# 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 103.81 7.51 11.98 20.58 113.82 -140.51 -86.11 131.91 99.59 0.34 0.07 99.40 0.22 0.10 0.03 0.01 0.00 0.17 0.07 1 A C C 70.39 4.79 9.25 15.73 112.67 -132.57 -84.75 138.82 90.10 5.54 4.36 85.24 1.73 3.53 2.40 1.32 0.00 2.95 2.83 2 K C C 146.35 2.51 9.48 13.60 110.72 -144.17 -86.83 123.16 84.92 5.51 9.57 63.51 13.20 7.96 4.35 5.19 0.00 3.21 2.58 3 S C C 78.21 3.83 8.80 14.35 106.25 -137.14 -82.95 63.80 82.12 2.44 15.45 50.58 15.26 16.30 4.37 11.06 0.00 1.38 1.04 4 N C C 109.64 3.60 9.45 14.68 104.57 86.11 -89.39 47.04 81.90 2.35 15.74 50.14 15.16 16.52 4.16 11.68 0.00 1.29 1.04 5 K C C 138.25 3.24 9.91 14.87 105.92 126.46 -85.32 71.89 84.17 3.53 12.30 55.93 16.88 11.19 3.56 8.86 0.00 1.94 1.64 6 R C C 149.12 4.20 9.53 15.60 112.55 85.77 -90.31 126.20 88.79 5.18 6.03 62.09 19.64 6.53 2.16 3.83 0.00 2.35 3.40 7 R C C 152.88 3.26 10.94 16.11 117.89 -141.34 -93.80 138.62 97.44 2.08 0.48 74.74 22.20 0.70 0.23 0.21 0.00 0.98 0.95 8 P C C 89.45 4.75 10.49 17.15 113.71 -103.91 -66.33 148.39 96.34 1.85 1.80 85.67 8.05 2.59 0.70 1.00 0.00 0.83 1.16 9 A C C 62.91 6.10 8.91 16.78 115.44 -104.80 -72.55 148.07 91.59 1.15 7.26 74.12 10.76 6.10 1.93 5.83 0.00 0.58 0.69 10 P C C 97.64 3.57 10.01 15.32 109.45 -101.51 -68.62 144.76 86.55 1.27 12.18 56.05 13.72 15.38 2.13 11.41 0.00 0.67 0.65 11 E C C 151.28 1.90 10.14 13.32 108.03 -121.35 -85.06 94.08 85.11 1.73 13.16 54.06 17.58 12.60 2.70 11.20 0.00 0.88 0.98 12 K C C 129.92 3.80 9.40 15.12 117.26 95.78 -95.37 135.86 92.89 1.47 5.64 59.39 31.13 2.57 3.31 2.04 0.00 0.60 0.95 13 P C C 91.28 4.13 10.50 16.56 112.04 -107.60 -67.48 144.99 88.22 1.78 9.99 76.64 7.14 4.75 5.54 4.06 0.00 0.95 0.94 14 V C C 95.61 6.05 9.30 16.95 111.46 -129.23 -85.78 128.65 82.91 3.17 13.93 66.79 9.90 6.08 7.53 6.29 0.00 1.64 1.77 15 K C C 132.69 4.15 11.38 17.27 115.07 -137.75 -91.03 132.90 83.52 2.90 13.58 65.38 11.23 6.60 6.51 7.21 0.00 1.58 1.48 16 T C C 92.78 5.28 11.34 18.12 106.92 -137.61 -89.53 75.13 84.48 3.21 12.31 60.15 16.00 8.21 5.33 7.06 0.00 1.77 1.49 17 R C C 141.79 5.03 14.26 20.77 113.87 90.84 -96.58 131.13 85.66 6.01 8.34 60.26 18.59 6.80 3.73 4.59 0.00 3.54 2.48 18 K C C 108.57 8.26 16.67 25.76 117.63 -116.78 -89.07 141.97 83.36 12.54 4.11 68.22 11.42 2.25 2.63 1.63 0.00 5.48 8.37 19 C C C 14.52 19.02 12.51 31.80 112.93 -109.46 -70.92 139.21 91.78 6.59 1.63 86.27 4.50 0.69 1.30 0.34 0.00 2.25 4.65 20 V H H 69.95 5.74 20.87 27.74 92.45 -130.74 -62.83 -32.88 25.06 