# 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 R C C 136.73 5.61 12.46 19.39 110.88 -134.85 -80.86 134.06 99.81 0.04 0.15 99.66 0.11 0.10 0.10 0.01 0.00 0.01 0.01 1 K C C 132.53 3.21 11.62 16.21 105.92 -130.80 -75.89 102.25 63.58 0.70 35.72 56.77 1.33 5.79 32.97 2.47 0.00 0.29 0.37 2 R H H 146.26 3.96 10.85 16.26 97.94 -92.49 -69.93 -33.43 37.65 0.59 61.76 22.01 6.99 10.00 55.36 5.10 0.01 0.26 0.27 3 K H H 122.61 4.69 12.98 18.91 96.19 56.16 -69.91 -33.75 27.20 0.52 72.28 15.32 5.11 8.10 65.30 5.70 0.01 0.25 0.22 4 E H H 101.09 5.53 14.19 20.85 96.25 54.76 -69.88 -35.07 23.11 0.42 76.47 14.16 3.84 6.01 71.37 4.25 0.01 0.19 0.17 5 S H H 53.01 5.09 15.43 21.57 94.98 55.67 -68.87 -39.06 19.21 0.23 80.56 11.26 2.82 5.43 77.98 2.31 0.00 0.10 0.10 6 Y H H 93.65 8.35 17.02 26.07 93.59 50.90 -66.57 -39.30 7.58 0.06 92.35 3.02 1.09 3.29 91.26 1.27 0.00 0.03 0.03 7 A H H 28.03 11.00 15.91 28.25 92.33 52.77 -64.02 -40.83 4.31 0.03 95.66 1.50 0.48 2.11 95.12 0.76 0.00 0.01 0.01 8 I H H 72.83 5.78 18.90 25.43 91.97 50.66 -64.57 -41.92 1.72 0.01 98.27 0.42 0.16 1.00 98.09 0.32 0.00 0.00 0.00 9 Y H H 103.22 5.27 20.04 25.66 91.96 50.47 -64.32 -42.47 0.56 0.00 99.44 0.11 0.04 0.32 99.42 0.12 0.00 0.00 0.00 10 I H H 41.46 12.56 17.95 31.22 91.95 49.90 -64.33 -42.63 0.23 0.00 99.77 0.03 0.01 0.15 99.75 0.06 0.00 0.00 0.00 11 Y H H 70.51 12.17 17.70 30.36 92.05 50.52 -64.26 -41.50 0.14 0.00 99.86 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 12 K H H 106.80 3.42 21.19 24.19 91.94 50.34 -64.74 -41.56 0.24 0.00 99.76 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 13 V H H 51.57 6.39 18.73 26.35 91.75 49.26 -64.47 -42.24 0.38 0.00 99.62 0.03 0.02 0.29 99.60 0.06 0.00 0.00 0.00 14 L H H 24.82 14.38 14.01 29.46 91.91 50.48 -64.47 -40.18 0.50 0.00 99.50 0.04 0.03 0.36 99.39 0.17 0.00 0.00 0.00 15 K H H 103.62 7.24 15.30 23.67 91.92 53.05 -65.02 -36.92 2.02 0.00 97.97 0.11 0.09 1.75 97.50 0.55 0.00 0.00 0.00 16 Q H H 128.61 1.46 17.08 17.73 93.39 49.92 -69.44 -36.51 5.07 0.00 94.92 0.17 0.23 4.60 94.51 0.48 0.01 0.00 0.00 17 V H H 79.74 5.37 14.43 20.94 98.80 37.73 -84.76 -33.74 9.08 0.03 90.89 0.42 1.22 7.25 90.80 0.26 0.02 0.00 0.02 18 H C C 67.93 9.18 10.15 20.84 111.81 23.84 -132.47 69.84 98.97 0.23 