# 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 109.47 6.20 10.56 18.35 114.48 -159.34 -94.90 132.27 99.29 0.45 0.26 98.91 0.32 0.21 0.17 0.04 0.00 0.25 0.10 1 K C C 147.51 2.36 9.36 13.47 116.34 -155.43 -99.22 130.55 77.48 8.67 13.85 72.35 1.79 3.44 11.92 2.01 0.00 6.29 2.19 2 R C C 162.29 2.75 8.47 12.97 115.18 -150.82 -96.20 128.86 67.13 14.04 18.83 52.64 7.47 5.58 16.42 3.73 0.03 11.82 2.31 3 F C C 138.39 3.67 9.15 14.48 113.26 -159.41 -95.71 123.58 60.76 17.24 22.00 45.67 7.91 5.81 18.85 4.37 0.06 14.98 2.34 4 I C C 101.29 5.57 8.79 15.88 115.49 -151.54 -99.38 121.94 59.61 17.12 23.27 44.50 7.93 5.99 20.14 4.24 0.08 14.69 2.43 5 Q C C 120.54 3.20 10.65 15.38 113.28 -158.87 -96.90 127.19 65.33 11.40 23.27 44.58 10.32 9.05 20.44 4.21 0.05 9.47 1.87 6 S C C 70.37 4.31 10.08 15.91 111.38 -137.49 -89.66 131.27 71.08 6.87 22.05 45.86 13.51 10.68 18.97 4.32 0.03 5.16 1.47 7 R C C 151.01 3.92 10.13 15.63 104.85 -150.21 -82.07 23.97 61.49 6.07 32.44 39.55 11.56 10.04 26.10 6.96 0.04 4.39 1.36 8 R C C 154.72 2.89 10.74 14.99 104.29 78.44 -84.76 18.35 55.34 8.06 36.60 34.40 10.60 10.33 28.08 8.75 0.06 6.22 1.55 9 V C C 93.32 4.34 10.92 16.65 105.07 66.94 -85.63 -4.75 48.14 12.45 39.41 30.79 8.69 9.10 29.26 9.96 0.10 10.16 1.95 10 W C C 134.25 6.95 9.68 17.79 107.19 71.71 -88.41 72.97 48.04 14.05 37.90 30.35 8.67 9.23 28.33 9.72 0.12 11.46 2.11 11 N C C 103.71 3.50 12.51 17.31 108.02 94.58 -89.20 88.45 55.24 12.82 31.94 36.60 8.42 9.39 25.08 7.73 0.06 10.93 1.80 12 L C C 99.24 5.24 10.29 17.08 109.70 98.82 -87.61 112.29 56.80 10.96 32.24 38.96 10.41 6.93 26.70 6.19 0.05 9.19 1.55 13 M C C 111.49 4.31 11.00 16.85 109.82 -141.95 -87.28 120.99 58.28 11.25 30.47 42.11 7.40 7.98 25.60 5.78 0.04 9.51 1.58 14 D C C 91.46 3.96 10.71 16.28 108.77 -141.35 -86.78 112.15 59.70 11.88 28.43 43.66 6.97 8.22 23.82 5.54 0.03 9.75 2.01 15 I C C 104.56 5.14 8.77 15.52 102.49 -165.45 -85.01 3.79 59.23 11.63 29.14 40.79 8.26 9.77 24.06 5.73 0.04 9.14 2.21 16 R C C 160.02 2.56 9.54 13.62 104.42 72.25 -85.16 22.55 70.30 8.41 21.29 45.86 10.19 13.43 17.46 4.70 0.03 6.46 1.87 17 R C C 169.63 1.94 9.72 12.88 104.00 60.13 -85.59 5.09 81.65 5.41 12.94 48.98 19.32 12.96 9.96 3.50 0.01 3.63 1.63 18 R C C 164.89 2.18 10.58 14.17 115.20 57.63 -103.37 119.22 94.17 3.29 2.53 59.99 31.93 2.36 1.94 0.65 0.00 1.86 1.27 19 P C C 