# 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 129.49 4.71 13.85 19.86 112.58 -137.93 -82.63 135.23 99.95 0.01 0.04 99.87 0.07 0.04 0.02 0.00 0.00 0.00 0.00 1 S C C 65.50 5.90 10.97 18.27 109.19 -120.85 -75.21 141.93 65.73 0.33 33.94 57.23 1.02 6.89 32.72 1.82 0.00 0.13 0.18 2 S H H 74.70 3.16 12.37 16.59 97.36 -114.23 -69.43 -33.08 46.67 0.38 52.95 29.98 6.09 10.04 51.04 2.51 0.00 0.14 0.20 3 K H H 118.79 3.88 14.78 19.61 94.52 56.15 -67.40 -35.57 24.43 0.31 75.26 15.29 4.15 5.54 72.51 2.26 0.00 0.12 0.13 4 V H H 36.45 13.65 12.94 27.18 92.66 52.08 -65.59 -40.64 12.00 0.14 87.86 7.89 1.76 2.50 86.51 1.24 0.00 0.05 0.05 5 S H H 47.56 6.75 16.48 24.56 92.24 52.30 -63.87 -41.13 5.21 0.05 94.75 3.23 0.64 1.26 94.16 0.68 0.00 0.02 0.01 6 E H H 108.42 2.48 20.16 22.00 92.00 50.14 -65.07 -40.71 1.76 0.01 98.23 0.78 0.22 0.66 97.96 0.37 0.00 0.00 0.00 7 Q H H 58.41 12.13 18.65 31.09 91.98 50.00 -65.08 -41.18 1.15 0.01 98.84 0.42 0.13 0.50 98.66 0.27 0.00 0.00 0.00 8 L H H 33.21 17.58 17.89 35.10 91.62 50.75 -64.06 -41.38 0.95 0.01 99.04 0.31 0.10 0.44 98.93 0.21 0.00 0.00 0.00 9 K H H 120.62 3.76 23.53 27.62 91.22 50.81 -63.31 -41.08 1.17 0.01 98.82 0.28 0.10 0.64 98.75 0.22 0.00 0.00 0.00 10 A H H 43.94 6.54 23.15 30.15 91.68 49.97 -64.29 -42.00 2.17 0.01 97.82 0.33 0.16 1.46 97.78 0.27 0.00 0.00 0.00 11 A H H 7.77 20.79 19.39 40.15 92.10 50.02 -64.95 -41.99 2.30 0.00 97.69 0.43 0.19 1.37 97.77 0.24 0.00 0.00 0.00 12 S H H 25.60 15.00 21.28 36.14 91.59 51.93 -62.87 -41.54 1.23 0.00 98.76 0.25 0.10 0.63 98.89 0.13 0.00 0.00 0.00 13 G H H 32.19 3.77 24.73 28.32 91.45 51.25 -63.45 -41.84 1.11 0.00 98.89 0.19 0.08 0.61 99.00 0.12 0.00 0.00 0.00 14 I H H 38.48 12.19 22.21 34.91 91.71 49.98 -64.54 -42.83 0.63 0.00 99.37 0.13 0.05 0.31 99.43 0.09 0.00 0.00 0.00 15 L H H 9.50 23.18 18.43 41.41 91.33 50.16 -63.27 -42.98 0.34 0.00 99.66 0.06 0.02 0.16 99.68 0.07 0.00 0.00 0.00 16 K H H 97.94 9.40 22.23 31.85 91.29 51.33 -62.46 -41.36 0.42 0.00 99.58 0.06 0.02 0.23 99.56 0.11 0.00 0.00 0.00 17 E H H 101.09 3.44 23.72 26.73 91.71 49.75 -64.87 -41.27 0.83 0.00 99.17 0.09 0.04 0.56 99.08 0.23 0.00 0.00 0.00 18 M H H 28.81 14.65 18.96 34.22 91.98 50.20 -64.96 -41.61 1.97 0.01 98.02 0.24 0.14 1.39 97.71 0.52 0.00 0.00 0.00 19 F