# 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 91.75 9.68 9.54 19.99 116.08 -146.91 -86.58 140.61 99.91 0.08 0.01 99.85 0.08 0.02 0.01 0.00 0.00 0.03 0.02 1 K C C 129.56 2.91 10.60 14.99 113.22 -120.54 -81.24 134.47 95.39 2.65 1.96 94.34 0.71 1.02 0.80 0.51 0.00 0.80 1.82 2 K C T 158.25 2.26 9.38 13.43 101.23 -118.53 -62.57 -23.46 77.94 1.85 20.21 9.61 10.76 56.24 1.98 19.31 0.01 0.98 1.12 3 D C T 125.18 1.05 11.30 12.58 95.82 43.04 -73.34 -1.53 80.43 0.76 18.81 5.96 10.57 62.20 1.46 18.96 0.00 0.44 0.40 4 I C T 91.55 5.72 9.94 17.22 100.99 71.43 -91.18 -13.69 71.60 5.67 22.73 17.52 22.27 32.53 2.42 19.53 0.05 2.59 3.09 5 H C C 83.09 9.16 8.93 19.40 117.84 79.03 -106.56 127.63 93.23 5.81 0.96 49.91 41.98 1.78 0.27 0.70 0.00 2.86 2.50 6 P C C 71.64 5.72 12.58 20.05 114.08 -114.81 -68.48 152.95 96.01 2.73 1.25 56.91 17.23 21.58 0.13 1.53 0.00 2.23 0.41 7 K C C 145.84 2.62 15.41 19.06 111.50 -101.67 -75.94 133.59 83.28 15.11 1.61 47.17 15.29 20.03 0.13 2.02 0.00 14.55 0.81 8 Y E E 94.06 13.79 9.25 22.67 127.30 -161.32 -120.48 149.60 38.93 60.95 0.12 35.39 2.86 0.23 0.03 0.10 0.00 59.84 1.56 9 E E E 103.88 4.56 16.63 22.44 123.53 -155.79 -115.36 142.98 11.72 88.24 0.04 10.32 0.95 0.08 0.01 0.02 0.00 88.28 0.35 10 E E E 119.85 5.99 15.13 22.87 114.71 -116.16 -79.90 134.74 7.24 92.75 0.01 6.81 0.27 0.02 0.00 0.01 0.00 92.82 0.07 11 I E E 34.66 14.05 12.01 27.19 130.25 -176.71 -130.23 150.77 4.01 95.99 0.00 3.65 0.15 0.01 0.00 0.00 0.00 96.16 0.03 12 T E E 69.85 5.85 19.10 26.02 118.82 -135.51 -106.13 132.08 0.74 99.26 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.31 0.01 13 A E E 15.71 17.29 12.91 30.78 128.92 -174.93 -128.10 148.15 0.22 99.78 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 14 S E E 54.87 5.29 19.49 25.68 117.37 -140.95 -106.31 128.75 1.27 98.72 0.00 1.11 0.05 0.00 0.00 0.00 0.00 98.74 0.09 15 C C C 21.16 16.26 9.94 26.26 123.81 -153.60 -91.82 167.61 57.75 42.17 0.08 55.95 1.27 0.15 0.01 0.05 0.00 41.29 1.27 16 S C T 82.48 3.54 14.53 19.21 91.58 -101.68 -64.70 -21.88 98.86 0.50 0.64 0.48 6.79 91.71 0.02 0.61 0.00 0.34 0.07 17 C C T 80.17 3.94 13.07 18.38 93.03 57.11 -87.68 -0.72 99.34 0.17 0.49 0.31 7.42 91.68 0.01 0.45 0.00 0.10 0.03 18 G C S 52.61 2.20 14.57 17.27 97.62 -101.44 87.81 5.21 98.64 1.02 0.33 15.45 82.16 1.24 0.03 0.23 0.00 0.56 0.31 19 N C C 69.38 6.47 11.67 20.34 118.03 136.03 -77.77 144.64 95.62 4.34 0.04 93.98 1.83 0.17 0.01 0.03 0.00 3.61 0.37 20 V E E 87.75 6.93 13.40 22.43 122.74 -156.41 -120.25 135.00 2.02 97.98 0.00 1.88 0.09 0.00 0.00 0.00 0.00 97.84 0.18 21 M E E 62.47 11.30 13.25 25.98 125.71 -172.89 -125.36 139.06 0.19 99.81 