# 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 110.21 6.43 11.97 19.79 113.32 -155.16 -93.65 126.30 99.92 0.07 0.02 99.84 0.07 0.04 0.01 0.00 0.00 0.03 0.01 1 N C C 106.66 4.25 10.49 16.43 110.27 -157.22 -92.73 112.88 93.73 1.54 4.73 87.15 1.57 5.72 1.19 2.80 0.00 0.82 0.76 2 D C C 101.78 4.37 10.39 16.44 106.42 -159.93 -90.00 69.35 87.98 2.62 9.40 53.97 16.56 16.47 1.14 9.41 0.00 1.59 0.87 3 T C C 88.97 4.26 12.23 17.95 109.26 120.63 -91.71 91.44 85.60 4.44 9.96 47.73 20.75 16.45 1.06 10.00 0.00 2.95 1.05 4 Y C C 105.45 12.20 10.02 22.22 116.98 -136.02 -96.83 131.89 81.90 12.02 6.07 59.86 14.02 7.47 0.92 5.94 0.00 9.46 2.31 5 Q C C 109.24 4.17 16.80 22.31 121.25 -165.32 -111.35 136.76 73.48 26.28 0.24 57.79 15.31 0.54 0.08 0.18 0.00 23.56 2.54 6 P C C 84.05 7.48 15.48 24.37 114.87 -106.32 -65.98 145.10 59.63 40.06 0.31 55.14 3.33 0.50 0.15 0.19 0.00 31.55 9.13 7 I C C 37.62 18.86 10.22 28.32 115.28 -116.74 -83.85 137.32 82.68 17.02 0.29 79.20 3.62 0.38 0.15 0.15 0.00 10.37 6.14 8 N C C 88.29 4.22 18.63 23.19 113.45 -117.70 -77.94 140.95 96.64 2.96 0.41 93.76 2.95 0.42 0.21 0.12 0.00 1.75 0.78 9 C H H 73.14 8.68 12.08 22.03 93.49 -132.30 -62.59 -31.25 32.16 0.31 67.53 7.18 4.82 18.39 45.19 24.05 0.04 0.16 0.18 10 D H H 108.07 1.73 17.02 18.53 92.46 61.09 -67.14 -29.84 30.47 0.16 69.37 3.27 3.08 21.66 48.26 23.51 0.05 0.08 0.10 11 D H H 48.12 11.55 14.62 26.90 95.72 51.36 -81.16 -20.64 22.29 0.29 77.41 5.93 3.02 11.90 52.83 26.02 0.03 0.15 0.13 12 Y H H 64.20 16.32 13.63 29.52 92.76 71.99 -62.85 -41.18 6.45 0.05 93.50 3.41 1.07 2.18 90.91 2.39 0.00 0.02 0.02 13 D H H 93.21 2.36 21.13 22.85 91.77 52.50 -64.76 -39.75 2.96 0.02 97.02 1.00 0.36 1.60 95.93 1.09 0.00 0.01 0.01 14 N H H 69.24 7.28 20.37 28.19 92.02 50.47 -65.44 -40.54 1.08 0.01 98.91 0.28 0.10 0.61 98.44 0.55 0.00 0.00 0.00 15 L H H 9.43 23.05 16.09 38.83 92.13 50.62 -64.53 -42.44 0.35 0.00 99.64 0.08 0.03 0.18 99.56 0.15 0.00 0.00 0.00 16 E H H 76.45 10.44 21.24 31.72 91.48 52.12 -62.46 -42.20 0.35 0.00 99.65 0.08 0.02 0.17 99.61 0.12 0.00 0.00 0.00 17 L H H 76.95 3.14 23.29 25.68 91.58 50.26 -63.73 -42.64 0.53 0.00 99.46 0.09 0.04 0.31 99.39 0.17 0.00 0.00 0.00 18 A H H 11.52 15.03 17.19 33.47 91.76 50.73 -64.13 -41.91 1.19 0.01 98.80 0.18 0.08 0.76 98.54 0.42 0.00 0.00 0.00 19 C H H 18.70 19.56 15.27 34.50 92.51 50.23 -65.42 -39.26 3.33 0.01 96.65 0.33 0.20 2.54 95.76 1.15 0.00 0.01 0.00 20 Q H H 114.71 4.10 19.85 24.59 91.85 51.70 -66.74 -32.67 9.60 0.03 90.37 0.41 0.47 8.59 89.62 0.88 0.02 0.01 