# 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 122.95 4.39 11.71 17.87 116.63 -165.28 -98.95 131.91 99.88 0.10 0.02 99.72 0.14 0.06 0.01 0.00 0.00 0.05 0.02 1 G C C 48.69 3.94 9.65 15.32 118.01 -150.82 -102.59 168.11 95.03 0.88 4.09 88.17 1.62 5.98 1.61 1.68 0.00 0.47 0.47 2 S C C 85.29 2.53 8.90 13.03 109.93 -127.45 -89.85 123.06 84.56 1.27 14.17 55.68 13.05 15.90 5.54 8.45 0.00 0.63 0.75 3 S C C 82.53 2.61 8.83 13.06 109.27 -148.23 -90.75 99.06 74.18 1.35 24.48 42.07 15.13 17.01 10.26 14.08 0.00 0.62 0.82 4 H C C 132.98 3.35 9.07 14.10 107.89 87.54 -89.28 71.50 65.75 1.45 32.80 38.42 13.16 14.00 15.90 16.98 0.01 0.66 0.86 5 H C C 125.91 3.98 9.53 15.17 108.42 89.66 -90.84 87.42 64.16 1.71 34.12 41.50 10.93 11.60 18.57 15.65 0.01 0.82 0.93 6 H C C 125.68 3.99 10.05 15.63 109.04 57.20 -91.25 97.94 65.62 1.89 32.48 43.81 10.50 11.26 19.05 13.44 0.01 0.94 0.99 7 H C C 125.93 3.90 10.30 15.76 109.90 54.81 -91.58 110.29 68.67 2.08 29.26 44.82 11.37 12.41 17.95 11.30 0.01 1.03 1.11 8 H C C 123.45 4.42 10.19 16.20 108.91 55.85 -91.39 96.44 73.42 2.33 24.25 48.92 11.85 12.48 15.17 9.15 0.01 1.15 1.28 9 H C C 127.55 4.32 9.82 15.81 107.34 65.01 -90.15 60.08 77.10 2.26 20.64 48.51 13.50 14.99 12.23 8.39 0.00 1.13 1.24 10 S C C 80.10 3.39 10.05 15.01 105.29 101.34 -89.96 35.27 80.51 2.08 17.41 48.66 14.17 17.72 8.12 9.13 0.00 1.02 1.18 11 S C T 83.41 2.75 10.29 14.51 105.96 76.94 -89.36 33.94 85.22 1.43 13.35 32.12 18.42 35.46 4.21 8.32 0.00 0.68 0.78 12 G C C 50.34 3.59 11.02 16.21 112.41 -85.93 98.13 167.07 90.28 1.88 7.85 35.93 21.98 32.76 1.74 5.82 0.00 0.97 0.79 13 L C C 113.66 4.18 10.52 16.42 114.21 -100.69 -93.06 130.79 89.60 5.84 4.57 61.71 20.58 6.87 1.47 3.23 0.00 2.89 3.24 14 V C C 83.52 6.76 10.12 18.62 117.68 -151.09 -101.16 131.33 94.27 4.63 1.09 68.38 24.88 1.38 0.60 0.48 0.00 2.53 1.76 15 P C C 83.95 4.98 11.11 17.96 113.00 -110.54 -68.26 145.26 93.69 2.66 3.66 82.36 6.84 4.67 1.78 1.63 0.00 1.76 0.96 16 R C C 169.05 3.08 10.54 15.52 110.69 -132.34 -88.26 122.79 82.51 2.10 15.39 49.04 14.82 18.91 8.13 6.89 0.00 1.06 1.15 17 G C C 52.38 2.72 11.71 15.62 113.30 26.03 104.21 -171.81 74.24 1.26 24.50 33.29 18.62 22.97 12.40 11.36 0.01 0.56 0.79 18 S C C 80.81 3.16 11.44 15.99 105.68 -63.04 -85.03 39.82 62.92 1.43 35.66 31.88 14.10 17.19 20.25 15.12 0.02 0.65 0.79 19 H C C 121.47 5.03 11.12 17.65 108.62 61.90 -88.13 104.01 58.07 2.84 39.09 34.43 10.42 13.40 25.74 13.20 0.03 1.44 1.33 20 M C C 97.82 7.72 11.99 20.82 108.99 86.37 -88.47 99.49 54.05 2.89 43.05 37.07 10.16 7.80 35.36 6.90 0.02 1.42 1.27 21 N C H 82.31 6.61 14.18 21.87 