# 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 103.15 7.44 12.55 21.10 113.62 -147.27 -91.80 128.88 99.90 0.07 0.03 99.85 0.07 0.03 0.01 0.00 0.00 0.03 0.01 1 T C C 83.19 5.60 10.29 17.32 106.72 -163.83 -90.53 53.56 75.89 5.00 19.11 70.65 1.38 3.81 17.86 1.61 0.00 2.29 2.41 2 D C C 93.79 3.63 10.35 15.44 106.48 95.97 -87.24 50.42 61.39 2.94 35.67 49.17 5.77 5.43 34.73 2.32 0.00 1.50 1.07 3 L H H 107.79 4.06 10.31 15.96 96.17 105.63 -69.39 -30.12 21.98 1.01 77.02 14.90 3.40 5.61 69.98 5.16 0.02 0.66 0.27 4 I H H 109.47 2.70 12.15 15.80 94.42 56.11 -68.34 -37.38 11.58 0.74 87.67 6.33 1.93 4.42 80.02 6.54 0.02 0.59 0.16 5 L H H 88.47 4.54 12.41 18.42 93.90 52.63 -67.76 -38.74 8.12 0.67 91.21 4.00 1.36 3.54 83.05 7.33 0.02 0.58 0.12 6 L H H 77.68 6.77 12.24 20.46 93.52 52.07 -66.65 -38.38 7.45 0.56 91.99 3.32 1.28 3.55 85.06 6.21 0.03 0.44 0.12 7 A H H 59.79 3.95 13.85 19.06 93.28 53.94 -66.24 -38.14 11.80 0.76 87.44 3.99 1.88 6.46 79.73 7.12 0.09 0.52 0.22 8 A H H 63.51 3.30 14.13 18.28 93.72 53.18 -69.01 -35.10 20.47 0.64 78.90 5.43 2.95 12.74 70.96 7.18 0.11 0.37 0.26 9 V H H 74.69 6.87 12.77 20.92 97.35 51.15 -78.07 -30.93 30.09 0.98 68.93 10.81 5.74 15.43 60.56 6.40 0.10 0.49 0.46 10 Q H H 100.41 7.04 12.07 20.38 95.78 66.53 -69.47 -31.73 45.39 1.79 52.82 22.10 8.98 16.30 41.76 9.05 0.08 0.90 0.83 11 S C C 81.68 2.60 13.01 16.65 97.76 62.78 -76.80 -12.50 63.82 1.93 34.26 27.97 11.36 25.14 24.78 8.82 0.04 0.97 0.91 12 T C C 95.78 3.21 12.94 17.30 101.07 53.96 -93.07 -0.22 73.79 3.71 22.50 34.52 17.32 23.05 13.11 8.39 0.07 1.80 1.75 13 V C C 70.53 9.72 9.66 20.42 115.69 99.75 -94.56 128.43 96.48 2.47 1.05 50.69 45.20 1.11 0.71 0.32 0.00 1.02 0.95 14 P C C 72.88 6.47 12.12 20.27 112.59 -111.15 -67.63 147.84 95.87 1.99 2.14 87.87 5.47 2.79 0.85 1.08 0.00 1.19 0.76 15 D C C 114.57 3.03 12.65 17.24 103.68 -129.45 -85.05 48.26 91.59 3.79 4.62 70.40 15.34 5.47 1.99 2.63 0.00 1.72 2.45 16 T C C 80.38 6.04 11.05 18.59 114.72 102.51 -100.66 130.18 84.97 3.62 11.41 58.99 18.47 7.36 4.91 6.49 0.00 1.89 1.89 17 V C C 94.44 5.77 12.07 19.18 106.76 -142.30 -88.15 68.35 81.23 2.60 16.17 40.71 26.45 14.71 6.04 9.58 0.01 1.38 1.14 18 R C C 158.64 3.14 15.26 19.64 114.30 -111.88 -88.42 132.91 80.30 4.06 15.63 47.69 19.17 13.81 6.79 8.60 0.01 2.29 1.64 19 W C C 92.22 15.22 9.08 23.47 114.00 -137.82 -87.71 128.09 82.50 3.89 13.61 64.24 13.07 4.64 9.76 3.97 0.00 1.66 2.66 20 S C C 54.25 4.04 16.55 21.28 124.44 -154.74 -103.55 169.93 86.70 1.60 11.71 76.98 6.77 2.27 11.35 1.04 0.00 0.61 0.98 21 W H H 183.04 3.30 14.13 18.71 92.44 -97.24 -62.13 -34.54 20.11 0.18 79.71 4.15 4.10 12.67 77.23 1.62 0.06 0.07 0.11 22 T H H 87.57 2.41 17.65 19.93 92.98 52.80 -67.09 -38.78 15.04 0.12 84.84 2.60 2.12 10.50 83.40 