# 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 125.28 3.90 9.89 15.57 115.11 -151.98 -93.34 132.50 99.87 0.10 0.04 99.80 0.07 0.05 0.01 0.00 0.00 0.05 0.01 1 R C C 171.92 1.97 8.91 12.61 115.79 -149.98 -95.45 132.83 90.35 4.02 5.63 86.72 1.27 3.34 3.04 1.63 0.00 2.52 1.47 2 L C C 118.28 3.12 7.19 12.36 114.43 -133.50 -89.15 132.84 88.43 4.49 7.07 69.54 10.64 8.32 3.53 3.40 0.00 2.98 1.60 3 R C C 165.59 2.43 9.15 13.14 111.03 -147.26 -91.54 121.17 87.60 3.06 9.34 66.64 13.25 7.47 5.92 3.52 0.00 1.62 1.58 4 S C C 62.00 3.36 9.51 14.59 118.27 -120.37 -91.35 144.62 77.87 0.95 21.17 55.81 14.56 6.27 19.70 2.77 0.00 0.39 0.50 5 P C H 91.21 3.19 10.15 14.90 98.15 -108.45 -64.82 -29.75 52.55 0.44 47.01 21.36 8.01 22.99 43.48 3.71 0.02 0.19 0.24 6 Y H H 150.57 2.08 11.03 13.97 94.49 65.64 -69.39 -31.54 31.71 0.40 67.89 12.74 4.20 15.24 64.32 3.09 0.03 0.18 0.20 7 W H H 141.90 2.63 11.65 15.28 93.41 57.42 -66.52 -38.62 8.24 0.13 91.63 4.35 1.20 3.00 89.81 1.52 0.01 0.06 0.05 8 L H H 84.88 3.74 11.95 17.02 92.56 52.30 -65.27 -40.46 1.71 0.02 98.27 0.78 0.18 0.69 97.87 0.47 0.00 0.01 0.00 9 F H H 115.54 2.62 13.44 16.76 92.42 51.06 -65.45 -40.72 0.39 0.00 99.60 0.15 0.03 0.17 99.48 0.17 0.00 0.00 0.00 10 V H H 85.26 1.87 14.57 16.32 91.96 50.21 -64.37 -41.41 0.13 0.00 99.87 0.03 0.01 0.06 99.84 0.06 0.00 0.00 0.00 11 V H H 78.56 2.72 14.25 17.51 91.96 49.86 -64.79 -41.66 0.05 0.00 99.95 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 12 L H H 83.60 3.76 14.08 18.78 91.67 50.39 -64.25 -41.36 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 13 I H H 98.13 2.17 15.36 17.49 91.85 49.52 -64.63 -41.65 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 14 L H H 99.54 1.72 15.98 17.07 92.03 50.02 -64.76 -41.44 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 15 A H H 55.81 3.61 14.81 19.00 91.97 50.16 -64.79 -41.56 0.07 0.00 99.93 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 16 L H H 87.35 3.54 15.31 19.42 91.90 49.96 -64.78 -41.26 0.12 0.00 99.88 0.00 0.00 0.10 99.85 0.04 0.00 0.00 0.00 17 A H H 60.79 2.07 16.10 17.84 91.81 50.77 -63.87 -41.82 0.21 0.00 99.79 0.01 0.00 0.18 99.67 0.14 0.00 0.00 0.00 18 G H H 37.04 2.62 15.73 18.52 91.95 50.49 -64.48 -41.59 0.59 0.00 99.41 0.02 0.02 0.54 99.08 0.34 0.00 0.00 0.00 19 L H H 80.86 4.52 15.08 20.17 92.21 50.15 -65.22 -40.72 1.19 0.00 98.81 0.05 0.05 1.05 98.00 0.86 0.00 0.00 0.00 20 Q H H 91.28 3.57 15.09 19.44 91.95 51.34 -64.20 -40.64 2.23 0.00 97.77 0.12 0.13 1.88 96.06 1.81 0.01 0.00 0.00 21 Y H H 130.84 2.39 15.64 18.02 92.17 