# 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 K C C 137.11 4.45 18.05 23.61 112.57 -151.94 -90.79 127.51 99.73 0.26 0.01 99.30 0.42 0.08 0.01 0.00 0.00 0.15 0.03 1 V C C 69.62 10.42 15.23 26.38 120.06 -136.56 -101.02 137.41 73.59 25.55 0.85 72.39 1.49 0.37 0.63 0.19 0.00 7.67 17.27 2 C C C 19.34 15.69 12.77 29.32 115.53 -118.05 -77.03 144.74 85.59 13.26 1.15 81.55 3.27 0.59 0.84 0.32 0.00 6.22 7.20 3 Y C T 98.97 7.73 19.07 28.15 92.41 -125.56 -62.70 -31.91 63.97 1.18 34.85 3.59 10.68 49.39 20.58 13.68 0.55 0.61 0.92 4 F C T 34.35 17.48 14.42 31.81 93.42 53.66 -71.60 -32.66 65.66 2.17 32.17 3.43 9.56 51.42 17.76 13.89 1.09 1.15 1.71 5 T C T 42.60 12.48 13.75 26.68 100.77 43.44 -91.27 -31.74 57.90 8.48 33.61 8.48 12.33 35.58 15.37 16.35 2.50 4.33 5.07 6 S C T 76.97 3.52 14.89 19.57 94.04 63.64 -67.48 -28.22 66.20 6.62 27.19 5.74 11.17 46.89 15.17 11.57 1.49 3.23 4.74 7 N C T 102.68 3.70 14.89 19.63 95.05 43.52 -92.86 4.18 83.12 1.00 15.89 3.24 10.64 69.09 6.60 9.03 0.05 0.56 0.79 8 G C T 45.33 4.60 15.56 21.32 97.50 -108.32 80.86 10.70 91.84 3.13 5.03 17.36 17.40 57.28 1.22 3.71 0.00 1.95 1.07 9 I C C 42.94 15.69 10.57 26.26 112.35 139.95 -90.00 120.26 79.73 16.50 3.77 67.15 7.25 3.62 1.27 2.81 0.00 9.72 8.17 10 T C C 84.99 5.85 17.94 24.89 103.15 174.95 -101.74 -11.97 86.13 9.56 4.30 45.96 30.53 9.77 0.65 4.23 0.01 6.82 2.03 11 H C C 116.05 4.91 20.51 26.31 121.85 44.16 -121.63 129.51 83.54 13.38 3.09 54.15 21.61 7.91 0.54 3.24 0.01 9.03 3.51 12 I C C 22.21 21.91 11.49 32.69 122.04 -165.05 -114.46 132.61 88.32 11.30 0.38 84.95 3.30 0.33 0.17 0.21 0.00 6.57 4.47 13 D C C 66.71 5.78 22.14 28.22 110.23 -146.21 -98.60 115.11 97.23 2.58 0.20 96.85 0.74 0.16 0.06 0.07 0.00 1.20 0.92 14 Y C T 64.50 18.75 12.13 30.52 93.13 -156.09 -67.13 -19.23 74.10 0.24 25.66 2.18 4.53 65.83 1.28 25.92 0.00 0.13 0.12 15 K C T 143.70 2.84 18.05 21.65 91.95 64.88 -78.85 -13.71 75.64 0.22 24.14 1.58 5.08 67.66 1.33 24.10 0.00 0.12 0.13 16 D C C 63.95 7.39 15.27 24.16 106.20 73.20 -105.03 90.06 79.42 1.55 19.03 60.18 11.20 6.19 2.74 17.99 0.00 0.63 1.07 17 V H H 55.29 15.00 11.91 27.01 93.76 174.30 -65.02 -33.68 7.61 0.05 92.34 2.16 1.25 4.18 83.75 8.60 0.01 0.02 0.03 18 D H H 103.68 1.73 19.61 20.66 91.45 59.62 -64.08 -37.39 3.29 0.01 96.70 0.24 0.24 2.65 86.71 10.15 0.00 0.01 0.00 19 L H H 37.58 10.71 17.00 29.25 92.24 51.43 -65.63 -40.42 1.61 0.01 98.38 0.12 0.11 1.30 89.35 9.10 0.00 0.00 0.00 20 L H H 6.45 24.69 12.75 37.44 91.24 52.93 -64.14 -39.81 1.44 0.01 98.56 0.14 0.11 1.07 90.51 8.16 0.00 0.00 