# 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 125.64 3.85 11.10 16.79 119.18 -156.64 -106.79 134.31 99.56 0.43 0.01 99.62 0.07 0.02 0.00 0.00 0.00 0.26 0.02 1 L C C 110.61 4.54 8.67 15.19 117.24 -150.85 -100.55 133.07 69.53 29.03 1.44 67.94 0.80 1.09 0.64 0.57 0.00 25.75 3.21 2 R C C 170.94 2.07 9.77 13.55 117.96 -156.61 -104.68 132.47 58.57 38.37 3.06 49.00 6.25 2.78 1.30 1.76 0.00 35.98 2.93 3 L C C 105.50 6.28 7.90 15.84 119.13 -158.63 -107.24 135.68 59.35 35.95 4.70 46.78 8.45 3.66 1.87 2.59 0.01 35.02 1.63 4 D C C 108.15 2.43 12.74 16.09 114.46 -151.49 -102.76 124.21 58.35 36.98 4.67 44.79 8.88 4.04 1.76 2.50 0.00 36.95 1.08 5 L C E 92.73 9.18 9.09 19.34 120.53 -158.71 -107.69 134.27 50.35 45.13 4.52 42.52 5.15 1.93 2.28 1.97 0.00 44.83 1.31 6 Q E E 113.13 4.19 14.42 20.14 121.15 -165.09 -115.89 135.32 34.22 61.41 4.36 29.43 3.35 1.44 2.72 1.67 0.00 59.55 1.83 7 F E E 119.48 8.45 12.25 21.94 118.87 -150.19 -101.59 133.63 32.12 63.44 4.44 26.89 3.76 1.70 2.80 1.79 0.00 60.84 2.21 8 F E E 109.74 6.97 13.56 21.89 120.32 -174.11 -118.55 136.29 44.98 50.94 4.09 36.77 5.82 2.18 2.45 1.83 0.01 48.26 2.68 9 A C C 57.49 8.94 11.64 21.68 116.44 -148.07 -96.77 138.68 60.18 34.21 5.60 44.53 11.04 4.56 2.67 2.93 0.01 32.08 2.17 10 S C C 72.33 5.28 13.10 19.73 108.52 -153.57 -93.30 49.58 68.40 25.09 6.51 37.80 23.55 8.32 2.54 3.76 0.04 21.28 2.71 11 K C C 130.07 4.85 12.47 18.87 114.82 -49.53 -97.41 130.53 72.83 20.06 7.11 43.78 21.01 8.90 2.74 4.30 0.03 15.66 3.58 12 K C C 136.37 4.58 12.59 18.85 111.54 -124.14 -84.75 129.92 80.87 13.23 5.90 42.44 20.30 18.68 1.84 3.94 0.01 10.38 2.42 13 G C C 43.28 7.06 11.37 19.62 116.33 -127.11 -96.25 151.98 85.75 9.42 4.84 41.34 24.28 20.83 1.23 3.53 0.01 6.68 2.11 14 V C C 101.73 4.59 11.88 18.06 112.80 -126.87 -93.74 130.80 82.02 11.29 6.69 40.23 23.82 18.66 2.09 4.53 0.02 7.15 3.50 15 G C C 47.98 4.39 12.57 18.39 114.77 1.20 89.95 -163.88 82.14 9.74 8.12 37.48 26.25 19.51 2.59 5.25 0.02 6.17 2.73 16 S C C 71.56 5.23 11.65 18.38 110.83 -78.15 -92.01 122.02 73.51 13.75 12.75 45.14 17.23 11.10 5.41 7.44 0.04 8.45 5.18 17 T C C 77.48 6.08 10.56 18.12 113.57 -144.34 -93.70 141.31 68.91 13.61 17.48 41.38 15.22 12.51 7.51 10.05 0.06 8.49 4.79 18 K C T 150.79 2.63 11.72 15.76 102.19 -112.23 -79.42 