84.76 5.25 9.62 16.80 116.53 -116.44 -70.06 149.61 95.20 1.39 3.41 84.22 8.30 2.59 2.74 0.77 0.00 0.91 0.46 20 P C C 79.67 6.59 10.32 18.60 113.44 -103.73 -67.12 148.07 85.17 3.62 11.21 73.30 5.82 5.66 8.80 2.75 0.00 2.30 1.38 21 V C C 105.75 3.66 12.01 17.09 115.11 -135.89 -96.24 137.38 66.43 14.84 18.73 50.61 8.95 5.73 15.81 4.13 0.04 9.79 4.93 22 L C C 91.11 7.88 9.08 18.21 114.09 -133.40 -89.91 130.98 50.99 14.21 34.79 37.46 7.59 5.74 29.47 5.71 0.05 11.55 2.44 23 N C H 106.18 3.46 12.60 17.30 110.14 -153.93 -94.77 130.20 44.99 11.29 43.72 29.66 7.85 8.02 36.09 7.29 0.08 9.42 1.59 24 R H H 153.68 3.75 12.45 17.25 105.36 -79.37 -84.93 28.26 36.71 11.99 51.31 22.24 7.15 8.49 42.42 7.49 0.16 10.45 1.59 25 L H H 91.05 7.03 11.27 19.37 107.11 70.79 -89.60 77.27 30.63 12.62 56.75 20.87 5.13 5.84 48.59 6.36 0.09 11.71 1.42 26 R H H 139.36 4.61 13.71 19.44 105.81 109.64 -78.91 68.20 26.16 13.13 60.71 16.34 4.42 6.57 53.14 5.42 0.13 12.65 1.33 27 G H H 38.26 5.77 13.94 20.78 107.92 52.45 -67.26 32.65 26.75 12.30 60.94 15.50 4.52 7.69 53.03 5.79 0.15 12.21 1.10 28 V H H 75.98 7.26 13.13 21.52 110.09 55.33 -89.96 109.85 20.17 14.61 65.21 12.94 3.45 4.99 56.94 5.65 0.12 14.82 1.10 29 L H H 83.06 7.20 13.07 21.52 113.05 -137.76 -87.81 131.25 21.36 15.00 63.64 13.72 3.57 5.35 54.58 6.43 0.14 14.95 1.27 30 Q H H 108.31 4.71 14.47 20.20 111.71 -135.62 -86.84 123.66 28.10 12.82 59.08 16.41 4.66 8.12 50.19 6.77 0.18 12.27 1.41 31 F H H 110.90 7.37 12.13 20.62 110.14 -144.56 -87.95 115.75 34.33 9.46 56.21 19.33 6.18 10.66 46.92 7.11 0.18 8.04 1.57 32 A C H 61.75 6.57 12.06 19.93 108.95 -135.71 -86.46 107.22 50.66 7.09 42.26 28.58 7.89 14.84 36.68 5.13 0.11 5.16 1.62 33 Q C C 123.46 3.77 11.76 17.07 108.66 -144.90 -90.36 91.06 65.68 7.02 27.30 32.18 13.71 20.68 22.10 4.76 0.19 4.23 2.16 34 Q C C 108.91 4.72 9.68 16.29 116.10 59.71 -99.65 128.21 93.77 3.37 2.86 54.16 37.25 2.72 2.15 0.70 0.00 1.53 1.49 35 P C C 101.97 3.02 10.33 15.07 110.49 -112.74 -68.72 141.18 93.56 1.13 5.31 75.04 7.97 10.65 3.24 1.89 0.00 0.67 0.53 36 G C C 51.99 2.89 10.35 14.72 112.58 27.90 -104.21 171.41 86.32 1.80 11.88 56.59 14.51 15.18 7.16 4.65 0.00 0.92 0.97 37 A C C 80.64 2.66 10.39 14.31 110.69 -70.95 -83.14 125.46 72.02 4.38 23.60 51.17 11.18 9.13 15.66 8.57 0.01 2.63 1.64 38 L C C 111.65 4.22 9.06 14.91 106.98 -140.48 -84.73 