# 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 A C C 51.11 8.97 12.06 22.07 113.94 -126.92 -81.35 137.33 99.90 0.04 0.06 99.83 0.07 0.03 0.03 0.00 0.00 0.01 0.01 1 P C C 83.47 4.00 12.05 17.36 106.61 -110.96 -68.66 143.40 67.89 0.54 31.57 61.26 0.80 4.30 32.42 0.78 0.00 0.19 0.26 2 R H H 164.46 1.85 10.99 13.70 95.19 -97.47 -66.52 -34.81 23.24 0.36 76.41 14.43 3.63 5.30 75.24 1.12 0.00 0.13 0.15 3 V H H 88.84 3.32 11.66 16.00 93.82 52.94 -67.00 -39.18 8.20 0.13 91.67 4.65 1.15 2.39 90.80 0.91 0.00 0.06 0.04 4 A H H 50.75 4.21 12.13 17.96 92.72 52.49 -64.77 -40.41 2.61 0.03 97.35 1.38 0.35 0.92 96.68 0.65 0.00 0.02 0.01 5 A H H 55.86 2.40 14.27 17.20 92.42 51.35 -64.87 -40.85 1.01 0.01 98.98 0.41 0.12 0.43 98.67 0.36 0.00 0.01 0.00 6 F H H 110.09 2.72 14.65 17.94 92.46 50.37 -64.93 -41.78 0.52 0.00 99.47 0.16 0.05 0.26 99.34 0.19 0.00 0.00 0.00 7 L H H 76.02 5.57 13.82 20.73 92.58 50.01 -65.39 -40.92 0.48 0.00 99.52 0.13 0.05 0.26 99.43 0.14 0.00 0.00 0.00 8 K H H 114.57 3.25 15.51 19.48 92.29 51.10 -64.61 -41.04 0.70 0.00 99.29 0.13 0.05 0.45 99.18 0.17 0.00 0.00 0.00 9 N H H 91.83 1.88 16.44 17.71 92.62 48.96 -65.68 -40.17 1.55 0.01 98.44 0.19 0.10 1.19 98.21 0.30 0.00 0.00 0.00 10 V H H 64.30 4.57 14.11 20.17 92.56 49.92 -65.58 -40.71 3.04 0.01 96.95 0.31 0.22 2.31 95.65 1.49 0.01 0.00 0.00 11 W H H 110.62 7.79 12.26 21.47 92.49 51.35 -67.68 -33.63 9.06 0.02 90.91 0.69 0.52 7.33 86.50 4.91 0.01 0.01 0.01 12 A H H 74.36 2.90 13.99 17.70 92.41 56.82 -71.44 -22.07 33.57 0.06 66.37 1.33 1.57 30.08 63.48 3.45 0.03 0.02 0.04 13 K C T 148.41 1.48 14.44 15.50 98.82 51.99 -87.32 -14.94 55.44 0.19 44.37 3.75 6.86 43.26 42.88 2.99 0.03 0.07 0.15 14 E C S 92.35 6.48 10.74 18.85 115.24 45.57 -108.09 123.33 95.04 0.61 4.35 34.29 57.97 2.41 4.23 0.46 0.00 0.16 0.46 15 P C C 72.86 5.05 12.79 19.46 108.58 -121.05 -68.26 135.93 82.21 1.37 16.42 72.96 3.37 4.00 17.16 1.24 0.00 0.52 0.74 16 V H H 89.51 5.68 12.48 19.53 94.82 -140.87 -65.45 -35.43 18.26 0.63 81.11 9.27 3.84 6.30 78.31 1.75 0.02 0.27 0.24 17 L H H 101.57 2.95 14.54 18.15 93.05 54.44 -66.53 -38.65 7.08 0.29 92.64 2.83 1.09 3.47 90.64 1.69 0.02 0.18 0.07 18 V H H 78.95 3.08 15.55 19.14 92.72 49.67 -66.25 -40.91 2.49 0.08 97.43 1.02 0.33 1.18 96.17 1.23 0.01 0.05 0.01 19 A H H 45.24 5.53 14.74 21.77 92.23 51.27 -64.42 -41.37 1.08 0.02 98.90 0.36 0.12 0.53 98.29 0.68 0.00 0.01 0.00 20 S H H 47.59 5.53 15.09 22.07 92.11 50.94 -64.61 -40.61 0.91 0.01 99.08 