# 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 V C C 82.91 8.59 11.19 20.75 112.95 -161.71 -92.42 122.86 99.82 0.15 0.03 99.73 0.11 0.05 0.01 0.00 0.00 0.07 0.03 1 S C C 81.21 2.94 11.02 15.63 112.82 -165.10 -98.48 130.18 93.92 1.95 4.13 87.99 1.57 5.22 1.03 2.24 0.00 1.22 0.72 2 T C C 98.44 3.34 9.47 14.65 110.85 -146.11 -95.58 110.38 90.79 4.08 5.13 57.95 19.47 13.14 0.92 4.56 0.00 2.60 1.37 3 L C C 114.32 4.38 9.66 15.80 106.82 -152.58 -89.01 62.73 90.17 6.01 3.82 54.85 26.61 8.60 0.80 3.18 0.00 3.54 2.42 4 I C C 101.11 5.48 10.60 17.98 117.02 104.45 -103.42 126.36 93.16 6.62 0.22 55.65 37.94 0.45 0.10 0.11 0.00 2.82 2.93 5 P C C 74.24 6.78 11.81 20.35 116.25 -110.34 -67.77 149.36 99.38 0.54 0.08 94.93 4.28 0.28 0.02 0.04 0.00 0.29 0.17 6 P C C 77.23 8.34 11.22 20.81 112.38 -104.14 -67.17 147.45 98.04 0.70 1.27 91.34 4.40 2.49 0.39 0.65 0.00 0.35 0.38 7 K C C 150.14 2.91 13.86 18.20 110.93 -130.53 -90.57 117.98 92.53 4.81 2.65 68.26 19.40 4.63 1.14 1.44 0.00 2.24 2.88 8 V C C 88.03 7.20 11.21 19.92 115.78 -138.02 -98.42 122.63 85.70 10.86 3.44 69.40 13.24 2.27 2.11 1.41 0.00 5.89 5.67 9 V C C 72.91 9.08 11.03 21.31 116.98 -155.52 -97.11 136.63 90.21 6.55 3.24 80.98 7.50 1.66 2.07 1.08 0.00 4.28 2.44 10 S C C 55.93 4.81 14.40 20.43 118.13 -121.12 -96.77 148.83 93.63 2.87 3.50 85.65 6.42 1.69 2.43 0.91 0.00 1.61 1.29 11 S C H 68.31 7.52 11.12 19.97 93.65 -121.66 -63.67 -27.04 49.51 1.07 49.42 17.79 9.29 22.04 27.98 21.69 0.05 0.54 0.62 12 K H H 153.71 1.61 14.38 16.34 93.66 63.72 -69.35 -25.07 47.75 1.06 51.18 10.83 8.74 26.89 29.52 22.72 0.13 0.52 0.65 13 N H H 89.20 5.39 12.20 18.92 98.51 53.92 -84.55 -9.00 44.66 2.59 52.74 16.71 8.88 18.80 28.84 24.09 0.13 1.37 1.18 14 I C H 82.22 9.93 9.38 19.84 103.42 78.59 -81.45 6.12 51.81 4.37 43.83 16.93 11.00 24.58 28.45 14.09 0.48 2.22 2.25 15 G C T 53.87 3.13 13.21 17.53 101.91 35.88 -49.04 -11.21 69.37 2.32 28.31 18.81 13.87 37.35 17.76 9.68 0.10 1.13 1.30 16 S C C 80.57 2.74 11.88 15.83 103.58 66.89 -90.79 10.77 79.58 1.90 18.52 28.37 27.00 25.09 9.81 7.61 0.02 0.76 1.33 17 A C C 60.69 5.81 9.97 17.39 114.63 86.44 -85.45 141.05 91.00 1.18 7.82 56.40 29.89 4.67 5.13 2.51 0.00 0.38 1.02 18 P C T 96.94 3.10 12.91 17.16 101.57 -111.19 -68.18 -16.37 69.75 0.70 29.55 20.75 11.67 37.82 17.68 11.25 0.02 0.32 0.49 19 N C T 96.07 4.93 13.56 19.56 102.37 47.17 -81.42 35.34 65.74 0.85 33.41 24.41 8.08 33.98 22.05 10.50 0.01 0.40 0.58 20 A H H 44.60 10.60 10.42 21.90 96.57 139.22 -68.97 -20.39 33.40 0.79 65.81 20.35 5.66 7.82 47.65 17.78 0.01 0.40 0.34 21 K H H 135.40 2.71 16.24 19.73 93.13 72.24 -66.18 -34.96 19.99 0.73 79.28 8.94 3.27 7.49 57.36 22.25 0.02 0.46 0.21 22 R H H 125.11 5.23 16.67 22.79 93.52 55.11 -69.70 -30.26 19.47 0.89 79.64 7.35 3.12 8.41 57.70 22.52 0.04 0.62 0.22 23 I H H 48.65 14.26 13.74 28.04 94.72 56.30 -78.37 -21.77 19.44 0.55 80.01 8.31 3.13 8.28 64.44 15.26 0.04 0.36 0.18 24 A H H 47.74 6.92 16.58 24.96 92.82 74.33 -61.27 -40.72 5.77 0.12 94.11 2.84 0.89 2.24 90.99 2.94 0.00 0.07 0.03 25 N H H 88.31 3.39 19.61 22.96 92.32 51.78 -66.09 -38.89 4.32 0.11 95.58 1.26 0.50 2.53 92.25 3.34 0.01 0.08 0.02 26 V H H 40.39 11.45 16.79 29.18 92.66 50.79 -65.44 -42.02 4.25 0.11 95.64 1.09 0.47 2.64 92.29 3.39 0.01 0.08 0.02 27 V H H 38.82 11.06 15.86 28.22 92.03 50.91 -63.83 -41.58 3.79 0.07 96.14 1.14 0.52 2.10 94.08 2.10 0.01 0.04 0.02 28 H H H 107.37 2.56 19.39 21.49 91.56 51.13 -64.39 -40.49 4.08 0.05 95.87 0.88 0.41 2.69 91.38 4.59 0.01 0.03 0.01 29 F H H 79.19 6.82 16.33 24.58 92.06 51.39 -64.31 -41.71 3.41 0.02 96.57 0.35 0.25 2.64 91.12 5.61 0.01 0.01 0.01 30 Y H H 66.50 14.73 13.06 27.80 92.51 50.29 -67.53 -34.04 3.74 0.02 96.24 0.38 0.30 2.85 89.21 7.25 0.01 0.01 0.00 31 K H H 137.30 3.65 15.58 20.71 90.99 58.54 -66.67 -27.04 22.94 0.04 77.02 0.83 1.20 20.77 71.35 5.77 0.03 0.01 0.03 32 S C T 89.39 1.20 16.60 16.79 95.23 49.84 -90.53 -3.71 54.56 0.07 45.38 1.79 3.25 48.66 41.59 4.59 0.02 0.02 0.07 33 L C S 45.11 16.53 7.40 23.00 117.41 111.61 -74.32 141.73 99.54 0.19 0.27 25.54 73.57 0.46 0.19 0.04 0.00 0.04 0.16 34 P C C 78.31 4.38 14.76 20.51 113.47 -104.38 -64.34 145.91 99.15 0.37 0.48 96.48 1.87 0.93 0.18 0.16 0.00 0.12 0.27 35 Q C C 136.54 3.70 12.11 18.12 110.79 -135.52 -91.34 121.74 97.91 1.51 0.59 66.38 28.88 2.24 0.19 0.33 0.00 0.38 1.60 36 G C S 35.57 4.37 13.29 19.19 134.05 89.70 -110.70 -175.70 98.89 0.97 0.13 24.52 73.37 1.19 0.03 0.08 0.00 0.36 0.46 37 P C C 116.17 1.12 16.44 16.76 114.66 -54.94 -68.45 145.02 