# 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 G C C 39.98 6.35 14.14 21.51 113.99 -138.99 83.36 -49.68 99.81 0.07 0.13 99.48 0.21 0.18 0.08 0.01 0.00 0.03 0.02 1 K C C 142.95 3.09 12.21 16.61 105.68 -61.49 -82.24 31.43 60.95 1.41 37.64 51.33 2.38 7.66 33.27 3.98 0.00 0.70 0.68 2 A C H 66.42 5.65 9.78 16.88 104.50 71.19 -78.77 -5.71 50.02 1.64 48.34 31.83 8.92 10.40 40.40 6.90 0.02 0.86 0.66 3 K H H 131.13 4.59 11.71 17.79 101.61 59.27 -78.11 -9.34 42.62 1.79 55.59 28.16 7.66 8.27 46.37 7.90 0.02 1.00 0.62 4 T H H 85.70 5.54 11.86 18.77 101.70 65.56 -81.93 -4.96 40.12 1.82 58.06 26.94 7.28 7.53 49.84 6.77 0.02 1.04 0.59 5 K H H 131.05 4.30 13.60 19.29 105.00 67.94 -86.21 31.13 44.56 2.24 53.20 28.55 8.52 8.78 47.17 4.98 0.03 1.28 0.70 6 A C H 59.43 8.37 13.05 22.47 109.40 71.17 -83.99 134.33 52.88 3.20 43.92 35.47 9.35 8.32 40.17 3.86 0.02 1.85 0.96 7 V C C 54.92 12.31 12.65 25.60 116.51 -131.00 -97.49 134.95 62.64 3.83 33.54 46.49 9.82 5.32 32.75 2.35 0.01 2.09 1.17 8 S C C 48.68 6.45 17.01 24.49 116.68 -130.63 -83.08 156.64 63.55 3.43 33.02 51.69 6.32 4.62 32.05 2.33 0.00 1.82 1.17 9 R H H 119.74 9.56 14.66 24.96 94.36 -112.58 -63.64 -34.92 23.99 1.15 74.86 10.11 5.32 10.25 63.32 9.79 0.11 0.70 0.39 10 S H H 50.47 9.33 14.59 24.84 93.39 56.61 -66.87 -35.52 23.64 1.22 75.14 9.00 4.35 11.11 61.96 12.28 0.12 0.80 0.39 11 Q H H 102.07 6.42 15.89 23.30 93.88 51.30 -69.14 -34.98 23.21 1.61 75.18 9.87 4.66 9.79 60.47 13.53 0.12 1.04 0.51 12 R H H 121.80 8.50 15.54 24.70 95.60 53.15 -74.52 -27.25 31.19 2.07 66.74 11.30 6.88 15.19 55.48 8.87 0.25 1.18 0.85 13 A C T 45.42 11.29 15.11 26.85 96.33 55.65 -79.39 -9.34 64.26 1.15 34.58 8.86 10.00 44.36 28.76 6.59 0.13 0.58 0.72 14 G C T 44.86 6.03 19.84 26.28 98.54 -105.41 80.77 7.18 90.97 1.07 7.95 20.83 12.72 57.99 4.41 2.97 0.00 0.63 0.44 15 L C C 36.44 18.73 12.91 31.00 112.12 127.04 -88.69 122.93 88.28 6.66 5.05 73.88 8.07 6.10 2.55 2.40 0.00 4.27 2.73 16 Q C C 108.71 6.84 21.45 28.90 108.94 -164.49 -101.04 91.19 84.68 11.76 3.56 61.48 18.74 4.12 2.45 1.39 0.01 6.97 4.84 17 F C C 36.91 19.63 15.24 34.30 118.03 144.33 -102.53 129.99 90.03 8.03 1.93 53.42 36.14 1.37 1.82 0.43 0.00 4.87 1.95 18 P C C 50.67 8.70 23.42 32.68 108.49 -108.58 -69.37 131.17 90.10 6.66 3.24 86.90 2.33 1.18 2.89 0.49 0.00 3.87 2.34 19 V H H 30.30 20.79 15.75 35.61 94.18 -141.31 -62.84 -37.15 9.24 0.16 90.60 3.73 1.68 4.46 87.84 2.12 0.02 0.08 0.07 20 G H H 30.84 6.36 21.35 28.54 91.67 57.18 -62.17 -39.98 4.92 0.08 95.00 1.10 0.66 3.26 92.44 2.43 0.02 0.05 0.02 21 R H H 100.10 6.78 22.71 29.70 92.07 50.60 -66.00 -39.85 2.36 0.09 97.55 0.79 0.35 1.33 95.24 2.20 0.01 0.07 0.01 22 I H H 6.25 23.11 17.20 40.43 