0.01 21 H C T 114.05 3.76 18.79 22.81 96.21 43.63 -92.83 0.28 71.01 0.10 28.89 1.01 3.00 65.49 29.21 1.16 0.01 0.03 0.08 22 H C T 110.23 9.25 17.75 27.59 95.79 -114.33 61.49 39.82 98.46 0.16 1.39 5.77 2.73 90.25 0.97 0.17 0.00 0.08 0.04 23 L C C 32.38 15.67 16.01 32.21 118.81 167.32 -88.02 143.37 84.12 15.80 0.08 77.33 4.86 0.45 0.02 0.05 0.00 17.03 0.26 24 M E E 72.00 10.23 24.03 34.46 116.83 -130.21 -93.05 132.47 11.03 88.96 0.01 10.37 0.36 0.02 0.00 0.00 0.00 89.13 0.12 25 L E E 5.10 24.70 16.65 41.87 129.83 -173.78 -126.86 148.84 0.33 99.67 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.67 0.00 26 T E E 29.25 9.93 26.40 37.82 118.90 -142.96 -107.60 130.23 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 27 L E E 3.64 25.37 17.58 43.91 120.12 -162.67 -112.64 129.32 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 28 E E E 53.55 8.20 24.13 33.46 116.56 -159.77 -110.19 123.84 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 29 L E E 17.35 17.72 13.07 31.34 121.89 -149.73 -86.45 162.05 14.79 85.19 0.02 14.40 0.26 0.03 0.00 0.01 0.00 84.98 0.30 30 K C T 125.05 7.05 14.24 22.76 91.65 -104.55 -61.30 -27.37 98.71 0.79 0.50 0.59 3.08 95.23 0.01 0.43 0.00 0.59 0.06 31 D C T 110.00 1.58 14.93 16.40 93.12 56.33 -85.94 0.54 99.42 0.13 0.44 0.47 3.19 95.83 0.02 0.39 0.00 0.08 0.02 32 G C S 46.75 3.90 13.45 18.80 98.19 -101.20 89.73 4.71 98.90 0.77 0.33 18.15 79.30 1.58 0.03 0.27 0.00 0.50 0.16 33 E C C 86.93 5.54 14.26 21.86 117.45 138.73 -74.49 143.59 96.81 3.18 0.01 96.63 0.44 0.04 0.00 0.00 0.00 2.75 0.12 34 K E E 108.32 10.02 15.23 26.75 125.46 -156.74 -122.57 138.98 1.94 98.06 0.00 1.88 0.06 0.00 0.00 0.00 0.00 97.88 0.16 35 L E E 34.42 15.15 16.58 32.56 129.53 -175.10 -131.11 145.07 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 36 Q E E 96.31 8.14 22.41 31.36 119.51 -145.09 -105.55 133.91 0.54 99.46 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.00 37 A E E 9.59 19.91 16.50 36.69 138.58 170.98 -146.20 161.51 2.79 97.21 0.00 2.74 0.08 0.00 0.00 0.00 0.00 97.16 0.01 38 K E E 95.52 6.55 25.77 33.03 119.98 -121.80 -104.75 135.04 3.31 96.68 0.01 3.06 0.14 0.01 0.00 0.00 0.00 96.73 0.06 39 A E E 7.96 24.02 12.72 37.10 111.51 -116.47 -72.15 131.54 7.81 92.13 0.07 7.52 0.26 0.05 0.02 0.03 0.00 91.89 0.24 40 S E E 55.94 5.99 21.95 28.48 103.34 176.75 -101.52 -31.30 15.59 84.30 0.11 9.50 5.36 0.70 0.01 0.10 0.00 84.16 0.17 41 D E E 75.23 4.03 23.78 28.01 135.94 -0.55 -153.49 152.77 8.31 91.65 0.04 5.70 2.01 0.27 0.00 0.03 0.00 91.91 0.07 42 L E E 