0.22 0.08 0.52 98.71 0.47 0.00 0.00 0.00 21 F H H 117.86 2.79 17.24 20.17 92.35 50.15 -65.72 -40.48 0.86 0.00 99.14 0.15 0.06 0.55 98.84 0.40 0.00 0.00 0.00 22 A H H 54.99 3.88 16.74 21.19 92.10 50.44 -64.89 -41.52 1.19 0.01 98.80 0.18 0.08 0.81 98.51 0.42 0.00 0.00 0.00 23 I H H 83.35 5.33 16.53 22.65 92.59 48.75 -65.70 -40.96 1.51 0.01 98.48 0.19 0.11 1.09 98.08 0.53 0.00 0.00 0.00 24 A H H 53.80 4.31 15.94 21.29 91.90 51.49 -64.06 -41.01 2.63 0.01 97.36 0.25 0.16 2.05 96.26 1.27 0.00 0.00 0.00 25 G H H 37.53 2.68 16.53 19.39 91.97 50.70 -65.00 -40.27 7.00 0.01 92.99 0.40 0.32 6.21 90.54 2.51 0.01 0.01 0.01 26 L H H 85.99 3.96 15.56 20.30 92.50 50.60 -67.26 -37.16 5.07 0.02 94.91 0.46 0.35 4.02 89.27 5.87 0.01 0.01 0.01 27 A H H 49.27 6.49 12.73 20.88 92.26 56.85 -65.31 -36.02 7.58 0.06 92.36 0.72 0.51 5.74 78.81 14.13 0.03 0.04 0.03 28 V H H 103.47 1.97 15.02 17.12 93.33 51.38 -71.37 -29.01 20.25 0.08 79.67 0.76 0.91 18.08 66.45 13.64 0.06 0.04 0.05 29 I H H 114.47 2.07 14.21 16.39 95.95 49.72 -80.34 -24.49 27.62 0.21 72.17 1.58 2.73 23.05 62.18 9.99 0.22 0.10 0.16 30 L H H 81.25 6.71 10.23 18.45 100.77 77.96 -77.36 -6.76 36.62 0.91 62.48 18.08 10.00 9.09 32.56 29.41 0.03 0.41 0.42 31 P H G 86.76 4.42 11.84 17.73 94.51 71.72 -66.49 -27.86 23.17 0.54 76.29 8.44 3.18 10.86 26.93 50.09 0.01 0.34 0.15 32 T H G 104.66 1.86 12.83 15.13 95.47 56.85 -79.42 -9.00 25.36 0.73 73.91 6.25 3.98 14.33 26.22 48.47 0.05 0.42 0.27 33 L H G 110.67 3.55 11.82 16.67 101.91 57.12 -91.80 1.03 43.84 2.62 53.54 14.20 12.25 19.08 18.93 32.63 0.17 1.21 1.53 34 S C C 51.80 7.90 9.34 18.79 115.10 98.63 -99.02 122.69 93.51 2.31 4.19 53.96 35.76 3.80 2.31 1.71 0.00 0.82 1.64 35 P C T 87.68 4.36 12.73 18.55 100.83 -137.74 -69.62 -14.39 83.90 1.59 14.51 29.67 24.13 30.84 7.43 6.32 0.01 0.70 0.91 36 Y C C 134.07 5.89 11.65 18.92 104.88 56.59 -92.06 34.69 77.30 3.48 19.23 31.13 21.21 26.03 11.45 6.76 0.05 1.52 1.85 37 T C C 62.95 5.68 12.06 19.38 118.71 119.82 -89.02 156.43 67.10 3.44 29.46 47.21 14.04 6.06 25.38 3.99 0.02 1.23 2.08 38 K H H 147.34 2.05 14.10 16.57 93.64 -105.15 -62.45 -37.58 8.30 0.11 91.59 2.86 2.14 3.78 89.89 1.21 0.02 0.04 0.05 39 Y H H 135.70 2.71 15.38 18.50 92.93 51.49 -66.66 -39.66 3.80 0.06 96.14 1.02 0.56 2.21 95.13 1.02 0.01 0.03 0.02 40 S H H 30.45 9.26 12.53 23.58 92.48 51.71 -65.40 -40.33 1.90 0.03 98.07 0.71 0.23 0.89 97.31 0.82 0.00 0.02 0.01 41 L H H 71.24 5.98 14.77 22.29 92.17 51.60 -64.59 -40.87 0.92 