# 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 89.53 10.37 10.17 21.13 115.90 -152.48 -87.39 139.70 99.87 0.10 0.03 99.81 0.09 0.03 0.01 0.00 0.00 0.04 0.02 1 R C C 145.45 3.33 10.80 15.80 114.10 -125.49 -83.82 138.12 95.21 2.54 2.25 94.33 0.67 1.09 0.89 0.61 0.00 0.82 1.58 2 K C T 155.26 2.31 10.16 14.10 101.98 -113.67 -65.20 54.04 81.17 2.04 16.79 14.28 11.41 54.78 1.78 15.56 0.00 1.16 1.01 3 D C T 120.12 1.72 12.13 14.74 96.95 24.38 20.00 8.71 83.51 1.02 15.47 10.83 12.39 59.05 1.34 15.32 0.00 0.62 0.45 4 I C C 79.93 7.93 10.40 19.75 103.97 99.55 -90.32 -5.33 77.35 6.02 16.62 32.49 25.10 19.68 2.31 14.23 0.02 2.74 3.44 5 H C C 81.53 9.60 10.53 21.34 116.23 58.70 -106.78 126.71 94.38 4.43 1.19 63.06 28.98 2.37 0.25 1.13 0.00 2.25 1.96 6 P C T 71.88 6.97 13.15 21.71 109.57 -124.10 -69.11 149.50 95.28 2.56 2.15 38.65 16.09 40.23 0.16 2.56 0.00 1.90 0.42 7 D C T 103.19 3.33 16.70 20.79 108.78 -95.21 -85.15 115.00 87.16 10.27 2.57 32.35 16.39 38.00 0.14 3.14 0.00 9.32 0.65 8 Y C C 85.23 14.67 10.88 25.26 124.45 55.69 -102.57 144.73 54.15 45.55 0.30 48.44 4.63 0.52 0.06 0.27 0.00 44.17 1.90 9 H E E 83.47 8.22 17.19 26.59 125.13 -160.09 -121.06 144.45 22.46 77.49 0.05 20.55 1.42 0.11 0.01 0.03 0.00 77.08 0.80 10 D E E 80.63 7.96 18.78 27.46 114.49 -114.60 -80.02 135.02 11.37 88.62 0.01 10.42 0.65 0.04 0.00 0.01 0.00 88.76 0.13 11 V E E 20.42 17.49 14.67 32.85 129.55 -174.96 -128.53 145.97 3.10 96.90 0.00 2.89 0.09 0.00 0.00 0.00 0.00 96.98 0.03 12 L E E 49.36 10.37 20.67 32.33 117.28 -139.77 -103.82 128.45 0.64 99.36 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.38 0.00 13 F E E 35.93 16.23 17.95 34.79 123.64 -169.19 -118.14 135.63 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 14 H E E 65.87 9.85 18.92 30.08 118.70 -156.37 -112.51 126.11 0.65 99.35 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.34 0.03 15 D E E 28.79 11.73 13.85 27.67 109.34 -151.43 -95.23 113.20 14.83 85.15 0.02 13.75 0.56 0.06 0.00 0.01 0.00 85.34 0.28 16 T C T 79.59 5.95 14.43 22.30 93.78 -166.13 -69.74 -25.04 96.42 0.54 3.04 1.18 7.14 87.86 0.08 3.25 0.00 0.41 0.08 17 N C T 118.22 1.85 15.09 16.75 95.41 51.64 -74.78 -33.76 96.23 0.29 3.48 0.79 7.61 87.59 0.09 3.67 0.00 0.17 0.08 18 A C T 52.63 5.81 12.63 19.76 100.03 27.46 -102.05 -8.16 95.73 0.57 3.70 4.72 15.97 74.18 0.14 4.45 0.00 0.39 0.16 19 D C T 105.70 3.85 15.09 20.60 95.22 -129.30 57.19 40.13 98.16 1.34 0.50 23.52 9.53 65.11 0.05 0.45 0.00 1.19 0.14 20 V E E 50.42 9.01 14.23 25.18 124.49 139.98 -113.83 142.27 22.43 77.52 0.05 20.24 1.25 0.24 0.01 0.05 0.00 77.85 0.37 21 F E E 92.86 11.25 16.12 28.19 123.92 -160.27 -118.00 137.70 0.97 99.03 0.00 0.94 0.04 0.01 0.00 0.00 0.00 98.98 0.03 22 F E E 55.13 13.12 16.88 30.99 126.22 -172.13 -124.33 140.80 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 