99.09 0.79 0.13 86.41 11.97 0.64 0.03 0.08 0.00 0.28 0.58 38 A C C 49.88 14.39 8.49 22.24 117.56 -109.83 -75.01 145.90 99.19 0.72 0.09 94.04 5.02 0.14 0.03 0.03 0.00 0.23 0.51 39 P C C 64.58 6.78 13.09 21.72 116.23 -104.52 -65.93 153.13 99.25 0.52 0.23 96.47 2.46 0.42 0.06 0.10 0.00 0.20 0.28 40 A C C 92.23 1.63 15.57 17.68 112.61 -104.04 -74.08 138.34 97.23 2.32 0.45 93.31 3.50 0.44 0.15 0.22 0.00 0.90 1.49 41 I C C 70.12 14.18 8.63 22.39 116.97 -138.88 -95.19 133.42 96.38 3.18 0.45 93.79 2.45 0.38 0.15 0.21 0.00 1.63 1.39 42 K C C 151.27 1.80 17.40 19.29 115.77 -162.20 -109.32 123.30 95.50 4.18 0.31 92.93 2.51 0.33 0.12 0.14 0.00 1.94 2.02 43 A C C 39.46 14.21 7.58 21.16 116.94 -137.04 -84.66 140.86 97.53 2.28 0.20 96.33 1.28 0.28 0.07 0.07 0.00 0.94 1.02 44 N C C 132.53 1.03 15.36 15.43 100.22 -171.69 -98.14 -19.03 99.40 0.48 0.12 51.79 47.22 0.51 0.05 0.05 0.00 0.16 0.22 45 T C S 63.82 3.14 14.88 18.82 134.10 23.43 -136.23 166.96 98.35 0.70 0.95 8.47 89.49 0.48 0.81 0.05 0.00 0.11 0.59 46 R H H 135.21 5.65 14.36 21.45 91.50 -96.31 -59.89 -37.94 3.36 0.01 96.63 0.39 0.68 2.22 96.00 0.69 0.01 0.00 0.01 47 L H H 73.18 9.33 14.67 24.87 91.92 51.90 -64.85 -40.01 1.72 0.00 98.27 0.16 0.15 1.29 97.61 0.79 0.00 0.00 0.00 48 A H H 35.11 6.78 15.28 24.08 91.75 51.34 -64.37 -40.28 0.49 0.00 99.50 0.08 0.04 0.31 98.80 0.77 0.00 0.00 0.00 49 R H H 113.44 4.72 18.61 24.02 91.92 51.13 -64.24 -41.56 0.22 0.00 99.78 0.02 0.01 0.14 99.56 0.26 0.00 0.00 0.00 50 Y H H 61.13 9.98 17.39 28.72 92.13 49.32 -64.65 -42.23 0.26 0.00 99.74 0.02 0.02 0.19 99.58 0.19 0.00 0.00 0.00 51 K H H 71.60 10.79 17.61 28.99 91.82 50.64 -64.36 -40.76 0.37 0.00 99.63 0.03 0.02 0.29 99.37 0.30 0.00 0.00 0.00 52 A H H 36.92 7.60 16.98 26.13 92.09 51.91 -64.44 -39.29 1.06 0.00 98.94 0.04 0.05 0.96 98.27 0.67 0.00 0.00 0.00 53 K H H 103.92 5.53 19.81 25.75 93.39 48.89 -70.04 -36.52 4.24 0.00 95.76 0.10 0.17 4.24 94.56 0.93 0.01 0.00 0.00 54 Y H H 75.51 11.54 15.46 27.60 101.21 32.86 -95.10 -24.94 19.16 0.06 80.78 0.63 1.34 17.72 78.89 1.27 0.07 0.02 0.05 55 F C T 82.98 11.08 14.34 25.85 104.83 37.98 -98.89 -20.70 65.18 1.66 33.16 8.28 14.11 41.81 31.25 2.55 0.23 0.54 1.22 56 D C S 99.27 3.25 15.62 19.55 109.13 41.91 -103.25 71.92 82.98 