# 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 104.94 8.01 12.49 21.54 115.17 -166.79 -96.87 130.15 99.76 0.21 0.02 99.71 0.11 0.04 0.01 0.00 0.00 0.11 0.03 1 G C C 47.26 4.40 11.19 17.04 117.52 -144.37 -93.32 162.04 91.12 5.96 2.91 86.61 1.49 3.43 1.43 1.06 0.00 3.94 2.05 2 K C C 154.04 2.44 10.16 13.78 108.84 -98.92 -88.36 107.04 83.98 8.83 7.19 60.34 13.26 9.91 3.27 4.05 0.00 5.76 3.40 3 F C C 137.75 4.81 8.76 15.04 105.69 57.63 -87.13 82.50 79.77 6.90 13.33 47.38 14.53 18.33 4.95 8.11 0.01 4.39 2.30 4 G C C 53.28 3.60 11.05 15.95 107.35 43.02 -86.81 49.79 80.55 3.85 15.60 43.15 18.32 19.69 6.27 8.87 0.01 2.13 1.56 5 A C C 74.81 4.23 10.21 15.95 111.23 108.29 -91.23 120.85 77.17 3.44 19.38 45.94 20.53 10.91 11.02 8.23 0.01 1.75 1.62 6 L C C 107.27 4.80 10.33 16.69 114.14 -131.71 -87.71 132.91 71.36 3.27 25.37 47.02 15.56 8.69 17.17 8.44 0.01 1.77 1.32 7 P C C 94.55 4.40 10.57 16.57 108.69 -121.89 -75.27 135.72 63.73 4.42 31.85 41.54 9.54 12.26 19.18 13.09 0.02 2.96 1.42 8 S C C 76.94 4.48 10.65 16.60 107.50 -122.66 -86.63 91.71 54.70 9.67 35.63 32.18 9.88 13.07 19.93 15.45 0.13 6.54 2.82 9 A C C 69.11 5.63 10.18 17.28 111.13 115.11 -91.16 115.28 53.35 12.66 34.00 26.06 12.15 16.43 18.71 14.37 0.34 8.61 3.32 10 K C C 135.52 3.89 12.04 17.35 106.88 -145.95 -87.99 88.36 63.29 10.29 26.42 33.86 12.78 17.23 14.87 11.29 0.15 7.09 2.73 11 L C C 95.35 7.38 9.94 18.51 109.24 80.27 -87.19 110.91 69.67 9.51 20.82 41.02 16.61 12.26 12.74 8.17 0.10 5.70 3.40 12 R C C 142.80 4.91 11.82 18.14 110.39 -150.43 -90.70 115.71 78.68 7.07 14.25 51.90 14.00 12.25 8.39 6.23 0.02 3.96 3.25 13 R C T 161.28 3.59 11.74 16.94 102.48 -126.28 -74.40 -2.11 81.94 3.84 14.22 21.44 14.84 45.94 6.00 7.87 0.03 2.20 1.67 14 C C T 88.21 4.70 11.94 17.89 101.91 45.30 -87.49 13.88 86.22 2.52 11.26 20.31 18.39 47.94 3.32 7.54 0.01 1.51 0.99 15 S C C 54.18 8.64 10.72 20.52 114.67 103.84 -94.49 130.49 83.85 8.27 7.89 54.29 21.57 8.07 2.62 5.38 0.01 5.00 3.06 16 A C C 69.64 5.01 14.49 20.73 111.91 -133.81 -83.51 131.81 78.56 16.85 4.59 63.72 9.38 4.36 2.28 2.42 0.00 10.36 7.47 17 V C C 77.78 10.31 10.67 21.60 114.96 -153.88 -97.65 125.43 84.29 12.95 2.75 68.19 12.74 2.84 1.53 1.35 0.00 8.05 5.30 18 T C C 71.53 5.97 12.35 19.89 120.37 -157.08 -101.77 136.87 91.79 7.12 1.09 74.11 16.34 1.62 0.59 0.53 0.00 4.81 2.01 19 P C C 103.28 3.26 12.43 17.36 111.78 -109.90 -70.69 141.81 94.96 3.51 1.53 70.70 21.28 3.15 0.73 0.77 0.00 2.30 1.06 20 L C C 93.75 7.34 8.42 17.22 114.45 -128.76 -90.44 131.18 97.63 