109.45 89.57 -84.97 128.32 52.67 1.80 45.52 39.34 6.89 6.73 41.55 3.87 0.01 0.91 0.70 22 K H H 120.28 5.58 16.42 22.91 96.03 -124.48 -69.19 -30.34 32.32 0.76 66.91 17.52 7.28 8.62 63.15 2.75 0.02 0.37 0.29 23 N H H 68.39 11.06 17.06 28.14 94.18 55.62 -67.99 -38.27 23.56 0.40 76.05 12.04 4.99 7.15 73.69 1.78 0.01 0.18 0.15 24 I H H 62.14 11.05 17.45 28.90 93.03 52.08 -66.52 -40.58 6.47 0.13 93.40 3.26 1.24 2.30 92.22 0.87 0.00 0.06 0.05 25 D H H 68.36 5.55 21.06 26.99 92.38 52.08 -65.43 -40.91 3.26 0.07 96.67 1.78 0.48 1.26 95.88 0.55 0.00 0.04 0.02 26 T H H 35.08 12.14 20.03 32.63 92.05 50.16 -64.58 -42.68 1.97 0.05 97.98 0.78 0.25 0.97 97.56 0.40 0.00 0.03 0.01 27 V H H 26.92 17.12 19.54 36.30 91.96 50.24 -63.95 -42.45 0.88 0.01 99.11 0.30 0.10 0.44 98.97 0.19 0.00 0.00 0.00 28 R H H 110.05 8.03 23.13 31.25 91.81 51.31 -63.74 -41.30 0.52 0.00 99.48 0.15 0.05 0.27 99.45 0.07 0.00 0.00 0.00 29 E H H 73.43 8.72 23.37 32.30 91.88 50.49 -64.70 -41.39 0.39 0.00 99.61 0.10 0.03 0.21 99.61 0.04 0.00 0.00 0.00 30 I H H 19.21 19.91 20.96 40.22 91.98 49.60 -64.71 -43.16 0.12 0.00 99.88 0.03 0.01 0.06 99.89 0.01 0.00 0.00 0.00 31 I H H 43.82 15.49 22.63 37.49 91.37 49.51 -63.41 -42.63 0.04 0.00 99.96 0.01 0.00 0.02 99.96 0.01 0.00 0.00 0.00 32 T H H 61.47 6.21 25.71 31.82 91.42 50.07 -63.80 -42.10 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 33 V H H 31.71 14.27 23.84 38.03 91.79 48.61 -64.46 -42.77 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 34 A H H 7.21 21.55 20.59 41.88 91.24 50.62 -63.60 -42.25 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 35 S H H 37.18 10.48 23.75 34.35 91.16 51.58 -63.21 -41.36 0.17 0.00 99.83 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 36 I H H 60.50 7.67 23.99 32.12 91.59 50.45 -64.26 -42.58 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 37 L H H 14.96 17.16 18.13 35.95 91.78 50.03 -64.45 -42.46 0.22 0.00 99.78 0.02 0.01 0.14 99.76 0.08 0.00 0.00 0.00 38 I H H 44.68 14.51 17.19 31.76 92.13 49.95 -64.54 -41.85 0.73 0.00 99.27 0.05 0.03 0.57 99.04 0.30 0.00 0.00 0.00 39 K H H 118.53 5.90 18.75 25.10 91.39 52.51 -65.33 -33.40 5.09 0.00 94.91 0.09 0.12 5.05 94.39 0.34 0.00 0.00 0.00 40 F C T 101.19 7.20 15.99 24.36 94.87 46.28 -92.32 1.84 71.23 0.02 28.75 0.43 1.20 68.53 29.06 0.74 0.00 0.01 0.02 41 S C T 73.08 5.78 17.57 24.10 96.54 -111.63 67.27 29.46 97.85 0.02 2.13 3.94 1.58 92.21 2.10 0.16 0.00 0.01 0.01 42 R C C 72.06 13.68 12.47 26.51 102.36 147.21 -88.53 63.90 91.21 0.44 8.35 88.83 1.64 1.70 6.27 1.11 0.00 0.13 0.33 43 E H H 103.38 7.55 16.53 25.18 95.36 131.67 -66.47 -29.94 