91.77 51.07 -64.13 -43.40 1.17 0.04 98.79 0.37 0.16 0.62 98.00 0.82 0.00 0.02 0.00 23 H H H 53.41 15.59 19.93 34.94 91.63 51.68 -62.37 -41.86 1.10 0.02 98.88 0.25 0.11 0.65 98.35 0.62 0.00 0.01 0.00 24 R H H 132.92 2.49 23.90 25.48 91.67 50.94 -64.03 -41.52 1.82 0.02 98.16 0.26 0.15 1.30 97.35 0.92 0.00 0.01 0.00 25 H H H 55.82 10.91 20.12 31.69 92.13 49.46 -65.22 -40.86 3.18 0.04 96.78 0.50 0.31 2.27 95.61 1.27 0.01 0.02 0.01 26 L H H 10.69 22.02 14.40 36.20 92.32 50.94 -65.70 -39.59 5.91 0.12 93.98 1.31 0.75 3.86 91.88 2.08 0.03 0.06 0.03 27 K H H 110.32 7.77 18.38 26.84 92.94 54.02 -66.74 -33.46 15.87 0.26 83.87 2.89 1.95 11.33 80.64 2.87 0.08 0.14 0.11 28 S H H 71.72 3.02 18.23 21.26 95.81 54.81 -79.13 -18.49 33.42 0.56 66.03 6.52 5.28 22.70 61.54 3.27 0.13 0.25 0.31 29 R C H 107.56 10.23 13.72 24.41 102.96 63.55 -88.59 3.03 52.71 2.10 45.19 20.34 14.17 20.32 39.34 3.78 0.13 0.87 1.05 30 T C C 60.23 10.24 12.07 23.05 107.09 95.39 -91.50 48.88 63.97 6.63 29.40 37.91 14.03 12.32 25.40 3.78 0.10 2.72 3.73 31 T C C 82.87 5.60 12.46 19.40 101.43 -147.15 -81.69 -26.47 63.21 4.31 32.48 29.30 14.22 21.45 21.84 8.80 0.17 1.97 2.24 32 S C T 88.31 1.96 13.60 16.07 97.48 33.16 -75.99 -21.68 68.54 1.65 29.81 14.23 15.89 38.60 18.24 11.08 0.11 0.77 1.06 33 H C T 121.30 4.88 13.54 19.49 99.81 39.17 -92.99 2.65 74.58 1.01 24.41 12.16 16.74 45.71 13.79 10.28 0.04 0.47 0.81 34 G C C 39.09 7.20 15.40 23.52 100.72 -106.41 81.75 8.72 87.83 2.94 9.23 30.39 29.10 29.41 4.05 4.25 0.01 1.46 1.32 35 R C C 116.54 8.52 18.84 27.99 121.14 105.15 -104.22 140.63 84.84 9.81 5.35 65.02 14.18 5.03 3.70 1.91 0.01 4.97 5.19 36 V C C 23.71 20.79 14.51 34.72 118.17 -145.31 -104.45 131.17 82.41 12.06 5.54 69.53 9.21 2.35 5.01 1.14 0.01 4.86 7.90 37 G C C 23.65 9.16 23.28 32.60 125.19 -143.48 -86.21 165.72 78.89 2.07 19.04 67.19 7.01 2.56 20.60 0.89 0.00 0.80 0.95 38 A H H 48.43 14.26 19.29 32.97 92.22 -91.17 -61.61 -36.83 8.02 0.09 91.90 2.07 1.56 4.55 90.74 1.00 0.02 0.03 0.04 39 T H H 70.51 6.87 25.52 32.50 91.73 52.91 -64.69 -39.86 4.19 0.05 95.76 1.26 0.56 2.34 95.00 0.80 0.00 0.02 0.02 40 A H H 11.36 18.11 21.70 39.75 91.82 51.79 -64.57 -41.78 0.90 0.01 99.09 0.35 0.10 0.38 98.79 0.37 0.00 0.00 0.00 41 A H H 7.03 22.75 21.25 43.41 91.78 51.63 -64.10 -42.59 0.36 0.00 99.63 0.12 0.03 0.17 99.56 0.12 0.00 0.00 0.00 42 V H H 54.17 10.84 26.94 38.02 91.71 50.13 -64.11 -42.67 0.20 0.00 99.80 0.05 0.01 0.10 99.78 0.05 0.00 0.00 0.00 43 Y H H 75.37 11.16 27.82 39.33 91.54 49.03 -63.78 -42.74 0.22 0.00 99.77 0.06 0.01 0.11 99.78 0.03 0.00 0.00 0.00 44 S H H 5.57 23.10 24.07 46.43 91.49 50.02 -63.92 -42.76 0.22 0.00 99.78 0.04 0.01 0.12 99.80 0.02 0.00 0.00 0.00 45 