# 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 K C C 150.03 2.30 14.42 17.81 115.15 -150.37 -98.08 126.22 99.05 0.90 0.05 98.94 0.31 0.07 0.02 0.01 0.00 0.46 0.19 1 I C C 81.64 10.37 7.28 18.08 116.04 -150.47 -95.66 130.32 91.15 5.14 3.71 89.38 1.10 1.67 1.78 1.20 0.00 2.64 2.23 2 D C C 90.57 3.05 11.02 15.48 112.45 -122.86 -79.82 137.42 89.25 2.25 8.50 81.97 3.48 4.61 2.10 5.60 0.00 1.33 0.91 3 Q C T 138.11 2.95 9.69 14.65 95.96 -137.72 -70.20 -19.11 83.85 1.06 15.09 19.41 16.85 47.67 2.27 12.68 0.00 0.58 0.53 4 S C T 85.21 2.14 10.32 13.63 99.06 64.13 -86.15 -0.06 84.23 1.25 14.52 20.55 16.26 47.41 2.15 12.34 0.00 0.68 0.62 5 L C C 93.28 6.37 8.97 16.96 109.31 97.09 -84.73 115.52 91.98 2.37 5.66 57.71 30.10 4.24 1.55 3.78 0.00 0.94 1.68 6 S C C 74.09 4.71 10.65 17.22 115.07 -134.26 -88.76 140.27 94.19 2.96 2.86 83.15 7.45 3.31 1.00 1.73 0.00 1.46 1.90 7 K C C 121.59 6.14 10.68 18.60 116.42 -138.88 -97.74 134.73 95.16 3.27 1.56 80.80 11.35 2.66 0.47 1.11 0.00 1.62 1.98 8 K C C 153.23 2.42 14.12 17.75 108.41 -140.60 -90.47 97.02 96.45 2.94 0.61 82.07 12.12 1.85 0.18 0.48 0.00 1.31 1.98 9 L C C 58.64 13.58 7.28 20.39 118.73 -153.92 -96.43 139.24 96.96 2.92 0.12 85.36 10.96 0.18 0.06 0.05 0.00 0.76 2.63 10 P C C 90.43 2.06 15.35 17.46 119.63 -126.87 -81.16 156.52 98.88 1.03 0.09 95.73 2.75 0.21 0.04 0.03 0.00 0.27 0.97 11 K C T 162.07 2.15 11.15 15.15 109.36 -78.90 -60.14 133.80 99.55 0.18 0.28 0.68 3.48 95.50 0.02 0.17 0.00 0.08 0.07 12 G C T 60.94 1.19 13.56 14.67 96.92 19.42 88.00 -4.05 99.76 0.07 0.17 0.93 3.35 95.52 0.01 0.13 0.00 0.05 0.02 13 T C C 63.99 6.30 11.64 19.94 118.41 123.37 -82.35 145.92 93.46 6.28 0.26 77.17 15.63 0.81 0.07 0.23 0.00 3.11 2.98 14 I C C 104.36 6.15 13.29 21.47 119.35 -143.56 -108.72 132.67 78.69 21.20 0.11 71.89 6.34 0.48 0.04 0.08 0.00 13.51 7.66 15 Y C C 71.68 12.49 11.61 25.16 120.71 -158.81 -107.54 139.05 74.68 25.25 0.07 72.15 3.39 0.12 0.04 0.04 0.00 13.80 10.47 16 D C C 66.42 6.04 18.82 25.74 117.76 -140.26 -98.24 135.09 99.25 0.72 0.03 98.53 0.88 0.05 0.01 0.01 0.00 0.37 0.16 17 P H G 48.91 15.11 12.02 27.38 91.77 -128.31 -61.27 -27.53 23.78 0.21 76.01 2.34 2.43 17.04 2.59 75.41 0.00 0.14 0.04 18 F H G 131.26 5.12 16.67 22.80 92.75 64.38 -75.82 -13.52 21.96 0.19 77.85 1.47 1.99 16.99 2.83 76.56 0.00 0.12 0.04 19 D H G 80.04 5.71 15.91 22.71 97.93 66.06 -86.73 -1.19 21.50 0.62 77.88 6.98 4.33 9.85 2.95 75.37 0.00 0.41 0.11 20 F C C 63.74 14.90 9.54 24.07 113.45 100.04 -88.57 126.75 80.18 3.35 16.47 56.81 17.98 5.24 7.12 8.74 0.01 1.20 2.91 21 S C C 51.08 4.56 15.53 21.16 121.86 -160.74 -96.88 161.39 92.01 1.90 6.09 77.13 12.06 2.15 5.27 1.15 0.00 0.63 1.62 22 M H H 116.85 4.93 13.03 19.61 92.70 -107.21 -61.13 -34.59 18.90 0.27 80.83 4.83 4.45 11.34 74.75 4.28 0.09 0.12 0.14 23 G H H 42.73 2.30 14.61 17.26 92.55 54.77 -65.11 -39.07 16.35 0.21 83.44 3.78 2.70 10.78 77.55 4.91 0.08 0.11 0.10 24 R H H 107.92 5.44 13.92 20.70 93.66 49.27 -68.48 -37.54 10.91 0.37 88.72 4.67 1.99 5.35 82.10 5.50 0.04 0.24 0.11 25 I H H 58.28 8.39 12.10 22.21 93.19 53.24 -66.22 -40.42 9.75 0.43 89.82 5.49 1.79 3.70 85.15 3.47 0.02 0.26 0.12 26 H H H 110.08 2.49 15.90 18.55 93.07 51.58 -65.65 -39.78 10.56 0.42 89.02 5.79 1.83 4.07 85.29 2.62 0.02 0.25 0.12 27 L H H 88.39 2.86 15.11 18.50 93.00 51.38 -66.13 -40.26 10.79 0.31 88.91 5.21 1.81 4.60 85.47 2.62 0.02 0.19 0.09 28 D H H 64.61 6.34 13.58 21.45 93.26 51.13 -67.43 -38.12 13.01 0.30 86.69 6.49 2.13 5.30 83.11 2.68 0.02 0.17 0.10 29 R H H 123.74 4.36 14.26 19.85 93.26 52.91 -66.32 -38.78 13.58 0.29 86.13 6.50 2.47 5.63 82.12 3.00 0.02 0.16 0.11 30 K H H 119.15 2.50 14.99 17.79 93.57 52.64 -66.88 -38.54 16.10 0.37 83.53 7.70 2.72 6.71 79.11 3.38 0.02 0.21 0.14 31 Y H H 112.78 4.74 13.31 19.44 94.96 50.17 -70.32 -35.46 20.07 0.47 79.46 10.03 3.56 7.83 74.47 3.65 0.03 0.24 0.19 32 Q H H 93.41 5.56 12.79 19.70 96.08 55.74 -71.48 -33.67 27.18 0.54 72.28 14.54 4.70 9.32 67.53 3.39 0.02 0.25 0.24 33 A H H 67.76 3.93 12.46 17.75 96.96 60.48 -73.31 -26.60 39.65 0.59 59.76 19.09 7.54 14.22 55.14 3.43 0.03 0.25 0.30 34 N C H 103.07 3.82 11.70 16.92 101.35 59.32 -85.37 2.55 57.76 0.72 41.51 29.51 11.15 17.48 37.58 3.57 0.01 0.28 0.42 35 K C C 131.09 4.54 11.69 17.77 105.69 94.52 -84.43 60.39 72.18 0.85 26.97 39.46 18.02 14.52 23.13 3.97 0.01 0.30 0.59 36 N C C 102.35 4.63 12.17 18.32 109.68 76.02 -89.61 114.40 79.79 0.78 19.43 53.03 14.30 12.21 12.73 6.79 0.00 0.32 0.63 37 S C C 56.99 9.14 11.03 21.09 106.23 -139.98 -80.26 95.15 78.32 0.89 20.79 44.02 12.81 21.50 8.43 12.24 0.00 0.42 0.58 38 N C C 112.55 4.16 14.83 20.25 101.08 76.49 -88.04 5.19 81.07 1.37 17.56 43.95 14.45 22.95 6.34 10.85 0.00 0.65 0.81 39 R C C 127.14 6.64 16.72 