3.07 69.99 9.24 20.77 25.13 18.90 27.84 7.52 11.70 0.12 5.58 3.21 19 N C T 109.92 3.44 12.18 16.85 101.84 46.21 -90.12 13.04 80.60 3.67 15.73 19.90 22.03 39.65 5.04 9.63 0.04 2.18 1.54 20 G C C 45.42 5.69 12.39 19.37 102.37 -94.88 84.29 5.83 86.67 5.03 8.30 31.98 28.51 27.15 1.99 5.76 0.01 2.83 1.77 21 R C C 124.11 6.35 12.63 20.52 116.08 130.50 -93.27 139.85 75.95 14.00 10.05 50.96 15.87 8.55 4.57 5.63 0.03 7.54 6.84 22 D C C 84.94 7.52 13.15 21.80 108.31 -128.42 -86.54 110.60 75.27 10.15 14.58 55.53 10.99 8.11 6.67 8.38 0.01 6.54 3.79 23 S C C 59.03 8.88 13.00 22.65 106.32 -161.09 -86.72 51.03 58.24 5.35 36.41 33.34 12.24 13.77 10.53 25.15 0.04 3.29 1.64 24 E C G 122.75 4.91 16.39 22.16 101.99 62.68 -84.88 10.72 51.27 6.04 42.69 22.76 13.21 17.24 12.16 28.98 0.15 3.71 1.79 25 A C C 44.35 12.15 13.93 26.52 112.64 85.44 -85.23 133.65 52.21 6.77 41.02 30.68 11.64 11.64 11.18 28.69 0.05 4.51 1.63 26 K C C 93.79 11.04 17.32 28.54 113.50 -145.06 -98.24 126.65 63.67 15.03 21.30 41.90 14.53 8.08 8.25 12.89 0.04 11.43 2.87 27 R C C 103.97 12.11 19.49 31.36 119.70 -144.35 -101.04 136.36 59.59 34.31 6.10 45.81 9.60 3.84 3.22 3.20 0.03 27.93 6.37 28 L C E 43.79 17.40 18.72 35.51 120.27 -155.77 -104.49 138.88 53.26 45.29 1.46 42.78 7.83 1.85 0.66 0.81 0.00 43.61 2.45 29 G E E 13.87 15.01 21.62 36.27 139.73 155.21 -130.91 171.49 24.88 73.78 1.35 19.33 5.02 1.43 0.66 0.68 0.00 71.42 1.46 30 A E E 26.81 17.88 18.39 35.78 122.42 -86.99 -105.46 143.22 12.89 85.53 1.58 10.76 1.77 0.75 0.99 0.61 0.00 84.16 0.95 31 K E E 101.55 10.39 21.49 31.85 116.09 -155.84 -102.89 121.68 10.85 87.17 1.97 8.14 2.22 1.08 1.20 0.75 0.01 85.30 1.29 32 R E E 87.93 13.08 17.07 30.09 126.80 20.36 -118.13 140.75 32.93 64.05 3.02 30.40 1.86 0.94 1.63 1.35 0.01 60.98 2.83 33 A C C 45.21 9.43 16.51 26.80 119.20 -134.61 -89.99 153.92 84.91 8.98 6.11 81.39 2.09 1.87 0.69 5.13 0.00 7.95 0.88 34 D C T 103.30 5.40 14.99 21.67 105.99 -61.02 -57.46 120.68 91.80 1.53 6.67 0.85 5.25 86.30 0.19 6.18 0.00 1.05 0.18 35 G C T 53.28 3.37 16.12 20.22 95.35 3.00 84.88 -2.47 93.41 0.83 5.76 1.51 6.38 85.47 0.11 5.78 0.00 0.66 0.09 36 Q C C 84.94 7.10 15.37 24.19 121.54 126.98 -89.69 147.65 88.42 11.54 0.04 81.75 6.11 0.16 0.00 0.05 0.00 11.55 0.39 37 F E E 120.22 7.15 19.83 27.94 115.36 -121.22 -85.38 134.38 7.34 92.66 0.00 7.49 0.18 0.01 0.00 0.00 0.00 90.36 1.95 38 V E E 11.19 22.91 12.28 35.11 124.26 -166.66 -116.76 140.94 1.82 98.18 0.00 2.02 0.02 0.00 0.00 0.00 0.00 95.65 2.31 39 T C C 75.84 4.10 24.30 28.53 124.32 -145.79 -102.71 152.29 62.97 37.02 0.01 63.76 0.44 0.03 0.00 0.01 0.00 34.83 0.93 40 G C T 32.92 13.53 15.77 29.20 109.41 -86.72 -59.21 136.29 98.96 0.91 0.13 0.12 2.31 96.95 0.00 0.08 0.00 0.48 0.05 41 G C T 39.19 6.50 21.11 28.41 96.98 24.58 88.46 -5.38 99.54 0.38 0.08 0.27 3.10 96.25 0.00 0.07 0.00 0.29 0.01 42 S C C 32.54 11.88 19.81 32.62 117.11 128.61 -75.51 146.04 87.64 12.33 0.03 84.83 2.59 0.09 0.00 0.03 0.00 11.96 0.49 43 I E E 46.66 16.19 21.44 37.36 110.68 -118.06 -79.15 124.02 2.60 97.40 0.00 2.62 0.07 0.00 0.00 0.00 0.00 96.54 0.76 44 L E E 9.25 23.00 21.26 44.14 101.04 176.43 -93.89 -33.82 2.31 97.68 0.00 1.50 0.73 0.04 0.00 0.00 0.00 97.70 0.03 45 Y E E 22.81 19.23 23.60 42.34 141.42 1.97 -154.62 150.28 1.63 98.36 0.01 1.26 0.23 0.05 0.00 0.01 0.00 98.37 0.07 46 R E E 82.03 14.84 21.85 35.88 123.08 -157.81 -120.56 132.28 10.52 89.41 0.07 9.13 1.08 0.17 0.02 0.04 0.00 89.29 0.29 47 Q E E 45.29 16.05 16.64 32.66 115.47 -148.38 -95.55 129.67 46.06 53.30 0.63 35.90 7.95 2.15 0.12 0.58 0.00 52.01 1.28 48 R C C 130.86 7.56 16.96 25.53 112.59 -157.15 -90.02 129.00 75.12 23.62 1.26 32.02 24.43 19.81 0.14 1.32 0.00 20.58 1.70 49 G C S 48.67 3.78 17.40 21.77 110.12 16.90 89.98 -49.54 90.71 8.53 0.76 25.32 42.21 23.12 0.05 0.92 0.00 7.59 0.79 50 T C C 62.16 11.71 13.10 25.29 119.39 38.11 -96.88 139.18 86.26 12.84 0.89 63.48 18.50 4.05 0.13 0.94 0.00 11.21 1.68 51 K C C 133.66 4.66 20.29 25.63 105.83 -140.99 -90.55 80.20 75.57 23.87 0.56 55.96 16.68 2.47 0.11 0.60 0.00 21.23 2.95 52 I C C 25.70 21.38 11.93 32.66 118.86 91.32 -102.98 131.72 55.80 43.86 0.34 46.27 8.11 0.71 0.14 0.23 0.00 29.58 14.95 53 Y C C 120.32 5.99 22.57 29.04 117.08 -155.46 -105.09 130.37 84.78 15.14 0.08 80.49 4.20 0.32 0.02 0.07 0.00 12.97 1.94 54 P C C 61.05 14.56 14.53 28.76 112.31 -110.05 -65.19 140.91 88.54 9.78 1.68 35.15 19.74 34.01 0.22 1.64 0.00 7.64 1.59 55 G C T 33.73 7.57 18.19 26.77 129.97 60.24 121.06 -170.77 91.71 5.97 2.32 22.02 32.72 37.19 0.22 2.43 0.00 3.67 1.75 56 E C T 136.90 2.95 20.54 23.67 100.73 -49.12 -74.67 -17.76 93.16 4.67 2.17 4.24 35.56 54.01 0.12 2.03 0.00 3.08 0.96 57 N C T 51.59 14.66 17.46 31.79 97.58 35.05 -95.99 3.70 89.68 9.59 0.73 10.52 26.37 52.75 0.04 0.87 0.00 8.97 0.48 58 V E E 17.33 22.22 14.13 35.91 125.40 86.66 -112.52 139.52 13.81 86.17 0.02 11.92 1.33 0.08 0.00 0.01 0.00 86.16 0.49 59 G E E 22.33 8.17 23.91 32.77 141.69 166.04 -153.68 176.88 0.79 99.21 0.00 0.70 0.04 0.00 0.00 0.00 0.00 99.21 0.05 60 R E E 123.41 10.60 17.28 28.64 122.18 -105.28 -109.96 138.80 1.65 98.35 0.00 1.64 0.05 0.00 0.00 0.00 0.00 97.90 0.40 61 G C C 21.15 12.30 12.13 25.17 125.49 -144.67 -88.29 174.81 82.92 17.02 0.07 80.83 1.23 0.20 0.01 0.05 0.00 17.18 0.51 62 G C T 62.64 1.10 16.03 16.39 95.42 -87.47 -63.40 -28.37 94.14 2.29 3.57 1.88 17.07 74.62 0.07 4.29 0.00 1.68 0.39 63 D C T 98.86 3.55 16.01 20.31 96.63 47.11 -91.03 8.32 96.72 0.22 3.07 0.83 12.99 82.09 0.04 3.87 0.00 0.13 0.06 64 D C S 60.46 12.18 16.02 28.55 94.52 -105.92 72.33 22.39 95.26 1.69 3.04 10.99 55.99 27.40 0.09 3.90 0.00 1.33 0.29 65 T C C 21.15 13.86 19.99 35.08 121.91 136.39 -91.19 145.44 52.06 47.92 0.02 51.15 1.03 0.07 0.00 0.01 0.00 47.02 0.72 66 L E E 4.04 24.88 19.64 45.42 116.09 -128.42 -91.46 132.01 0.27 99.73 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.69 0.03 67 F E E 46.04 12.65 27.02 40.17 127.67 -169.87 -123.16 143.03 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.01 68 A E E 5.29 23.82 14.95 39.45 112.99 -115.72 -77.02 134.35 7.63 92.36 0.00 7.83 0.10 0.00 0.00 0.00 0.00 91.69 0.37 69 K C S 104.16 6.24 23.41 30.40 95.71 -160.56 -86.93 -17.32 93.03 6.88 0.10 19.16 67.83 5.61 0.00 0.12 0.00 7.03 0.24 70 I C S 62.03 7.47 21.25 29.70 134.98 32.10 -134.75 159.39 92.32 7.55 0.13 2.76 83.17 6.50 0.00 0.12 0.00 7.10 0.34 71 D C C 85.18 6.85 21.61 29.06 113.03 -95.52 -67.53 138.85 92.29 7.58 0.13 52.32 35.51 3.87 0.01 0.18 0.00 7.82 0.28 72 G E E 10.92 10.43 20.89 33.43 143.04 91.93 164.92 -171.82 19.37 80.62 0.01 16.78 2.38 0.15 0.00 0.02 0.00 80.02 0.64 73 T E E 38.43 10.02 24.45 35.77 124.23 -66.82 -116.05 139.77 0.87 99.13 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.07 0.07 74 V E E 5.24 25.23 16.12 42.14 117.85 -148.10 -103.90 130.05 0.41 99.59 0.00 0.39 0.00 0.00 0.00 0.00 0.00 99.60 0.01 75 K E E 70.01 9.09 26.02 35.46 124.24 -169.46 -118.99 138.08 0.48 99.52 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.00 76 F E E 28.02 21.54 15.16 36.33 123.13 -155.89 -112.09 136.82 0.86 99.14 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.20 0.02 77 E E E 80.96 6.47 20.71 28.00 127.34 -175.64 -127.89 143.75 0.99 99.00 0.00 0.86 0.04 0.00 0.00 0.00 0.00 99.07 0.02 78 R E E 119.68 9.06 12.66 22.99 113.81 -125.45 -88.75 127.09 5.68 94.30 0.02 4.86 0.43 0.06 0.00 0.02 0.00 94.43 0.20 79 F E E 108.93 5.80 11.89 19.26 108.01 -176.44 -106.46 28.83 36.92 62.78 0.31 27.11 6.68 2.19 0.03 0.32 0.00 63.24 0.44 80 G C T 45.32 1.97 12.83 15.22 126.77 -48.02 134.76 -172.08 65.52 32.31 2.16 10.61 24.26 32.87 0.12 2.25 0.00 28.69 1.19 81 R C T 195.99 0.81 11.06 11.60 100.86 -28.18 -62.04 -3.97 97.39 0.49 2.12 3.63 22.15 71.19 0.08 2.49 0.00 0.33 0.14 82 D C T 123.82 1.63 11.22 13.64 98.66 -1.62 -94.19 15.49 97.06 1.14 1.80 5.89 27.02 63.84 0.06 2.14 0.00 0.84 0.21 83 R E E 114.68 5.67 12.36 19.91 121.64 97.75 -112.77 138.64 37.69 62.12 0.19 30.05 5.59 1.57 0.02 0.19 0.00 61.81 0.77 84 K E E 75.41 12.29 12.78 25.91 125.11 -167.97 -117.78 140.98 12.78 87.20 0.01 11.81 0.44 0.04 0.00 0.01 0.00 87.56 0.13 85 K E E 79.99 9.14 20.51 30.46 125.76 -163.51 -120.85 140.84 1.72 98.28 0.00 1.53 0.08 0.01 0.00 0.00 0.00 98.36 0.04 86 V E E 19.69 20.32 16.40 36.80 123.19 -159.33 -117.63 134.77 0.70 99.30 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.32 0.01 87 S E E 27.79 10.05 24.35 35.28 130.19 -170.33 -122.98 149.73 0.98 99.01 0.00 0.86 0.04 0.00 0.00 0.00 0.00 99.09 0.01 88 V E E 20.82 21.37 16.45 37.77 121.22 -150.48 -114.77 130.36 2.33 97.67 0.00 2.08 0.11 0.00 0.00 0.00 0.00 97.73 0.07 89 Y E E 80.56 9.16 21.29 31.24 123.66 -171.29 -123.09 133.43 9.81 90.18 0.01 8.83 0.57 0.02 0.00 0.00 0.00 90.39 0.19 90 P E E 66.87 9.51 16.83 26.98 114.13 -110.57 -67.19 145.68 22.75 76.92 0.32 18.79 3.16 0.91 0.05 0.30 0.00 76.16 0.63 91 V C C 67.48 11.52 11.22 23.30 114.25 -128.22 -90.33 132.79 81.60 16.10 2.30 64.97 9.78 5.92 0.40 2.16 0.00 15.21 1.56 92 A C C 77.44 3.57 10.99 16.31 114.40 -124.26 -85.81 139.33 91.83 6.40 1.77 86.18 1.45 4.62 0.35 1.18 0.00 5.13 1.09 93 Q C C 135.42 2.97 11.79 16.54 110.87 -118.15 -84.28 128.12 99.89 0.10 0.02 99.83 0.07 0.04 0.01 0.00 0.00 0.05 0.01