# 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 102.02 8.35 11.77 21.22 115.96 -160.63 -94.99 129.75 99.97 0.03 0.01 99.90 0.06 0.02 0.00 0.00 0.00 0.01 0.00 1 S C C 78.51 3.76 11.46 17.06 116.16 -154.61 -97.85 132.11 93.33 1.67 5.00 87.68 1.22 5.37 2.22 1.81 0.00 0.84 0.86 2 H C C 125.06 5.53 9.62 16.84 112.24 -155.91 -93.78 122.77 88.55 2.58 8.87 58.91 16.69 13.02 3.60 5.12 0.00 1.36 1.30 3 S C C 71.16 4.64 10.79 17.08 113.71 -157.86 -95.46 136.03 84.52 2.53 12.94 58.43 13.83 12.18 5.45 7.43 0.00 1.34 1.34 4 T C C 89.91 5.44 9.94 17.01 107.79 -159.19 -93.16 57.86 80.76 2.26 16.98 49.63 17.11 14.23 8.50 8.14 0.00 1.05 1.34 5 D C C 103.72 3.31 11.76 16.54 106.93 100.54 -90.15 75.15 81.77 1.62 16.60 50.60 16.47 14.89 8.67 7.61 0.00 0.73 1.03 6 H C C 120.78 6.08 9.87 17.43 106.23 140.48 -90.43 61.13 82.84 1.29 15.88 49.10 17.53 16.46 8.77 6.68 0.00 0.53 0.93 7 S C C 78.03 3.89 11.23 16.72 107.58 136.81 -89.08 71.61 85.60 1.06 13.35 42.78 17.62 25.95 6.36 6.09 0.00 0.44 0.75 8 G C C 50.17 4.35 12.56 18.15 107.14 26.11 59.22 -4.70 86.32 1.21 12.48 40.55 23.60 22.78 5.03 6.68 0.00 0.48 0.88 9 A C C 65.48 6.34 11.36 19.15 108.41 116.73 -86.36 97.13 81.69 1.86 16.45 50.71 17.52 13.60 7.53 8.63 0.00 0.83 1.18 10 S C C 71.68 5.61 12.64 19.72 109.40 72.64 -89.33 99.70 82.43 2.14 15.43 54.25 13.45 14.79 7.39 7.84 0.00 1.02 1.26 11 H C C 119.42 6.57 13.15 20.98 107.64 102.39 -93.15 57.66 79.82 2.11 18.07 41.70 17.83 21.05 10.64 6.56 0.01 0.88 1.33 12 G C C 35.49 9.16 13.70 23.51 111.13 64.46 -97.02 5.88 79.00 1.23 19.76 35.06 23.72 20.80 14.28 4.84 0.01 0.48 0.81 13 S C C 53.97 5.76 16.04 22.76 116.17 -65.24 -86.28 159.16 61.66 1.45 36.89 36.41 16.75 9.03 33.43 3.06 0.02 0.50 0.81 14 V H H 80.59 9.07 13.74 23.72 93.86 -103.70 -63.35 -35.94 14.16 0.20 85.64 6.38 3.60 5.05 83.27 1.52 0.02 0.07 0.09 15 K H H 127.86 2.63 18.45 21.12 92.52 54.25 -65.11 -39.78 4.97 0.05 94.97 1.86 0.83 2.39 93.56 1.31 0.01 0.03 0.02 16 T H H 45.33 9.40 17.16 27.59 92.54 50.53 -65.54 -40.79 2.79 0.03 97.18 1.06 0.38 1.38 95.98 1.17 0.00 0.02 0.01 17 Y H H 50.54 16.94 15.91 32.48 92.20 50.74 -64.43 -41.94 1.95 0.02 98.03 0.62 0.24 1.04 97.42 0.66 0.00 0.01 0.01 18 M H H 88.96 5.97 21.13 27.28 91.72 49.48 -64.67 -41.53 1.30 0.01 98.69 0.36 0.14 0.69 98.55 0.24 0.00 0.00 0.00 19 T H H 68.32 3.45 23.06 25.96 91.63 49.13 -64.35 -42.33 0.59 0.00 99.41 0.13 0.05 0.32 99.40 0.10 0.00 0.00 0.00 20 G H H 9.10 16.17 17.42 34.30 91.93 50.41 -64.00 -42.47 0.36 0.00 99.64 0.06 0.02 0.21 99.64 0.07 0.00 0.00 0.00 21 F H H 59.26 15.06 19.52 