23 L E E 75.22 9.17 18.98 29.06 115.10 -134.93 -93.53 126.98 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 24 T E E 31.59 15.66 15.19 31.20 124.61 -175.16 -118.53 144.32 1.28 98.72 0.00 1.14 0.05 0.00 0.00 0.00 0.00 98.79 0.02 25 R E E 115.85 7.46 20.33 28.67 127.90 -150.90 -126.61 141.75 5.18 94.81 0.01 4.27 0.66 0.05 0.00 0.01 0.00 94.87 0.13 26 S E E 26.36 15.90 14.53 30.48 131.42 -134.28 -133.62 154.33 15.05 84.92 0.04 13.59 1.03 0.12 0.01 0.03 0.00 84.36 0.85 27 T C E 65.99 7.85 18.47 27.32 114.01 -140.46 -106.01 128.38 52.39 47.49 0.12 28.71 23.95 0.99 0.02 0.12 0.00 44.95 1.27 28 V C C 45.65 13.02 12.82 26.78 120.77 91.23 -109.60 136.96 66.11 33.63 0.26 38.49 27.41 1.24 0.08 0.24 0.00 27.86 4.69 29 K C C 146.65 2.56 17.37 20.80 112.98 -137.02 -90.20 125.96 88.01 11.85 0.14 76.58 9.88 0.98 0.03 0.14 0.00 11.40 1.00 30 T C C 45.51 12.71 9.25 22.31 125.73 -163.94 -117.06 150.11 88.68 10.98 0.34 76.52 10.20 1.77 0.06 0.34 0.00 9.47 1.64 31 K C C 165.63 1.32 15.47 16.61 98.70 -148.70 -89.75 -1.70 83.37 16.42 0.21 50.42 31.18 1.73 0.03 0.23 0.00 15.66 0.76 32 T C E 70.09 4.71 13.27 19.66 124.31 78.65 -110.30 145.59 50.63 49.21 0.16 40.37 7.55 0.93 0.02 0.19 0.00 50.45 0.50 33 T E E 76.70 8.98 10.84 21.27 124.09 -155.98 -119.01 140.43 7.50 92.48 0.02 7.05 0.30 0.02 0.00 0.01 0.00 92.39 0.23 34 R E E 102.14 6.23 12.66 20.88 128.50 -173.20 -130.10 149.14 1.25 98.75 0.01 1.13 0.05 0.01 0.00 0.00 0.00 98.77 0.04 35 E E E 138.96 2.46 12.20 16.37 115.16 -127.65 -94.44 129.34 2.78 97.21 0.01 2.42 0.13 0.01 0.00 0.00 0.00 97.38 0.05 36 Y E E 89.91 9.17 6.89 17.09 119.22 -178.32 -128.84 123.85 8.47 91.43 0.10 5.52 1.68 0.95 0.01 0.09 0.00 91.28 0.45 37 E C T 170.27 0.61 10.76 10.96 94.31 -20.10 51.41 43.29 99.67 0.21 0.12 0.47 4.63 94.61 0.00 0.11 0.00 0.15 0.02 38 G C T 68.23 0.38 10.54 9.69 95.28 -49.55 78.97 2.44 99.81 0.08 0.11 0.52 6.31 92.99 0.00 0.11 0.00 0.05 0.01 39 S E E 62.97 3.53 9.69 15.42 125.91 100.01 -112.71 150.83 7.45 92.54 0.01 4.91 2.07 0.13 0.00 0.01 0.00 92.64 0.23 40 E E E 125.94 3.88 12.06 17.80 115.77 -120.85 -93.37 131.65 1.92 98.08 0.00 1.64 0.08 0.00 0.00 0.00 0.00 98.22 0.05 41 Y E E 65.18 12.05 11.21 24.52 125.28 -174.52 -122.36 142.28 2.81 97.19 0.00 2.46 0.11 0.00 0.00 0.00 0.00 97.38 0.04 42 P E E 56.98 7.15 17.45 25.82 114.50 -108.30 -68.02 147.08 5.78 94.21 0.00 5.14 0.27 0.02 0.00 0.00 0.00 94.46 0.11 43 Y E E 81.15 14.18 14.76 29.22 122.84 -145.32 -109.50 138.78 14.78 85.18 0.03 12.24 1.97 0.13 0.01 0.02 0.00 85.21 0.43 44 Y E E 59.85 12.91 16.48 30.60 120.10 -159.78 -117.08 126.41 7.06 92.93 0.01 6.42 0.42 0.03 0.00 0.01 0.00 92.73 0.39 45 P E E 70.89 7.91 20.13 28.75 115.15 -133.77 -84.43 135.70 7.17 92.82 0.01 6.94 0.22 0.02 0.00 0.00 0.00 92.11 0.70 46 L E E 35.27 18.32 