A H H 13.97 18.40 24.45 42.41 91.31 51.39 -63.11 -41.91 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 46 A H H 37.62 7.79 27.40 35.90 91.42 51.02 -63.86 -41.82 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 47 I H H 23.37 17.62 24.73 41.94 91.69 49.83 -64.56 -42.99 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 48 L H H 7.20 24.11 21.78 45.30 91.35 50.97 -63.28 -41.97 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 E H H 82.49 10.80 25.07 35.78 91.44 51.56 -63.38 -41.16 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 50 Y H H 94.32 7.96 25.91 34.07 91.82 49.54 -65.03 -41.75 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 51 L H H 12.15 21.02 21.80 42.35 91.47 49.28 -64.56 -42.38 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 52 T H H 21.64 19.22 21.75 40.00 91.43 51.40 -63.33 -41.90 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 53 A H H 47.42 5.63 24.95 30.81 91.48 51.02 -63.91 -41.47 0.23 0.00 99.77 0.02 0.01 0.17 99.76 0.05 0.00 0.00 0.00 54 E H H 64.06 10.24 24.25 34.67 91.75 49.49 -65.12 -41.75 0.39 0.00 99.61 0.03 0.02 0.28 99.57 0.10 0.00 0.00 0.00 55 V H H 5.60 23.90 19.28 43.05 91.36 50.17 -64.06 -43.00 0.59 0.00 99.40 0.07 0.04 0.40 99.32 0.17 0.00 0.00 0.00 56 L H H 52.55 13.86 21.86 35.29 91.46 50.80 -63.59 -41.33 1.29 0.02 98.69 0.21 0.10 0.87 98.29 0.52 0.00 0.01 0.00 57 E H H 113.34 3.13 25.21 28.00 91.77 50.57 -64.52 -40.54 4.70 0.04 95.25 0.55 0.33 3.66 94.32 1.08 0.01 0.02 0.01 58 L H H 38.55 14.49 20.06 34.55 92.25 48.75 -67.74 -36.71 10.93 0.09 88.97 1.18 0.90 8.79 87.56 1.46 0.04 0.05 0.04 59 A H H 16.19 19.52 16.25 35.22 93.81 55.61 -70.69 -30.01 32.18 0.49 67.33 4.36 3.72 24.41 64.22 2.66 0.14 0.21 0.27 60 G C T 38.37 7.85 20.19 28.13 98.94 56.87 -64.29 -29.98 63.18 1.20 35.62 10.95 9.08 42.51 32.18 4.02 0.07 0.54 0.64 61 N C C 86.15 7.00 18.32 25.78 101.06 50.54 -86.69 13.35 70.90 3.53 25.57 36.29 14.99 20.24 19.26 5.76 0.05 1.59 1.83 62 A C C 41.80 12.22 13.35 25.96 100.60 107.88 -77.36 -14.75 64.56 4.09 31.35 32.85 13.38 19.12 19.76 10.74 0.09 2.01 2.04 63 S C C 52.00 8.77 13.16 22.96 102.66 76.37 -79.10 -9.06 64.85 3.28 31.87 32.59 12.58 20.62 18.84 12.02 0.06 1.60 1.70 64 K C T 144.73 3.09 14.14 18.41 96.77 72.56 -72.15 -21.28 62.85 1.90 35.24 18.24 16.12 29.24 19.81 14.40 0.12 0.86 1.21 65 D C T 97.38 3.74 13.82 18.61 99.73 56.84 -84.65 -1.42 67.01 1.57 31.42 22.17 15.75 29.87 17.81 12.66 0.06 0.68 1.00 66 L C C 75.78 11.83 10.24 22.12 101.85 97.41 -75.83 24.59 70.87 2.49 26.64 29.74 18.92 23.19 14.87 10.72 0.04 1.12 1.40 67 K C C 150.31 2.25 16.84 19.50 98.49 108.79 -78.90 -7.36 76.04 4.36 19.60 39.98 16.05 20.47 10.91 8.34 0.03 2.40 1.80 68 V