25.77 0.24 73.98 10.11 4.61 10.81 56.40 17.81 0.02 0.12 0.12 44 D H H 77.12 4.52 19.87 24.74 92.94 61.83 -68.14 -30.25 14.63 0.26 85.10 3.38 2.03 8.33 65.75 20.22 0.04 0.16 0.08 45 I H H 18.08 18.33 13.65 32.07 93.69 53.11 -68.62 -35.83 9.42 0.29 90.29 2.25 1.31 5.30 70.15 20.69 0.03 0.21 0.07 46 V H H 40.20 15.98 14.44 30.18 94.53 53.34 -75.18 -26.27 15.89 0.34 83.77 3.41 2.45 9.63 68.38 15.72 0.08 0.21 0.13 47 E H H 138.09 2.11 18.89 20.75 95.04 51.32 -78.93 -22.22 48.59 0.42 50.99 6.35 10.89 31.44 44.02 6.74 0.10 0.16 0.28 48 N C C 80.13 5.17 16.87 23.00 112.20 38.23 -122.03 97.55 92.46 0.50 7.04 65.98 18.34 7.53 6.17 1.38 0.00 0.16 0.44 49 R H H 102.22 15.47 12.75 27.51 93.68 -173.04 -63.19 -35.55 13.09 0.07 86.83 3.57 2.51 7.13 82.39 4.31 0.01 0.03 0.05 50 A H H 76.42 2.95 19.71 23.21 92.19 58.54 -64.49 -37.68 9.88 0.02 90.10 0.90 0.94 7.91 86.60 3.59 0.02 0.01 0.01 51 N H H 61.65 7.69 19.66 28.16 92.66 49.17 -68.18 -36.85 5.83 0.02 94.14 1.01 0.50 4.17 91.29 2.99 0.01 0.01 0.01 52 F H H 9.91 22.73 16.42 39.01 91.66 52.99 -63.66 -44.28 0.99 0.01 99.00 0.28 0.10 0.49 98.72 0.40 0.00 0.00 0.00 53 I H H 31.86 15.83 20.43 36.18 91.45 50.09 -63.00 -42.81 0.22 0.00 99.78 0.05 0.02 0.11 99.74 0.09 0.00 0.00 0.00 54 A H H 50.27 3.81 24.65 28.14 91.19 51.07 -63.15 -42.42 0.16 0.00 99.84 0.03 0.01 0.10 99.79 0.07 0.00 0.00 0.00 55 F H H 34.94 14.36 21.33 36.03 91.90 49.61 -64.14 -42.88 0.21 0.00 99.79 0.02 0.01 0.14 99.75 0.08 0.00 0.00 0.00 56 L H H 5.69 23.58 16.90 40.55 91.42 49.54 -63.68 -43.01 0.40 0.00 99.60 0.04 0.02 0.29 99.51 0.14 0.00 0.00 0.00 57 N H H 73.67 9.41 19.89 29.64 91.69 50.34 -63.96 -40.62 1.50 0.00 98.50 0.12 0.08 1.21 97.92 0.66 0.00 0.00 0.00 58 E H H 112.59 4.88 20.94 26.24 91.55 52.13 -66.20 -31.56 7.17 0.00 92.82 0.18 0.21 7.02 91.81 0.78 0.00 0.00 0.00 59 I C T 42.53 15.19 16.60 32.13 93.67 48.67 -87.17 -5.05 54.12 0.04 45.83 0.51 1.42 52.03 44.63 1.34 0.01 0.01 0.04 60 G C T 35.31 6.41 22.12 29.32 98.61 -104.21 87.10 10.80 99.20 0.09 0.71 8.30 3.13 87.94 0.42 0.14 0.00 0.04 0.03 61 V C C 19.77 19.31 13.14 32.45 112.47 132.45 -91.90 123.81 93.83 4.81 1.36 86.46 5.38 1.37 0.75 0.53 0.00 1.69 3.80 62 T C C 46.77 9.03 17.91 27.90 128.30 145.14 -118.74 157.66 91.86 6.57 1.57 84.03 5.50 2.00 0.81 0.73 0.00 3.10 3.83 63 H C T 110.29 10.24 13.45 24.19 97.30 -121.86 -80.24 -9.27 84.29 8.77 6.94 19.30 24.43 41.65 1.77 4.78 0.03 4.99 3.05 64 E C T 149.92 1.36 16.05 16.73 97.03 42.88 -85.34 12.73 92.11 1.54 6.36 8.46 20.94 62.83 1.13 5.03 0.00 0.85 0.76 65 G C S 44.43 7.46 12.57 21.11 97.78 -98.11 81.25 5.39 91.02 1.85 7.14 24.98 