# 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 142.45 3.03 13.89 18.22 115.85 -135.36 -90.72 135.98 99.98 0.02 0.00 99.82 0.16 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 91.77 5.01 10.59 17.46 112.86 -106.65 -66.23 146.70 92.94 0.53 6.54 86.79 1.23 5.80 1.25 4.40 0.00 0.26 0.27 2 H C C 114.78 6.97 9.19 17.64 112.11 -120.21 -84.79 129.36 87.92 1.65 10.43 61.17 12.91 12.39 1.56 10.24 0.00 0.83 0.90 3 R C C 165.30 2.86 12.68 16.92 106.83 -158.09 -92.90 54.53 86.45 2.39 11.16 56.40 17.94 11.03 1.59 10.56 0.00 1.21 1.26 4 Y C C 99.33 11.38 8.71 20.33 117.90 116.55 -98.30 135.36 91.55 3.18 5.27 67.74 18.17 4.73 1.41 4.01 0.00 1.13 2.80 5 R C C 142.77 3.41 13.37 18.36 117.75 -140.85 -95.46 140.09 99.12 0.40 0.47 83.82 14.35 0.89 0.25 0.17 0.00 0.12 0.40 6 P C T 102.34 3.91 11.84 17.41 110.24 -97.84 -61.09 138.28 95.29 0.15 4.57 5.56 5.70 84.39 2.36 1.80 0.00 0.06 0.13 7 G C T 55.89 2.23 14.23 17.16 97.30 21.87 84.98 -2.98 94.09 0.14 5.77 6.76 6.46 81.21 3.26 2.15 0.00 0.07 0.10 8 T C C 43.98 8.87 10.82 21.57 114.42 123.47 -82.31 145.19 71.25 2.14 26.61 52.57 15.25 2.77 25.86 1.43 0.00 0.51 1.61 9 V H H 87.97 3.68 16.35 20.86 94.23 -136.67 -63.67 -39.13 4.71 0.04 95.25 1.78 0.86 2.07 94.49 0.76 0.00 0.02 0.02 10 A H H 37.51 8.71 15.55 25.73 92.18 52.45 -64.23 -41.15 2.36 0.03 97.62 0.77 0.29 1.25 96.89 0.78 0.00 0.01 0.00 11 L H H 48.26 10.11 15.30 26.87 91.93 50.02 -64.98 -40.76 0.85 0.01 99.14 0.28 0.09 0.41 98.68 0.54 0.00 0.00 0.00 12 R H H 115.86 3.62 18.79 22.79 91.83 51.34 -64.06 -41.16 0.44 0.00 99.56 0.12 0.04 0.21 99.45 0.18 0.00 0.00 0.00 13 E H H 86.64 4.72 18.92 24.29 91.73 50.22 -64.61 -41.14 0.58 0.00 99.42 0.11 0.04 0.33 99.38 0.14 0.00 0.00 0.00 14 I H H 40.51 12.47 15.72 29.21 92.17 50.21 -64.68 -41.79 0.68 0.00 99.32 0.12 0.05 0.39 99.28 0.16 0.00 0.00 0.00 15 R H H 115.41 5.44 18.28 24.61 91.78 51.72 -63.90 -40.82 0.94 0.00 99.06 0.17 0.07 0.55 98.86 0.35 0.00 0.00 0.00 16 R H H 130.18 2.42 19.04 21.02 92.18 50.23 -65.13 -40.84 2.69 0.01 97.30 0.35 0.20 1.90 96.82 0.72 0.01 0.00 0.00 17 Y H H 76.47 9.54 15.35 26.12 92.71 49.32 -66.80 -39.05 5.74 0.03 94.23 1.01 0.63 3.79 93.50 1.03 0.01 0.01 0.01 18 Q H H 73.36 11.13 14.56 26.20 92.63 54.26 -65.50 -37.62 12.79 0.09 87.12 3.27 1.61 7.57 85.30 2.14 0.02 0.04 0.05 19 K H H 142.41 1.79 17.90 