0.81 60.96 36.83 1.08 0.71 0.13 0.00 0.05 0.24 19 P C T 91.62 4.60 11.06 18.05 94.78 166.57 -63.38 -26.18 84.03 0.26 15.71 16.81 6.86 60.08 3.48 12.46 0.00 0.13 0.17 20 D C T 129.18 0.67 14.30 13.54 95.72 54.10 -84.05 3.04 80.42 0.24 19.34 8.05 9.66 62.09 5.47 14.40 0.00 0.12 0.20 21 T C C 59.30 9.02 10.85 21.04 100.11 88.04 -90.94 -2.11 80.62 0.63 18.75 29.82 29.68 21.70 6.90 11.06 0.00 0.22 0.62 22 G C C 42.67 4.01 16.63 21.51 104.50 -122.72 78.62 4.24 83.59 1.06 15.35 42.76 25.83 15.07 12.07 3.15 0.00 0.37 0.75 23 I C H 59.81 12.32 12.69 25.50 100.14 118.39 -82.55 -6.04 56.04 1.15 42.80 40.13 9.00 6.41 41.20 2.23 0.00 0.39 0.63 24 S H H 52.48 7.52 15.39 24.05 95.42 88.96 -67.46 -44.06 24.56 0.29 75.14 17.12 3.41 4.40 73.29 1.53 0.00 0.11 0.13 25 S H H 76.46 2.16 17.68 19.56 93.11 45.07 -66.69 -38.93 4.57 0.04 95.39 1.73 0.77 2.04 94.31 1.12 0.00 0.01 0.01 26 K H H 123.76 2.50 18.40 20.75 92.31 49.74 -66.64 -40.59 2.16 0.02 97.83 0.71 0.28 1.07 97.17 0.76 0.00 0.01 0.00 27 A H H 21.66 12.29 14.20 27.87 92.32 50.70 -64.87 -42.04 1.27 0.01 98.72 0.39 0.13 0.62 98.40 0.45 0.00 0.00 0.00 28 M H H 73.28 8.79 16.70 26.52 91.95 51.35 -63.72 -41.00 0.61 0.00 99.38 0.19 0.06 0.28 99.28 0.19 0.00 0.00 0.00 29 S H H 63.90 2.20 19.76 20.99 91.97 50.86 -64.78 -41.26 0.64 0.00 99.36 0.14 0.04 0.36 99.29 0.16 0.00 0.00 0.00 30 I H H 81.08 4.73 18.97 24.25 92.10 48.97 -65.11 -42.08 0.57 0.00 99.43 0.09 0.04 0.34 99.39 0.13 0.00 0.00 0.00 31 M H H 52.58 12.48 16.09 29.21 92.01 50.15 -64.44 -41.76 0.61 0.00 99.39 0.12 0.04 0.34 99.36 0.13 0.00 0.00 0.00 32 N H H 77.12 5.89 18.38 25.10 91.80 51.13 -63.77 -40.37 1.08 0.00 98.92 0.18 0.07 0.67 98.87 0.21 0.00 0.00 0.00 33 S H H 61.22 2.24 19.81 21.07 91.92 50.53 -64.89 -41.08 1.69 0.00 98.31 0.19 0.10 1.20 98.21 0.30 0.00 0.00 0.00 34 F H H 84.97 6.99 18.36 26.31 92.10 49.47 -65.21 -41.81 1.79 0.01 98.20 0.26 0.14 1.22 98.03 0.35 0.00 0.00 0.00 35 V H H 41.41 11.76 16.24 28.93 92.00 50.19 -64.41 -41.91 1.30 0.01 98.70 0.29 0.12 0.75 98.64 0.20 0.00 0.00 0.00 36 N H H 82.65 3.64 19.19 23.06 91.71 50.78 -64.07 -40.71 1.47 0.00 98.53 0.30 0.11 0.89 98.49 0.21 0.00 0.00 0.00 37 D H H 77.80 2.62 19.85 21.84 92.11 50.14 -65.34 -40.90 1.63 0.00 98.37 0.27 0.12 1.07 98.33 