# 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 118.45 5.15 12.20 18.60 115.50 -155.26 -93.91 131.60 99.94 0.04 0.02 99.79 0.14 0.03 0.01 0.00 0.00 0.02 0.01 1 V C C 88.42 6.41 8.90 16.83 114.37 -117.98 -78.85 140.43 93.03 0.74 6.23 91.78 0.51 1.60 4.93 0.52 0.00 0.28 0.37 2 K C C 141.44 2.87 10.72 15.25 112.11 -112.66 -78.44 140.59 83.82 2.25 13.93 71.95 6.64 4.84 11.73 2.54 0.00 1.06 1.25 3 K C C 141.94 3.75 9.88 15.49 111.85 -116.13 -83.05 127.98 73.41 2.68 23.92 57.18 10.27 5.39 20.49 4.15 0.00 1.45 1.06 4 I C C 97.51 6.37 9.48 17.43 115.08 -156.24 -95.85 134.92 64.45 2.92 32.63 51.83 7.50 4.76 29.05 4.19 0.00 1.74 0.91 5 Q C C 117.34 3.92 11.62 17.08 111.50 -136.57 -84.97 131.12 61.46 2.11 36.43 50.75 5.76 4.54 33.56 3.53 0.00 1.22 0.63 6 E C C 109.15 5.62 11.27 18.38 109.51 -132.85 -87.15 134.06 55.83 1.16 43.01 45.13 5.43 4.46 41.60 2.43 0.00 0.60 0.35 7 S H H 56.28 4.83 12.42 18.59 111.80 -127.60 -79.00 149.51 42.69 0.63 56.68 33.26 5.01 3.99 55.50 1.75 0.00 0.28 0.20 8 K H H 128.42 4.33 13.18 18.56 94.53 -91.02 -65.34 -35.90 13.43 0.29 86.29 8.63 2.47 3.27 83.63 1.76 0.00 0.14 0.09 9 E H H 107.26 3.70 14.24 19.05 92.99 53.51 -65.91 -39.42 9.42 0.27 90.31 5.80 1.56 2.83 87.75 1.83 0.00 0.15 0.07 10 K H H 103.13 4.16 14.78 20.10 92.84 51.26 -65.88 -40.08 7.84 0.25 91.91 4.77 1.27 2.50 89.33 1.90 0.00 0.15 0.07 11 K H H 104.83 4.55 15.59 21.19 92.57 51.19 -65.69 -39.54 7.64 0.25 92.11 4.37 1.18 2.60 89.92 1.70 0.00 0.15 0.07 12 A H H 48.06 5.28 14.89 21.71 92.52 51.91 -65.27 -39.86 9.49 0.28 90.23 4.97 1.36 3.50 88.03 1.87 0.01 0.17 0.08 13 L H H 87.55 4.25 15.84 21.09 92.83 51.37 -66.14 -38.94 14.19 0.41 85.39 6.89 2.34 5.59 82.56 2.23 0.02 0.23 0.14 14 K H H 115.77 3.80 15.92 20.59 93.29 51.67 -66.97 -36.75 22.50 0.57 76.93 11.18 3.51 8.32 74.21 2.25 0.02 0.28 0.23 15 A H H 57.33 5.43 14.31 21.08 94.19 54.03 -68.34 -32.37 35.83 0.71 63.46 19.17 5.42 11.63 60.79 2.35 0.01 0.32 0.32 16 A C H 65.61 4.97 13.53 19.79 96.41 58.49 -75.24 -22.58 51.85 0.97 47.17 27.06 8.30 16.60 44.32 2.83 0.02 0.41 0.47 17 S C C 72.57 3.89 12.69 17.94 102.93 72.54 -82.14 1.53 67.96 0.93 31.10 28.98 14.82 24.05 27.61 3.65 0.01 0.37 0.51 18 G C C 44.89 4.52 12.16 18.11 108.87 52.56 -33.44 26.59 78.63 0.96 20.41 36.18 19.95 22.85 14.82 5.21 0.01 0.38 0.60 19 T C C 84.94 4.34 