74.73 58.37 9.15 32.48 37.66 10.65 9.94 21.69 11.23 0.07 6.52 2.24 39 S C C 71.78 4.26 9.96 15.84 108.87 84.19 -88.04 111.70 53.90 12.94 33.16 35.35 9.54 8.95 21.76 11.71 0.09 10.31 2.28 40 R C C 160.79 2.78 10.82 15.02 109.11 56.37 -89.83 96.39 49.28 17.51 33.21 31.38 10.36 7.95 22.81 10.46 0.16 14.16 2.72 41 H C C 124.45 4.63 9.40 15.67 110.09 55.63 -89.61 114.95 53.39 18.52 28.09 36.07 9.48 7.59 20.39 8.20 0.15 15.03 3.07 42 R C C 151.66 3.86 9.86 15.45 110.97 -154.03 -92.81 120.31 62.26 15.85 21.89 43.52 8.83 9.18 16.07 6.54 0.12 12.23 3.50 43 Q C C 130.86 2.94 10.11 14.65 110.38 -131.22 -85.51 121.10 72.46 10.56 16.97 33.11 13.23 26.64 11.04 5.79 0.12 7.37 2.72 44 G C T 53.84 3.38 10.92 15.70 109.63 0.82 74.71 69.71 83.53 5.63 10.85 29.80 20.18 34.53 5.25 5.02 0.03 3.69 1.51 45 G C C 46.94 4.97 11.33 17.76 117.77 138.64 -128.88 163.38 79.62 11.52 8.87 37.78 24.47 18.77 3.42 5.02 0.04 8.13 2.39 46 D C C 102.20 3.85 12.52 17.86 116.00 -121.81 -100.05 135.10 68.73 22.88 8.39 43.54 15.09 10.63 3.96 4.63 0.06 17.93 4.15 47 Y C C 113.36 9.60 10.27 20.81 119.79 -161.97 -108.44 135.47 59.02 30.96 10.02 41.28 11.39 5.67 6.86 3.92 0.11 23.47 7.30 48 N C C 93.60 4.58 14.11 20.05 111.71 -150.80 -97.48 117.96 67.35 21.09 11.56 51.71 8.60 5.80 8.27 3.94 0.03 17.70 3.95 49 C C T 70.48 9.07 11.08 20.94 102.34 -167.49 -83.04 -6.59 57.18 8.96 33.85 20.29 10.12 27.32 20.06 13.32 0.28 6.65 1.96 50 S C T 73.71 3.54 14.42 18.91 99.29 64.86 -77.12 -19.49 54.94 6.34 38.71 16.63 10.95 28.08 23.41 14.45 0.42 4.36 1.69 51 M C C 100.94 6.19 12.96 20.42 101.33 66.25 -80.79 -14.40 48.96 10.51 40.53 27.50 11.64 10.71 27.31 12.78 0.17 7.64 2.26 52 R C C 127.37 7.05 13.37 21.48 102.80 75.92 -81.95 12.05 48.50 16.05 35.46 30.76 9.19 8.96 27.88 7.39 0.17 12.29 3.36 53 V C H 78.73 7.29 13.70 22.04 103.84 91.91 -86.69 0.43 42.39 18.04 39.57 26.35 9.17 7.93 30.59 8.28 0.22 14.44 3.03 54 S C C 56.25 6.62 14.93 22.60 106.05 67.77 -82.42 34.46 42.94 16.96 40.09 28.17 7.70 7.47 27.30 12.62 0.11 14.36 2.27 55 I H H 89.25 8.56 13.72 23.03 100.84 53.60 -77.51 -16.84 39.51 18.20 42.28 17.82 8.96 14.42 26.74 14.49 0.50 14.37 2.72 56 Y C H 124.31 7.86 14.00 22.69 103.50 56.35 -91.66 10.34 44.68 19.29 36.03 18.76 10.72 17.08 22.18 12.72 0.88 13.85 3.82 57 S C C 58.75 7.92 13.20 22.22 108.30 76.25 -94.41 84.36 60.79 17.43 21.78 31.39 16.11 