43.64 22.50 1.19 5.84 0.00 0.97 0.88 66 R C C 124.67 4.64 15.80 22.04 118.80 138.46 -88.42 142.36 85.96 10.92 3.13 67.12 15.25 3.36 1.21 2.15 0.00 7.69 3.22 67 K C C 118.71 6.83 18.88 26.76 114.26 -108.43 -72.92 140.28 55.27 41.45 3.28 47.29 4.11 1.07 2.06 1.31 0.01 14.68 29.47 68 L C C 19.14 22.38 10.94 32.74 111.10 -119.01 -82.12 125.13 93.22 5.41 1.37 87.62 5.32 0.67 0.76 0.63 0.00 2.61 2.40 69 N C C 65.65 4.51 22.80 27.04 132.87 159.55 -121.16 171.83 96.87 1.65 1.48 88.90 7.43 0.37 1.53 0.13 0.00 0.46 1.18 70 Q H H 101.33 9.83 14.98 25.58 91.43 -95.17 -60.29 -36.39 4.01 0.01 95.98 0.44 0.65 2.76 95.50 0.64 0.01 0.00 0.00 71 N H H 101.97 1.60 19.75 19.87 91.85 53.28 -64.66 -39.89 3.18 0.00 96.81 0.28 0.29 2.46 96.12 0.84 0.01 0.00 0.00 72 S H H 24.44 10.29 16.17 28.20 92.01 50.74 -65.30 -40.22 1.80 0.01 98.20 0.40 0.19 1.09 97.38 0.93 0.00 0.00 0.00 73 F H H 22.04 20.41 13.65 33.70 91.97 51.85 -63.64 -42.00 0.50 0.00 99.50 0.12 0.04 0.26 99.30 0.27 0.00 0.00 0.00 74 R H H 121.34 5.60 19.34 25.78 91.72 51.62 -63.94 -40.56 0.31 0.00 99.68 0.06 0.02 0.18 99.60 0.13 0.00 0.00 0.00 75 K H H 117.37 2.18 21.18 22.14 92.26 49.94 -65.39 -41.91 0.38 0.00 99.61 0.05 0.02 0.26 99.46 0.20 0.00 0.00 0.00 76 I H H 28.57 14.87 16.69 32.11 92.16 47.63 -65.22 -42.38 0.77 0.00 99.23 0.06 0.04 0.59 98.90 0.41 0.00 0.00 0.00 77 V H H 26.04 17.76 14.44 32.02 92.12 48.79 -67.59 -35.58 2.93 0.01 97.07 0.23 0.18 2.36 95.69 1.54 0.00 0.00 0.00 78 S H H 77.71 2.80 18.20 21.53 91.44 60.45 -68.24 -24.07 28.86 0.02 71.12 0.79 1.01 26.76 69.25 2.15 0.01 0.01 0.02 79 E C T 127.82 3.02 17.45 20.80 94.14 54.46 -87.69 -8.06 62.46 0.05 37.49 2.56 3.42 54.66 36.74 2.56 0.00 0.02 0.04 80 L C S 25.13 19.41 6.69 24.28 120.84 95.78 -84.73 147.76 98.73 0.24 1.04 24.30 73.44 0.86 1.01 0.11 0.00 0.04 0.24 81 T C C 74.33 1.89 17.65 18.47 119.81 -113.33 -73.41 162.41 99.34 0.17 0.49 98.51 0.70 0.25 0.35 0.04 0.00 0.04 0.11 82 Q H H 131.98 3.03 12.45 17.43 91.26 -102.52 -57.79 -38.90 5.25 0.01 94.73 1.11 1.12 2.99 93.54 1.22 0.01 0.00 0.01 83 E H H 135.12 1.03 16.19 15.81 91.95 52.25 -64.46 -40.29 4.21 0.01 95.78 0.50 0.45 3.12 94.30 1.63 0.00 0.00 0.00 84 D H H 54.67 7.66 14.67 23.92 92.15 47.90 -66.59 -39.35 3.07 0.01 96.92 0.72 0.34 1.95 95.09 1.88 0.00 0.00 0.01 85 K H H 52.08 14.91 13.34 28.37 91.74 52.72 -62.69 -41.82 1.15 0.00 98.85 0.35 0.12 0.57 98.51 0.44 0.00 0.00 0.00 86 K H H 120.27 2.79 19.80 22.54 91.69 50.75 -64.23 -40.32 1.64 0.00 98.36 0.36 0.14 0.91 98.26 0.32 0.00 0.00 0.00 87 T H H 69.55 2.83 20.59 22.75 91.92 50.03 -64.81 -42.04 1.56 0.01 98.43 0.30 0.13 0.93 98.24 