49 107.29 113.34 -71.89 116.90 74.42 6.97 18.61 19.44 11.40 43.87 4.51 13.37 0.10 3.85 3.47 58 G C T 59.77 1.71 14.04 16.05 98.70 19.53 75.76 0.02 78.48 4.47 17.05 17.93 13.64 47.24 3.39 13.37 0.03 2.73 1.67 59 L C C 87.77 7.74 9.75 18.83 106.54 101.65 -90.13 42.83 78.07 9.16 12.78 43.41 17.81 17.36 3.22 9.23 0.05 4.41 4.53 60 G C C 43.07 5.12 12.53 18.98 116.27 -131.93 -88.31 170.37 84.00 9.62 6.39 43.08 23.66 18.05 1.90 4.30 0.03 5.41 3.56 61 T C C 96.12 4.17 11.70 17.45 106.44 -106.63 -90.84 23.35 81.85 9.12 9.03 35.05 27.98 20.20 3.13 5.41 0.04 5.53 2.67 62 D C C 104.02 3.26 12.41 17.01 103.67 78.46 -90.32 44.21 76.39 12.87 10.74 42.10 20.32 15.21 4.73 5.67 0.06 8.78 3.13 63 I C C 93.49 7.41 10.49 19.30 113.75 130.00 -96.79 124.34 62.74 20.97 16.29 42.44 11.82 8.75 9.76 6.80 0.13 16.75 3.54 64 T C C 87.79 4.93 13.54 19.84 107.43 135.30 -98.58 22.69 55.49 27.92 16.59 35.53 11.66 9.18 10.32 6.37 0.19 23.68 3.06 65 V C C 81.82 7.17 14.24 22.63 116.03 73.36 -101.69 128.19 49.18 34.88 15.94 28.99 13.42 8.12 11.08 5.49 0.27 28.35 4.28 66 I C C 73.61 9.49 13.78 24.54 117.69 -161.36 -105.25 127.13 55.00 33.76 11.24 35.80 13.83 5.37 8.56 3.56 0.23 24.92 7.74 67 C C C 47.24 8.70 14.96 25.15 115.41 -124.87 -81.94 139.90 77.16 10.22 12.62 58.18 13.90 4.65 9.64 3.80 0.03 7.33 2.48 68 P H H 61.17 9.73 15.15 25.94 93.69 -118.23 -63.41 -27.96 46.31 2.68 51.00 11.63 7.70 26.20 30.81 20.66 0.32 1.74 0.94 69 W H H 117.04 8.77 14.54 24.27 94.07 59.51 -72.12 -29.09 36.45 2.24 61.31 7.03 5.64 21.60 33.99 29.15 0.36 1.41 0.82 70 E H H 99.97 5.67 16.16 22.82 93.94 60.41 -69.08 -32.39 28.39 3.27 68.34 8.39 5.49 14.02 34.84 33.94 0.27 2.07 0.98 71 A H H 48.90 8.21 14.27 23.67 94.92 58.52 -73.88 -25.13 38.82 4.40 56.78 10.44 7.32 19.94 29.86 27.49 0.59 2.61 1.76 72 F C T 75.03 11.41 11.48 23.71 101.02 50.93 -97.90 12.08 57.57 6.41 36.02 23.38 10.32 23.97 17.88 17.52 0.24 3.42 3.27 73 N C T 101.64 5.15 13.43 20.29 95.79 114.43 -68.37 -22.13 80.25 3.90 15.85 19.02 12.83 48.34 8.67 7.05 0.06 2.41 1.62 74 H C T 145.30 2.06 14.56 17.03 97.18 53.92 -89.78 0.33 82.52 3.83 13.65 16.61 17.69 48.87 5.46 7.52 0.06 2.45 1.33 75 L C C 57.62 11.58 8.87 21.22 118.99 100.65 -90.66 143.95 84.51 10.44 5.05 50.40 31.66 2.79 3.20 1.93 0.01 4.73 5.28 76 E C C 109.04 2.47 16.40 18.78 115.71 -109.89 -73.41 149.47 83.74 12.21 4.05 80.06 3.14 0.87 3.40 0.74 0.00 5.13 6.66 77 L H H 98.19 7.70 11.15 20.33 92.53 -114.03 -58.52 -38.04 6.89 0.63 92.47 2.87 1.64 3.12 82.81 8.94 0.05 0.42 0.15 78 H H H 132.25 1.79 15.06 16.84 92.41 54.76 -65.49 -36.48 3.55 0.57 95.88 0.78 0.75 2.36 84.80 10.70 0.06 0.48 0.08 79 E H H 86.61 4.33 15.07 20.62 92.87 51.49 -67.40 -38.79 2.30 0.78 96.93 0.63 0.48 1.57 84.27 12.16 0.03 0.79 0.07 80 L H H 39.10 11.82 11.05 24.09 92.44 53.60 -65.04 -40.48 4.00 1.28 94.72 1.21 0.85 2.44 84.80 9.38 0.11 1.00 0.21 81 A H H 54.37 5.48 13.14 20.22 92.20 53.76 -66.12 -35.16 14.20 1.11 84.69 3.30 1.51 9.21 73.78 10.88 0.13 0.89 0.30 82 Q H H 129.23 1.80 14.51 16.64 92.58 57.11 -68.63 -27.67 32.45 0.60 66.95 2.69 2.26 26.11 59.65 8.48 0.15 0.37 0.29 83 Y C T 122.97 5.87 12.30 19.66 97.91 50.87 -90.01 -2.47 63.96 0.58 35.46 3.84 5.05 52.54 32.51 5.38 0.05 0.29 0.34 84 G C T 44.84 5.40 13.84 20.46 100.73 -110.32 80.76 12.93 91.45 2.16 6.39 20.73 9.12 62.24 4.31 1.71 0.00 1.16 0.73 85 I C C 85.37 8.05 11.26 20.59 106.02 128.51 -88.45 46.14 87.90 9.72 2.39 81.96 2.34 3.25 1.37 0.78 0.00 5.05 5.26 86 I C C 88.91 9.01 13.60 23.28 109.91 80.88 -94.82 105.21 98.46 1.44 0.10 98.08 0.48 0.14 0.04 0.03 0.00 0.93 0.29