14.58 13.79 7.68 0.37 11.75 4.34 58 R C C 122.97 6.46 13.44 21.24 117.54 83.02 -98.09 133.37 81.83 11.87 6.30 44.21 29.06 9.12 4.14 2.26 0.03 7.34 3.85 59 P C T 89.46 6.09 12.60 20.03 108.95 -102.21 -64.37 139.96 88.83 3.43 7.74 32.54 16.26 40.70 3.98 3.34 0.01 2.16 1.02 60 G C T 49.31 4.72 14.61 20.13 104.19 19.85 85.05 -4.74 86.57 4.05 9.38 31.74 19.75 36.04 4.54 4.24 0.02 2.46 1.23 61 K C C 111.16 6.47 14.22 21.84 115.29 99.72 -96.89 132.76 72.97 13.53 13.51 48.75 16.90 6.92 8.74 5.04 0.04 8.85 4.76 62 V C C 69.66 10.21 13.52 24.39 111.70 -133.75 -83.96 131.27 57.72 20.58 21.70 42.92 7.99 6.05 13.22 8.89 0.06 14.81 6.06 63 S C C 50.02 9.41 14.02 24.31 112.05 -119.63 -81.47 136.66 56.70 18.22 25.08 39.03 9.95 8.46 12.60 12.11 0.06 14.12 3.67 64 R C C 111.91 7.91 14.56 23.32 107.48 -143.70 -93.32 88.89 53.32 19.67 27.01 34.23 9.30 10.22 12.29 14.37 0.12 13.22 6.23 65 L C T 86.36 9.17 12.21 22.20 96.93 86.05 -70.81 -22.84 73.80 6.73 19.47 15.95 11.32 46.38 9.36 10.12 0.09 4.68 2.10 66 N C T 122.02 2.31 14.68 17.46 98.40 42.34 -90.71 6.32 83.23 2.65 14.12 16.30 15.92 50.99 5.84 8.21 0.02 1.71 1.01 67 N C C 62.91 8.14 9.93 19.85 110.10 103.59 -98.04 108.14 94.66 3.43 1.91 69.05 23.70 1.72 1.01 0.80 0.00 1.41 2.32 68 A C T 81.96 3.44 11.83 17.20 93.75 -160.85 -66.89 -21.52 83.14 1.06 15.80 8.25 7.62 67.05 7.16 8.61 0.02 0.65 0.64 69 D C T 107.51 2.62 13.79 17.32 96.35 59.94 -87.50 -1.72 82.64 1.11 16.25 8.86 7.72 65.76 8.78 7.58 0.02 0.72 0.56 70 A C C 35.84 12.01 9.71 22.59 112.22 109.07 -79.71 129.47 72.94 5.06 22.01 54.43 11.94 6.49 13.15 9.04 0.01 2.86 2.09 71 T C C 74.49 6.63 15.57 23.22 112.97 -167.08 -102.41 117.81 63.14 12.14 24.72 48.29 7.63 6.47 18.81 6.77 0.04 8.48 3.52 72 W C C 119.24 9.29 13.66 23.81 110.50 -141.03 -91.69 122.61 47.74 17.46 34.80 29.89 8.97 9.64 24.54 9.97 0.24 13.16 3.58 73 H C C 91.59 8.30 13.27 22.70 112.67 70.45 -95.84 120.51 48.82 16.06 35.12 28.11 10.49 11.07 25.63 9.03 0.26 12.35 3.06 74 N C C 77.99 7.11 11.81 20.41 107.76 -159.86 -86.86 99.55 54.34 12.03 33.63 34.18 10.36 10.35 25.02 8.26 0.11 8.70 3.02 75 R C H 149.19 4.02 11.84 17.36 97.97 127.55 -73.09 -19.36 55.75 6.47 37.78 26.49 12.61 18.41 27.11 9.01 0.20 4.21 1.96 76 S C C 72.58 3.52 10.75 15.72 100.82 65.09 -82.40 -7.21 59.05 5.52 35.43 27.44 13.15 20.06 24.47 9.49 0.17 3.22 2.01 77 R C C 138.35 4.89 