H H 35.44 17.32 16.61 33.76 92.65 50.10 -66.60 -38.37 7.23 0.04 92.73 1.10 0.70 5.12 91.73 1.30 0.01 0.02 0.02 20 A H H 58.54 5.51 18.14 24.50 93.04 55.04 -67.20 -33.14 21.15 0.10 78.74 3.03 2.17 15.72 76.98 1.99 0.03 0.04 0.07 21 K H H 122.70 3.97 17.55 22.06 97.44 50.44 -78.06 -26.15 37.98 0.41 61.62 8.76 7.19 23.27 57.20 3.10 0.07 0.15 0.27 22 C C H 53.11 11.59 14.07 25.95 100.20 53.88 -84.21 -16.08 57.82 0.88 41.30 19.02 14.01 25.97 35.42 4.66 0.04 0.33 0.55 23 H C C 108.85 8.26 16.15 24.96 99.66 63.39 -69.10 5.62 69.95 0.89 29.17 34.29 9.48 26.55 23.49 5.23 0.01 0.35 0.60 24 A C C 42.65 10.28 14.15 25.39 105.65 95.93 -75.22 27.69 57.90 1.06 41.04 27.17 13.98 17.89 25.37 14.36 0.02 0.40 0.81 25 A H T 63.61 6.17 17.28 24.18 95.22 -85.07 -65.25 -30.95 47.71 0.48 51.81 7.27 8.22 30.27 25.99 27.57 0.07 0.22 0.39 26 Y H T 96.12 11.60 17.77 29.28 95.85 53.34 -77.09 -21.60 49.49 0.70 49.81 6.85 7.43 33.02 23.29 28.49 0.08 0.35 0.49 27 A H G 15.51 18.87 14.69 33.12 95.59 60.31 -76.97 -19.65 45.64 0.86 53.50 13.28 8.64 23.19 22.61 31.24 0.06 0.40 0.60 28 W H G 94.67 12.81 17.98 30.91 94.07 79.17 -62.79 -36.57 25.96 0.62 73.42 9.21 4.44 12.88 12.03 60.88 0.00 0.36 0.20 29 P H G 56.28 9.47 20.54 30.74 91.86 61.71 -68.21 -22.41 27.64 0.54 71.82 6.73 3.88 16.95 11.15 60.80 0.00 0.32 0.17 30 F H G 33.77 19.33 16.53 35.47 96.80 56.77 -88.07 -4.34 31.09 1.30 67.61 10.05 5.44 16.66 8.93 57.71 0.01 0.81 0.38 31 Y C C 70.37 17.31 16.76 33.10 101.46 89.20 -83.00 -3.74 74.96 14.15 10.89 47.82 20.75 5.42 5.09 5.77 0.04 6.46 8.65 32 K C C 116.55 4.74 22.09 27.79 123.63 65.53 -116.01 135.93 85.26 14.29 0.45 54.64 30.26 0.89 0.21 0.26 0.00 11.19 2.55 33 P C C 68.91 12.56 17.30 29.97 115.70 -105.65 -64.84 145.76 77.94 21.55 0.50 74.96 2.95 0.47 0.29 0.22 0.00 13.78 7.33 34 V C C 22.31 20.28 12.35 32.30 116.97 -124.63 -91.96 136.87 91.08 8.31 0.61 88.41 2.70 0.37 0.39 0.19 0.00 3.76 4.18 35 D C C 84.14 4.17 22.64 26.50 107.91 -133.44 -90.24 110.53 95.89 3.02 1.09 93.22 2.41 0.53 0.79 0.22 0.00 1.27 1.57 36 V H H 31.82 18.56 10.85 29.00 93.96 -165.79 -65.82 -30.63 30.24 0.70 69.06 5.76 5.13 18.27 44.82 25.10 0.14 0.31 0.46 37 E H H 142.70 1.82 16.59 18.99 91.46 61.62 -63.29 -37.60 22.68 0.33 77.00 2.21 2.38 16.22 42.37 36.42 0.06 0.18 0.16 