2.67 14.35 19.92 32.07 31.17 10.67 3.28 0.05 0.97 1.87 57 G C S 42.10 5.31 12.64 19.25 119.07 59.94 85.59 -171.21 93.07 1.03 5.90 19.77 48.62 24.80 0.99 4.69 0.00 0.45 0.68 58 D C S 126.44 1.17 15.24 15.85 97.90 -59.16 -79.86 -12.17 92.44 0.67 6.88 10.05 46.68 36.27 0.94 5.29 0.00 0.30 0.47 59 N C C 88.47 5.92 13.49 20.77 105.32 39.82 -110.20 73.55 89.10 1.94 8.96 34.39 30.16 24.68 2.00 6.58 0.00 0.76 1.42 60 A C C 38.26 13.14 12.12 25.79 102.76 151.60 -73.60 16.03 84.31 2.20 13.49 65.92 8.97 9.30 6.36 6.79 0.00 0.93 1.74 61 S C T 56.08 7.71 18.06 26.41 98.75 112.76 -77.96 -20.95 82.39 1.31 16.30 23.11 18.74 41.37 8.28 6.88 0.02 0.53 1.08 62 G C T 28.21 11.06 17.49 28.75 95.62 50.31 -68.20 -11.86 68.34 0.76 30.89 17.95 14.34 36.77 24.19 5.81 0.03 0.28 0.62 63 K H H 80.99 9.51 18.84 29.02 93.90 81.25 -63.67 -41.49 11.39 0.06 88.54 7.03 2.56 1.94 87.66 0.76 0.00 0.02 0.03 64 P H H 34.79 11.88 17.04 29.85 92.16 51.80 -64.13 -40.67 3.67 0.04 96.29 2.00 0.37 1.26 95.87 0.47 0.00 0.02 0.01 65 L H H 77.30 7.04 20.36 27.59 91.58 50.55 -64.43 -41.19 0.60 0.01 99.39 0.19 0.05 0.29 99.24 0.22 0.00 0.00 0.00 66 W H H 110.28 7.73 19.82 27.91 91.88 50.22 -64.41 -42.47 0.12 0.00 99.88 0.02 0.01 0.06 99.85 0.06 0.00 0.00 0.00 67 H H H 69.05 11.04 18.65 30.09 92.05 50.39 -64.45 -41.75 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 68 F H H 90.27 7.90 19.91 28.36 91.97 49.31 -64.45 -41.98 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 69 A H H 47.12 6.47 20.18 26.80 91.69 49.54 -64.21 -42.43 0.22 0.00 99.78 0.01 0.01 0.16 99.78 0.03 0.00 0.00 0.00 70 L H H 64.98 8.54 19.36 28.70 92.03 49.64 -64.74 -40.93 0.43 0.00 99.57 0.03 0.02 0.31 99.59 0.05 0.00 0.00 0.00 71 G H H 22.89 9.98 18.07 28.99 91.81 51.53 -63.78 -41.91 0.47 0.00 99.53 0.04 0.02 0.33 99.55 0.06 0.00 0.00 0.00 72 I H H 83.13 5.75 20.95 26.88 92.01 49.71 -64.88 -41.96 0.27 0.00 99.73 0.02 0.01 0.18 99.73 0.06 0.00 0.00 0.00 73 I H H 76.67 6.98 20.41 27.57 91.99 49.55 -64.85 -42.24 0.30 0.00 99.70 0.03 0.01 0.20 99.68 0.08 0.00 0.00 0.00 74 A H H 36.71 10.15 18.81 29.82 92.01 49.93 -64.49 -41.60 0.36 0.00 99.64 0.03 0.01 0.25 99.61 0.10 0.00 0.00 0.00 75 F H H 93.60 6.99 20.57 27.84 92.20 48.94 -65.10 -41.10 0.57 0.00 99.43 0.03 0.02 0.43 