0.21 0.00 0.00 0.00 38 I H H 49.56 10.07 17.39 28.64 92.08 50.08 -64.73 -42.56 0.81 0.00 99.19 0.12 0.05 0.51 99.18 0.12 0.00 0.00 0.00 39 F H H 76.09 10.84 17.14 28.57 91.87 50.63 -63.92 -41.57 0.27 0.00 99.73 0.05 0.01 0.15 99.73 0.06 0.00 0.00 0.00 40 E H H 114.98 2.39 20.37 22.21 91.71 50.37 -64.52 -41.01 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 41 R H H 122.68 3.61 20.23 23.88 91.91 49.29 -65.51 -41.39 0.23 0.00 99.76 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 42 I H H 38.80 13.38 17.03 31.07 92.14 49.05 -64.72 -42.22 0.27 0.00 99.73 0.03 0.01 0.17 99.73 0.06 0.00 0.00 0.00 43 A H H 43.48 7.63 18.65 27.36 91.67 50.93 -63.39 -41.38 0.43 0.00 99.57 0.06 0.02 0.25 99.57 0.10 0.00 0.00 0.00 44 A H H 57.33 2.38 21.61 22.79 91.74 50.08 -64.27 -41.92 0.91 0.00 99.09 0.10 0.05 0.60 99.05 0.19 0.00 0.00 0.00 45 E H H 78.22 6.88 20.24 27.84 91.96 49.13 -65.51 -40.77 1.24 0.00 98.76 0.16 0.08 0.80 98.68 0.28 0.00 0.00 0.00 46 A H H 21.85 14.22 15.75 30.76 91.94 51.79 -63.81 -40.59 1.81 0.00 98.19 0.32 0.13 1.08 97.87 0.60 0.00 0.00 0.00 47 S H H 57.75 4.20 19.99 24.52 91.90 51.69 -64.34 -39.73 3.85 0.01 96.13 0.59 0.28 2.65 94.91 1.55 0.00 0.01 0.00 48 R H H 133.58 2.39 20.39 22.04 92.33 50.30 -66.06 -39.95 6.15 0.04 93.81 0.82 0.53 4.57 91.70 2.34 0.01 0.02 0.01 49 L H H 49.34 9.27 15.61 26.43 92.78 49.92 -66.89 -38.66 8.24 0.10 91.66 1.71 0.98 5.41 88.08 3.71 0.02 0.06 0.04 50 A H H 38.81 8.92 13.26 23.76 92.99 55.36 -65.97 -35.20 19.36 0.32 80.32 4.24 2.16 12.87 74.93 5.44 0.05 0.18 0.14 51 H H H 129.25 2.30 15.05 17.63 95.67 53.72 -72.81 -24.51 33.86 0.56 65.58 6.64 3.75 23.48 60.10 5.37 0.08 0.29 0.27 52 Y H H 147.44 3.07 12.62 16.75 99.10 53.24 -79.50 -26.04 45.68 1.10 53.22 12.00 9.82 25.46 46.76 4.72 0.15 0.48 0.60 53 N C T 89.55 5.45 10.55 17.49 105.14 43.89 -96.25 52.69 66.04 0.95 33.01 21.62 12.82 31.79 28.56 4.24 0.03 0.39 0.55 54 K C T 159.61 2.10 11.79 15.27 98.00 -133.23 -27.93 10.26 76.37 0.74 22.88 21.25 18.50 37.19 15.82 6.41 0.01 0.30 0.52 55 R C C 155.27 3.27 11.67 16.39 108.76 91.66 -92.93 90.31 79.12 1.22 19.66 32.08 19.85 27.91 10.58 8.25 0.01 0.52 0.80 56 S C C 69.56 5.94 11.46 18.92 109.22 -155.06 -90.09 103.74 84.47 2.59 12.95 44.18 22.94 17.99 5.08 7.34 0.01 