38 A H G 65.56 4.84 15.08 21.23 91.86 56.77 -67.32 -27.88 22.48 0.29 77.23 1.82 2.45 16.24 39.29 39.82 0.07 0.16 0.15 39 L H G 40.85 15.41 11.57 27.09 95.05 46.34 -90.84 -2.52 41.25 0.33 58.42 1.91 4.50 32.65 26.40 33.98 0.08 0.15 0.32 40 G C T 55.49 1.82 19.70 20.69 94.61 -115.33 74.91 18.98 99.15 0.07 0.78 7.83 4.64 86.86 0.25 0.34 0.00 0.04 0.03 41 L C C 34.74 16.97 9.53 26.02 115.36 129.65 -108.80 115.23 97.12 1.01 1.87 89.99 4.80 2.13 0.71 0.98 0.00 0.32 1.08 42 H C T 134.56 3.34 16.96 21.18 101.58 -164.21 -83.93 -24.17 95.23 0.57 4.21 16.86 21.23 57.21 1.35 2.66 0.00 0.25 0.43 43 D C T 80.53 5.84 18.68 25.21 101.08 19.91 -86.40 64.41 95.44 0.33 4.23 24.61 12.58 58.55 1.73 2.14 0.00 0.12 0.27 44 Y H H 27.34 21.75 12.40 33.59 93.74 156.29 -65.47 -32.07 13.83 0.17 86.00 4.03 1.93 6.91 53.97 32.98 0.02 0.08 0.07 45 A H H 40.21 13.97 15.31 29.57 91.10 65.85 -65.36 -24.94 7.01 0.04 92.95 0.49 0.46 5.30 54.81 38.89 0.01 0.02 0.01 46 D H H 104.96 2.18 21.35 22.97 92.20 60.01 -75.29 -17.73 8.03 0.03 91.94 0.45 0.48 6.19 56.68 36.16 0.01 0.01 0.01 47 I H H 40.52 15.24 16.04 31.26 97.65 48.27 -90.51 -22.58 24.25 0.22 75.53 1.70 3.24 18.24 59.36 16.99 0.20 0.10 0.16 48 I C C 14.14 23.01 9.79 31.92 118.05 68.14 -104.16 130.26 84.20 13.81 2.00 64.88 15.74 0.99 1.67 0.41 0.00 3.07 13.24 49 K C S 146.39 2.34 19.14 21.93 96.32 -159.12 -75.51 -32.53 96.78 3.03 0.19 15.53 80.03 1.75 0.05 0.09 0.00 1.95 0.59 50 H C S 109.57 5.00 19.37 25.22 116.80 16.76 -136.70 100.89 97.72 2.23 0.05 5.25 91.95 1.07 0.00 0.03 0.00 1.46 0.24 51 P C C 49.10 17.33 15.65 32.28 115.26 -139.02 -67.48 141.98 96.71 3.15 0.15 93.95 2.70 0.39 0.03 0.12 0.00 2.15 0.67 52 M C C 26.01 19.02 17.97 36.81 121.58 -159.09 -112.29 135.66 81.51 18.25 0.24 78.79 3.39 0.24 0.13 0.09 0.00 5.66 11.70 53 D C C 49.78 9.45 25.48 34.92 128.81 -160.62 -107.26 162.22 90.56 9.17 0.27 88.46 2.78 0.13 0.22 0.05 0.00 3.26 5.11 54 M H H 25.37 22.07 15.51 37.33 91.34 -103.82 -59.73 -36.35 2.74 0.00 97.25 0.31 0.36 1.94 96.97 0.42 0.00 0.00 0.00 55 S H H 63.07 4.05 22.72 26.88 91.49 55.83 -63.46 -40.14 1.97 0.00 98.02 0.14 0.15 1.67 97.54 0.49 0.00 0.00 0.00 56 T H H 53.77 6.46 21.74 28.75 91.80 49.51 -65.57 -40.99 0.96 0.00 99.03 0.21 0.10 0.63 98.63 0.44 0.00 0.00 0.00 57 I H H 