50.76 -65.16 -40.45 2.84 0.01 97.15 0.18 0.18 2.35 93.84 3.43 0.01 0.00 0.00 22 R H H 118.44 4.30 14.12 19.50 92.56 51.88 -66.06 -38.78 4.06 0.02 95.92 0.27 0.29 3.34 91.14 4.92 0.01 0.01 0.00 23 L H H 90.95 4.73 13.29 19.05 93.19 51.00 -69.02 -36.14 8.81 0.03 91.16 0.48 0.61 7.62 85.97 5.24 0.04 0.02 0.02 24 W H H 167.43 2.39 13.82 16.48 97.30 45.29 -79.39 -30.76 19.70 0.15 80.16 1.51 2.21 16.26 75.84 3.86 0.15 0.06 0.10 25 V H H 96.80 2.78 12.80 16.30 101.77 43.52 -92.05 -18.19 45.65 1.04 53.31 6.40 10.52 30.10 48.42 3.10 0.35 0.37 0.73 26 G C T 39.13 5.22 11.91 18.57 116.90 72.83 -16.41 -166.58 83.90 1.63 14.47 28.29 26.58 29.66 9.50 4.31 0.01 0.66 0.98 27 D C T 114.47 2.00 13.84 16.23 100.56 -37.56 -78.09 10.32 79.15 1.18 19.67 20.91 22.75 36.13 11.94 6.93 0.03 0.50 0.81 28 G C T 41.01 5.71 12.96 19.92 101.34 1.97 57.82 -2.44 76.25 0.88 22.87 24.52 21.71 30.82 15.48 6.49 0.02 0.33 0.64 29 S C C 50.10 5.52 13.44 20.52 103.77 86.58 -76.83 -25.11 58.25 1.07 40.68 39.37 9.49 9.50 36.64 3.98 0.01 0.41 0.59 30 L H H 97.87 4.08 14.11 19.30 93.85 55.88 -64.88 -38.89 7.62 0.07 92.32 3.43 1.58 2.83 90.90 1.19 0.00 0.03 0.03 31 A H H 61.65 2.17 15.93 17.96 92.05 52.43 -64.73 -40.79 2.90 0.02 97.08 1.08 0.39 1.35 96.23 0.93 0.00 0.01 0.00 32 Q H H 91.86 3.35 15.71 19.76 92.24 49.96 -65.23 -40.44 1.78 0.02 98.20 0.77 0.22 0.79 97.39 0.82 0.00 0.01 0.00 33 V H H 58.33 6.47 14.00 21.94 92.05 50.45 -64.04 -42.21 1.03 0.01 98.96 0.40 0.11 0.45 98.69 0.34 0.00 0.00 0.00 34 R H H 129.75 1.99 17.00 18.57 91.60 50.14 -64.23 -41.45 0.72 0.00 99.28 0.22 0.07 0.35 99.20 0.16 0.00 0.00 0.00 35 D H H 81.46 1.98 17.04 18.44 91.85 49.92 -64.39 -41.20 0.83 0.00 99.17 0.21 0.07 0.45 99.14 0.13 0.00 0.00 0.00 36 L H H 71.46 5.19 14.95 21.39 92.06 49.90 -64.48 -40.91 0.62 0.00 99.38 0.15 0.05 0.33 99.38 0.10 0.00 0.00 0.00 37 Q H H 101.63 3.35 16.06 20.04 91.64 51.03 -64.25 -40.58 0.43 0.00 99.57 0.09 0.03 0.23 99.58 0.07 0.00 0.00 0.00 38 K H H 124.36 1.45 16.97 17.26 91.91 49.92 -65.02 -40.58 0.44 0.00 99.56 0.09 0.03 0.24 99.58 0.06 0.00 0.00 0.00 39 Q H H 97.32 2.55 16.61 19.20 91.94 49.71 -64.76 -41.32 0.56 0.00 99.44 0.11 0.04 0.31 99.47 0.07 0.00 0.00 0.00 40 I H H 75.22 4.64 14.98 20.83 91.97 49.46 -64.42 -41.76 0.65 0.00 99.35 0.13 0.05 0.35 99.39 0.08 0.00 0.00 0.00 41 A H H 57.45 2.25 16.52 18.69 91.61 50.67 -63.68 -41.39 0.97 0.00 99.03 0.24 0.08 0.50 99.07 0.11 0.00 0.00 0.00 42 D H H 89.18 1.63 17.15 17.76 92.06 49.62 -65.44 -40.24 2.14 0.00 97.86 0.47 0.18 1.21 97.94 0.18 0.00 0.00 0.00 43 Q H H 87.34 3.96 