11.48 17.25 106.42 53.58 -83.45 69.53 77.18 1.36 21.46 47.23 16.53 13.31 14.28 7.20 0.00 0.58 0.85 20 R C C 146.43 4.16 11.06 16.81 102.95 53.92 -78.66 -0.86 71.89 1.58 26.54 42.95 15.59 13.47 16.68 9.68 0.00 0.67 0.95 21 K C C 129.59 4.08 11.25 16.84 103.23 81.65 -79.58 15.12 68.66 1.26 30.08 37.89 16.33 14.65 17.51 12.32 0.01 0.54 0.76 22 D C C 97.29 3.80 11.92 17.08 105.06 65.11 -82.41 53.55 70.54 1.26 28.20 43.42 14.38 12.60 16.31 11.99 0.00 0.57 0.72 23 K C C 124.92 5.45 11.15 18.13 106.39 122.70 -82.96 77.67 72.57 1.68 25.75 49.08 13.43 9.96 16.15 9.68 0.00 0.78 0.93 24 K C C 121.57 5.42 11.65 18.61 111.38 -138.54 -83.66 124.92 77.70 2.33 19.97 57.26 11.78 8.42 12.70 7.49 0.00 1.23 1.12 25 K C C 130.85 4.38 13.18 19.00 109.21 -123.71 -86.61 116.28 78.63 4.64 16.73 58.28 11.27 8.54 10.46 6.69 0.00 2.59 2.16 26 W C C 123.85 9.95 10.74 21.25 108.58 -136.01 -86.52 113.19 79.24 4.93 15.83 50.19 14.32 14.58 9.33 6.61 0.01 2.65 2.32 27 G C C 41.89 6.62 12.14 19.85 111.90 83.32 -92.00 146.55 83.93 3.46 12.61 51.37 16.34 16.25 7.21 5.42 0.00 1.89 1.52 28 D C C 108.28 3.00 12.01 16.41 106.96 -127.70 -91.45 57.86 80.35 2.45 17.20 38.72 26.34 15.51 11.95 5.13 0.01 1.08 1.25 29 G C C 44.78 4.37 11.92 17.62 111.39 43.54 42.92 -140.78 70.21 1.51 28.29 29.48 26.23 15.12 21.63 6.09 0.02 0.63 0.81 30 R C H 155.89 3.18 12.92 17.24 101.94 4.01 -76.70 -8.99 54.15 1.95 43.90 30.06 14.18 10.99 36.97 6.06 0.03 1.01 0.72 31 K H H 108.66 6.44 12.87 20.45 99.79 58.39 -73.55 -27.13 46.93 1.94 51.13 32.50 7.42 7.94 45.16 5.24 0.01 1.08 0.66 32 K H H 97.56 8.18 13.21 22.43 96.57 65.75 -68.47 -35.95 22.85 1.03 76.12 15.37 4.14 5.29 67.77 6.50 0.01 0.63 0.30 33 E H H 99.81 4.92 15.85 21.73 94.47 56.02 -67.02 -37.68 16.03 1.06 82.91 9.21 2.78 5.29 72.74 8.95 0.03 0.76 0.24 34 E H H 84.31 8.09 16.02 25.11 93.54 54.15 -67.54 -36.83 13.92 1.29 84.79 7.21 2.30 5.16 73.30 10.76 0.03 0.98 0.25 35 V H H 44.05 13.70 14.44 28.40 93.52 53.21 -68.95 -35.79 14.83 0.96 84.20 6.66 2.44 6.05 71.00 12.90 0.04 0.68 0.24 36 R H H 130.06 7.28 18.53 26.62 92.96 59.49 -69.81 -24.13 30.52 0.89 68.58 6.10 3.90 20.34 57.74 10.85 0.14 0.57 0.35 37 R C T 118.91 8.39 18.53 27.42 97.48 50.22 -93.60 4.50 54.63 0.94 44.43 7.88 6.70 39.02 35.66 9.60 0.11 0.51 0.50 38 A C C 37.15 14.19 16.45 30.90 116.17 110.37 -79.91 139.52 