3.96 24.66 14.88 39.94 91.47 50.01 -63.79 -43.57 0.24 0.00 99.76 0.05 0.02 0.13 99.71 0.10 0.00 0.00 0.00 58 K H H 77.75 13.30 19.45 32.32 91.41 51.56 -61.84 -42.14 0.22 0.00 99.78 0.03 0.01 0.13 99.75 0.08 0.00 0.00 0.00 59 S H H 61.21 1.87 22.59 22.41 91.59 50.00 -63.83 -41.85 0.42 0.00 99.58 0.04 0.02 0.29 99.53 0.12 0.00 0.00 0.00 60 K H H 65.36 9.31 18.37 28.72 92.05 48.84 -66.35 -40.01 1.09 0.00 98.90 0.11 0.08 0.78 98.78 0.25 0.00 0.00 0.00 61 L H H 13.35 21.06 12.24 32.93 92.20 51.20 -64.82 -41.08 2.83 0.01 97.16 0.33 0.21 2.10 96.73 0.63 0.01 0.00 0.00 62 E H H 125.64 3.77 17.41 22.28 91.87 51.49 -65.72 -32.99 8.92 0.01 91.07 0.43 0.48 7.72 90.78 0.58 0.01 0.00 0.01 63 A C T 72.92 2.09 16.08 17.96 93.82 52.06 -83.20 -6.72 68.03 0.07 31.91 1.52 4.06 59.86 33.55 0.93 0.01 0.02 0.06 64 R C T 141.83 8.35 13.50 23.13 95.75 -121.47 61.24 34.10 96.07 0.25 3.68 8.36 12.54 75.51 2.38 0.96 0.00 0.12 0.14 65 E C C 115.53 4.24 17.75 23.00 98.64 136.26 -85.61 -10.05 97.53 1.06 1.41 76.33 11.96 9.08 0.41 1.07 0.00 0.59 0.57 66 Y C C 35.69 19.05 9.80 28.01 121.47 71.48 -113.57 136.36 96.85 2.32 0.83 91.39 4.02 1.49 0.31 0.38 0.00 1.03 1.37 67 R C C 160.05 3.10 20.25 24.14 100.00 -175.63 -99.76 -18.36 99.57 0.25 0.18 56.09 42.74 0.81 0.08 0.07 0.00 0.09 0.13 68 D C S 64.42 4.73 23.12 27.71 136.63 19.20 -142.57 161.32 97.23 1.98 0.79 20.84 75.82 0.42 0.71 0.07 0.00 0.22 1.91 69 A H H 20.08 21.14 13.44 34.09 91.65 -108.31 -59.89 -37.19 1.76 0.00 98.24 0.15 0.20 1.31 94.77 3.58 0.00 0.00 0.00 70 Q H H 112.47 4.71 20.91 26.71 91.42 55.28 -63.15 -40.44 0.95 0.00 99.04 0.08 0.06 0.71 95.16 3.99 0.00 0.00 0.00 71 E H H 87.89 5.49 22.41 28.15 91.70 48.85 -65.86 -40.15 0.49 0.00 99.51 0.07 0.04 0.31 95.55 4.03 0.00 0.00 0.00 72 F H H 10.78 21.88 17.85 39.74 91.72 50.53 -63.97 -43.25 0.38 0.00 99.62 0.06 0.02 0.23 99.16 0.53 0.00 0.00 0.00 73 G H H 8.19 17.84 20.82 38.66 91.38 51.43 -63.07 -42.34 0.36 0.00 99.64 0.04 0.01 0.25 99.56 0.14 0.00 0.00 0.00 74 A H H 46.69 4.61 25.49 30.19 91.35 51.20 -63.48 -41.69 0.15 0.00 99.85 0.01 0.00 0.10 99.83 0.05 0.00 0.00 0.00 75 D H H 35.98 13.36 23.58 36.85 91.99 50.24 -65.18 -40.92 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 76 V H H 3.26 25.51 20.09 45.62 91.23 50.65 -63.60 -42.91 