1.45 0.93 75.63 20.44 1.62 0.46 0.43 0.00 0.71 0.72 21 P C C 113.39 1.74 11.46 14.27 106.08 -122.67 -72.47 119.33 97.14 1.17 1.68 80.81 13.40 2.97 0.72 0.85 0.00 0.59 0.64 22 K C C 131.20 4.09 8.98 14.92 118.28 -100.97 -100.76 137.30 95.50 1.34 3.16 75.15 17.97 2.40 1.61 1.36 0.00 0.56 0.94 23 P C C 99.39 2.49 11.82 15.64 114.32 -106.38 -68.42 148.27 94.02 0.99 4.99 82.81 8.32 3.28 2.28 2.26 0.00 0.49 0.55 24 F C C 119.17 7.45 8.63 17.50 112.78 -105.45 -73.79 138.49 91.27 1.74 6.99 80.55 7.89 3.07 3.72 2.78 0.00 0.72 1.26 25 R C C 127.84 4.10 10.61 16.37 115.82 -137.73 -92.08 137.86 93.44 1.51 5.05 82.63 8.77 2.07 3.15 1.57 0.00 0.55 1.27 26 A C G 75.33 3.82 9.73 15.32 96.72 -120.89 -61.38 -33.44 49.83 1.26 48.91 25.65 9.16 15.43 14.87 33.63 0.00 0.65 0.61 27 R H G 178.29 1.33 11.23 12.98 95.30 59.79 -71.99 -18.75 45.18 0.71 54.11 12.60 8.69 23.66 16.31 37.98 0.02 0.36 0.40 28 D H G 88.90 4.30 10.16 16.10 99.66 57.01 -89.38 1.96 43.41 1.17 55.42 17.01 9.35 17.85 16.25 38.35 0.02 0.60 0.57 29 R C C 118.43 7.74 9.09 18.09 105.82 93.35 -86.31 61.79 65.30 1.70 33.00 41.59 12.01 11.55 16.78 16.19 0.01 0.74 1.13 30 I C C 114.01 3.62 11.52 16.57 107.39 138.41 -89.13 59.12 77.10 2.02 20.89 38.57 16.11 22.85 13.42 6.89 0.01 0.86 1.28 31 K C C 125.22 4.43 11.40 17.33 113.14 38.41 -92.57 133.14 82.40 1.43 16.17 37.51 22.44 22.88 9.80 5.86 0.00 0.59 0.92 32 K C C 134.25 3.76 12.54 17.89 115.17 -113.62 -88.34 135.36 85.61 1.78 12.62 62.24 17.57 5.43 9.95 2.97 0.00 0.71 1.13 33 P C C 69.74 9.50 9.92 20.38 111.14 -112.17 -69.63 142.80 83.85 1.98 14.17 67.61 9.06 6.36 11.98 2.96 0.00 0.90 1.12 34 K C C 104.83 5.00 12.69 18.93 114.95 -130.58 -85.36 156.70 75.78 1.57 22.65 60.52 9.42 4.68 21.57 2.30 0.00 0.56 0.95 35 K H H 149.51 1.89 13.38 16.02 93.81 -111.92 -62.51 -36.59 17.42 0.28 82.29 6.85 4.25 7.15 77.14 4.33 0.02 0.13 0.13 36 K H H 120.76 3.23 14.69 18.73 92.55 53.80 -66.16 -38.66 14.27 0.28 85.44 5.59 2.35 6.79 80.71 4.29 0.02 0.16 0.10 37 L H H 40.93 12.35 12.39 25.63 93.25 50.94 -67.11 -39.45 8.71 0.22 91.06 4.54 1.32 3.38 87.27 3.27 0.01 0.14 0.06 38 R H H 116.68 6.11 16.31 23.58 92.12 53.83 -63.76 -41.18 2.99 0.06 96.94 1.53 0.44 1.08 96.12 0.77 0.00 0.03 0.01 39 A H H 59.61 2.67 18.93 21.18 92.07 50.69 -64.46 -41.82 1.98 0.04 97.98 0.83 0.24 0.88 97.45 0.56 0.00 0.02 0.01 40 V H H 50.21 9.39 17.78 28.09 92.15 49.06 -65.55 -41.69 1.18 0.02 98.79 0.43 0.14 0.57 98.47 0.38 0.00 0.01 0.00 41 R H H 67.42 14.61 16.44 30.86 91.67 51.59 -63.50 -41.34 0.81 0.01 99.18 0.22 