12.48 30.60 119.85 -162.00 -108.25 131.87 26.11 73.81 0.08 25.34 0.75 0.09 0.03 0.05 0.00 71.69 2.05 47 D C E 96.11 3.85 20.75 25.07 108.28 -143.71 -89.50 113.77 57.57 42.27 0.17 34.30 22.79 0.88 0.04 0.14 0.00 40.50 1.35 48 I C C 49.23 15.41 12.91 28.37 120.65 88.95 -110.48 135.17 70.55 28.95 0.51 50.09 19.83 0.94 0.23 0.36 0.00 22.62 5.93 49 S C C 40.77 6.71 18.25 26.05 126.03 -131.46 -101.83 162.32 89.64 9.96 0.40 87.02 2.71 0.38 0.16 0.21 0.00 6.08 3.43 50 S C T 62.91 9.65 13.60 24.18 91.53 -106.34 -61.81 -29.69 61.52 0.33 38.15 1.90 4.61 52.66 1.69 38.82 0.00 0.18 0.14 51 A C T 78.75 3.08 17.48 21.15 91.97 62.89 -70.45 -21.32 63.66 0.13 36.22 0.63 2.68 59.33 1.25 35.99 0.00 0.07 0.05 52 S C T 41.27 10.33 14.43 25.90 98.65 44.22 -99.88 -1.85 57.77 0.81 41.41 4.11 8.22 43.84 1.93 41.04 0.00 0.42 0.43 53 H C C 40.25 14.11 11.90 26.93 116.81 105.89 -81.23 138.26 97.00 1.20 1.81 59.84 36.04 0.69 1.58 0.27 0.00 0.22 1.35 54 P H H 62.77 6.64 15.99 24.41 92.60 -133.82 -62.27 -29.39 34.95 0.14 64.91 1.30 2.10 30.24 37.90 28.20 0.05 0.07 0.14 55 F H H 94.20 8.83 14.13 23.95 93.41 56.56 -70.86 -31.30 32.43 0.24 67.33 1.07 1.90 28.29 38.65 29.63 0.13 0.13 0.20 56 Y H H 111.49 8.01 12.89 21.90 95.98 47.26 -79.19 -30.55 29.17 0.70 70.14 2.37 3.34 21.13 39.92 31.99 0.41 0.39 0.46 57 T H H 84.05 3.03 13.81 17.57 99.18 36.95 -96.97 -8.89 46.38 2.27 51.35 7.60 11.41 27.90 36.38 13.29 0.77 1.04 1.61 58 G C T 50.95 4.14 11.22 17.10 97.25 -113.05 79.63 6.80 92.23 1.95 5.82 28.43 31.15 33.20 2.18 3.15 0.00 1.02 0.87 59 E C C 134.17 1.98 12.50 15.52 109.61 121.42 -91.89 112.84 90.68 3.96 5.35 55.68 24.77 10.14 1.94 3.62 0.00 2.45 1.42 60 Q C C 112.97 6.07 9.76 17.61 116.55 -106.06 -97.90 130.88 85.43 9.18 5.39 68.89 11.52 4.76 2.32 3.16 0.00 6.97 2.37 61 R C C 155.30 3.65 10.91 16.64 119.29 -166.80 -111.11 134.86 79.15 16.63 4.22 66.60 9.05 2.89 2.46 2.05 0.00 13.21 3.75 62 K C C 139.52 3.90 10.86 16.74 117.26 -143.88 -99.56 134.93 72.22 23.23 4.55 58.49 9.77 3.07 3.00 2.02 0.00 17.45 6.20 63 T C C 89.12 5.14 9.75 16.66 115.96 -156.54 -102.10 132.81 78.85 14.77 6.37 60.00 13.30 5.01 4.09 2.62 0.00 11.86 3.11 64 S C C 71.24 4.94 10.01 16.60 113.44 -156.24 -96.22 126.26 83.25 7.47 9.28 58.37 17.09 7.45 6.44 3.28 0.00 5.36 2.02 65 T C C 97.00 3.61 10.58 15.71 104.31 -156.90 -90.13 11.64 75.98 3.33 20.69 37.18 24.57 14.11 16.83 4.26 0.03 1.79 1.24 66 E C H 137.13 2.33 11.33 14.89 108.67 101.73 -88.60 100.98 63.79 1.20 35.01 15.26 21.43 27.16 30.67 4.26 0.07 0.55 0.61 67 G C H 45.34 3.34 13.67 17.85 107.85 14.39 52.85 -76.32 57.19 1.21 41.60 17.31 21.38 18.89 37.94 3.30 0.07 0.48 0.62 68 R H H 129.40 5.48 14.41 20.80 95.17 13.77 -67.82 -36.60 16.85 0.93 82.22 8.06 4.18 6.25 78.46 2.18 0.07 0.51 0.29 69 V H H 55.37 9.59 13.77 24.30 93.11 51.54 -66.00 -41.60 