34.21 91.82 49.98 -63.59 -41.99 0.20 0.00 99.80 0.03 0.01 0.12 99.80 0.05 0.00 0.00 0.00 22 I H H 93.75 3.21 24.05 26.33 91.53 49.50 -63.69 -42.40 0.13 0.00 99.87 0.01 0.01 0.07 99.87 0.03 0.00 0.00 0.00 23 L H H 71.67 6.19 22.62 29.05 91.62 48.82 -64.53 -41.61 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 24 S H H 8.56 20.79 16.46 37.53 91.27 50.95 -63.80 -42.22 0.23 0.00 99.77 0.02 0.01 0.16 99.78 0.04 0.00 0.00 0.00 25 I H H 68.59 10.47 21.35 31.81 91.41 50.13 -63.76 -41.51 0.29 0.00 99.71 0.01 0.01 0.21 99.68 0.08 0.00 0.00 0.00 26 I H H 101.34 2.19 24.53 25.12 91.67 48.91 -64.61 -42.27 0.39 0.00 99.61 0.02 0.01 0.31 99.42 0.24 0.00 0.00 0.00 27 L H H 43.71 12.94 19.81 33.01 92.26 48.44 -66.60 -40.17 3.18 0.00 96.82 0.07 0.06 3.33 95.92 0.63 0.00 0.00 0.00 28 T H H 16.62 20.36 16.95 36.96 92.52 50.65 -67.36 -39.03 19.98 0.00 80.02 0.16 0.28 20.98 77.82 0.75 0.00 0.00 0.00 29 V H H 74.28 5.66 23.12 28.76 92.06 51.24 -64.90 -41.21 9.25 0.01 90.75 0.19 0.47 8.61 90.24 0.48 0.01 0.00 0.00 30 I H H 79.80 4.47 23.39 27.60 91.77 50.41 -64.03 -42.83 2.26 0.01 97.74 0.31 0.23 1.53 96.72 1.21 0.00 0.00 0.00 31 P H H 13.24 18.75 16.85 36.01 91.47 50.56 -63.50 -41.52 1.29 0.00 98.71 0.19 0.09 0.86 96.90 1.95 0.00 0.00 0.00 32 F H H 73.16 12.15 19.73 31.89 91.69 50.88 -63.42 -41.64 0.57 0.00 99.43 0.05 0.04 0.43 97.82 1.65 0.00 0.00 0.00 33 W H H 141.34 2.53 22.41 23.91 91.75 50.50 -64.32 -41.46 0.62 0.00 99.37 0.05 0.04 0.51 98.17 1.22 0.00 0.00 0.00 34 M H H 48.52 9.80 16.84 28.03 91.97 50.65 -65.08 -40.65 1.28 0.01 98.71 0.11 0.09 1.04 97.45 1.30 0.01 0.00 0.00 35 V H H 36.64 16.26 13.43 29.48 92.70 49.32 -66.97 -38.26 3.78 0.03 96.19 0.23 0.29 3.30 94.44 1.67 0.05 0.01 0.01 36 M H H 114.97 4.90 16.72 22.30 93.96 49.25 -73.86 -32.20 10.68 0.04 89.28 0.54 0.86 9.38 87.62 1.52 0.05 0.02 0.02 37 T H H 94.80 1.98 16.14 17.79 98.62 45.89 -88.36 -10.52 39.89 0.23 59.88 2.98 6.62 29.84 58.58 1.67 0.08 0.07 0.17 38 G C T 45.51 7.26 12.30 20.87 101.70 -123.67 73.96 16.91 97.16 0.58 2.26 32.49 21.89 43.09 0.96 1.03 0.00 0.29 0.26 39 A C C 77.06 3.62 15.52 20.13 103.79 123.45 -88.40 16.75 96.65 2.43 0.91 71.33 19.04 6.27 0.30 0.65 0.00 1.46 0.95 40 A C C 33.70 14.81 9.46 24.01 120.29 114.24 -88.78 148.62 92.04 7.50 0.46 54.08 37.52 1.09 0.23 0.22 0.00 2.65 4.19 41 S C C 61.23 2.79 19.72 21.80 116.42 -106.59 -71.63 151.91 99.61 0.31 0.08 98.28 1.36 0.08 0.05 0.01 0.00 0.12 0.10 42 P H H 74.96 11.38 12.37 24.26 92.23 -115.71 -58.50 -36.84 3.86 0.01 96.13 0.40 0.47 2.77 95.18 1.17 0.00 0.00 0.00 43 A H H 77.99 