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.81 0.00 22 K E E 123.29 4.99 17.27 23.85 116.78 -144.39 -100.63 129.98 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 23 I E E 46.64 14.71 12.00 27.26 127.88 -176.11 -127.12 146.04 0.59 99.41 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.44 0.01 24 R E E 140.46 4.00 18.78 24.02 121.53 -152.14 -113.35 134.90 3.45 96.55 0.00 3.02 0.17 0.01 0.00 0.00 0.00 96.73 0.06 25 S E E 29.11 15.88 10.37 25.95 125.27 -162.48 -121.05 151.58 23.36 76.57 0.07 21.82 1.14 0.12 0.02 0.04 0.00 75.98 0.89 26 T C S 87.91 4.30 15.94 21.35 97.33 -145.27 -86.68 -11.78 86.19 13.33 0.48 22.41 56.05 7.20 0.05 0.44 0.00 13.14 0.72 27 V C S 82.03 5.92 12.42 19.75 114.06 65.54 -91.34 121.40 89.72 9.58 0.70 10.83 65.19 14.11 0.07 0.61 0.00 7.78 1.41 28 G C C 57.17 2.47 14.00 17.56 100.30 -119.12 81.30 5.78 95.93 3.54 0.53 46.65 40.38 8.92 0.05 0.70 0.00 2.70 0.60 29 H C C 119.98 3.11 14.29 18.79 127.22 92.17 -117.07 153.36 94.73 4.98 0.30 54.38 38.00 2.59 0.03 0.36 0.00 3.89 0.74 30 D C C 104.28 4.40 13.78 20.06 113.75 -104.33 -78.60 133.20 81.87 17.91 0.22 73.27 6.28 1.28 0.02 0.26 0.00 18.03 0.85 31 L E E 51.77 14.19 10.31 24.90 121.13 -165.37 -115.35 132.66 28.42 71.55 0.04 27.26 1.03 0.08 0.01 0.03 0.00 69.68 1.92 32 N E E 115.47 2.47 18.81 21.75 113.99 -148.02 -98.25 122.84 9.59 90.37 0.04 8.98 0.37 0.04 0.02 0.02 0.00 84.61 5.95 33 L E E 47.31 16.48 9.42 25.32 121.54 -168.42 -114.40 138.35 40.65 59.24 0.11 39.23 1.22 0.14 0.04 0.07 0.00 57.84 1.47 34 D C S 103.95 2.58 18.47 20.99 99.11 -149.17 -86.34 -14.53 84.10 15.77 0.12 30.37 52.10 1.53 0.01 0.12 0.00 15.20 0.66 35 V C C 63.31 8.60 13.96 23.92 127.67 33.58 -129.31 141.83 75.82 23.72 0.46 47.66 28.49 1.01 0.18 0.34 0.00 11.06 11.25 36 C C C 39.99 9.45 14.19 25.35 122.82 -159.79 -106.74 153.56 94.55 5.18 0.26 93.28 1.67 0.23 0.08 0.14 0.00 2.54 2.06 37 S C T 63.46 7.70 13.40 22.55 91.72 -116.89 -62.62 -27.09 72.47 0.51 27.01 2.34 5.51 62.70 1.48 27.42 0.00 0.28 0.27 38 K C T 150.22 1.85 16.61 18.71 91.73 62.53 -72.01 -22.30 74.23 0.17 25.60 0.63 3.09 70.89 1.21 24.01 0.00 0.09 0.08 39 C C T 58.47 7.69 13.10 22.31 100.34 40.15 -103.28 -7.23 73.26 0.60 26.14 2.63 7.17 61.96 1.77 25.81 0.00 0.32 0.35 40 H C C 51.68 11.60 9.92 22.80 115.71 102.50 -87.17 134.60 96.25 1.44 2.31 67.73 27.10 0.79 1.77 0.48 0.00 0.29 1.85 41 P H G 79.31 4.26 14.25 20.10 92.93 -139.91 -63.02 -27.93 35.37 0.17 64.46 2.22 2.60 28.56 26.57 39.81 0.02 0.09 0.13 42 F H G 114.47 5.31 12.39 19.09 92.75 59.31 -73.40 -24.05 31.71 0.31 67.98 1.98 2.47 25.16 28.96 40.96 0.07 0.16 0.23 43 F H G 106.80 6.98 10.52 18.86 95.48 60.02 -76.46 -19.48 27.97 