24.39 115.80 94.04 -99.50 131.66 85.14 2.90 11.97 48.82 26.38 10.07 5.09 6.45 0.01 1.04 2.14 40 N C C 28.06 16.68 13.93 30.84 112.87 -121.55 -84.73 125.09 94.61 2.65 2.74 78.90 13.92 0.92 2.55 0.41 0.00 0.65 2.65 41 D H H 44.47 10.39 20.43 32.18 93.58 -142.80 -64.64 -33.22 6.01 0.03 93.95 0.77 0.95 4.34 92.00 1.88 0.03 0.01 0.02 42 I H H 12.39 20.78 15.80 36.60 92.25 52.44 -65.37 -41.35 4.19 0.03 95.78 0.30 0.40 3.53 92.53 3.17 0.03 0.01 0.01 43 M H H 63.97 12.51 16.91 29.57 93.15 47.88 -67.29 -39.09 2.29 0.02 97.69 0.22 0.21 1.81 93.82 3.92 0.01 0.01 0.00 44 K H H 130.80 3.74 18.16 22.88 92.65 51.24 -67.44 -32.91 6.22 0.03 93.75 0.41 0.50 5.37 90.15 3.51 0.03 0.02 0.01 45 S C T 47.26 10.00 14.48 25.49 94.38 49.58 -85.85 -8.82 53.79 0.12 46.09 1.18 2.92 48.68 44.48 2.53 0.05 0.04 0.12 46 G C T 53.01 3.03 19.47 22.87 95.65 -117.47 74.51 19.46 99.22 0.05 0.72 9.55 3.55 86.32 0.35 0.18 0.00 0.03 0.02 47 A C C 24.27 17.80 11.92 29.45 115.36 155.06 -84.81 132.91 97.91 1.25 0.84 90.01 6.69 0.87 0.51 0.25 0.00 0.39 1.29 48 N C C 68.45 7.77 22.42 30.72 108.99 -158.07 -105.56 102.69 98.99 0.26 0.76 97.08 1.70 0.42 0.43 0.13 0.00 0.09 0.15 49 P H G 16.39 21.66 15.69 37.37 93.42 -166.89 -62.87 -31.07 32.18 0.66 67.16 13.62 3.91 14.01 33.63 34.14 0.01 0.41 0.27 50 L H G 50.37 15.87 18.14 33.43 92.42 61.54 -65.31 -32.33 19.05 0.24 80.71 3.36 2.20 11.74 37.29 45.18 0.01 0.15 0.08 51 E H G 109.95 4.55 22.05 26.81 92.72 54.72 -71.42 -27.13 15.38 0.18 84.44 3.19 1.93 8.68 40.10 45.92 0.01 0.12 0.05 52 F H G 51.18 15.09 17.56 32.54 95.12 52.71 -80.91 -22.32 24.94 0.36 74.70 6.62 3.53 13.00 37.12 39.36 0.02 0.20 0.16 53 Y C T 23.89 22.32 14.28 35.91 96.00 69.61 -77.36 -12.61 58.02 0.92 41.06 20.13 6.78 30.92 20.57 20.43 0.02 0.43 0.73 54 A C T 62.51 8.25 19.37 28.05 94.33 67.80 -81.14 -13.18 70.61 0.68 28.71 16.80 12.49 41.15 12.03 16.57 0.02 0.30 0.64 55 R C C 98.79 7.61 17.68 26.49 107.16 75.85 -103.90 98.02 98.62 0.43 0.95 78.19 19.85 0.47 0.73 0.17 0.00 0.10 0.49 56 P H H 57.80 14.63 13.38 28.14 93.53 -171.19 -62.23 -32.34 5.89 0.02 94.09 0.79 0.55 3.95 81.11 13.58 0.01 0.01 0.01 57 R H H 157.30 2.20 19.38 21.67 91.62 61.08 -64.08 -36.08 2.82 0.01 97.18 0.15 0.16 2.28 81.26 16.14 0.00 0.01 0.00 58 I H H 38.87 12.57 17.44 30.86 92.90 49.33 -67.47 -39.26 1.77 0.01 98.22 0.13 0.12 1.37 82.42 15.95 0.00 0.01 0.00 59 