1.22 0.04 0.04 0.07 23 G H H 12.94 13.17 14.43 28.76 92.34 51.68 -64.94 -42.00 5.09 0.04 94.87 1.84 0.83 2.42 94.27 0.60 0.00 0.01 0.02 24 S H H 30.65 12.78 15.82 29.32 92.28 51.94 -63.87 -41.63 1.10 0.00 98.89 0.46 0.12 0.42 98.86 0.15 0.00 0.00 0.00 25 A H H 61.50 3.09 21.07 23.59 91.74 50.89 -64.34 -41.12 0.30 0.00 99.70 0.10 0.02 0.13 99.70 0.05 0.00 0.00 0.00 26 I H H 79.46 5.74 20.72 26.81 91.96 49.18 -64.88 -42.42 0.11 0.00 99.89 0.03 0.01 0.05 99.89 0.02 0.00 0.00 0.00 27 I H H 31.23 17.71 17.15 34.74 92.28 49.31 -64.69 -42.40 0.08 0.00 99.92 0.02 0.00 0.04 99.93 0.01 0.00 0.00 0.00 28 I H H 72.06 9.27 20.55 30.15 91.67 49.28 -63.18 -42.03 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 29 G H H 38.96 2.37 23.27 24.15 91.40 49.20 -64.18 -41.80 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.01 0.00 0.00 0.00 30 A H H 29.33 10.25 19.22 30.49 91.88 49.66 -65.01 -41.91 0.21 0.00 99.79 0.02 0.01 0.13 99.83 0.01 0.00 0.00 0.00 31 S H H 19.15 17.34 17.06 34.38 91.85 51.24 -64.43 -41.75 0.34 0.00 99.66 0.03 0.02 0.23 99.70 0.02 0.00 0.00 0.00 32 L H H 88.69 4.48 22.09 26.30 91.54 50.46 -64.12 -41.10 0.26 0.00 99.74 0.02 0.01 0.18 99.76 0.03 0.00 0.00 0.00 33 V H H 80.40 3.08 22.29 24.56 91.73 49.26 -64.57 -42.37 0.19 0.00 99.81 0.02 0.01 0.12 99.79 0.05 0.00 0.00 0.00 34 I H H 35.02 14.16 16.81 31.69 91.80 50.05 -64.42 -42.28 0.23 0.00 99.77 0.03 0.01 0.16 99.65 0.15 0.00 0.00 0.00 35 L H H 61.26 11.87 17.77 29.86 91.80 50.47 -63.80 -41.24 0.46 0.00 99.54 0.02 0.01 0.41 99.26 0.29 0.00 0.00 0.00 36 F H H 123.69 2.13 21.01 21.98 91.83 49.63 -64.65 -41.53 2.16 0.01 97.83 0.07 0.07 2.17 97.25 0.43 0.00 0.00 0.00 37 I H H 78.60 4.92 19.42 24.73 92.58 46.99 -66.18 -40.90 5.31 0.03 94.67 0.33 0.34 4.68 93.88 0.75 0.01 0.01 0.01 38 A H H 18.23 15.04 13.81 29.70 92.10 54.15 -63.82 -40.64 8.18 0.06 91.76 1.28 0.76 5.70 82.97 9.21 0.02 0.03 0.02 39 S H H 50.12 7.96 16.65 25.66 91.97 53.34 -65.70 -34.19 11.70 0.07 88.23 1.15 0.86 9.05 78.10 10.72 0.04 0.04 0.03 40 R H H 149.82 2.05 18.83 20.31 93.36 51.87 -71.43 -28.39 15.21 0.13 84.66 1.68 1.49 11.48 74.82 10.31 0.08 0.06 0.06 41 T H H 58.38 8.47 14.99 24.47 96.48 47.43 -81.79 -24.86 29.92 0.69 69.39 4.90 4.60 21.30 62.18 6.05 0.26 0.33 0.38 42 I C H 55.87 15.01 10.80 25.28 106.68 70.08 -86.32 89.36 56.96 5.66 37.38 25.02 11.21 22.50 30.83 4.73 0.33 2.65 2.73 43 R C C 163.36 2.60 16.08 19.47 97.64 112.49 -75.23 -29.33 72.06 4.53 23.41 30.26 20.40 22.32 18.38 4.24 0.20 2.06 2.14 44 F C C 118.61 4.08 13.92 19.33 108.51 35.10 -121.84 76.44 96.91 1.53 1.56 63.46 31.59 1.85 0.88 0.58 0.00 0.54 1.10 45 P C T 69.78 11.06 10.63 22.35 101.38 162.34 -65.68 -8.54 87.85 0.76 11.39 18.58 7.42 61.17 1.31 10.72 0.00 0.45 0.34 46 Q C T 135.67 2.79 14.78 