0.02 99.06 0.29 0.10 0.45 98.68 0.46 0.00 0.01 0.00 42 M H H 98.19 2.36 17.19 19.27 92.22 50.03 -65.08 -41.16 0.82 0.02 99.15 0.21 0.07 0.46 98.78 0.45 0.00 0.02 0.00 43 I H H 72.24 5.46 15.24 22.02 92.44 49.08 -65.95 -40.70 1.15 0.02 98.83 0.21 0.09 0.73 98.41 0.53 0.00 0.01 0.00 44 N H H 58.25 10.40 12.27 23.71 92.49 51.84 -67.04 -35.03 3.73 0.02 96.25 0.46 0.27 2.81 95.51 0.93 0.00 0.01 0.01 45 R H H 159.17 2.57 15.27 18.65 92.63 54.21 -69.54 -28.51 13.06 0.03 86.91 0.52 0.61 12.08 85.63 1.12 0.02 0.01 0.01 46 A H H 78.44 2.21 14.33 16.65 96.08 47.55 -82.69 -15.62 24.52 0.07 75.41 1.08 2.31 21.13 74.49 0.88 0.05 0.02 0.05 47 T C S 54.65 8.15 9.98 19.80 118.78 57.94 -118.13 121.77 98.13 1.21 0.65 37.10 60.21 0.84 0.45 0.17 0.00 0.34 0.90 48 P C T 91.22 4.39 12.91 18.80 96.73 -142.89 -67.51 -14.78 81.06 1.82 17.11 25.88 11.49 42.60 1.37 16.96 0.00 1.08 0.61 49 Y C T 129.99 7.06 12.07 20.28 107.45 68.94 -94.27 67.00 79.52 4.49 16.00 18.19 15.44 45.34 1.26 15.66 0.01 2.73 1.37 50 N C C 96.99 5.35 14.56 21.33 112.79 106.29 -100.37 110.80 77.64 6.71 15.65 45.23 18.18 12.97 1.76 15.31 0.00 3.65 2.91 51 Y C C 93.38 11.25 10.35 22.38 116.39 -148.95 -102.04 125.54 91.45 7.57 0.98 64.91 23.80 2.54 0.34 0.70 0.00 3.67 4.04 52 P C S 89.99 4.54 14.78 20.52 96.99 -147.81 -73.03 -11.78 96.02 3.29 0.69 45.09 46.58 4.73 0.18 0.49 0.00 1.74 1.18 53 V C S 73.58 7.37 10.15 19.19 120.22 78.59 -108.49 135.52 92.53 5.85 1.62 32.85 55.57 4.47 0.59 0.85 0.00 2.74 2.92 54 P C C 84.07 4.33 12.31 18.20 112.71 -109.08 -66.50 148.69 91.05 4.62 4.34 71.73 12.15 6.88 1.25 3.16 0.00 2.68 2.15 55 L C C 115.72 4.35 9.84 16.11 113.28 -122.27 -88.40 133.83 80.19 9.78 10.03 52.39 16.52 10.75 3.16 6.89 0.02 4.67 5.61 56 R C C 152.86 3.77 9.86 15.43 112.70 -144.24 -92.51 132.10 79.49 9.65 10.85 46.15 18.17 15.14 2.85 7.94 0.02 4.87 4.86 57 D C C 96.90 4.25 9.33 15.30 109.01 -153.30 -93.04 103.50 82.66 7.40 9.94 46.24 18.61 17.67 2.12 7.85 0.01 3.52 3.96 58 D C T 105.25 3.23 10.49 15.28 100.06 -163.52 -88.63 8.83 87.23 3.00 9.78 29.18 20.09 37.99 1.61 8.01 0.01 1.40 1.71 59 G C T 50.45 4.10 10.56 16.23 100.51 -108.20 79.46 5.31 91.13 1.42 7.46 18.99 26.43 45.15 0.89 7.04 0.00 0.70 0.80 60 N C C 114.70 2.30 11.21 14.74 102.39 99.94 -90.73 14.95 90.24 3.97 5.80 35.54 33.29 21.08 0.77 5.35 0.00 1.77 2.20 61 M C C 89.52 7.04 8.49 17.06 111.77 87.38 -100.73 107.58 92.29 6.58 1.13 62.07 27.31 2.48 0.30 0.91 0.00 2.57 4.37 62 P C T 91.17 4.02 11.41 17.12 