15.29 20.09 92.01 50.16 -65.38 -40.51 2.41 0.01 97.59 0.64 0.24 1.26 97.63 0.22 0.00 0.00 0.00 44 H H H 110.51 2.64 16.30 19.19 91.86 51.11 -64.82 -40.65 2.12 0.01 97.87 0.70 0.24 0.98 97.86 0.21 0.00 0.00 0.00 45 G H H 35.23 2.05 16.59 18.33 91.62 50.43 -63.47 -41.88 2.83 0.01 97.16 0.97 0.32 1.32 97.15 0.23 0.00 0.00 0.01 46 E H H 98.87 2.69 16.39 19.26 91.96 49.50 -64.90 -40.87 1.78 0.01 98.22 0.56 0.19 0.84 98.21 0.18 0.00 0.00 0.00 47 N H H 76.09 4.11 15.14 20.22 91.99 50.49 -64.85 -40.34 1.44 0.00 98.55 0.48 0.15 0.67 98.55 0.15 0.00 0.00 0.00 48 E H H 110.17 1.76 16.78 17.83 91.62 50.56 -64.64 -40.54 1.14 0.00 98.86 0.35 0.10 0.54 98.88 0.13 0.00 0.00 0.00 49 R H H 136.30 1.74 16.81 17.86 91.86 50.26 -64.76 -41.09 1.04 0.00 98.96 0.26 0.09 0.54 98.98 0.13 0.00 0.00 0.00 50 L H H 76.89 4.11 15.25 20.32 91.84 49.99 -64.60 -41.04 0.90 0.00 99.09 0.22 0.08 0.47 99.11 0.12 0.00 0.00 0.00 51 L H H 85.66 2.88 16.12 19.40 91.64 50.40 -64.05 -41.06 1.01 0.00 98.99 0.26 0.09 0.52 99.02 0.10 0.00 0.00 0.00 52 E H H 102.55 1.83 17.02 18.04 91.72 50.21 -64.27 -41.57 1.23 0.00 98.76 0.35 0.12 0.61 98.82 0.09 0.00 0.00 0.00 53 R H H 124.86 2.66 16.69 19.45 91.82 49.85 -64.61 -41.00 0.69 0.00 99.31 0.14 0.05 0.36 99.39 0.06 0.00 0.00 0.00 54 N H H 72.48 4.68 15.15 20.87 91.86 50.45 -64.95 -40.21 0.48 0.00 99.52 0.09 0.03 0.25 99.58 0.05 0.00 0.00 0.00 55 R H H 140.18 1.76 17.28 18.42 91.68 50.35 -64.69 -40.66 0.30 0.00 99.69 0.05 0.02 0.16 99.73 0.04 0.00 0.00 0.00 56 I H H 94.68 2.20 17.12 18.94 91.83 49.81 -64.61 -41.96 0.20 0.00 99.80 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 57 L H H 74.27 5.04 15.50 21.58 91.91 49.58 -64.34 -41.10 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 58 E H H 105.78 3.11 17.02 20.37 91.62 50.49 -64.33 -40.66 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 59 A H H 54.90 2.17 17.04 18.88 91.54 50.35 -63.94 -41.27 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 60 E H H 91.56 4.04 16.44 21.20 92.08 50.21 -64.73 -41.07 0.28 0.00 99.72 0.03 0.01 0.17 99.73 0.05 0.00 0.00 0.00 61 V H H 63.19 5.29 15.21 21.69 91.87 50.13 -64.16 -41.80 0.45 0.00 99.54 0.06 0.03 0.27 99.55 0.09 0.00 0.00 0.00 62 A H H 57.33 2.07 16.80 18.53 91.51 50.67 -63.45 -41.01 1.03 0.00 98.96 0.16 0.08 0.65 98.84 0.27 0.00 0.00 0.00 63 E H H 100.49 2.53 15.41 18.30 91.89 50.51 -64.84 -39.14 2.83 0.01 97.16 0.41 0.24 1.95 96.44 0.95 0.01 0.00 0.00 64 L H H 78.14 6.49 11.97 19.88 92.38 51.89 -66.09 -36.67 5.13 0.02 94.85 0.66 0.45 3.72 92.88 2.26 0.01 0.01 0.01 65 K H H 146.64 1.94 