7.77 0.71 91.51 3.39 1.51 3.71 88.94 1.72 0.09 0.51 0.14 70 A H H 49.04 3.64 16.63 21.11 92.01 51.18 -64.07 -41.32 4.78 0.40 94.82 2.08 0.78 2.34 92.76 1.64 0.03 0.32 0.06 71 S H H 51.33 3.44 17.53 21.38 92.37 50.77 -65.20 -40.74 5.46 0.40 94.15 2.10 0.94 2.95 91.88 1.72 0.04 0.31 0.07 72 F H H 60.97 9.90 14.97 26.10 92.67 50.61 -64.83 -42.16 4.00 0.26 95.74 1.46 0.63 2.17 94.10 1.38 0.02 0.19 0.04 73 N H H 74.14 7.56 15.50 24.13 92.06 51.67 -64.71 -39.29 3.54 0.15 96.31 1.26 0.46 1.91 94.82 1.42 0.01 0.11 0.02 74 K H H 140.55 1.67 17.40 18.58 92.19 50.66 -66.24 -38.59 5.32 0.15 94.54 1.13 0.55 3.66 92.27 2.22 0.02 0.11 0.03 75 R H H 134.07 3.85 16.28 20.81 93.82 47.79 -69.28 -38.12 8.09 0.16 91.75 1.21 0.79 6.04 89.88 1.90 0.03 0.10 0.04 76 F H H 83.64 10.11 13.54 24.36 99.21 38.80 -92.11 -23.07 21.01 0.61 78.38 4.11 3.71 14.34 74.85 2.24 0.17 0.27 0.32 77 G H H 34.70 7.28 13.46 22.02 98.46 75.33 -65.45 -37.69 48.93 1.55 49.52 17.09 6.70 25.42 36.14 12.93 0.07 0.89 0.75 78 A C T 74.30 3.55 15.39 19.61 97.75 52.48 -77.32 -19.27 55.67 1.48 42.86 13.84 9.05 32.11 27.16 16.15 0.07 0.84 0.77 79 F C T 118.09 6.39 12.51 20.14 103.36 54.92 -88.05 13.60 59.08 2.48 38.43 18.87 13.89 27.28 22.48 14.74 0.11 1.24 1.39 80 G C T 43.09 6.13 13.40 20.60 108.98 42.57 83.46 -2.76 75.74 2.18 22.08 27.04 18.70 30.70 13.05 8.32 0.03 1.09 1.08 81 G C C 42.19 5.97 12.58 19.76 111.84 62.94 -57.51 155.49 76.63 2.24 21.13 34.06 19.98 23.30 11.19 9.23 0.02 1.08 1.14 82 R C C 155.43 4.03 12.85 18.14 103.74 -43.01 -80.38 5.86 64.94 3.28 31.78 34.31 17.45 13.89 21.18 9.99 0.05 1.63 1.51 83 N C C 101.98 4.33 11.89 17.65 105.85 60.98 -85.98 50.00 62.66 3.44 33.90 37.75 12.65 12.39 23.46 10.42 0.03 1.94 1.36 84 K C C 122.27 5.63 11.22 18.28 105.47 102.46 -84.60 43.18 58.05 4.01 37.94 38.01 11.12 9.17 28.18 9.68 0.03 2.29 1.54 85 K C C 132.65 3.83 12.13 17.32 107.19 60.09 -84.07 101.34 57.00 4.10 38.90 37.34 10.16 9.95 29.95 8.62 0.03 2.33 1.63 86 A C C 67.10 5.29 10.46 17.30 107.52 -134.76 -81.30 88.74 59.85 2.68 37.48 33.35 13.94 13.41 28.47 8.30 0.03 1.40 1.10 87 D C C 98.53 3.95 10.76 16.19 105.43 61.39 -87.84 51.18 65.53 2.39 32.08 37.01 15.91 13.10 24.26 7.45 0.02 1.19 1.06 88 T C C 88.51 4.11 9.50 15.25 106.95 115.50 -88.07 71.44 62.05 2.48 35.47 34.53 15.63 12.83 25.56 9.10 0.03 1.24 1.11 89 D C C 108.49 2.37 9.98 13.74 103.98 -132.95 -84.83 24.76 61.96 2.97 35.06 32.57 13.31 16.77 21.80 12.68 0.03 1.58 1.26 90 S C C 79.30 3.15 8.39 13.22 104.50 72.94 -86.15 22.62 62.96 4.93 32.11 33.53 12.32 18.00 18.17 13.17 0.05 2.77 2.00 91 A C C 80.64 3.05 7.74 12.46 106.40 84.39 -84.96 64.91 74.92 4.03 21.06 60.54 2.75 12.78 12.55 7.02 0.00 2.48 1.88 92 E C C 138.94 2.62 10.69 14.90 109.04 105.18 -86.42 112.65 99.82 0.12 0.06 99.71 0.10 0.08 0.03 0.00 0.00 0.06 0.01