103.71 -144.46 -69.02 73.03 94.27 3.01 2.72 29.95 14.51 49.82 0.38 2.49 0.00 1.79 1.06 63 D C T 118.31 2.07 12.81 15.84 100.90 39.84 -90.17 14.03 95.17 2.67 2.16 23.30 20.00 51.85 0.26 2.13 0.00 1.64 0.81 64 V C C 74.30 7.57 10.06 19.38 118.92 114.45 -103.60 133.27 92.50 6.70 0.80 45.46 45.31 2.00 0.23 0.54 0.00 2.70 3.76 65 P C C 72.47 6.43 12.06 20.23 114.21 -107.05 -67.58 149.91 93.84 5.00 1.15 80.60 8.59 4.15 0.27 1.01 0.00 2.54 2.84 66 S C C 77.38 4.82 12.37 18.79 104.67 -127.26 -81.70 23.09 95.11 3.59 1.29 53.02 36.88 5.02 0.30 1.03 0.00 1.43 2.31 67 H C C 105.55 5.79 11.80 19.18 117.24 -115.06 -106.09 128.72 95.41 3.17 1.42 59.17 31.31 4.49 0.27 1.21 0.00 1.12 2.42 68 P C T 77.71 7.22 10.34 19.07 105.57 -122.48 -67.51 108.81 95.82 0.84 3.34 31.05 14.50 49.77 0.34 3.50 0.00 0.44 0.41 69 Q C T 139.58 2.04 12.29 15.32 100.60 -81.63 -86.53 -2.87 94.72 1.67 3.60 24.74 20.74 48.88 0.42 3.59 0.00 0.83 0.81 70 D C C 76.92 5.37 10.47 17.72 112.89 89.82 -95.43 122.56 96.19 2.87 0.94 54.18 39.66 2.10 0.27 0.63 0.00 0.92 2.25 71 P C T 98.38 4.45 11.06 17.43 98.55 -147.04 -67.42 -11.42 96.68 1.01 2.31 34.48 24.09 38.04 0.36 2.05 0.00 0.51 0.47 72 Q C T 125.17 3.32 12.55 17.10 103.11 69.94 -90.90 5.03 89.09 7.19 3.72 32.19 25.08 32.44 0.85 2.73 0.01 3.25 3.43 73 G C S 27.75 7.66 13.05 22.10 128.65 -118.52 120.60 -171.71 91.34 6.43 2.24 35.83 51.33 4.44 0.92 1.15 0.00 2.73 3.59 74 P C C 76.94 6.32 15.28 22.55 108.49 -38.45 -70.47 138.59 90.23 3.23 6.54 56.96 23.88 9.62 3.69 2.61 0.00 1.45 1.80 75 S C C 44.41 8.64 14.27 24.18 115.81 -125.53 -86.86 149.33 79.27 3.46 17.28 63.46 9.53 5.24 15.39 2.59 0.00 1.15 2.64 76 L H H 72.85 9.37 12.29 22.80 95.08 -124.74 -67.03 -26.74 16.46 0.36 83.18 9.04 3.40 5.61 75.05 6.52 0.02 0.19 0.17 77 E H H 109.90 2.39 15.43 18.14 92.45 69.17 -63.58 -38.16 5.91 0.11 93.98 1.74 0.83 3.28 83.10 10.91 0.02 0.08 0.03 78 W H H 95.86 6.33 12.15 20.46 92.46 53.41 -65.13 -39.57 3.60 0.06 96.34 0.88 0.43 2.10 83.56 12.97 0.00 0.04 0.01 79 L H H 66.24 9.35 10.30 20.81 92.97 52.76 -67.49 -35.04 4.73 0.05 95.22 1.12 0.58 2.77 82.77 12.70 0.01 0.03 0.02 80 K H H 138.21 2.59 11.72 15.63 92.92 56.50 -68.03 -29.01 24.73 0.20 75.06 2.98 2.24 19.05 65.93 9.52 0.06 0.10 0.13 81 R C H 171.00 1.39 11.96 13.60 96.46 52.89 -82.65 -8.88 53.52 0.20 46.28 13.51 1.28 38.38 41.85 4.74 0.00 0.07 0.16 82 L C C 87.54 8.83 9.80 19.47 101.21 92.89 -73.70 13.07 99.73 0.03 0.24 99.09 0.24 0.41 0.22 0.01 0.00 0.01 0.01