14.15 16.60 92.21 52.66 -68.24 -31.72 13.27 0.03 86.70 1.09 1.06 10.76 85.25 1.78 0.02 0.01 0.02 66 K H H 147.64 1.25 14.32 14.92 97.44 47.62 -86.01 -14.78 32.42 0.10 67.48 2.82 5.67 23.46 66.56 1.34 0.04 0.02 0.08 67 G C C 31.45 4.92 13.69 20.09 122.04 -102.17 90.96 172.58 83.34 0.31 16.35 65.72 8.84 6.90 16.61 1.64 0.00 0.10 0.21 68 T H H 82.50 6.17 12.49 19.80 94.26 -69.07 -66.30 -33.51 14.83 0.11 85.06 6.39 2.89 5.78 82.98 1.84 0.01 0.05 0.06 69 E H H 128.02 1.93 15.56 17.56 92.63 55.14 -65.85 -37.57 7.78 0.06 92.15 2.69 1.17 3.88 90.68 1.52 0.01 0.03 0.03 70 T H H 60.91 3.76 15.47 20.26 92.52 50.92 -65.74 -40.55 3.86 0.04 96.09 1.61 0.52 1.70 94.98 1.14 0.00 0.02 0.01 71 V H H 50.96 8.67 14.72 24.74 92.65 49.81 -64.86 -42.06 1.20 0.01 98.79 0.49 0.15 0.49 98.61 0.27 0.00 0.01 0.00 72 E H H 75.62 7.29 16.01 24.57 91.95 51.51 -63.63 -41.78 0.65 0.00 99.35 0.19 0.06 0.29 99.34 0.11 0.00 0.00 0.00 73 E H H 100.09 2.24 18.87 20.34 91.65 50.30 -64.14 -42.06 0.70 0.00 99.29 0.17 0.06 0.35 99.32 0.09 0.00 0.00 0.00 74 R H H 102.73 3.94 17.47 22.01 92.02 49.66 -64.63 -41.53 0.73 0.01 99.26 0.14 0.08 0.39 99.29 0.10 0.00 0.00 0.00 75 A H H 21.75 11.00 12.22 25.09 92.19 50.74 -64.12 -41.32 1.17 0.01 98.82 0.22 0.12 0.70 98.78 0.17 0.01 0.00 0.00 76 R H H 119.42 5.34 13.96 20.54 93.32 46.98 -68.16 -40.88 2.18 0.03 97.79 0.29 0.22 1.62 97.50 0.32 0.02 0.01 0.02 77 H H H 147.27 0.98 15.26 14.92 97.34 38.79 -76.97 -39.97 6.12 0.02 93.86 0.17 0.35 5.96 93.14 0.34 0.03 0.00 0.01 78 E H H 131.36 1.92 14.24 16.26 100.00 33.67 -85.38 -38.62 34.75 0.03 65.22 0.35 1.40 32.93 64.72 0.53 0.03 0.01 0.03 79 L C H 82.35 6.35 12.21 19.96 99.84 23.71 -103.66 -10.50 50.31 0.14 49.55 1.53 10.37 36.72 50.58 0.59 0.05 0.03 0.13 80 G C C 46.51 3.22 15.68 19.79 95.67 -117.93 75.79 15.13 99.48 0.36 0.16 80.10 16.92 2.48 0.04 0.12 0.00 0.18 0.16 81 M C C 71.92 9.38 12.16 22.73 117.66 134.81 -94.17 143.57 96.02 3.85 0.13 84.24 11.47 0.54 0.04 0.09 0.00 2.55 1.07 82 V C C 61.78 10.20 11.19 22.47 126.78 -106.80 -117.91 146.00 60.41 39.44 0.14 58.38 2.40 0.10 0.09 0.04 0.00 11.21 27.77 83 K C C 118.97 4.00 13.17 18.60 118.47 -123.54 -81.13 153.47 97.72 2.24 0.04 97.38 0.69 0.08 0.01 0.01 0.00 1.34 0.49 84 D C T 129.27 1.16 11.60 13.50 109.00 -83.43 -61.08 132.28 98.85 0.66 0.48 1.39 5.05 92.62 0.09 0.29 0.00 0.37 0.19 85 G C T 66.09 0.52 12.66 11.74 96.11 19.14 85.31 -2.30 99.19 0.41 0.39 1.86 4.10 93.33 0.05 0.30 0.00 0.31 0.05 86 E C C 89.93 7.10 8.24 17.23 117.78 129.99 -79.75 143.30 93.60 6.07 0.33 88.42 5.27 0.27 0.14 0.17 