1.38 1.07 57 T C C 91.22 4.46 15.12 20.89 117.03 72.93 -101.86 132.03 82.84 9.27 7.90 55.45 17.04 10.63 3.58 4.33 0.01 6.57 2.39 58 I C C 40.10 16.81 9.99 26.38 119.47 -150.07 -104.80 132.51 86.76 11.70 1.54 73.13 12.75 0.79 1.32 0.45 0.00 6.78 4.78 59 T C C 65.55 3.38 20.53 23.47 122.70 -137.10 -85.98 162.33 93.66 5.27 1.07 92.85 1.18 0.29 0.89 0.15 0.00 3.36 1.27 60 S H H 58.08 11.22 13.03 24.82 91.66 -105.55 -59.17 -38.88 2.59 0.01 97.40 0.68 0.43 1.27 97.16 0.45 0.00 0.00 0.00 61 R H H 157.00 1.91 18.41 20.17 91.64 53.66 -64.16 -39.87 0.92 0.00 99.07 0.14 0.09 0.57 98.85 0.34 0.00 0.00 0.00 62 E H H 82.25 7.69 18.64 27.05 91.87 49.31 -66.10 -40.71 0.38 0.00 99.62 0.07 0.03 0.21 99.33 0.35 0.00 0.00 0.00 63 I H H 15.99 20.26 15.33 35.52 91.95 50.15 -64.04 -43.06 0.17 0.00 99.83 0.03 0.01 0.09 99.77 0.10 0.00 0.00 0.00 64 Q H H 68.21 11.46 20.19 31.71 91.36 50.79 -62.80 -41.58 0.22 0.00 99.78 0.03 0.01 0.13 99.76 0.07 0.00 0.00 0.00 65 T H H 63.81 3.68 23.43 26.64 91.76 49.64 -64.57 -41.92 0.41 0.00 99.59 0.04 0.02 0.29 99.54 0.11 0.00 0.00 0.00 66 A H H 17.96 13.67 19.71 34.20 91.82 50.79 -64.07 -42.07 0.64 0.00 99.36 0.05 0.03 0.47 99.12 0.32 0.00 0.00 0.00 67 V H H 13.11 20.97 17.57 38.24 91.81 50.13 -64.30 -41.11 0.96 0.00 99.04 0.08 0.05 0.75 97.84 1.28 0.00 0.00 0.00 68 R H H 116.12 9.08 20.24 29.64 91.22 53.72 -64.31 -34.48 3.15 0.01 96.84 0.17 0.15 2.72 94.04 2.90 0.00 0.00 0.00 69 L H H 94.28 5.55 21.02 26.75 92.15 54.19 -70.45 -29.17 12.41 0.01 87.57 0.31 0.45 11.93 85.04 2.24 0.01 0.00 0.01 70 L H H 51.06 14.28 17.32 31.41 96.88 43.65 -88.81 -23.63 24.30 0.07 75.63 1.11 2.57 20.62 74.27 1.31 0.05 0.02 0.05 71 L C S 33.57 17.68 12.07 29.43 115.58 61.36 -108.86 116.30 98.27 0.30 1.43 19.00 77.66 1.49 1.39 0.14 0.00 0.07 0.24 72 P C C 82.03 4.51 16.35 21.88 113.53 -130.50 -68.59 145.45 88.81 0.36 10.83 64.90 10.35 13.06 8.79 2.46 0.00 0.14 0.29 73 G H H 45.66 2.83 16.78 20.01 117.94 19.09 76.19 -150.62 38.62 0.44 60.94 9.97 12.95 17.23 52.00 7.31 0.08 0.16 0.30 74 E H H 128.87 3.04 16.91 20.46 94.12 -16.48 -66.79 -35.22 14.06 0.21 85.73 4.03 2.58 7.64 76.07 9.44 0.05 0.11 0.09 75 L H H 52.13 11.51 14.54 27.03 92.11 54.89 -64.74 -39.17 7.18 0.20 92.62 2.85 1.07 3.32 83.21 9.34 0.01 0.14 0.04 