1.77 17.56 18.99 91.86 54.50 -64.74 -39.23 2.43 0.00 97.56 0.16 0.17 1.97 96.37 1.32 0.00 0.00 0.00 44 V H H 69.96 4.81 18.02 23.62 92.43 47.53 -67.21 -40.08 1.51 0.01 98.48 0.21 0.12 1.02 97.22 1.43 0.00 0.00 0.00 45 I H H 17.05 19.08 13.80 32.99 91.80 50.55 -63.84 -42.99 0.49 0.00 99.51 0.09 0.04 0.26 99.42 0.20 0.00 0.00 0.00 46 L H H 65.78 11.00 19.00 30.35 91.81 50.94 -62.79 -41.79 0.20 0.00 99.80 0.03 0.01 0.11 99.81 0.05 0.00 0.00 0.00 47 G H H 39.01 2.37 22.88 23.89 91.52 50.23 -64.10 -41.77 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 48 T H H 40.91 10.32 20.32 31.39 91.94 49.15 -64.88 -42.28 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 49 I H H 18.69 21.04 17.76 38.17 91.65 49.76 -63.80 -42.96 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 50 L H H 77.96 7.09 22.64 30.15 91.55 49.90 -63.22 -42.04 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 51 A H H 57.99 2.76 24.47 26.05 91.33 49.75 -63.89 -42.36 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 52 M H H 34.00 14.94 20.10 35.25 91.52 48.84 -65.04 -41.59 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 53 A H H 16.26 18.19 18.35 36.43 91.65 52.07 -63.08 -41.90 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 54 V H H 81.54 3.37 24.28 27.06 91.46 49.88 -63.87 -42.26 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 55 V H H 66.21 5.36 23.12 28.53 91.52 49.05 -64.41 -42.24 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 56 Q H H 22.38 19.28 18.06 37.11 91.84 50.30 -64.35 -41.48 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 57 V H H 53.72 11.51 20.74 32.33 91.54 50.86 -63.29 -42.31 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 58 L H H 93.09 2.59 23.86 25.34 91.41 50.10 -64.20 -42.29 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 59 V H H 35.65 11.83 19.64 32.30 91.71 49.45 -64.41 -42.62 0.12 0.00 99.88 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 60 H H H 34.83 17.66 17.81 35.22 91.74 50.89 -63.29 -42.18 0.29 0.00 99.71 0.02 0.01 0.24 99.61 0.12 0.00 0.00 0.00 61 L H H 78.54 5.62 20.88 26.92 91.54 50.38 -63.73 -41.25 0.68 0.00 99.31 0.04 0.03 0.59 99.01 0.32 0.00 0.00 0.00 62 V H H 70.68 4.93 20.56 25.83 92.01 49.48 -65.21 -41.56 2.47 0.01 97.52 0.08 0.13 2.36 96.53 0.88 0.02 0.00 0.00 63 C H H 26.87 15.24 16.43 31.92 93.28 47.29 -68.12 -40.96 10.38 0.03 89.59 0.29 0.60 9.93 87.30 1.80 0.06 0.01 0.02 64 F H H 76.52 11.61 17.26 29.05 95.09 44.11 -72.12 -36.22 25.10 0.11 74.79 1.20 2.21 22.07 70.91 3.34 0.14 0.04 0.09 65 L H H 88.94 4.51 18.08 23.14 