99.38 0.13 0.00 0.00 0.00 76 G H H 26.88 6.12 19.45 26.33 91.94 51.30 -64.36 -41.65 0.89 0.00 99.11 0.06 0.03 0.65 99.11 0.15 0.00 0.00 0.00 77 Y H H 90.58 7.35 19.61 27.72 91.97 50.03 -64.62 -42.03 0.89 0.00 99.11 0.08 0.05 0.62 99.01 0.23 0.00 0.00 0.00 78 S H H 37.26 9.23 17.93 28.20 91.98 50.92 -64.15 -41.77 0.99 0.00 99.00 0.10 0.05 0.71 98.90 0.24 0.00 0.00 0.00 79 M H H 87.67 4.96 19.95 25.09 91.97 49.48 -64.78 -41.02 0.69 0.00 99.31 0.05 0.03 0.51 99.13 0.26 0.00 0.00 0.00 80 E H H 88.98 5.08 19.20 24.59 91.99 50.58 -65.04 -40.66 0.80 0.00 99.20 0.05 0.03 0.63 98.91 0.37 0.00 0.00 0.00 81 Y H H 84.68 7.92 17.03 26.21 92.00 50.28 -65.33 -40.99 1.29 0.00 98.71 0.09 0.06 1.04 98.25 0.56 0.00 0.00 0.00 82 Y H H 100.58 6.13 17.04 24.10 91.96 50.95 -64.09 -41.43 1.03 0.00 98.97 0.10 0.06 0.76 98.51 0.56 0.00 0.00 0.00 83 F H H 102.61 3.10 17.79 20.96 91.78 50.16 -64.32 -41.54 1.07 0.00 98.93 0.11 0.07 0.79 98.21 0.81 0.00 0.00 0.00 84 H H H 88.13 4.34 16.21 21.61 91.85 50.13 -65.16 -41.16 1.86 0.01 98.14 0.19 0.13 1.43 97.14 1.11 0.00 0.00 0.00 85 L H H 69.24 6.38 14.32 22.12 92.18 49.62 -65.44 -39.96 3.76 0.02 96.22 0.47 0.36 2.77 94.62 1.76 0.01 0.01 0.01 86 R H H 135.07 2.69 15.43 18.50 92.26 51.25 -65.46 -39.54 7.80 0.06 92.14 1.34 0.92 5.46 89.41 2.78 0.02 0.04 0.03 87 H H H 116.76 2.24 14.51 16.97 93.75 48.79 -70.02 -34.83 16.17 0.15 83.68 3.08 2.02 11.21 79.74 3.77 0.04 0.07 0.07 88 H H H 101.31 4.65 11.64 17.81 95.62 51.14 -76.35 -25.35 25.73 0.37 73.90 7.95 4.15 14.71 68.38 4.38 0.05 0.18 0.20 89 K H H 126.20 3.65 11.45 16.53 98.48 65.96 -73.18 -22.40 40.42 0.49 59.08 9.58 6.24 25.57 53.54 4.48 0.07 0.21 0.31 90 G C H 51.11 2.47 11.74 15.17 100.08 41.47 -71.94 -6.77 58.55 0.50 40.95 15.47 9.11 34.83 35.23 4.78 0.04 0.20 0.34 91 A C C 70.93 3.63 8.74 14.06 102.89 86.05 -79.39 -5.34 64.68 1.07 34.26 27.41 16.38 22.08 21.56 11.36 0.03 0.43 0.74 92 E C C 143.25 1.79 9.20 12.21 101.40 69.39 -80.70 -0.70 69.94 1.41 28.65 32.24 14.19 24.17 14.69 13.20 0.02 0.65 0.84 93 E C C 134.79 2.65 7.65 11.98 104.22 73.53 -87.81 29.36 79.57 0.98 19.45 61.32 3.29 16.74 9.23 8.30 0.00 0.54 0.58 94 H C C 136.63 3.18 9.71 14.63 107.02 130.19 -89.86 82.93 99.79 0.07 0.14 99.52 0.14 0.21 0.06 0.02 0.00 0.03 0.02