0.38 74.56 2.37 3.87 18.82 63.97 10.10 0.43 0.19 0.26 21 F H H 31.37 15.23 16.60 32.46 92.41 53.57 -66.66 -38.60 26.54 0.42 73.04 1.34 2.90 21.54 60.69 12.29 0.72 0.22 0.30 22 C H H 19.88 15.94 13.76 30.13 95.92 45.43 -78.90 -32.49 25.00 1.39 73.62 2.94 3.88 17.42 58.36 14.31 1.57 0.79 0.73 23 S H H 64.72 5.46 15.84 22.36 94.37 55.90 -71.93 -31.67 28.32 2.18 69.50 6.23 6.15 17.47 56.65 10.10 1.12 1.22 1.06 24 K C H 131.26 3.44 14.17 18.46 101.42 49.09 -85.96 2.15 51.39 1.62 47.00 5.92 9.65 35.71 38.69 7.54 0.61 0.82 1.05 25 K C T 135.82 4.67 12.93 19.02 100.35 -31.31 -70.29 19.49 69.84 1.15 29.01 8.48 14.40 46.84 22.22 6.51 0.14 0.50 0.90 26 G C T 51.86 4.30 13.88 19.51 100.58 -103.27 76.96 4.39 88.87 1.52 9.62 26.51 21.50 41.53 3.09 5.86 0.00 0.74 0.77 27 Q C C 91.18 8.00 14.51 23.65 112.76 118.19 -92.10 127.55 88.40 4.64 6.96 51.19 25.02 12.00 1.33 6.05 0.00 2.62 1.79 28 T C C 75.24 8.02 18.70 27.52 116.32 -136.66 -94.95 136.52 88.33 8.44 3.22 73.89 10.15 3.69 0.95 2.52 0.00 5.19 3.60 29 I C C 17.50 22.16 12.01 33.95 117.43 -140.27 -95.89 131.60 91.66 7.87 0.47 87.93 3.53 0.36 0.21 0.22 0.00 3.59 4.14 30 D C C 66.91 6.23 23.02 29.43 112.43 -149.50 -100.19 120.89 97.22 2.61 0.18 96.53 0.93 0.14 0.06 0.06 0.00 0.90 1.38 31 Y C T 66.40 18.75 12.59 30.94 93.00 -149.44 -66.80 -20.15 89.55 0.15 10.30 1.27 3.98 84.41 0.93 9.24 0.00 0.08 0.09 32 K C T 144.80 2.77 18.29 21.78 91.83 64.19 -78.22 -13.89 90.00 0.13 9.87 0.98 4.65 84.47 0.94 8.82 0.00 0.06 0.07 33 D C C 62.91 7.93 15.20 24.57 105.09 72.78 -103.40 87.25 90.26 1.65 8.09 74.76 10.85 3.72 1.95 6.73 0.00 0.61 1.38 34 T H H 51.60 15.16 12.37 27.46 93.83 170.97 -64.70 -33.97 6.61 0.05 93.34 2.21 1.05 3.54 86.45 6.69 0.01 0.03 0.03 35 A H H 71.07 2.11 19.74 21.23 91.41 58.93 -63.40 -39.13 2.42 0.01 97.57 0.15 0.18 2.07 89.29 8.30 0.01 0.00 0.00 36 L H H 44.22 10.26 17.60 29.19 92.17 50.07 -65.83 -40.49 1.41 0.01 98.58 0.10 0.10 1.17 90.76 7.84 0.00 0.01 0.00 37 L H H 5.54 24.88 13.02 37.99 91.69 52.28 -64.03 -40.39 1.40 0.01 98.58 0.14 0.12 1.04 91.61 7.06 0.00 0.01 0.00 38 R H H 123.46 9.21 19.95 29.65 91.08 56.13 -64.39 -32.83 6.55 0.05 93.40 0.38 0.35 5.31 69.18 24.71 0.02 0.03 0.01 39 T H H 83.65 3.77 23.22 26.85 92.02 55.99 -72.56 -24.57 23.84 0.07 76.09 0.51 0.93 22.15 51.38 24.88 0.05 0.03 0.05 40 Y H H 27.25 19.25 16.33 35.86 97.28 47.19 -95.97 -7.07 40.60 0.34 59.06 1.83 3.02 34.08 38.13 22.41 0.09 0.20 0.24 41 I E B 25.73 19.56 13.10 32.62 121.80 89.23 -96.89 141.64 6.33 93.43 0.24 3.44 