19.18 92.88 51.97 -69.47 -33.66 27.61 0.15 72.24 3.83 3.21 20.22 69.84 2.72 0.03 0.06 0.08 20 S C H 56.02 4.47 16.18 21.44 100.30 46.17 -87.94 -19.78 51.15 0.31 48.54 19.04 6.48 25.50 45.63 3.02 0.01 0.11 0.20 21 T H H 37.91 14.39 12.85 27.18 95.37 76.21 -67.30 -38.04 18.99 0.16 80.85 10.52 3.81 5.18 78.17 2.19 0.00 0.06 0.07 22 E H H 107.85 5.69 16.92 23.69 93.30 60.81 -63.84 -39.13 6.88 0.06 93.05 2.07 1.07 3.79 90.01 2.98 0.01 0.03 0.02 23 L H H 79.88 3.45 18.00 21.79 92.66 51.56 -65.54 -40.86 4.39 0.06 95.54 1.26 0.63 2.60 91.72 3.71 0.02 0.04 0.02 24 L H H 43.25 11.18 15.47 27.88 92.67 50.89 -65.55 -41.27 2.99 0.04 96.97 0.81 0.40 1.75 92.81 4.19 0.00 0.03 0.01 25 I H H 39.13 15.46 14.27 29.79 92.65 50.84 -66.13 -38.84 4.42 0.04 95.55 0.61 0.41 3.16 88.10 7.67 0.01 0.02 0.01 26 R H H 145.62 3.83 18.17 22.91 92.56 54.36 -67.94 -29.18 20.94 0.04 79.02 0.81 0.94 19.22 72.78 6.19 0.03 0.02 0.02 27 K H H 123.37 4.14 17.80 22.50 96.16 50.27 -88.43 -10.01 46.55 0.07 53.38 2.03 2.87 41.19 48.40 5.40 0.03 0.03 0.07 28 L C C 31.34 17.34 11.50 28.53 109.20 97.57 -77.41 114.49 71.93 0.27 27.79 37.98 27.71 4.34 28.29 1.42 0.00 0.06 0.21 29 P H H 66.80 5.44 19.64 25.82 93.75 -145.49 -63.37 -34.52 26.86 0.13 73.01 11.09 3.08 12.33 70.70 2.66 0.00 0.06 0.08 30 F H H 55.00 14.69 16.91 31.50 93.25 54.38 -66.55 -38.16 10.96 0.07 88.97 3.55 1.26 6.06 86.53 2.53 0.01 0.03 0.03 31 Q H H 62.54 12.87 17.63 30.56 92.04 55.59 -63.70 -40.57 1.92 0.01 98.07 0.78 0.23 0.84 96.87 1.27 0.00 0.00 0.00 32 R H H 123.70 3.69 21.46 25.07 91.94 50.96 -64.87 -40.78 1.07 0.01 98.92 0.33 0.11 0.55 98.35 0.65 0.00 0.00 0.00 33 L H H 52.02 9.00 19.79 29.64 92.11 50.58 -64.66 -42.49 0.79 0.01 99.20 0.21 0.07 0.42 98.93 0.37 0.00 0.00 0.00 34 V H H 19.84 17.52 16.99 34.71 91.94 50.27 -64.31 -42.44 0.49 0.00 99.51 0.11 0.04 0.25 99.43 0.16 0.00 0.00 0.00 35 R H H 107.45 8.09 20.03 28.68 91.51 51.48 -63.23 -41.21 0.52 0.00 99.48 0.09 0.04 0.31 99.38 0.18 0.00 0.00 0.00 36 E H H 97.16 3.00 21.76 24.04 91.79 49.94 -64.53 -41.65 0.96 0.01 99.04 0.13 0.07 0.64 98.88 0.28 0.00 0.00 0.00 37 I H H 40.50 10.96 18.06 30.12 92.27 49.30 -65.08 -41.57 1.81 0.01 98.18 0.27 0.15 1.19 97.87 0.52 0.00 0.00 0.00 38 A H H 17.49 14.51 14.03 29.56 92.01 52.10 -64.81 -38.27 4.43 0.02 95.55 0.75 0.37 2.96 93.96 1.93 0.01 0.01 0.00 