93.36 52.40 -70.13 -32.56 46.54 0.91 52.54 6.34 8.30 32.25 45.00 6.78 0.31 0.38 0.64 66 H C T 91.85 7.66 16.09 24.69 96.04 51.45 -73.92 -12.75 58.93 1.14 39.94 20.66 7.63 31.37 31.26 7.79 0.04 0.53 0.72 67 M C T 69.50 12.20 13.26 25.86 96.42 71.95 -71.67 -24.69 66.90 1.41 31.69 26.86 12.70 28.39 21.89 8.61 0.04 0.62 0.90 68 N C C 95.15 5.41 15.18 21.67 100.47 59.03 -88.74 6.36 77.21 1.31 21.47 36.12 13.96 27.94 13.84 6.72 0.01 0.57 0.84 69 T C C 69.83 7.17 11.47 20.12 108.70 108.01 -86.77 104.68 79.69 1.33 18.98 42.42 20.50 16.99 12.51 6.14 0.00 0.54 0.90 70 K C C 142.64 3.24 12.86 17.31 103.11 -134.18 -82.35 -9.91 79.55 1.12 19.32 38.51 23.88 17.59 12.59 6.20 0.00 0.43 0.78 71 S C C 71.59 4.71 11.29 17.44 108.32 58.46 -85.14 102.48 75.62 0.80 23.57 35.05 21.90 19.26 15.73 7.16 0.00 0.30 0.59 72 D C C 90.68 5.01 11.59 18.04 104.96 72.85 -87.22 35.31 67.96 0.62 31.42 33.86 16.98 17.65 23.96 6.86 0.01 0.23 0.45 73 E C H 125.53 4.10 12.71 18.18 100.23 76.74 -72.99 -25.40 49.98 0.37 49.65 17.54 12.11 21.31 42.89 5.73 0.02 0.14 0.26 74 G H H 40.26 4.31 15.29 20.52 98.61 41.46 -39.81 -37.44 37.54 0.26 62.21 12.88 8.07 17.50 57.04 4.22 0.02 0.10 0.17 75 W H H 111.19 7.45 14.96 23.59 94.75 54.33 -68.57 -37.55 16.86 0.18 82.96 7.87 3.11 6.30 79.91 2.65 0.01 0.08 0.08 76 N H H 52.41 12.37 14.63 27.46 93.14 55.22 -64.84 -40.67 8.60 0.11 91.29 4.90 1.32 2.86 89.36 1.47 0.00 0.06 0.03 77 M H H 97.85 4.08 19.08 23.44 92.22 51.34 -65.28 -41.25 2.06 0.02 97.92 0.79 0.29 0.94 97.31 0.66 0.00 0.01 0.00 78 T H H 68.74 3.40 20.36 23.61 92.05 50.18 -64.73 -41.78 0.77 0.00 99.22 0.23 0.08 0.38 98.97 0.33 0.00 0.00 0.00 79 A H H 22.75 13.31 15.92 30.25 91.83 50.69 -63.94 -41.67 0.56 0.00 99.44 0.11 0.04 0.32 99.27 0.25 0.00 0.00 0.00 80 F H H 78.63 10.74 18.08 29.30 91.93 50.73 -64.19 -41.43 0.40 0.00 99.60 0.06 0.02 0.25 99.49 0.18 0.00 0.00 0.00 81 V H H 84.89 2.44 21.96 23.16 91.89 49.68 -64.39 -42.23 0.34 0.00 99.66 0.04 0.02 0.22 99.61 0.11 0.00 0.00 0.00 82 F H H 90.94 6.17 20.31 26.95 92.03 48.65 -65.21 -41.47 0.42 0.00 99.58 0.05 0.02 0.27 99.58 0.08 0.00 0.00 0.00 83 T H H 23.61 16.15 16.07 32.69 91.93 50.74 -64.69 -41.74 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 84 V H H 68.63 6.73 19.99 27.31 91.65 50.39 -63.76 -41.55 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 85 L H H 93.24 2.51 21.92 23.30 91.85 49.39 -64.50 -41.91 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 86 I H H 52.91 10.58 18.88 30.08 92.10 48.71 -65.08 -42.35 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 87 I H H 