1.26 70.77 5.82 4.74 16.10 30.36 41.59 0.14 0.68 0.57 44 T C H 89.66 2.58 11.86 15.33 99.64 48.16 -92.59 -4.88 51.69 2.91 45.40 12.20 13.42 26.64 27.39 16.70 0.45 1.30 1.90 45 G C T 55.73 2.78 10.50 14.85 98.37 -110.56 77.48 5.44 88.72 1.64 9.64 24.20 32.32 32.97 3.95 4.90 0.01 0.78 0.87 46 K C C 156.06 1.22 11.35 12.97 104.89 105.09 -93.19 14.45 89.37 3.96 6.67 50.85 23.84 14.73 2.42 4.29 0.00 2.26 1.61 47 Q C C 114.78 4.92 8.69 15.59 114.14 97.51 -92.49 128.00 85.07 8.99 5.94 68.68 11.08 5.09 2.64 3.30 0.00 6.85 2.36 48 R C C 162.19 3.01 10.19 15.14 117.10 -166.44 -105.67 136.92 80.21 13.66 6.14 66.73 9.49 3.59 3.63 2.73 0.00 10.61 3.22 49 D C C 109.49 2.83 10.48 15.06 113.13 -129.63 -90.89 125.09 74.74 17.01 8.24 58.84 10.95 4.42 5.42 3.38 0.01 12.88 4.09 50 V C C 94.95 5.76 9.34 16.60 108.19 -161.42 -94.07 91.13 72.55 14.58 12.87 54.30 11.55 6.03 9.09 4.40 0.02 11.03 3.58 51 A C C 74.53 4.08 10.46 16.08 105.28 79.41 -84.41 60.02 79.85 7.62 12.53 59.28 12.00 7.88 9.05 4.06 0.01 5.78 1.96 52 T C C 97.62 3.13 10.75 15.30 105.14 62.66 -92.24 11.63 76.89 3.96 19.15 36.02 22.71 18.31 15.06 4.19 0.04 2.38 1.28 53 G C S 45.89 4.07 11.88 17.10 105.96 53.15 3.38 -4.26 73.79 1.40 24.81 20.74 30.35 22.46 21.53 3.55 0.04 0.59 0.74 54 G C H 39.00 3.64 13.28 18.07 110.73 43.27 47.28 -131.21 52.05 1.18 46.77 19.35 22.21 11.36 43.51 2.51 0.05 0.42 0.59 55 R H H 138.22 4.00 13.53 18.48 94.29 -24.97 -66.78 -35.83 10.27 0.42 89.32 4.63 2.40 4.25 86.50 1.81 0.04 0.23 0.13 56 V H H 68.95 5.75 12.32 19.60 92.77 52.28 -65.23 -40.56 4.67 0.34 94.99 2.03 0.83 2.22 93.06 1.52 0.03 0.25 0.06 57 D H H 79.59 2.41 14.46 17.33 92.25 51.09 -65.04 -39.99 3.40 0.32 96.28 1.62 0.53 1.61 94.31 1.59 0.02 0.28 0.04 58 R H H 126.69 2.11 14.34 16.66 92.42 50.90 -65.55 -40.09 3.79 0.35 95.86 1.51 0.56 2.03 93.86 1.68 0.02 0.31 0.04 59 F H H 89.24 4.54 11.96 18.20 92.47 50.89 -66.04 -40.02 4.72 0.36 94.93 1.75 0.66 2.59 92.75 1.86 0.02 0.32 0.05 60 N H H 82.93 3.46 11.90 16.82 92.68 52.62 -65.55 -38.21 6.86 0.30 92.85 2.62 0.87 3.60 90.27 2.32 0.01 0.24 0.06 61 K H H 139.75 1.24 12.24 13.38 93.15 52.48 -67.07 -37.95 10.96 0.23 88.82 2.49 1.19 7.23 84.94 3.89 0.03 0.16 0.07 62 R H H 156.18 1.79 10.80 13.34 94.14 52.51 -70.15 -32.22 15.98 0.24 83.78 3.03 1.78 10.90 80.46 3.56 0.04 0.14 0.10 63 F H H 132.32 3.24 8.45 13.28 99.04 48.25 -88.14 -5.76 40.91 1.09 58.00 8.62 6.24 26.53 53.93 3.51 0.10 0.50 0.58 64 N C T 124.71 1.69 9.59 12.53 100.70 -118.06 -45.85 40.67 81.50 0.66 17.84 35.50 1.76 41.96 18.56 1.55 0.00 0.33 0.35 65 I C C 108.27 4.43 9.55 15.79 109.47 138.24 -88.03 102.00 99.92 0.05 0.02 99.85 0.06 0.04 0.01 0.00 0.00 0.03 0.01