39 Q H H 107.45 3.36 17.55 21.47 92.43 52.75 -65.71 -37.68 12.94 0.03 87.03 1.04 0.84 10.73 81.73 5.61 0.02 0.01 0.02 40 D H H 94.78 2.59 16.81 19.41 93.62 50.24 -70.69 -30.70 23.48 0.05 76.46 1.70 1.62 19.98 71.76 4.85 0.03 0.02 0.03 41 F H H 78.70 10.27 12.08 23.26 99.38 47.20 -91.25 -8.64 43.08 0.61 56.31 13.11 7.89 23.83 49.64 4.82 0.07 0.24 0.40 42 M C C 96.45 8.13 11.08 20.29 99.89 77.46 -76.77 -2.76 69.79 1.43 28.79 45.12 8.22 15.46 25.78 3.99 0.00 0.64 0.80 43 T C C 99.66 2.41 12.88 16.05 100.58 81.32 -85.75 -15.42 75.51 0.96 23.54 41.38 14.54 19.19 18.97 4.96 0.00 0.42 0.54 44 D C C 100.22 3.19 12.53 16.65 106.00 53.05 -91.91 54.93 76.95 0.89 22.15 41.11 17.48 18.31 15.83 6.35 0.01 0.37 0.55 45 L C C 93.39 7.87 10.45 19.43 101.55 -156.55 -75.61 9.56 69.20 1.47 29.33 44.80 12.65 11.29 21.65 8.19 0.01 0.72 0.69 46 R C C 150.39 3.40 15.06 19.47 99.89 96.73 -77.89 4.96 63.39 3.32 33.29 42.48 10.33 10.10 26.04 7.95 0.02 1.92 1.17 47 F C C 79.96 12.35 11.50 24.01 105.40 78.87 -86.03 49.39 57.21 4.33 38.46 40.96 9.02 7.42 31.92 6.71 0.02 2.50 1.45 48 Q C H 92.42 6.28 16.08 23.25 108.43 84.02 -81.13 130.18 53.05 1.51 45.44 42.24 5.37 4.87 43.44 2.81 0.00 0.76 0.50 49 S H H 64.27 6.49 15.18 22.59 94.84 -104.61 -65.91 -37.16 18.36 0.21 81.43 10.31 3.57 4.78 79.65 1.53 0.00 0.09 0.08 50 S H H 68.19 2.67 18.44 20.80 93.23 52.42 -66.84 -38.30 6.86 0.07 93.07 3.06 1.07 2.68 92.11 1.02 0.00 0.03 0.02 51 A H H 29.39 9.71 16.18 27.43 92.53 51.57 -65.55 -41.26 2.44 0.03 97.53 1.14 0.32 0.98 96.89 0.64 0.00 0.02 0.01 52 V H H 33.32 13.87 16.09 30.54 92.11 50.08 -64.34 -42.20 1.02 0.01 98.96 0.44 0.12 0.43 98.69 0.30 0.00 0.01 0.00 53 M H H 92.38 4.19 20.62 25.04 91.67 50.35 -64.20 -41.31 0.63 0.01 99.36 0.25 0.07 0.28 99.25 0.16 0.00 0.00 0.00 54 A H H 49.14 4.26 20.20 24.85 91.74 50.64 -64.30 -41.44 0.54 0.00 99.46 0.16 0.05 0.27 99.41 0.12 0.00 0.00 0.00 55 L H H 45.93 12.68 17.74 30.92 92.28 50.13 -65.02 -41.24 0.39 0.00 99.61 0.10 0.03 0.20 99.58 0.08 0.00 0.00 0.00 56 Q H H 73.12 11.18 19.02 30.30 91.98 50.96 -63.55 -41.24 0.35 0.00 99.65 0.08 0.02 0.18 99.66 0.06 0.00 0.00 0.00 57 E H H 110.92 2.67 22.18 24.15 91.89 49.75 -64.93 -41.30 0.44 0.00 99.56 0.08 0.03 0.25 99.59 0.06 0.00 0.00 0.00 58 A H H 45.75 5.66 20.28 26.66 91.88 50.10 -64.91 -41.29 0.65 0.00 99.35 0.11 