0.84 0.03 0.23 0.01 0.00 8.56 86.87 42 S C C 33.25 8.38 15.05 25.23 124.09 -132.09 -80.29 172.77 96.52 3.34 0.14 96.73 0.38 0.13 0.05 0.04 0.00 1.98 0.69 43 E C T 161.98 1.62 14.68 16.89 90.85 -88.10 -64.66 -19.98 98.15 0.89 0.96 0.59 3.98 93.92 0.12 0.65 0.00 0.53 0.21 44 R C T 160.31 1.92 17.09 18.71 93.21 55.23 -88.47 1.91 98.82 0.19 0.98 0.28 3.93 94.78 0.07 0.79 0.00 0.10 0.05 45 G C S 16.05 16.32 12.93 29.28 96.11 -105.74 82.32 10.05 98.99 0.54 0.47 10.26 87.08 1.86 0.05 0.30 0.00 0.25 0.20 46 K C C 96.49 5.80 21.96 28.60 121.19 134.57 -90.67 147.38 91.96 7.76 0.28 73.43 18.06 0.41 0.18 0.12 0.00 4.08 3.72 47 I E B 22.35 21.81 13.77 35.48 113.11 -111.18 -78.82 130.73 11.34 88.31 0.36 8.32 0.75 0.08 0.31 0.05 0.00 12.25 78.25 48 R C C 93.72 9.87 19.73 30.01 115.35 -134.60 -83.85 141.04 90.00 8.66 1.34 85.86 3.57 0.75 0.82 0.45 0.00 6.94 1.61 49 A C C 43.01 12.54 15.38 28.11 110.20 -118.43 -76.18 142.82 87.64 4.90 7.46 77.85 6.57 3.29 4.23 3.03 0.00 2.86 2.17 50 R C C 136.39 8.05 14.75 23.64 98.87 -132.34 -74.63 -19.60 74.70 4.75 20.55 36.11 21.11 18.55 8.35 11.23 0.05 2.51 2.09 51 R C C 155.91 3.42 15.86 20.27 100.74 65.23 -86.25 -2.16 67.99 11.08 20.93 33.08 18.52 18.16 9.26 10.73 0.17 6.55 3.52 52 V C C 67.39 10.79 11.51 22.93 110.57 81.96 -93.92 107.66 69.34 15.08 15.58 43.76 16.45 8.74 9.41 6.48 0.10 8.75 6.32 53 T C C 72.92 7.81 12.61 21.54 116.30 96.16 -106.29 137.27 81.91 9.42 8.66 55.42 15.66 10.51 5.95 3.07 0.01 5.98 3.40 54 G C S 53.12 3.35 15.78 19.85 103.30 -56.47 77.80 -13.63 85.43 3.72 10.85 18.28 40.28 27.95 5.71 4.14 0.06 2.04 1.55 55 N C S 75.85 9.32 13.39 23.54 112.94 78.87 -91.97 134.11 81.00 5.95 13.05 23.70 37.78 20.36 8.13 4.24 0.13 2.87 2.80 56 C C C 47.51 9.17 14.26 24.58 111.47 -95.43 -81.38 134.36 79.74 7.92 12.34 67.06 7.62 4.08 10.70 2.49 0.01 3.67 4.37 57 V H H 85.05 6.29 15.86 23.38 94.51 -119.10 -64.53 -37.65 5.10 0.07 94.84 2.38 0.96 1.82 94.14 0.65 0.00 0.03 0.02 58 Q H H 110.06 2.52 20.08 22.20 92.29 52.55 -64.88 -40.78 1.87 0.02 98.11 0.46 0.22 1.11 97.64 0.55 0.00 0.01 0.00 59 H H H 53.37 12.17 17.62 30.39 92.55 48.51 -66.43 -40.20 1.07 0.02 98.92 0.34 0.12 0.57 98.46 0.50 0.00 0.01 0.00 60 Q H H 35.62 16.95 16.53 33.27 91.93 53.08 -63.27 -42.13 0.30 0.00 99.70 0.08 0.02 0.15 99.62 0.12 0.00 0.00 0.00 61 R H H 130.68 3.72 23.20 27.03 91.66 50.56 -64.12 -40.90 0.20 0.00 99.79 0.03 0.01 0.12 99.78 0.05 0.00 0.00 0.00 62 D H H 66.78 6.50 23.35 30.02 91.74 49.55 -64.87 -41.10 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 