0.09 0.43 99.01 0.24 0.00 0.00 0.00 42 D H H 73.99 4.46 20.38 25.17 91.82 50.90 -64.68 -40.41 1.15 0.01 98.83 0.25 0.11 0.69 98.64 0.30 0.00 0.01 0.00 43 L H H 73.85 4.54 20.09 24.98 91.88 50.29 -64.78 -41.92 1.52 0.02 98.46 0.26 0.15 1.00 98.19 0.39 0.01 0.01 0.00 44 V H H 23.86 14.48 15.28 30.74 92.09 49.64 -65.44 -41.99 2.45 0.04 97.51 0.40 0.30 1.65 97.22 0.39 0.01 0.01 0.01 45 Q H H 67.91 11.39 15.24 27.15 92.14 51.23 -64.28 -40.55 3.16 0.04 96.80 0.55 0.37 2.08 96.41 0.54 0.01 0.02 0.01 46 E H H 132.76 1.97 18.10 19.86 93.54 47.92 -69.07 -38.03 5.12 0.04 94.84 0.41 0.42 4.36 94.03 0.72 0.03 0.02 0.01 47 V H H 82.63 5.66 16.79 23.14 99.73 36.94 -85.51 -38.49 11.94 0.06 88.01 0.44 0.98 10.85 86.88 0.72 0.07 0.02 0.03 48 V H H 54.32 11.11 14.25 26.07 101.62 24.50 -102.69 -14.96 23.73 0.22 76.05 1.66 5.09 17.22 75.01 0.69 0.12 0.05 0.16 49 G C C 40.44 4.70 18.23 23.80 99.82 -117.33 82.65 7.98 98.56 0.47 0.98 46.89 36.22 15.53 0.43 0.48 0.00 0.21 0.25 50 F C C 67.14 12.97 13.54 27.04 122.77 99.07 -106.84 145.94 95.90 2.51 1.59 67.68 25.39 2.30 1.05 0.48 0.00 0.74 2.36 51 S C C 32.78 9.03 17.12 27.65 119.71 -124.64 -80.89 158.88 91.91 0.32 7.77 78.66 10.13 1.87 8.50 0.49 0.00 0.09 0.25 52 P H H 62.70 8.31 18.07 27.65 92.59 -106.61 -59.88 -35.67 16.23 0.08 83.69 3.30 2.71 10.34 81.19 2.34 0.03 0.03 0.05 53 Y H H 76.09 12.86 18.66 31.56 92.35 53.62 -65.45 -38.07 9.94 0.08 89.98 1.99 1.23 6.77 87.29 2.62 0.03 0.03 0.04 54 E H H 54.18 14.54 18.27 32.56 92.65 51.59 -65.84 -40.16 3.78 0.03 96.19 1.35 0.49 1.90 94.20 2.04 0.00 0.02 0.01 55 R H H 111.87 7.46 21.13 28.98 92.11 51.78 -64.92 -41.10 1.10 0.01 98.89 0.37 0.12 0.52 98.41 0.58 0.00 0.00 0.00 56 R H H 97.41 8.74 21.87 30.83 91.93 50.17 -65.02 -41.09 0.84 0.01 99.15 0.20 0.07 0.47 98.76 0.49 0.00 0.00 0.00 57 M H H 22.86 18.20 18.44 36.53 92.31 50.34 -64.49 -42.59 0.75 0.00 99.24 0.14 0.05 0.46 98.84 0.50 0.00 0.00 0.00 58 I H H 47.41 11.55 20.56 32.68 91.51 51.32 -63.41 -42.20 0.52 0.00 99.48 0.08 0.04 0.32 99.13 0.43 0.00 0.00 0.00 59 E H H 81.94 4.74 22.72 27.56 91.64 50.84 -64.10 -41.60 0.94 0.00 99.05 0.10 0.05 0.71 98.30 0.83 0.00 0.00 0.00 60 L H H 30.05 12.60 17.93 31.75 91.78 50.75 -64.65 -41.33 1.59 0.00 98.41 0.13 0.10 1.26 96.89 1.62 0.00 0.00 0.00 61 L H H 33.01 15.50 15.54 31.35 91.99 50.77 -65.76 -38.71 4.96 0.02 95.02 0.50 0.41 3.91 92.50 2.64 0.02 0.01 0.01 62 K H H 127.00 4.11 18.83 23.64 92.27 51.99 -68.48 -34.36 16.87 0.07 83.06 1.13 1.30 14.44 80.50 2.51 0.05 0.03 0.04 63 V H H 80.46 4.87 