0.04 0.37 99.40 0.08 0.00 0.00 0.00 59 S H H 23.52 14.18 17.29 32.03 92.08 50.89 -64.92 -40.93 0.84 0.00 99.16 0.16 0.05 0.46 99.23 0.09 0.00 0.00 0.00 60 E H H 87.94 8.48 20.26 29.10 91.90 51.47 -63.89 -40.62 0.43 0.00 99.57 0.06 0.02 0.25 99.61 0.06 0.00 0.00 0.00 61 A H H 57.23 3.29 21.61 24.49 91.78 51.36 -64.71 -40.84 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.04 0.00 0.00 0.00 62 Y H H 92.15 9.40 20.43 30.17 92.22 49.92 -65.19 -41.53 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 63 L H H 39.88 15.39 18.55 33.80 92.14 50.29 -64.51 -42.24 0.17 0.00 99.83 0.02 0.00 0.11 99.82 0.04 0.00 0.00 0.00 64 V H H 66.14 6.31 21.58 28.31 91.83 50.35 -64.18 -42.04 0.22 0.00 99.78 0.02 0.01 0.14 99.77 0.06 0.00 0.00 0.00 65 A H H 45.49 5.13 21.46 27.14 91.66 50.75 -64.33 -41.43 0.62 0.00 99.38 0.05 0.03 0.44 99.29 0.19 0.00 0.00 0.00 66 L H H 35.68 14.55 18.82 33.53 92.27 50.08 -65.05 -42.05 1.93 0.00 98.06 0.15 0.10 1.47 97.84 0.42 0.00 0.00 0.00 67 F H H 61.85 13.78 19.01 32.67 92.28 50.46 -65.25 -40.95 4.71 0.03 95.26 0.78 0.49 3.12 94.73 0.85 0.01 0.01 0.01 68 E H H 108.66 3.89 22.58 26.32 92.15 51.46 -65.51 -39.61 11.84 0.08 88.08 1.90 1.28 8.20 87.32 1.21 0.02 0.03 0.04 69 D H H 62.46 8.71 21.05 30.01 93.81 47.53 -69.76 -36.02 22.60 0.15 77.25 5.18 2.61 14.02 76.35 1.67 0.02 0.06 0.07 70 T H H 24.84 18.14 17.90 35.33 93.25 53.67 -66.92 -38.73 23.21 0.28 76.51 6.97 3.56 12.87 73.80 2.51 0.03 0.12 0.13 71 N H H 74.38 9.25 22.15 31.35 92.65 53.45 -64.67 -39.64 19.71 0.27 80.02 6.20 2.54 11.20 77.28 2.51 0.03 0.14 0.12 72 L H H 71.58 5.69 23.30 29.03 92.17 51.26 -65.40 -41.89 9.19 0.29 90.52 3.22 1.55 4.88 86.60 3.44 0.05 0.18 0.09 73 C H H 19.52 13.68 18.69 33.36 92.37 50.35 -65.07 -41.61 5.93 0.43 93.64 2.04 0.95 3.28 88.80 4.45 0.05 0.33 0.09 74 A H H 17.70 13.21 16.48 31.00 92.27 51.77 -64.21 -41.13 6.58 0.56 92.87 2.21 1.01 3.67 87.82 4.66 0.06 0.47 0.10 75 I H H 90.81 4.35 19.45 23.96 92.54 49.68 -65.76 -41.18 9.52 0.64 89.85 2.50 1.40 6.01 85.75 3.60 0.11 0.49 0.15 76 H H H 109.85 4.95 17.82 23.40 92.89 48.47 -69.01 -32.25 18.94 0.63 80.43 3.70 2.81 13.04 77.27 2.43 0.16 0.36 0.23 77 A C H 34.81 12.13 12.23 25.11 96.02 51.43 -83.49 -7.92 60.11 0.77 39.12 11.39 9.47 37.77 38.32 2.28 0.05 0.31 0.41 78 K C T 163.93 1.71 17.44 19.30 95.16 -124.91 58.26 