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.03 0.00 0.00 0.00 77 R H H 98.63 12.14 24.43 36.03 91.23 51.66 -62.29 -41.71 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 78 L H H 70.36 6.01 25.98 32.38 91.70 50.15 -64.11 -42.23 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 79 M H H 16.51 19.87 22.22 41.53 91.81 49.17 -64.52 -43.36 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 80 F H H 11.72 22.90 20.43 42.81 91.66 48.94 -64.50 -42.06 0.27 0.00 99.73 0.01 0.01 0.20 99.72 0.06 0.00 0.00 0.00 81 S H H 47.77 6.16 24.69 31.22 91.55 51.19 -64.11 -41.69 0.98 0.00 99.02 0.05 0.05 0.81 98.97 0.13 0.00 0.00 0.00 82 N H H 50.11 8.55 23.44 32.64 92.05 49.01 -66.20 -39.19 1.94 0.00 98.06 0.13 0.14 1.63 97.66 0.44 0.00 0.00 0.00 83 A H H 3.97 22.99 16.31 39.74 91.51 52.26 -64.48 -40.46 0.96 0.00 99.04 0.06 0.06 0.75 97.83 1.30 0.00 0.00 0.00 84 Y H H 76.74 14.55 18.30 32.52 91.68 52.89 -67.24 -31.58 1.64 0.00 98.36 0.07 0.08 1.44 95.87 2.53 0.00 0.00 0.00 85 K H H 142.51 2.23 22.36 24.18 92.79 52.45 -71.80 -29.93 6.98 0.00 93.01 0.14 0.27 6.88 90.95 1.75 0.01 0.00 0.00 86 Y H H 91.00 10.63 17.36 28.47 101.19 34.16 -99.52 -23.36 17.42 0.02 82.56 0.57 1.79 15.10 81.54 0.97 0.02 0.00 0.02 87 N C S 34.49 16.89 11.90 28.55 121.32 39.02 -126.67 120.77 99.74 0.13 0.12 24.56 74.89 0.28 0.10 0.01 0.00 0.02 0.12 88 P C C 59.93 4.61 17.99 23.61 114.98 -115.35 -65.89 147.76 99.90 0.05 0.05 98.06 1.48 0.37 0.01 0.02 0.00 0.01 0.03 89 P C T 83.68 9.81 11.49 22.29 91.70 -112.91 -60.29 -25.23 99.73 0.03 0.24 3.51 7.18 89.05 0.03 0.20 0.00 0.02 0.01 90 D C T 123.83 1.03 16.46 16.50 94.14 56.25 -87.53 2.12 99.68 0.03 0.29 4.60 7.25 87.84 0.04 0.25 0.00 0.02 0.01 91 H C S 62.68 11.20 11.02 23.42 119.44 108.97 -81.59 148.98 98.17 0.42 1.41 19.45 78.10 0.43 1.40 0.08 0.00 0.05 0.50 92 E H H 130.68 2.86 19.67 23.06 92.36 -118.71 -60.79 -36.32 2.10 0.00 97.90 0.17 0.30 1.43 97.89 0.20 0.00 0.00 0.00 93 V H H 17.34 18.97 16.80 35.62 92.11 52.31 -64.67 -42.20 0.64 0.00 99.36 0.05 0.04 0.44 99.33 0.14 0.00 0.00 0.00 94 V H H 15.46 17.09 17.61 35.27 91.50 50.15 -63.68 -42.62 0.12 0.00 99.88 0.01 0.01 0.07 99.84 0.07 0.00 0.00 0.00 95 A H H 47.69 3.58 24.28 27.56 91.02 50.55 -62.86 -42.28 0.07 0.00 99.93 