55.68 19.73 12.23 30.76 121.95 -147.51 -117.96 130.18 3.25 96.72 0.02 2.93 0.18 0.02 0.01 0.01 0.00 96.81 0.05 43 V E E 64.60 5.40 19.58 26.02 129.27 -176.83 -133.29 148.20 1.18 98.81 0.01 1.06 0.07 0.01 0.00 0.00 0.00 98.79 0.06 44 S E E 64.42 9.49 11.62 22.29 120.49 -143.78 -109.43 134.90 8.11 91.82 0.06 6.68 0.73 0.15 0.01 0.03 0.00 92.30 0.10 45 R E E 122.98 5.19 11.68 18.93 122.04 171.53 -134.04 124.67 18.46 81.17 0.36 9.93 5.66 3.16 0.05 0.35 0.00 80.36 0.50 46 K C T 174.07 0.88 13.58 13.83 94.40 -16.16 51.92 42.49 98.77 0.68 0.55 1.43 10.69 86.57 0.02 0.66 0.00 0.55 0.08 47 N C T 121.66 3.12 13.35 17.90 93.87 -48.74 65.56 19.30 99.38 0.28 0.34 1.38 10.40 87.54 0.01 0.42 0.00 0.22 0.03 48 V E E 43.60 10.93 14.19 26.88 125.47 112.66 -117.25 139.37 9.10 90.88 0.03 6.30 2.19 0.28 0.00 0.02 0.00 90.91 0.30 49 E E E 36.18 14.16 17.23 32.82 114.68 -132.87 -89.18 130.00 2.55 97.44 0.00 2.18 0.13 0.01 0.00 0.00 0.00 97.65 0.02 50 Y E E 29.09 14.77 21.33 37.05 131.85 -176.95 -130.85 149.43 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 51 L E E 5.25 23.01 19.54 43.38 119.75 -143.71 -108.69 131.09 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 52 V E E 23.36 11.70 24.98 38.19 118.02 -157.35 -109.39 127.76 0.09 99.91 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 53 V E E 7.88 20.88 15.92 37.43 129.59 -175.76 -126.37 148.54 0.25 99.75 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 54 E E E 85.00 6.76 19.94 27.64 112.97 -134.31 -97.41 122.77 3.35 96.63 0.02 2.62 0.32 0.05 0.00 0.01 0.00 96.96 0.04 55 A E E 29.38 14.48 10.25 24.83 121.74 171.12 -130.93 128.21 17.84 81.68 0.49 12.42 4.21 1.73 0.08 0.41 0.00 80.66 0.49 56 A C T 97.58 1.18 13.35 14.61 95.11 -17.08 48.70 42.48 97.96 0.87 1.17 1.83 10.98 85.06 0.06 1.23 0.00 0.71 0.12 57 G C T 66.73 0.62 12.49 12.19 95.85 -49.23 80.68 1.30 98.57 0.26 1.17 1.86 11.99 84.60 0.06 1.25 0.00 0.19 0.05 58 E E E 118.25 2.51 13.15 17.22 125.22 98.29 -115.08 145.55 21.90 77.84 0.26 14.11 7.31 1.47 0.05 0.23 0.00 76.15 0.67 59 T E E 81.18 8.42 11.57 21.55 118.67 -134.07 -101.45 132.89 10.95 88.99 0.06 9.71 0.64 0.10 0.02 0.03 0.00 89.38 0.12 60 R E E 84.25 9.90 15.96 27.23 129.17 -176.22 -129.62 144.33 3.14 96.78 0.08 2.65 0.20 0.04 0.03 0.02 0.00 97.03 0.03 61 E E E 98.80 9.22 19.21 29.28 118.70 -138.92 -101.19 131.22 1.02 98.93 0.04 0.89 0.04 0.01 0.02 0.01 0.00 99.01 0.02 62 L E E 12.46 21.44 15.86 37.53 124.08 -170.55 -120.59 135.51 1.48 98.45 0.07 1.34 0.05 0.01 0.04 0.01 0.00 98.50 0.04 63 R E E 107.64 6.60 