15.99 21.79 97.72 44.87 -87.69 -17.34 45.57 0.41 54.02 3.69 7.04 34.55 51.79 2.37 0.12 0.14 0.29 64 G C T 34.61 10.09 12.24 22.82 102.78 -3.26 -19.62 5.94 76.12 0.75 23.13 22.38 15.52 38.99 16.33 5.93 0.01 0.29 0.55 65 R C T 168.89 2.59 16.06 19.43 97.18 124.77 -73.28 -8.44 80.59 0.76 18.65 28.50 23.18 29.48 10.63 7.36 0.01 0.30 0.55 66 E C C 75.19 11.07 12.66 24.35 105.42 83.68 -92.36 90.54 81.60 0.70 17.69 55.17 11.24 15.05 12.09 5.65 0.00 0.30 0.50 67 K H H 120.70 6.87 15.78 24.10 95.80 174.74 -67.78 -27.25 31.40 0.26 68.34 18.67 7.48 5.19 66.65 1.79 0.00 0.08 0.14 68 R H H 126.05 3.60 20.38 24.02 92.88 61.61 -65.35 -40.18 5.71 0.04 94.25 1.92 0.87 2.75 92.97 1.46 0.01 0.02 0.02 69 A H H 15.68 14.84 16.62 32.44 92.40 50.91 -64.49 -41.53 2.92 0.04 97.04 1.12 0.34 1.40 95.52 1.59 0.00 0.02 0.01 70 L H H 26.27 15.86 16.63 32.92 91.87 51.77 -63.48 -41.54 1.26 0.02 98.72 0.45 0.14 0.59 97.70 1.09 0.00 0.01 0.00 71 R H H 125.88 3.00 23.40 25.78 91.65 50.50 -64.17 -41.83 1.04 0.01 98.94 0.30 0.11 0.54 98.53 0.51 0.00 0.01 0.00 72 F H H 66.10 6.75 20.79 28.52 91.76 49.58 -64.11 -42.49 1.16 0.01 98.83 0.26 0.11 0.67 98.44 0.51 0.00 0.01 0.00 73 A H H 7.20 18.18 14.08 33.28 91.49 51.42 -63.72 -42.16 1.27 0.01 98.72 0.29 0.14 0.71 98.57 0.28 0.00 0.01 0.00 74 K H H 87.41 10.07 16.22 26.93 91.80 51.65 -63.71 -40.14 1.13 0.01 98.86 0.20 0.10 0.69 98.76 0.25 0.00 0.00 0.00 75 R H H 169.48 1.26 18.66 18.79 92.32 49.93 -66.47 -38.69 1.65 0.01 98.35 0.13 0.11 1.29 98.13 0.33 0.00 0.00 0.00 76 R H H 130.09 5.12 16.73 22.75 96.75 39.05 -79.83 -37.57 4.45 0.01 95.54 0.16 0.26 3.98 95.19 0.39 0.01 0.00 0.00 77 L H H 55.95 11.36 12.44 24.58 101.33 26.48 -103.30 -16.35 13.45 0.05 86.50 0.86 2.03 10.23 86.46 0.34 0.03 0.01 0.04 78 G C S 48.12 2.57 17.11 20.06 100.28 -124.36 79.61 -2.60 98.74 0.29 0.97 37.27 50.98 10.59 0.50 0.36 0.00 0.10 0.19 79 T C S 60.05 3.72 17.65 21.94 134.16 28.50 -138.84 163.16 96.92 1.11 1.97 41.76 53.17 1.88 1.64 0.34 0.00 0.24 0.97 80 H H H 102.49 9.96 13.06 23.86 92.21 -114.59 -62.22 -36.52 13.01 0.09 86.89 3.24 7.27 3.44 85.30 0.67 0.01 0.02 0.05 81 R H H 159.08 1.38 19.32 19.45 91.61 54.16 -63.38 -42.07 2.61 0.01 97.38 0.35 0.37 1.68 97.09 0.50 0.00 0.00 0.00 82 Q H H 70.45 5.22 18.41 24.70 91.94 47.72 -65.50 -40.57 1.16 0.00 98.83 0.24 0.12 0.69 98.37 0.58 0.00 0.00 0.00 83 A H H 7.10 17.45 12.43 30.99 91.02 51.87 -62.59 -42.88 0.47 0.00 99.53 0.10 0.04 0.25 99.37 0.25 0.00 0.00 0.00 84 K H H 102.88 5.24 20.45 26.24 91.56 50.77 -63.87 -41.38 0.37 0.00 