63 I H H 16.89 20.18 19.04 39.15 92.15 49.69 -64.95 -42.31 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 64 A H H 27.00 13.24 21.44 34.96 91.50 51.72 -62.60 -42.38 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 65 V H H 75.69 3.17 25.63 28.05 91.50 49.29 -64.09 -42.47 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 66 A H H 22.54 11.99 21.45 34.30 91.63 50.12 -64.26 -42.49 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 67 V H H 15.86 19.96 19.08 38.81 91.75 49.81 -64.08 -42.88 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 68 K H H 97.45 6.84 23.64 30.90 91.51 50.49 -62.98 -41.86 0.18 0.00 99.82 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 69 N H H 74.48 4.19 23.19 27.17 91.71 48.99 -64.73 -41.25 0.43 0.00 99.57 0.03 0.02 0.30 99.58 0.06 0.00 0.00 0.00 70 A H H 15.09 14.30 16.59 32.14 91.69 51.56 -64.15 -41.58 0.47 0.00 99.53 0.05 0.03 0.33 99.37 0.22 0.00 0.00 0.00 71 R H H 87.28 11.58 17.17 29.05 92.00 50.97 -64.22 -40.41 0.63 0.00 99.36 0.06 0.03 0.47 99.09 0.34 0.00 0.00 0.00 72 E H H 119.89 2.80 18.04 21.12 92.26 50.35 -65.94 -37.44 1.38 0.00 98.62 0.08 0.06 1.14 98.30 0.41 0.00 0.00 0.00 73 V H H 83.50 4.87 15.20 20.98 94.09 49.95 -78.37 -24.35 7.82 0.01 92.16 0.24 0.33 7.42 91.28 0.71 0.01 0.00 0.00 74 A H H 65.45 7.29 14.21 22.24 97.13 8.97 -68.09 -4.11 49.27 0.08 50.65 0.95 1.75 45.86 50.04 1.28 0.03 0.03 0.06 75 L C T 101.65 4.98 14.53 20.60 97.65 85.59 -84.27 -11.37 71.75 0.46 27.80 5.59 9.32 54.67 27.58 2.28 0.03 0.16 0.36 76 L C S 75.12 8.98 10.12 20.34 115.71 73.03 -103.06 124.62 86.55 2.03 11.42 33.56 44.79 8.97 5.80 4.71 0.02 0.78 1.38 77 P C C 92.65 3.37 12.86 17.66 108.13 -126.78 -70.35 132.36 85.17 1.70 13.13 53.03 13.41 18.63 4.23 8.96 0.00 0.93 0.81 78 F C C 144.55 4.31 10.21 16.36 111.36 -149.11 -91.05 118.75 78.35 5.90 15.75 43.91 15.04 19.93 5.42 9.78 0.03 2.96 2.93 79 G C C 50.96 3.86 10.35 15.83 113.10 142.26 -103.77 142.09 82.78 5.36 11.86 52.88 15.06 15.06 4.30 7.37 0.01 3.07 2.25 80 S C C 82.56 3.15 9.16 14.19 111.91 -143.43 -95.90 118.21 85.83 4.39 9.79 47.76 22.99 15.68 3.08 6.37 0.01 2.41 1.71 81 S C C 84.57 2.53 8.54 12.92 112.35 -159.82 -96.01 121.95 88.63 4.26 7.12 50.86 24.37 13.90 1.97 4.95 0.01 2.40 1.54 82 T C C 103.84 2.52 7.45 11.94 113.10 -159.96 -93.25 126.84 93.69 3.06 3.25 86.66 2.09 5.58 1.17 1.46 0.00 2.02 1.03 83 R C C 169.54 2.58 10.11 14.56 113.06 -151.94 -96.20 128.71 99.62 0.32 0.06 99.44 0.18 0.11 0.03 0.01 0.00 0.20 0.04