L H H 5.87 24.91 13.66 38.52 91.77 52.50 -66.78 -35.02 3.29 0.02 96.69 0.32 0.26 2.41 83.99 13.01 0.01 0.01 0.00 60 S H G 53.10 10.59 19.40 30.34 90.93 62.65 -64.54 -27.95 14.27 0.12 85.61 1.24 0.94 10.66 41.40 45.60 0.04 0.07 0.06 61 R H G 134.11 4.89 23.40 28.84 91.40 60.83 -72.96 -22.01 34.27 0.09 65.63 0.73 1.49 32.57 21.06 43.98 0.03 0.04 0.09 62 Y H G 15.13 21.82 16.47 38.81 97.24 47.01 -98.94 -5.95 44.34 0.27 55.39 2.38 3.64 37.44 12.49 43.69 0.02 0.15 0.19 63 V E B 23.43 19.99 15.11 35.09 122.83 90.76 -95.87 142.96 7.13 92.68 0.19 3.12 0.98 0.02 0.16 0.01 0.00 5.31 90.39 64 T C C 36.24 10.85 15.20 27.51 123.29 -126.55 -79.28 170.76 98.00 1.91 0.08 98.05 0.36 0.10 0.03 0.02 0.00 0.93 0.50 65 S C T 96.12 1.90 16.14 18.66 90.42 -91.56 -64.07 -20.53 99.40 0.22 0.37 0.29 2.90 96.31 0.02 0.30 0.00 0.15 0.04 66 T C T 86.32 3.76 17.90 22.17 92.75 57.31 -88.50 -1.99 99.48 0.09 0.43 0.16 2.71 96.64 0.01 0.41 0.00 0.05 0.02 67 G C S 13.85 16.74 14.09 31.06 95.22 -107.24 84.08 8.71 99.46 0.29 0.24 9.93 88.76 0.89 0.02 0.16 0.00 0.11 0.14 68 R C C 100.97 7.20 22.74 30.81 122.50 130.73 -91.31 149.10 95.20 4.71 0.09 68.14 27.10 0.21 0.04 0.04 0.00 1.67 2.80 69 I E B 16.35 23.11 15.35 38.66 113.08 -111.88 -80.23 130.89 9.88 90.02 0.11 5.78 1.13 0.02 0.12 0.01 0.00 11.76 81.17 70 Q C C 45.12 13.88 18.65 33.19 114.96 -119.46 -74.13 142.44 91.38 8.50 0.11 89.46 2.71 0.11 0.06 0.04 0.00 6.44 1.19 71 H C C 79.62 8.74 20.87 29.93 114.32 -108.69 -70.99 146.46 94.00 2.97 3.03 90.91 2.52 0.62 2.94 0.26 0.00 1.39 1.36 72 R H H 91.10 15.57 12.52 27.68 92.34 -116.90 -59.94 -34.06 9.17 0.10 90.73 1.61 1.70 6.10 83.50 6.93 0.05 0.04 0.06 73 D H H 119.68 1.26 18.16 18.77 92.14 57.71 -66.48 -31.15 8.08 0.10 91.82 0.85 0.98 6.07 82.31 9.58 0.10 0.05 0.05 74 I H H 92.30 6.66 17.47 24.89 97.16 42.96 -80.67 -32.96 8.93 0.12 90.95 0.72 1.35 6.91 82.99 7.73 0.17 0.05 0.08 75 T H H 18.11 19.20 12.96 31.75 99.86 35.67 -95.59 -15.20 16.05 0.23 83.71 2.10 4.19 10.80 80.89 1.66 0.12 0.08 0.17 76 G C C 42.16 4.55 22.81 27.95 95.58 -120.24 79.32 12.32 98.94 0.48 0.59 60.54 21.72 16.76 0.24 0.27 0.00 0.20 0.27 77 L C C 14.21 22.63 10.04 32.13 120.04 140.89 -79.90 146.52 96.20 3.51 0.28 83.27 11.46 0.29 0.21 0.07 0.00 0.68 4.02 78 S C C 48.24 4.72 21.00 25.92 120.01 -111.45 -73.02 160.20 99.36 0.47 0.17 99.00 0.43 0.06 0.11 0.01 0.00 0.12 