18.58 97.92 52.66 -83.75 7.34 88.51 0.96 10.52 14.71 9.44 63.36 1.17 10.33 0.00 0.56 0.44 47 V C C 84.64 5.84 12.89 20.30 112.71 102.17 -92.32 123.64 86.02 3.26 10.72 47.26 27.81 10.55 2.09 8.71 0.00 1.34 2.24 48 G C C 34.25 7.17 12.95 21.48 131.79 35.01 141.27 -178.19 96.89 2.48 0.62 59.22 35.39 2.35 0.16 0.46 0.00 1.15 1.27 49 P C C 80.20 5.56 13.98 20.98 114.70 -50.86 -69.13 149.83 97.37 1.70 0.94 74.08 18.24 4.95 0.19 0.82 0.00 0.89 0.83 50 K C C 149.52 3.07 14.88 19.61 113.35 -109.69 -80.24 136.10 94.69 4.51 0.79 76.71 14.29 3.20 0.20 0.65 0.00 1.82 3.13 51 M C C 74.38 12.64 8.72 21.47 115.51 -118.86 -83.71 137.44 96.24 3.48 0.28 80.83 14.49 0.90 0.08 0.20 0.00 1.59 1.91 52 P C C 98.44 2.64 14.22 17.73 107.18 -113.48 -69.86 134.76 97.29 2.37 0.33 79.75 15.82 1.69 0.08 0.28 0.00 1.06 1.34 53 L C C 84.62 7.58 8.48 17.52 119.66 -128.46 -103.65 138.18 97.73 1.77 0.50 69.33 25.29 2.93 0.12 0.39 0.00 0.63 1.32 54 P C S 108.20 2.13 12.02 15.21 99.59 -123.20 -71.36 -14.47 98.91 0.46 0.63 34.14 56.11 8.62 0.09 0.57 0.00 0.21 0.25 55 F C C 120.39 4.43 10.05 16.28 113.99 37.96 -117.32 117.38 97.32 0.98 1.69 57.39 36.30 3.43 0.49 1.12 0.00 0.28 0.99 56 P C G 80.10 5.85 10.09 17.68 103.33 -129.61 -66.26 90.46 53.12 0.56 46.32 18.98 7.38 26.00 5.63 41.44 0.00 0.28 0.28 57 A H G 82.72 2.95 11.63 15.64 97.20 66.81 -71.90 -15.44 43.10 0.56 56.34 8.13 6.44 27.80 7.19 49.87 0.00 0.31 0.26 58 L H G 106.84 4.15 11.12 16.68 97.34 63.79 -79.48 -15.71 39.83 1.30 58.88 14.62 8.49 17.61 7.35 50.69 0.01 0.71 0.53 59 F C C 104.03 8.01 9.90 19.13 106.94 57.77 -97.71 50.99 65.59 3.28 31.13 34.31 14.26 17.68 7.26 22.97 0.02 1.40 2.10 60 N C S 111.64 3.71 14.93 19.72 104.37 -145.12 -86.88 74.32 88.72 2.01 9.27 30.43 36.92 21.99 2.55 5.94 0.00 0.85 1.30 61 N C S 88.82 7.82 16.31 24.87 121.39 -6.74 -111.02 139.26 96.43 1.86 1.71 38.56 50.92 7.20 0.54 1.00 0.00 0.83 0.96 62 P C C 38.63 17.05 13.69 30.18 115.84 -104.27 -73.70 146.08 92.15 5.33 2.52 78.04 11.20 2.30 1.90 0.69 0.00 2.04 3.82 63 S C C 40.74 8.52 21.27 30.08 121.78 -131.05 -87.58 164.94 85.32 9.69 4.99 75.65 6.74 1.19 5.15 0.44 0.00 1.78 9.05 64 V H H 60.12 15.03 18.36 32.92 92.36 -103.99 -60.58 -37.51 1.78 0.01 98.21 0.45 0.28 0.89 98.17 0.21 0.00 0.00 0.00 65 G H H 28.71 9.35 21.74 31.49 91.70 54.43 -63.30 -40.34 0.74 0.00 99.25 0.16 0.06 0.43 99.14 0.19 0.00 0.00 0.00 66 T H H 40.74 12.73 22.38 34.98 91.94 49.84 -65.38 -40.78 0.17 0.00 99.83 0.04 0.01 0.09 99.75 0.11 0.00 0.00 0.00 67 V H H 22.36 19.76 21.36 40.10 91.77 49.20 -63.59 -42.87 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 68 L H H 53.76 14.02 24.93 38.23 91.47 49.24 -63.67 -42.12 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 69 G H H 25.18 8.82 25.77 35.03 91.41 50.12 -63.74 -41.94 