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 96 M H H 44.19 11.28 23.03 34.92 91.73 49.59 -64.61 -42.20 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 97 A H H 3.01 23.95 17.17 41.60 91.11 51.36 -63.24 -42.37 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 98 R H H 113.62 7.56 24.19 32.18 91.28 51.61 -63.16 -41.21 0.20 0.00 99.80 0.01 0.00 0.14 99.82 0.02 0.00 0.00 0.00 99 K H H 107.83 3.74 25.32 28.72 91.59 50.33 -64.03 -41.49 0.32 0.00 99.68 0.03 0.01 0.22 99.70 0.04 0.00 0.00 0.00 100 L H H 12.67 20.17 19.50 39.61 91.52 49.84 -64.69 -41.68 0.19 0.00 99.81 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 101 Q H H 47.00 16.77 19.95 35.91 91.27 52.72 -62.11 -42.11 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 102 D H H 82.04 2.44 24.57 25.62 91.63 50.12 -64.12 -40.85 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 103 V H H 39.63 8.94 21.14 31.29 91.71 50.05 -64.40 -42.87 0.20 0.00 99.80 0.01 0.01 0.14 99.79 0.05 0.00 0.00 0.00 104 F H H 10.72 22.03 15.95 38.13 91.46 49.37 -64.09 -42.79 0.17 0.00 99.83 0.02 0.01 0.11 99.78 0.09 0.00 0.00 0.00 105 E H H 89.12 8.39 19.78 28.74 91.39 51.38 -63.18 -41.21 0.22 0.00 99.78 0.02 0.01 0.15 99.70 0.12 0.00 0.00 0.00 106 M H H 101.98 2.20 21.08 21.97 92.07 49.68 -64.82 -41.54 0.40 0.00 99.60 0.02 0.02 0.31 99.41 0.25 0.00 0.00 0.00 107 R H H 80.22 10.97 17.69 29.20 92.44 48.76 -66.52 -40.35 1.20 0.00 98.80 0.07 0.06 0.99 98.34 0.54 0.00 0.00 0.00 108 F H H 36.74 17.99 13.23 30.97 92.62 49.30 -67.25 -36.73 4.80 0.01 95.19 0.31 0.29 4.02 93.27 2.10 0.00 0.00 0.00 109 A H H 69.32 3.89 16.13 21.12 91.41 58.57 -66.74 -24.46 29.15 0.05 70.80 1.55 1.65 25.44 68.73 2.56 0.02 0.02 0.03 110 K C T 143.58 1.99 16.37 18.26 96.10 55.68 -88.17 -4.73 63.16 0.16 36.68 4.79 4.36 52.29 35.49 2.88 0.01 0.06 0.12 111 M C S 48.41 16.12 7.56 22.81 115.97 103.30 -79.67 137.94 98.15 0.36 1.49 36.10 60.57 1.43 1.24 0.26 0.00 0.09 0.31 112 P C C 84.67 4.03 12.41 18.00 110.27 -109.09 -66.99 148.03 95.81 0.54 3.65 80.97 5.66 9.57 1.51 1.69 0.00 0.26 0.35 113 D C C 114.69 3.01 10.12 15.06 105.60 -117.17 -80.90 80.57 96.43 0.62 2.95 85.04 1.80 10.29 1.01 1.19 0.00 0.29 0.38 114 E C C 136.77 3.20 11.97 16.85 109.22 93.06 -88.75 109.44 99.96 0.02 0.01 99.85 0.08 0.05 0.00 0.00 0.00 0.01 0.00