C C 47.26 13.82 10.06 24.05 116.90 99.86 -98.68 131.51 78.78 6.39 14.83 58.82 11.95 7.39 9.18 6.10 0.02 3.70 2.85 69 K C C 143.76 3.53 17.57 22.23 100.33 -163.17 -88.03 -18.84 82.87 5.06 12.07 48.58 25.28 9.49 6.49 5.43 0.01 3.17 1.54 70 R C C 122.95 5.62 20.94 27.38 130.82 33.21 -131.88 148.47 76.09 12.68 11.23 42.90 24.64 9.34 5.47 5.80 0.05 8.34 3.47 71 I C C 16.91 23.19 12.63 35.78 112.11 -124.26 -89.91 123.04 82.16 13.68 4.16 68.04 10.93 1.90 2.57 1.97 0.00 6.09 8.49 72 T C C 47.67 6.99 24.61 31.76 127.37 -168.37 -104.28 161.10 98.39 0.71 0.89 93.93 4.31 0.20 0.91 0.07 0.00 0.26 0.32 73 P H H 46.42 16.39 15.75 31.94 91.27 -106.27 -58.07 -37.36 5.21 0.03 94.77 0.93 0.62 3.44 93.61 1.36 0.01 0.01 0.01 74 R H H 135.70 3.97 22.57 27.05 91.51 55.38 -63.65 -38.91 2.38 0.01 97.61 0.32 0.19 1.68 96.55 1.24 0.00 0.01 0.00 75 H H H 44.21 14.26 20.15 34.46 92.09 50.04 -65.70 -40.74 0.83 0.01 99.16 0.18 0.08 0.48 97.87 1.38 0.00 0.00 0.00 76 L H H 5.74 24.40 17.61 41.92 91.45 50.32 -64.13 -42.42 0.50 0.00 99.49 0.10 0.04 0.28 98.67 0.90 0.00 0.00 0.00 77 Q H H 69.81 12.73 22.36 34.56 91.25 51.56 -62.65 -41.40 0.99 0.00 99.00 0.12 0.06 0.73 97.88 1.21 0.00 0.00 0.00 78 L H H 65.07 6.45 24.29 31.04 91.58 50.78 -64.33 -40.94 2.32 0.01 97.67 0.15 0.12 2.00 95.83 1.88 0.00 0.00 0.00 79 A H H 13.23 17.12 19.31 36.75 91.66 51.79 -65.55 -35.55 9.46 0.04 90.50 0.50 0.54 8.51 88.40 1.98 0.03 0.02 0.02 80 I H H 15.77 20.77 16.42 37.05 95.27 44.81 -87.82 -13.82 32.47 0.38 67.15 2.15 2.46 27.75 64.24 2.78 0.18 0.17 0.27 81 R C T 132.32 8.50 17.82 27.49 106.99 108.08 -62.10 121.00 76.24 0.25 23.51 1.49 2.24 70.97 23.27 1.69 0.02 0.10 0.22 82 G C T 57.92 2.40 18.60 20.99 95.45 14.33 83.73 -0.49 91.30 0.10 8.60 2.49 4.60 84.33 7.11 1.35 0.00 0.05 0.07 83 D C C 44.41 14.06 10.41 24.75 108.35 118.25 -90.78 108.10 98.99 0.33 0.69 95.59 3.10 0.35 0.47 0.12 0.00 0.10 0.27 84 E H H 141.65 2.05 16.30 19.37 93.45 -165.79 -65.41 -34.17 17.75 0.11 82.14 2.13 2.51 12.48 70.87 11.85 0.05 0.05 0.07 85 E H H 112.22 4.02 17.96 22.78 92.18 54.70 -65.74 -39.07 14.81 0.10 85.09 1.31 1.42 11.42 73.66 12.01 0.07 0.06 0.05 86 L H H 12.11 20.71 12.92 33.46 93.04 47.93 -68.22 -38.87 8.38 0.13 91.49 1.49 0.95 5.50 78.17 13.73 0.03 0.09 0.03 87 D H H 55.44 12.37 16.34 29.01 91.94 57.50 -63.18 -36.89 8.14 0.17 91.69 2.16 1.05 4.69 79.67 12.24 0.02 0.12 0.04 88 S H H 67.03 2.66 21.22 23.18 92.01 56.23 -66.59 -33.14 24.75 0.23 75.02 2.23 1.83 19.68 63.97 11.94 0.10 0.14 0.11 89 L H H 47.34 13.42 17.86 31.49 92.63 53.33 -68.70 -34.70 30.69 0.64 68.67 4.81 4.23 21.44 59.66 9.03 0.17 0.38 0.28 90 I H H 23.64 20.82 14.79 34.64 97.25 56.43 -73.89 -30.07 44.00 11.72 44.29 28.34 9.37 