0.00 21 K H H 111.69 8.70 19.74 29.15 90.91 56.52 -63.93 -32.20 6.87 0.03 93.10 0.35 0.35 5.67 69.77 23.81 0.02 0.02 0.01 22 K H H 127.04 3.28 23.27 26.57 91.71 56.41 -71.72 -26.09 25.84 0.05 74.10 0.49 0.95 24.48 51.59 22.38 0.04 0.02 0.04 23 F H H 19.79 20.16 16.05 36.49 96.74 47.85 -96.08 -7.75 43.63 0.27 56.09 1.84 3.12 36.93 39.16 18.49 0.09 0.15 0.21 24 V E B 22.70 19.44 13.48 32.92 122.52 87.38 -100.12 142.03 6.25 93.50 0.25 3.41 0.82 0.03 0.24 0.02 0.00 9.15 86.33 25 S C C 31.93 8.61 14.76 25.24 123.55 -131.49 -80.52 173.08 95.13 4.74 0.13 95.59 0.33 0.11 0.05 0.04 0.00 3.10 0.78 26 E C T 162.78 1.47 14.42 16.60 90.43 -91.02 -63.63 -21.64 98.52 0.73 0.76 0.57 4.23 94.01 0.08 0.51 0.00 0.44 0.15 27 R C T 163.64 1.65 16.77 17.91 93.03 55.30 -88.11 1.40 99.14 0.17 0.69 0.26 3.98 95.04 0.04 0.56 0.00 0.08 0.04 28 G C S 17.51 16.08 12.70 28.71 96.13 -105.78 82.48 10.21 99.26 0.45 0.29 10.73 87.41 1.30 0.02 0.19 0.00 0.20 0.16 29 K C C 101.71 4.83 21.97 27.64 120.74 135.99 -89.64 145.48 93.89 6.01 0.10 76.46 17.44 0.30 0.05 0.06 0.00 3.24 2.45 30 I E B 29.36 21.00 14.28 34.99 113.63 -113.95 -80.41 132.40 9.83 90.05 0.12 6.94 0.66 0.03 0.12 0.01 0.00 10.71 81.52 31 L C C 39.90 13.39 16.93 31.34 114.69 -117.48 -74.36 139.19 95.10 4.75 0.16 93.79 1.67 0.13 0.08 0.04 0.00 3.74 0.54 32 P C C 57.26 8.18 18.59 27.71 113.21 -105.92 -66.64 146.83 91.83 3.08 5.09 85.72 4.36 2.12 3.13 1.62 0.00 1.78 1.28 33 R C C 124.26 11.15 13.01 24.60 93.85 -119.14 -63.09 -26.99 64.35 2.73 32.92 29.34 16.86 19.27 16.90 14.73 0.05 1.26 1.60 34 R C C 166.10 2.26 16.63 19.28 94.93 65.85 -73.42 -19.04 59.75 5.25 35.00 27.17 15.07 18.76 19.18 14.59 0.17 2.74 2.32 35 V C C 68.59 9.89 13.03 23.72 99.47 58.89 -86.31 -9.65 59.74 7.11 33.16 32.23 15.12 13.42 20.78 11.52 0.17 3.76 2.99 36 T C C 53.15 13.39 11.96 25.16 103.46 67.46 -90.85 4.52 74.76 4.74 20.50 41.86 16.35 16.51 16.21 4.51 0.05 2.32 2.18 37 G C S 54.60 3.10 17.12 20.93 99.37 -103.89 81.05 5.76 89.25 2.71 8.04 31.56 37.77 20.64 4.64 2.84 0.01 1.33 1.20 38 T C S 44.69 13.57 10.32 24.10 121.51 114.48 -93.94 151.17 87.48 4.69 7.82 39.27 40.41 7.93 5.76 2.02 0.02 1.82 2.77 39 N C C 78.29 4.14 16.73 21.39 117.07 -101.73 -74.65 157.91 90.60 3.39 6.01 80.84 6.78 2.51 5.27 1.12 0.00 1.32 2.16 40 A H H 68.50 5.55 13.56 20.76 92.48 -110.55 -59.73 -37.59 3.02 0.02 96.97 0.96 0.60 1.26 96.74 0.44 0.00 0.00 0.01 41 K H H 135.72 1.60 18.30 19.06 91.89 53.27 -64.54 -40.49 1.19 0.00 98.80 0.21 0.12 0.74 98.52 0.41 0.00 0.00 0.00 42 Y H H 65.92 10.92 16.12 28.06 92.56 