76 A H H 24.07 14.04 13.85 28.64 91.97 54.01 -64.29 -38.98 5.12 0.15 94.73 2.08 0.71 2.29 85.86 8.91 0.01 0.12 0.03 77 K H H 129.07 3.11 20.33 23.71 92.48 51.73 -66.22 -36.76 9.04 0.25 90.71 2.34 1.21 5.44 81.78 8.95 0.03 0.18 0.06 78 H H H 90.07 6.30 18.73 25.74 95.50 50.28 -73.63 -30.07 16.15 0.55 83.30 4.71 2.43 9.42 74.89 7.95 0.06 0.36 0.17 79 A H H 25.74 15.48 14.46 30.01 95.34 66.09 -65.85 -39.34 24.42 2.15 73.42 13.19 4.63 8.39 66.13 5.62 0.07 1.37 0.60 80 V H H 70.58 9.69 17.26 27.25 95.50 50.66 -69.60 -35.60 30.66 3.75 65.59 16.99 5.37 10.12 58.39 5.51 0.10 2.55 0.96 81 S H H 65.18 4.23 17.74 22.36 97.42 57.59 -73.26 -33.48 41.15 2.81 56.04 20.21 7.84 14.70 49.04 5.53 0.09 1.67 0.93 82 E C H 109.01 6.34 16.44 23.50 98.05 47.96 -75.52 -22.26 58.71 0.87 40.42 11.24 11.11 35.54 36.03 5.15 0.07 0.40 0.45 83 G C T 30.51 10.85 15.43 26.49 100.14 45.09 -51.98 -31.94 67.84 0.69 31.46 18.50 13.05 36.25 26.57 4.95 0.02 0.31 0.36 84 T C H 60.70 10.14 15.37 26.02 96.80 61.10 -72.05 -30.59 52.11 1.96 45.93 35.25 8.82 8.22 41.02 4.98 0.01 1.05 0.65 85 K H H 116.93 4.52 18.88 23.95 95.41 64.98 -68.17 -34.95 38.34 3.95 57.71 26.64 6.44 6.89 50.99 5.45 0.03 2.65 0.90 86 A H H 39.27 9.24 15.75 26.26 94.10 58.16 -67.11 -37.39 28.67 4.89 66.44 20.78 4.58 5.30 58.65 5.99 0.03 3.91 0.76 87 V H H 53.92 11.72 14.93 27.12 94.90 53.18 -68.75 -36.88 23.56 5.60 70.83 17.33 3.73 4.54 62.93 5.85 0.03 4.85 0.74 88 T H H 70.89 5.89 16.13 23.00 95.39 56.83 -70.33 -36.07 25.06 4.75 70.19 17.84 3.87 5.25 62.59 5.71 0.04 4.00 0.70 89 K H H 123.59 3.48 16.11 20.27 96.19 54.94 -71.12 -30.44 29.21 3.42 67.37 18.25 5.04 7.76 60.28 5.39 0.05 2.54 0.68 90 Y H H 107.66 8.62 11.84 21.42 100.30 56.79 -79.98 -19.21 34.56 2.61 62.83 20.69 6.33 9.42 56.64 4.53 0.04 1.63 0.71 91 T H H 78.04 6.23 11.28 18.86 103.40 63.35 -85.41 -4.99 43.22 1.91 54.87 24.69 7.44 12.03 50.54 3.59 0.03 1.03 0.64 92 S C H 81.81 2.60 10.75 14.66 101.57 64.84 -82.86 0.18 57.25 1.39 41.36 26.42 11.02 20.06 37.52 3.71 0.03 0.65 0.60 93 S C C 79.92 3.08 8.95 13.81 104.53 80.84 -85.99 45.61 77.07 0.83 22.10 53.23 3.55 19.60 20.44 2.33 0.00 0.41 0.43 94 K C C 148.69 2.91 11.38 15.92 105.98 -166.32 -85.61 58.91 99.90 0.04 0.06 99.72 0.11 0.11 0.03 0.00 0.00 0.02 0.01