0.00 4.64 1.08 87 T C C 93.65 3.40 11.82 17.08 117.87 -140.76 -103.41 131.95 55.56 43.66 0.78 54.87 0.99 0.22 0.67 0.20 0.00 39.85 3.21 88 L E E 97.46 7.27 11.06 19.58 106.11 -168.12 -95.13 -10.89 41.57 55.51 2.92 37.66 2.83 0.54 2.24 0.64 0.00 54.65 1.44 89 Y E E 136.55 5.65 10.90 18.13 124.32 -0.90 -120.92 138.51 37.75 57.73 4.52 34.11 2.44 0.81 3.33 0.94 0.00 57.27 1.11 90 Q E E 120.58 3.81 11.50 17.34 119.55 -159.44 -113.74 130.07 38.12 56.70 5.17 35.37 1.77 0.70 4.00 0.98 0.00 55.80 1.37 91 L C C 108.72 5.23 10.28 17.16 112.70 -148.74 -91.44 127.55 53.84 39.50 6.66 47.38 3.68 1.48 5.07 1.51 0.01 39.08 1.79 92 A C C 73.39 4.66 8.80 15.18 115.58 -137.31 -93.24 135.09 70.73 22.49 6.78 55.54 9.93 4.29 4.53 2.35 0.01 21.30 2.04 93 K C C 160.77 1.62 10.20 13.00 113.40 -143.10 -92.71 130.03 85.05 9.39 5.56 54.16 19.88 11.18 2.84 2.80 0.01 7.55 1.59 94 G C C 57.86 2.16 10.47 13.93 111.83 -9.92 79.73 164.32 93.29 3.12 3.59 52.05 21.91 19.58 0.87 2.71 0.00 2.09 0.79 95 G C C 53.53 3.10 9.92 14.66 114.73 -120.75 -97.33 167.93 93.55 3.02 3.43 57.45 20.22 15.76 0.66 3.01 0.00 1.82 1.08 96 S C C 81.65 3.27 9.47 14.56 115.08 -108.50 -93.13 137.63 92.59 3.75 3.66 62.99 17.75 11.50 0.77 3.25 0.00 2.15 1.60 97 S C C 88.65 2.28 9.58 13.52 107.76 -137.02 -89.06 96.31 93.26 2.70 4.03 54.16 20.13 18.78 0.75 3.58 0.00 1.50 1.11 98 G C C 56.72 2.38 10.02 13.96 111.06 -112.68 -48.55 145.46 94.47 1.79 3.75 45.15 25.96 23.19 0.62 3.40 0.00 0.91 0.78 99 G C C 52.08 3.21 9.69 14.61 115.62 -145.57 -125.60 170.82 93.34 1.95 4.71 52.82 25.60 14.70 0.95 3.97 0.00 0.96 0.99 100 S C C 84.38 2.62 9.62 13.86 114.62 -102.87 -89.72 136.78 88.93 2.12 8.95 56.38 19.73 12.66 2.30 6.77 0.00 1.10 1.07 101 S C C 83.72 2.80 8.86 13.45 111.81 -132.20 -86.84 129.21 84.27 2.36 13.37 53.34 16.15 14.56 3.39 10.22 0.00 1.29 1.05 102 H C C 141.60 2.78 8.36 12.91 111.65 -154.75 -93.06 121.46 81.14 2.96 15.90 51.74 14.91 14.31 4.09 12.06 0.00 1.69 1.20 103 H C C 138.77 2.84 8.24 12.94 112.40 -157.96 -94.29 122.62 81.43 3.65 14.92 54.49 13.50 13.26 4.12 11.03 0.00 2.18 1.43 104 H C C 138.64 2.90 7.82 12.59 112.64 -158.46 -95.23 125.21 85.48 3.41 11.11 57.04 16.46 11.98 3.23 7.90 0.00 2.00 1.40 105 H C C 144.92 2.38 7.67 11.86 112.62 -150.43 -94.25 122.98 90.94 2.59 6.47 64.16 16.36 10.41 1.81 4.64 0.00 1.58 1.04 106 H C C 144.37 2.44 7.75 12.00 112.52 -152.17 -93.92 123.63 96.84 1.26 1.90 89.23 3.21 4.82 0.50 1.01 0.00 0.77 0.46 107 H C C 145.05 2.82 9.80 14.29 108.14 -138.56 -86.89 108.08 99.84 0.09 0.07 99.61 0.16 0.14 0.02 0.02 0.00 0.04 0.02