8.29 39.19 4.24 0.16 7.19 3.23 91 K C C 117.14 6.30 20.38 27.23 95.93 64.50 -69.17 -27.28 56.36 13.77 29.87 43.30 4.46 6.59 28.23 3.33 0.02 12.15 1.93 92 A C C 51.43 9.99 15.77 26.18 98.66 70.93 -73.67 -26.76 49.09 19.45 31.46 36.06 5.98 5.57 27.95 4.42 0.06 18.00 1.97 93 T C C 67.42 9.57 17.21 27.03 101.72 62.74 -85.71 -21.60 40.39 31.24 28.37 29.03 5.10 4.99 24.92 4.57 0.09 28.31 2.98 94 I C E 66.82 13.48 14.14 27.31 103.05 65.96 -83.33 -12.26 37.95 33.38 28.67 25.22 6.30 6.38 24.04 5.56 0.22 28.22 4.05 95 A C T 65.37 7.38 15.39 23.63 103.77 62.97 -73.23 58.61 52.90 20.96 26.14 20.69 9.90 23.13 18.21 8.05 0.36 16.67 2.98 96 G C T 50.94 5.05 16.33 22.28 101.40 9.16 73.96 2.67 73.32 7.60 19.07 18.60 14.47 41.06 10.12 8.33 0.14 5.47 1.82 97 G C T 39.09 9.53 15.71 25.48 106.71 -54.55 76.10 7.56 75.44 10.14 14.42 27.48 19.28 30.26 6.38 7.17 0.07 7.13 2.22 98 G C C 33.41 10.57 16.79 27.51 114.51 -109.22 96.11 163.60 67.14 22.73 10.14 34.67 18.71 15.14 5.57 4.56 0.08 18.09 3.17 99 V C C 60.07 13.00 17.08 30.09 117.56 -117.90 -101.60 133.34 48.24 38.66 13.09 31.49 11.44 4.34 10.76 3.39 0.25 24.24 14.09 100 I C C 50.44 14.35 16.61 31.18 112.53 -149.40 -96.51 121.32 68.08 12.80 19.12 56.61 7.08 3.07 17.97 2.45 0.01 10.85 1.96 101 P H H 57.24 11.05 17.09 28.71 101.01 -130.09 -64.47 -19.18 44.78 7.80 47.42 23.08 6.48 15.14 40.35 6.80 0.10 6.98 1.09 102 H H H 107.43 7.03 18.85 26.29 96.14 52.01 -69.02 -22.13 37.47 6.11 56.42 18.78 6.02 13.94 47.01 7.94 0.13 5.08 1.11 103 I H H 47.95 12.85 16.92 30.24 94.25 69.20 -68.57 -38.16 27.53 5.29 67.18 17.28 5.22 7.48 56.08 8.60 0.10 4.24 1.00 104 H H H 49.38 15.65 15.86 31.23 93.68 54.16 -66.54 -39.09 22.06 3.94 73.99 14.05 4.12 6.40 63.46 7.91 0.10 3.17 0.79 105 K H H 100.07 7.78 17.30 25.85 92.67 53.94 -65.21 -39.60 16.70 2.23 81.08 7.43 3.30 7.49 67.72 11.60 0.20 1.76 0.51 106 S H H 59.16 5.21 17.34 23.23 93.06 50.64 -67.86 -38.41 18.92 1.50 79.58 6.08 3.10 10.45 66.10 12.53 0.21 1.11 0.41 107 L H H 58.38 12.76 15.01 27.90 93.70 48.57 -71.82 -34.74 28.28 1.65 70.06 6.28 5.00 18.04 57.75 10.73 0.52 1.04 0.66 108 I C H 60.13 12.81 13.49 26.57 98.32 42.93 -88.96 -8.37 54.04 2.20 43.76 7.21 11.30 35.92 36.98 5.77 0.54 1.03 1.25 109 G C T 51.94 3.46 14.95 19.39 99.80 -106.60 79.00 13.02 83.87 1.98 14.15 25.01 14.91 44.81 9.79 3.63 0.02 1.00 0.83 110 K C C 118.74 6.01 10.96 18.64 111.33 128.58 -90.26 115.52 84.08 3.89 12.03 53.05 15.75 15.41 7.11 4.79 0.00 2.15 1.73 111 K C C 151.69 2.59 12.07 16.40 113.23 -136.48 -97.95 129.38 90.76 2.77 6.47 78.65 2.37 10.53 3.62 1.96 0.00 1.60 1.28 112 G C C 44.97 5.43 13.57 20.47 118.75 18.61 100.54 -173.61 99.85 0.11 0.03 99.61 0.19 0.11 0.01 0.00 0.00 0.06 0.02