25.14 32.01 111.82 -132.54 -87.74 124.30 6.85 92.78 0.37 6.20 0.44 0.14 0.12 0.11 0.00 92.78 0.21 64 L C C 8.04 25.51 12.48 37.96 105.76 -155.20 -89.81 74.00 39.66 25.94 34.40 33.31 2.66 2.66 2.03 31.39 0.00 27.65 0.30 65 D C G 87.06 5.33 22.06 27.85 94.75 137.94 -81.30 -23.96 41.91 18.10 39.99 10.75 11.16 20.54 1.34 39.03 0.01 16.72 0.46 66 K C G 97.95 6.89 22.04 29.26 118.56 31.63 -130.54 91.73 35.61 29.89 34.50 11.11 7.28 18.34 1.28 32.87 0.01 28.62 0.48 67 I E E 30.13 22.33 11.90 33.36 111.07 106.35 -84.36 120.42 16.26 79.50 4.24 15.00 1.49 0.53 1.41 2.29 0.00 78.02 1.25 68 T E E 65.50 6.44 20.80 27.96 101.02 176.76 -95.30 -32.15 19.15 77.33 3.51 12.75 5.20 2.14 0.94 2.08 0.00 76.54 0.34 69 S E E 49.25 6.30 22.71 29.88 142.13 -0.64 -156.40 153.49 9.00 88.75 2.25 6.17 1.72 1.33 0.39 1.39 0.00 88.76 0.24 70 F E E 54.86 20.97 12.34 32.00 127.56 -169.02 -136.37 133.89 14.34 84.78 0.88 12.49 1.71 0.53 0.41 0.48 0.00 83.07 1.29 71 S E E 57.85 5.99 20.43 27.02 121.73 -174.03 -122.53 132.05 47.16 52.49 0.35 36.08 9.80 1.16 0.10 0.28 0.00 51.48 1.09 72 H C C 82.80 11.70 13.09 25.28 119.90 119.17 -118.97 131.17 85.65 13.70 0.65 60.46 21.27 3.38 0.14 0.57 0.00 13.27 0.92 73 P C C 79.06 6.87 14.48 22.44 104.81 -116.78 -70.53 107.72 91.41 3.32 5.28 41.18 22.25 28.15 0.85 4.40 0.00 2.62 0.57 74 E C C 126.95 4.24 15.42 20.83 112.17 37.26 -93.40 102.60 82.78 11.06 6.15 38.86 18.74 25.90 1.15 4.81 0.01 9.18 1.35 75 I C C 79.41 11.97 11.96 24.13 114.62 -147.47 -97.48 125.85 72.39 22.75 4.86 45.93 13.97 12.92 1.13 3.73 0.01 20.43 1.89 76 G C C 35.37 6.88 17.38 25.05 117.01 -150.03 -119.25 -157.23 63.25 35.04 1.71 36.78 17.18 9.09 0.41 1.21 0.00 34.37 0.95 77 T E E 70.81 7.72 17.52 26.18 125.17 -25.17 -121.03 140.26 37.56 61.12 1.33 30.83 4.66 1.55 0.51 0.69 0.00 60.93 0.82 78 V E E 38.76 17.23 13.66 30.97 120.44 -160.82 -114.80 128.50 21.74 77.77 0.49 19.94 1.19 0.28 0.27 0.17 0.00 77.59 0.57 79 V E E 70.30 7.03 20.54 28.50 117.38 -160.87 -108.53 125.64 16.61 83.06 0.33 15.50 0.70 0.18 0.20 0.10 0.00 82.72 0.62 80 V E E 40.48 16.86 12.49 29.29 118.27 -164.85 -106.73 130.41 26.55 72.83 0.62 23.46 1.92 0.52 0.33 0.24 0.00 72.64 0.89 81 S C E 61.37 5.97 15.55 22.70 122.86 -169.37 -111.06 146.71 54.49 44.82 0.69 42.83 8.46 1.88 0.22 0.44 0.00 45.15 1.01 82 E C C 125.37 5.49 11.77 18.93 112.74 -119.16 -87.66 132.20 80.12 19.38 0.49 75.25 2.49 1.05 0.13 0.32 0.00 19.94 0.81 83 S C C 78.25 4.11 13.02 18.76 113.03 -115.73 -88.85 136.04 99.81 0.19 0.01 99.77 0.07 0.03 0.00 0.00 0.00 0.13 0.01