0.26 79 A H H 68.36 6.80 16.18 24.37 91.28 -105.05 -58.24 -37.98 1.99 0.01 98.00 0.42 0.29 1.07 97.86 0.35 0.00 0.00 0.00 80 K H H 124.15 2.35 21.46 23.24 91.49 52.71 -64.03 -40.90 1.04 0.00 98.95 0.14 0.09 0.68 98.72 0.36 0.00 0.00 0.00 81 N H H 24.01 16.17 17.73 34.19 92.18 48.35 -66.09 -40.72 0.43 0.00 99.57 0.09 0.03 0.24 99.30 0.33 0.00 0.00 0.00 82 Q H H 27.14 19.44 17.30 36.28 91.43 52.21 -62.53 -42.38 0.13 0.00 99.87 0.02 0.01 0.07 99.84 0.07 0.00 0.00 0.00 83 R H H 129.14 3.58 24.95 28.47 91.54 50.33 -63.83 -41.48 0.16 0.00 99.84 0.01 0.01 0.10 99.81 0.07 0.00 0.00 0.00 84 R H H 89.46 9.39 24.39 33.91 91.72 49.28 -64.86 -41.80 0.11 0.00 99.89 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 85 L H H 3.78 25.59 19.68 45.31 91.50 49.39 -64.35 -42.82 0.07 0.00 99.93 0.01 0.00 0.05 99.92 0.03 0.00 0.00 0.00 86 S H H 24.41 14.43 23.63 37.90 91.51 51.86 -62.73 -42.65 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 87 K H H 101.53 3.36 27.98 31.04 91.49 49.90 -63.94 -41.82 0.14 0.00 99.86 0.00 0.00 0.11 99.85 0.03 0.00 0.00 0.00 88 A H H 7.45 17.87 21.89 40.25 91.49 50.39 -63.81 -43.26 0.20 0.00 99.80 0.02 0.01 0.13 99.83 0.02 0.00 0.00 0.00 89 I H H 6.78 24.36 20.39 44.31 91.51 50.20 -63.63 -43.16 0.11 0.00 99.89 0.02 0.00 0.06 99.90 0.01 0.00 0.00 0.00 90 R H H 115.68 6.03 25.28 31.72 91.43 50.65 -63.03 -41.91 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 91 R H H 104.01 5.34 24.08 29.62 91.74 49.22 -64.80 -41.74 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 92 C H H 5.30 20.90 15.05 36.67 91.14 50.35 -63.92 -42.59 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.05 0.00 0.00 0.00 93 Q H H 75.56 12.19 17.25 29.42 91.68 50.27 -63.49 -41.49 0.42 0.00 99.58 0.02 0.01 0.33 99.45 0.18 0.00 0.00 0.00 94 A H H 83.78 1.68 18.29 19.64 90.54 52.91 -64.90 -30.26 4.53 0.00 95.47 0.06 0.09 4.62 94.89 0.34 0.00 0.00 0.00 95 I C T 87.04 7.04 14.45 22.90 92.94 52.11 -86.00 -3.14 72.74 0.02 27.25 0.22 0.68 71.86 26.56 0.65 0.00 0.00 0.02 96 G C T 47.86 4.69 16.43 22.43 94.86 -111.61 79.74 12.75 98.85 0.01 1.14 0.68 1.09 97.36 0.77 0.09 0.00 0.00 0.00 97 L C C 55.14 13.57 14.93 28.85 96.50 123.24 -84.37 -13.50 98.10 0.99 0.91 89.94 3.18 4.98 0.51 0.26 0.00 0.33 0.81 98 M C C 33.87 21.47 14.89 34.70 119.85 63.98 -97.95 134.94 99.36 0.62 0.02 99.26 0.26 0.04 0.01 0.00 0.00 0.31 0.12