0.38 0.00 0.00 0.00 88 L H H 21.91 15.65 16.97 33.27 91.81 49.75 -63.84 -43.33 1.09 0.01 98.90 0.28 0.11 0.57 98.66 0.38 0.00 0.00 0.00 89 I H H 39.47 13.72 17.95 32.19 91.72 49.24 -63.57 -42.33 0.84 0.00 99.15 0.23 0.08 0.44 98.93 0.32 0.00 0.00 0.00 90 D H H 84.56 2.27 21.62 22.72 91.55 50.36 -64.08 -41.35 1.44 0.01 98.55 0.27 0.12 0.88 98.19 0.52 0.00 0.00 0.00 91 E H H 85.73 5.84 19.68 26.12 91.98 49.72 -65.39 -40.25 3.12 0.01 96.87 0.44 0.25 2.19 96.20 0.90 0.01 0.00 0.01 92 F H H 35.78 17.23 15.47 32.59 92.71 49.26 -66.77 -40.07 6.34 0.03 93.63 1.10 0.70 4.31 92.59 1.27 0.01 0.01 0.02 93 N H H 75.50 7.66 18.59 26.93 92.41 52.19 -65.86 -35.90 14.53 0.08 85.39 3.24 1.54 9.53 83.12 2.46 0.02 0.03 0.05 94 E H H 113.32 2.58 20.09 21.94 93.11 53.40 -67.02 -37.59 19.40 0.10 80.50 2.28 1.91 14.81 76.18 4.67 0.05 0.04 0.06 95 G H H 25.27 9.44 16.56 26.95 94.16 51.38 -67.94 -33.82 35.12 0.12 64.77 3.32 2.91 28.27 60.75 4.58 0.03 0.05 0.08 96 F H H 62.06 14.35 15.31 29.47 95.70 52.29 -77.56 -24.02 31.11 0.30 68.59 10.92 3.73 16.88 63.63 4.50 0.02 0.12 0.19 97 E H H 102.70 4.17 18.85 23.62 92.24 68.47 -62.17 -42.05 3.12 0.01 96.87 0.77 0.40 1.71 96.45 0.65 0.00 0.00 0.00 98 G H H 33.09 3.86 19.02 23.28 92.17 50.50 -64.60 -40.19 2.46 0.01 97.53 0.55 0.24 1.49 96.99 0.72 0.00 0.00 0.00 99 V H H 40.93 10.89 16.35 28.39 92.24 50.57 -65.29 -42.07 0.69 0.00 99.31 0.17 0.07 0.37 99.07 0.32 0.00 0.00 0.00 100 Y H H 99.23 7.29 17.59 25.89 91.94 50.78 -63.97 -41.46 0.22 0.00 99.78 0.05 0.02 0.11 99.73 0.09 0.00 0.00 0.00 101 R H H 132.68 2.19 19.06 20.62 91.80 50.68 -64.15 -41.38 0.21 0.00 99.79 0.04 0.01 0.12 99.78 0.06 0.00 0.00 0.00 102 Y H H 107.01 5.29 17.44 23.48 92.09 49.74 -64.89 -41.52 0.24 0.00 99.76 0.03 0.01 0.14 99.74 0.07 0.00 0.00 0.00 103 L H H 58.94 8.18 15.06 24.73 92.09 50.39 -64.75 -41.12 0.39 0.00 99.61 0.05 0.02 0.25 99.55 0.12 0.00 0.00 0.00 104 E H H 94.18 3.07 15.93 19.62 91.91 50.66 -64.58 -40.05 1.25 0.00 98.75 0.16 0.07 0.87 98.52 0.37 0.00 0.00 0.00 105 M H H 99.96 2.68 14.39 17.58 92.64 51.16 -65.89 -39.44 4.33 0.01 95.66 0.42 0.27 3.32 95.06 0.92 0.00 0.00 0.00 106 Y H H 120.93 4.80 11.85 18.03 94.77 50.59 -70.64 -34.49 10.15 0.03 89.82 1.44 0.95 7.29 89.03 1.24 0.01 0.01 0.02 107 T H H 88.39 3.53 10.94 15.87 96.41 54.93 -76.72 -22.30 26.55 0.17 73.28 5.84 3.49 17.03 72.16 1.28 0.02 0.06 0.12 108 N C H 115.65 1.99 9.58 12.78 101.37 59.85 -87.46 12.37 61.61 0.31 38.09 32.67 2.63 23.99 39.21 1.18 0.00 0.10 0.21 109 K C C 145.95 2.85 10.44 15.01 104.91 115.89 -83.82 52.12 99.89 0.02 0.09 99.55 0.13 0.23 0.07 0.00 0.00 0.01 0.00