48.29 -66.51 -40.76 0.54 0.00 99.45 0.12 0.05 0.31 99.12 0.40 0.00 0.00 0.00 43 Q H H 41.04 15.98 15.00 30.92 91.84 52.43 -62.74 -41.99 0.24 0.00 99.75 0.05 0.02 0.13 99.69 0.12 0.00 0.00 0.00 44 R H H 138.84 2.72 22.00 24.41 91.70 50.22 -64.28 -41.08 0.24 0.00 99.76 0.03 0.01 0.15 99.75 0.06 0.00 0.00 0.00 45 K H H 104.53 4.79 22.23 27.13 91.62 49.39 -64.80 -40.94 0.19 0.00 99.81 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 46 L H H 15.01 20.60 17.17 37.82 92.23 49.75 -65.15 -42.29 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 47 T H H 43.95 12.17 21.21 33.48 91.54 51.05 -63.28 -42.16 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 48 A H H 52.73 2.79 24.32 26.05 91.35 49.93 -63.59 -42.34 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 49 A H H 21.37 11.50 20.46 33.21 91.75 50.07 -64.37 -42.40 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 50 I H H 17.85 20.11 18.02 37.91 91.96 50.02 -64.10 -42.87 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 51 K H H 103.66 5.48 22.96 28.86 91.53 50.56 -63.19 -41.70 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 52 R H H 119.41 3.31 22.76 25.53 91.76 49.58 -64.49 -41.53 0.18 0.00 99.82 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 53 A H H 12.90 14.22 15.55 31.31 91.59 51.05 -64.06 -41.68 0.24 0.00 99.76 0.02 0.01 0.16 99.70 0.11 0.00 0.00 0.00 54 R H H 89.84 10.85 16.45 27.83 92.07 50.76 -64.15 -40.65 0.52 0.00 99.48 0.04 0.02 0.38 99.32 0.23 0.00 0.00 0.00 55 Q H H 118.03 2.37 17.01 19.60 92.09 50.60 -65.94 -36.63 1.38 0.00 98.61 0.07 0.05 1.17 98.40 0.30 0.00 0.00 0.00 56 M H H 105.61 4.17 14.17 19.47 93.81 51.40 -76.86 -22.44 8.81 0.01 91.17 0.24 0.31 8.52 90.30 0.59 0.01 0.00 0.01 57 A C T 72.45 5.11 14.02 20.31 97.22 -59.83 -44.05 -5.23 62.60 0.05 37.35 0.75 1.73 58.77 37.74 0.96 0.00 0.01 0.04 58 L C T 99.85 5.15 14.05 20.45 98.37 73.93 -86.67 -11.21 79.19 0.26 20.55 4.03 7.51 65.23 21.44 1.47 0.01 0.09 0.21 59 L C C 60.43 11.73 9.20 21.51 117.35 71.21 -102.79 130.56 92.47 1.29 6.24 44.28 41.59 6.73 2.26 3.76 0.00 0.51 0.87 60 P C C 93.34 3.28 13.88 18.36 102.95 -128.22 -68.07 23.13 91.63 0.97 7.40 54.40 19.68 16.96 1.34 6.68 0.00 0.54 0.41 61 Y C C 149.83 4.99 10.67 17.34 111.13 61.14 -95.91 111.56 79.62 10.03 10.36 52.96 12.06 14.14 2.44 8.33 0.01 5.77 4.29 62 V C C 89.81 6.28 9.17 17.14 115.42 116.29 -102.12 128.38 89.56 7.38 3.06 86.22 1.37 2.56 1.14 1.50 0.00 5.14 2.08 63 S C C 83.52 2.93 12.66 17.27 113.83 -152.15 -95.75 135.33 99.86 0.13 0.01 99.77 0.09 0.04 0.00 0.00 0.00 0.08 0.01