46.27 13.68 17.71 31.69 91.78 49.78 -63.69 -42.07 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 88 A H H 55.44 3.75 20.76 24.52 91.51 51.11 -63.65 -41.63 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 89 I H H 86.39 4.20 20.89 25.01 91.91 48.80 -64.87 -41.92 0.18 0.00 99.82 0.01 0.00 0.13 99.80 0.05 0.00 0.00 0.00 90 L H H 45.20 13.55 17.53 31.31 92.29 48.92 -65.15 -41.85 0.46 0.00 99.54 0.02 0.02 0.38 99.48 0.10 0.00 0.00 0.00 91 V H H 59.29 9.13 19.27 28.85 92.36 48.59 -64.88 -41.97 1.83 0.01 98.16 0.09 0.08 1.57 98.08 0.17 0.00 0.00 0.00 92 V H H 83.19 2.47 22.07 23.33 91.89 49.22 -64.95 -42.13 2.72 0.01 97.27 0.22 0.18 2.05 97.29 0.24 0.00 0.00 0.00 93 G H H 22.57 7.72 18.12 27.25 92.12 50.69 -64.29 -41.44 2.84 0.01 97.15 0.39 0.24 1.84 97.22 0.29 0.00 0.00 0.00 94 S H H 30.00 12.08 16.57 29.46 92.00 51.83 -64.72 -41.12 2.11 0.01 97.87 0.40 0.19 1.30 97.75 0.35 0.00 0.00 0.00 95 I H H 87.78 4.04 19.85 24.00 91.76 50.54 -64.34 -41.78 1.06 0.01 98.93 0.16 0.08 0.68 98.81 0.26 0.00 0.00 0.00 96 W H H 133.35 3.20 19.28 22.35 91.99 50.09 -64.75 -41.93 0.71 0.01 99.28 0.12 0.05 0.46 99.07 0.30 0.00 0.01 0.00 97 I H H 59.71 8.93 16.28 26.25 92.19 49.84 -64.66 -42.14 0.78 0.01 99.21 0.11 0.06 0.55 98.91 0.37 0.00 0.01 0.00 98 M H H 81.83 6.57 16.68 23.96 92.00 50.04 -64.29 -41.26 1.27 0.01 98.73 0.13 0.08 0.96 98.33 0.49 0.00 0.00 0.00 99 W H H 139.08 2.40 17.53 19.74 92.11 49.60 -64.82 -41.29 2.69 0.01 97.30 0.28 0.21 2.07 96.69 0.73 0.00 0.00 0.00 100 N H H 72.84 4.57 15.73 21.39 92.38 49.68 -65.88 -39.90 5.15 0.02 94.83 0.82 0.48 3.59 94.08 1.02 0.00 0.01 0.01 101 L H H 71.17 6.01 14.44 21.67 92.31 50.69 -65.15 -39.90 6.24 0.03 93.73 1.09 0.70 4.21 91.99 1.98 0.01 0.01 0.01 102 N H H 86.60 2.91 15.19 18.69 92.72 50.57 -66.15 -38.62 8.94 0.05 91.00 1.99 1.06 5.68 88.56 2.64 0.01 0.03 0.02 103 Y H H 127.21 2.61 14.05 17.24 93.65 50.91 -67.17 -38.60 12.62 0.09 87.29 2.88 1.76 8.00 83.67 3.58 0.02 0.04 0.05 104 N H H 81.81 4.46 11.76 17.61 93.41 52.00 -68.92 -33.52 20.68 0.17 79.16 5.82 2.87 12.31 74.85 3.93 0.03 0.08 0.09 105 M H H 112.30 3.13 11.13 15.44 94.68 55.47 -70.42 -32.86 30.12 0.38 69.50 9.39 5.17 16.73 62.91 5.36 0.05 0.18 0.21 106 M H H 130.79 1.76 10.36 13.04 97.14 56.49 -76.11 -24.05 44.40 0.97 54.62 18.34 8.61 19.55 47.58 4.91 0.05 0.42 0.54 107 M C C 126.27 2.68 8.52 12.76 101.05 60.79 -83.66 -0.79 69.49 0.67 29.84 47.35 2.19 18.93 27.88 2.94 0.00 0.30 0.41 108 H C C 140.21 3.03 10.73 15.34 103.95 83.26 -83.87 63.18 99.92 0.02 0.05 99.80 0.06 0.10 0.02 0.00 0.00 0.01 0.00