9.01 15.56 102.57 82.24 -86.08 4.32 65.03 4.68 30.30 36.58 14.94 14.26 19.56 10.00 0.07 2.48 2.11 78 K C C 149.29 2.11 10.37 13.73 104.14 88.93 -82.21 50.63 78.24 2.87 18.89 36.32 16.14 26.58 10.97 7.14 0.02 1.50 1.34 79 E C C 136.20 2.65 9.44 13.75 111.92 115.45 -88.44 129.85 86.69 3.23 10.09 38.93 23.66 24.85 4.46 5.03 0.01 1.64 1.41 80 K C C 138.46 3.02 10.32 15.18 116.97 -114.38 -94.72 137.98 97.24 2.42 0.34 56.51 40.48 0.59 0.14 0.16 0.00 0.91 1.21 81 P C C 82.47 5.39 10.16 17.51 115.87 -105.24 -66.54 150.24 98.65 0.92 0.43 93.87 3.95 0.88 0.13 0.25 0.00 0.47 0.46 82 P C C 85.68 6.11 10.42 18.27 111.81 -103.72 -67.54 147.97 96.59 1.67 1.74 74.33 11.51 10.37 0.28 1.77 0.00 0.99 0.73 83 D C C 113.48 2.32 13.66 17.07 111.90 -119.44 -88.92 128.71 87.86 9.66 2.48 60.74 16.28 10.02 0.52 2.41 0.00 5.14 4.89 84 F C C 90.74 12.34 8.93 21.35 117.00 -144.69 -97.60 133.50 84.02 15.00 0.98 71.23 10.92 1.01 0.46 0.56 0.00 6.17 9.66 85 D C C 77.42 4.33 14.95 20.53 108.10 -141.95 -97.03 109.31 97.00 2.51 0.49 94.68 2.40 0.18 0.35 0.10 0.00 1.24 1.06 86 P H H 71.52 8.26 11.85 21.84 92.91 -160.12 -63.47 -31.92 9.30 0.30 90.40 3.65 1.47 4.95 85.46 4.14 0.04 0.19 0.10 87 S H H 72.99 1.61 16.77 17.59 92.15 55.67 -64.62 -39.34 5.11 0.35 94.54 1.03 0.76 3.47 89.13 5.22 0.06 0.26 0.07 88 A H H 34.99 5.07 14.61 21.73 91.56 50.91 -64.51 -41.03 2.79 0.45 96.77 0.88 0.49 1.66 90.73 5.75 0.03 0.42 0.06 89 F H H 49.70 11.48 12.39 25.20 92.38 50.90 -64.53 -41.78 2.83 0.69 96.49 1.23 0.53 1.47 91.92 4.06 0.04 0.66 0.09 90 R H H 113.45 4.45 15.43 21.00 91.80 51.69 -63.45 -40.98 4.32 0.92 94.76 1.84 0.72 2.38 90.66 3.31 0.08 0.86 0.16 91 R H H 139.86 1.54 16.34 17.04 92.03 50.88 -64.77 -40.74 7.42 0.91 91.67 2.65 1.06 4.43 87.58 3.11 0.12 0.81 0.23 92 R H H 103.43 6.13 13.61 21.09 92.81 49.49 -67.39 -38.95 12.10 0.95 86.95 3.99 1.65 7.35 82.98 2.80 0.16 0.75 0.33 93 Y H H 101.72 8.07 11.08 20.32 94.15 50.74 -70.53 -33.34 23.07 1.43 75.50 8.17 3.56 12.53 71.55 2.53 0.15 0.84 0.66 94 R H H 161.68 1.97 11.88 14.68 96.11 54.81 -75.87 -20.71 40.42 2.04 57.54 15.09 6.23 20.59 53.84 2.26 0.09 0.96 0.95 95 D C C 109.46 1.79 9.82 12.70 101.33 60.50 -84.21 2.59 65.45 1.96 32.59 39.40 3.44 21.54 31.76 1.95 0.01 0.87 1.04 96 S C C 73.32 4.62 10.27 16.48 106.27 88.90 -86.19 74.13 98.67 0.38 0.95 96.06 1.01 1.51 0.89 0.14 0.00 0.22 0.16