99.63 0.07 0.03 0.19 99.61 0.10 0.00 0.00 0.00 85 K H H 119.38 1.77 22.31 22.21 91.63 49.56 -64.58 -41.89 0.34 0.00 99.66 0.05 0.02 0.19 99.68 0.06 0.00 0.00 0.00 86 K H H 67.10 11.50 18.51 30.40 92.22 49.28 -65.71 -40.58 0.32 0.00 99.68 0.04 0.02 0.19 99.70 0.05 0.00 0.00 0.00 87 R H H 71.77 15.05 16.97 31.64 91.65 51.91 -62.82 -41.70 0.19 0.00 99.81 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 88 D H H 84.83 2.33 22.52 23.63 91.62 50.19 -64.02 -41.38 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.02 0.00 0.00 0.00 89 I H H 82.69 3.98 21.85 25.70 91.61 48.93 -64.70 -42.13 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 90 M H H 26.00 16.26 16.77 33.60 91.82 49.84 -64.43 -41.82 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 91 T H H 49.75 8.48 19.36 28.83 91.43 50.98 -63.39 -41.32 0.22 0.00 99.78 0.03 0.01 0.13 99.81 0.03 0.00 0.00 0.00 92 E H H 102.51 2.18 22.26 22.92 91.69 50.10 -64.54 -41.43 0.16 0.00 99.84 0.02 0.00 0.10 99.86 0.02 0.00 0.00 0.00 93 V H H 41.59 8.30 19.24 28.94 91.77 49.96 -64.43 -42.99 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 94 L H H 35.24 13.21 16.78 30.82 91.86 49.85 -64.22 -41.68 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 95 R H H 125.86 3.63 19.54 23.55 91.54 50.72 -63.82 -41.40 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 96 K H H 117.22 2.49 19.28 21.37 91.80 49.78 -64.96 -41.18 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 97 M H H 66.92 8.64 16.09 25.83 92.33 49.43 -65.46 -40.95 0.32 0.00 99.68 0.03 0.02 0.21 99.68 0.07 0.00 0.00 0.00 98 R H H 114.16 6.08 16.08 23.25 91.95 50.36 -64.73 -40.08 1.13 0.00 98.86 0.12 0.07 0.77 98.85 0.18 0.00 0.00 0.00 99 A H H 63.71 2.21 15.92 18.13 92.12 51.24 -65.64 -38.65 5.37 0.01 94.62 0.53 0.40 4.04 94.53 0.48 0.00 0.00 0.00 100 A H H 62.13 3.13 14.05 18.13 92.89 52.91 -69.04 -31.51 19.26 0.06 80.69 2.13 1.92 14.71 80.16 1.00 0.02 0.02 0.03 101 A H H 59.10 5.65 11.20 18.45 96.49 55.40 -77.41 -21.94 44.10 0.36 55.55 9.76 7.64 26.98 53.28 1.96 0.03 0.12 0.23 102 H C C 123.32 3.61 9.63 14.94 104.19 76.71 -82.40 37.11 65.10 1.10 33.80 29.94 19.98 16.16 26.28 6.50 0.02 0.41 0.70 103 P C C 104.93 2.15 8.48 12.19 104.98 77.25 -79.34 87.66 73.59 1.05 25.37 43.72 10.44 19.36 17.23 8.16 0.00 0.50 0.59 104 K C C 157.55 1.69 8.28 11.43 108.20 76.46 -86.69 103.13 83.62 0.85 15.53 71.26 1.58 12.08 10.49 3.67 0.00 0.44 0.48 105 K C C 149.91 2.53 9.73 14.05 109.76 -133.77 -86.94 115.24 99.91 0.04 0.05 99.78 0.09 0.08 0.02 0.00 0.00 0.02 0.01