0.25 0.00 99.75 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 70 S H H 21.68 15.66 24.71 39.97 91.90 49.28 -65.22 -41.51 0.84 0.00 99.16 0.05 0.04 0.65 99.14 0.12 0.00 0.00 0.00 71 V H H 23.25 19.86 24.71 43.21 92.31 50.02 -64.78 -41.80 2.31 0.01 97.68 0.19 0.14 1.74 97.68 0.23 0.00 0.00 0.00 72 S H H 34.78 12.66 26.01 38.44 92.04 50.92 -64.22 -42.40 4.18 0.03 95.79 0.65 0.42 2.96 95.56 0.38 0.01 0.01 0.01 73 L H H 66.21 8.06 27.88 36.52 91.74 49.35 -64.58 -42.11 2.10 0.01 97.89 0.33 0.21 1.43 97.69 0.32 0.00 0.00 0.00 74 G H H 8.04 18.68 22.65 40.97 91.73 51.47 -63.98 -42.32 1.48 0.01 98.51 0.27 0.12 0.96 98.28 0.36 0.00 0.00 0.00 75 H H H 38.04 19.50 23.27 41.26 91.68 50.64 -64.37 -41.76 1.47 0.01 98.52 0.24 0.11 1.06 98.11 0.47 0.00 0.00 0.00 76 I H H 75.81 8.91 26.48 35.17 91.80 49.05 -64.36 -42.55 1.30 0.01 98.69 0.16 0.09 0.96 98.33 0.45 0.00 0.00 0.00 77 V H H 59.95 8.40 26.67 35.56 91.90 48.03 -64.93 -42.04 2.66 0.01 97.33 0.22 0.14 2.16 97.12 0.36 0.00 0.00 0.00 78 G H H 5.20 20.89 20.96 41.48 91.60 50.67 -64.20 -42.14 2.27 0.00 97.73 0.22 0.12 1.69 97.77 0.21 0.00 0.00 0.00 79 I H H 42.44 16.20 23.14 38.73 91.51 50.81 -63.00 -42.54 0.34 0.00 99.66 0.04 0.02 0.21 99.64 0.09 0.00 0.00 0.00 80 G H H 32.22 6.00 25.51 31.24 91.52 50.73 -63.61 -42.21 0.20 0.00 99.79 0.02 0.01 0.13 99.77 0.07 0.00 0.00 0.00 81 I H H 55.69 11.02 23.83 35.08 91.95 49.23 -64.86 -42.23 0.21 0.00 99.79 0.02 0.01 0.14 99.76 0.08 0.00 0.00 0.00 82 I H H 19.09 20.42 19.93 39.78 91.78 49.03 -63.84 -43.04 0.28 0.00 99.72 0.02 0.01 0.19 99.70 0.07 0.00 0.00 0.00 83 L H H 63.31 9.36 22.66 32.19 91.34 49.47 -63.31 -41.94 0.66 0.00 99.33 0.06 0.04 0.48 99.24 0.18 0.00 0.00 0.00 84 G H H 30.48 4.57 21.59 26.26 91.43 50.20 -63.51 -41.98 2.60 0.01 97.39 0.22 0.15 2.09 96.96 0.56 0.01 0.00 0.00 85 L H H 32.62 12.13 17.07 30.42 92.04 48.75 -65.43 -40.95 4.41 0.06 95.53 0.58 0.43 3.37 94.16 1.37 0.05 0.02 0.02 86 N H H 54.91 12.01 14.89 27.49 91.73 51.82 -64.10 -40.75 7.86 0.10 92.05 1.12 0.79 6.03 89.02 2.87 0.08 0.05 0.05 87 N H H 110.53 2.92 16.12 19.42 91.41 53.01 -66.39 -28.31 19.40 0.12 80.48 1.28 1.26 17.20 77.52 2.55 0.07 0.05 0.07 88 L C T 102.49 3.51 13.47 18.01 93.33 53.28 -84.59 -5.23 71.53 0.22 28.25 1.62 4.44 64.32 26.43 2.89 0.02 0.08 0.20 89 G C T 53.45 2.90 13.59 17.73 95.48 -111.87 77.35 11.77 95.61 0.24 4.15 4.98 7.62 83.21 2.90 1.02 0.00 0.13 0.13 90 I C C 92.49 5.68 12.38 19.71 97.16 122.35 -79.08 -19.82 93.73 2.01 4.26 44.08 33.37 16.49 1.99 2.13 0.00 0.96 0.99 91 L C C 64.25 13.15 8.76 21.62 115.57 60.20 -103.99 121.85 87.22 7.75 5.03 63.92 10.47 12.50 2.28 2.40 0.01 4.31 4.11 92 K C C 147.22 2.76 16.25 20.20 108.94 -150.18 -93.14 112.04 99.83 0.16 0.02 99.78 0.07 0.03 0.00 0.00 0.00 0.10 0.01