32.98 84.52 0.46 15.02 15.35 13.78 54.68 13.18 2.51 0.00 0.20 0.28 79 R C C 107.08 8.20 13.64 23.06 127.54 108.82 -119.56 148.63 91.65 1.30 7.05 37.12 28.88 25.90 4.37 2.45 0.00 0.58 0.70 80 V C C 96.83 6.88 14.71 22.80 99.81 -150.21 -90.97 -9.35 93.73 3.13 3.15 46.13 40.21 7.87 1.35 1.60 0.00 1.77 1.07 81 T C C 76.14 4.12 20.64 25.27 127.87 54.24 -121.16 145.03 91.93 5.97 2.10 60.02 27.59 4.68 0.72 1.34 0.00 3.99 1.66 82 I C C 35.83 20.47 11.24 30.97 112.07 -125.76 -88.20 122.77 92.41 6.13 1.46 77.63 13.20 1.27 0.76 0.74 0.00 2.80 3.62 83 M C C 75.20 6.32 19.55 26.57 125.71 -164.69 -104.97 156.99 99.15 0.34 0.51 95.13 3.96 0.08 0.56 0.02 0.00 0.10 0.14 84 P H H 83.73 6.07 16.02 23.44 90.80 -106.69 -57.75 -38.01 2.17 0.00 97.82 0.24 0.19 1.49 97.43 0.65 0.00 0.00 0.00 85 K H H 121.73 3.32 20.22 23.86 91.57 54.54 -64.10 -38.60 0.88 0.00 99.12 0.08 0.05 0.61 98.70 0.56 0.00 0.00 0.00 86 D H H 16.78 18.06 16.12 34.38 91.97 50.98 -65.29 -41.06 0.23 0.00 99.77 0.04 0.01 0.12 99.43 0.40 0.00 0.00 0.00 87 I H H 25.45 17.06 17.99 35.08 91.70 50.83 -64.01 -42.00 0.07 0.00 99.93 0.01 0.00 0.04 99.88 0.07 0.00 0.00 0.00 88 Q H H 93.21 3.44 24.47 27.34 91.42 50.66 -63.21 -42.20 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.03 0.00 0.00 0.00 89 L H H 36.62 9.70 21.41 32.43 91.58 50.15 -63.92 -42.43 0.09 0.00 99.91 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 90 A H H 5.37 20.01 16.33 37.18 91.41 51.16 -62.66 -42.80 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 91 R H H 87.77 8.77 19.35 28.92 91.48 50.99 -63.76 -40.87 0.49 0.00 99.50 0.04 0.02 0.34 99.39 0.20 0.00 0.00 0.00 92 R H H 135.95 2.79 19.79 22.51 91.90 50.64 -64.88 -40.82 1.29 0.00 98.70 0.10 0.06 0.98 98.37 0.49 0.00 0.00 0.00 93 I H H 54.26 12.67 15.39 28.56 92.75 49.12 -67.53 -36.22 5.97 0.02 94.01 0.26 0.31 5.23 93.56 0.61 0.01 0.00 0.01 94 R C T 96.38 10.48 13.75 24.92 95.83 45.41 -86.12 -5.11 53.14 0.09 46.77 1.10 2.50 47.85 47.30 1.14 0.02 0.03 0.07 95 G C T 54.39 2.58 14.35 17.87 98.82 -104.90 77.92 10.49 94.94 0.19 4.87 9.20 6.73 79.05 4.10 0.75 0.00 0.08 0.10 96 E C C 111.68 5.30 10.27 17.34 108.46 125.54 -87.88 103.17 97.20 0.38 2.41 90.48 2.12 5.13 1.14 0.72 0.00 0.16 0.25 97 R C C 155.16 4.45 12.88 19.18 110.73 106.62 -92.43 112.97 99.91 0.05 0.05 99.72 0.15 0.08 0.01 0.01 0.00 0.02 0.01