78.96 10.38 10.66 45.90 26.20 7.19 7.98 3.07 0.05 5.37 4.23 39 V C C 36.40 17.93 16.73 34.12 113.58 -130.22 -95.36 124.85 71.56 23.14 5.30 57.62 8.41 4.27 3.66 2.11 0.02 17.95 5.95 40 T C C 69.72 9.29 22.13 31.43 115.10 -157.06 -101.38 121.64 72.53 25.47 2.00 59.32 10.28 1.91 1.39 0.88 0.00 19.21 7.00 41 V C C 19.47 21.50 11.23 31.77 122.30 70.63 -111.16 139.90 83.53 15.98 0.49 73.37 10.23 0.34 0.42 0.15 0.00 11.08 4.40 42 S C C 55.66 3.47 19.77 22.98 119.27 -113.75 -75.99 160.40 98.72 1.09 0.19 98.24 0.58 0.07 0.15 0.01 0.00 0.76 0.19 43 E H H 136.21 3.91 13.68 19.70 91.46 -106.58 -58.75 -38.25 1.02 0.00 98.98 0.12 0.10 0.60 98.96 0.21 0.00 0.00 0.00 44 E H H 136.32 1.10 18.19 17.70 91.68 52.95 -64.88 -40.18 0.56 0.00 99.44 0.05 0.03 0.39 99.25 0.27 0.00 0.00 0.00 45 L H H 32.74 13.34 15.45 29.73 91.99 48.44 -65.86 -40.83 0.20 0.00 99.80 0.03 0.01 0.12 99.64 0.21 0.00 0.00 0.00 46 L H H 22.58 18.51 14.77 33.27 91.38 52.10 -62.20 -42.62 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.03 0.00 0.00 0.00 47 A H H 53.32 3.14 21.81 24.51 91.08 50.79 -62.99 -41.42 0.16 0.00 99.84 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 48 K H H 93.12 4.85 22.14 27.12 91.69 50.07 -64.61 -41.65 0.34 0.00 99.66 0.01 0.01 0.27 99.66 0.04 0.00 0.00 0.00 49 V H H 4.37 24.22 15.93 40.41 91.66 49.85 -63.46 -43.00 0.28 0.00 99.72 0.02 0.01 0.19 99.69 0.08 0.00 0.00 0.00 50 R H H 91.26 14.51 20.00 33.58 91.38 51.55 -62.13 -40.43 0.50 0.00 99.49 0.04 0.02 0.37 99.29 0.27 0.00 0.00 0.00 51 K H H 136.56 1.61 23.88 23.89 91.64 50.16 -66.12 -39.73 2.87 0.00 97.12 0.10 0.11 2.69 96.21 0.88 0.00 0.00 0.00 52 D H H 43.31 11.06 19.85 31.49 94.22 45.95 -72.43 -35.74 8.03 0.02 91.95 0.29 0.38 7.52 90.55 1.22 0.02 0.01 0.01 53 V H H 5.32 25.06 13.56 38.52 93.33 51.94 -70.67 -30.54 20.75 0.16 79.09 3.17 2.06 14.04 60.34 20.16 0.06 0.08 0.10 54 G C T 36.50 10.33 18.42 29.10 92.11 69.97 -65.09 -23.96 54.84 0.12 45.04 1.90 1.83 51.73 24.07 20.29 0.01 0.06 0.11 55 R C T 169.96 1.89 20.84 22.17 95.78 48.04 -92.21 -4.59 67.58 0.13 32.29 1.70 3.48 63.71 10.18 20.71 0.01 0.06 0.14 56 A C C 23.82 18.69 11.21 29.18 119.19 97.49 -85.42 144.01 97.34 1.22 1.44 68.59 27.05 1.69 0.64 0.66 0.00 0.41 0.95 57 S C S 67.30 5.68 21.61 28.14 95.38 -146.09 -75.74 -30.20 98.65 1.21 0.14 5.36 90.22 3.32 0.02 0.09 0.00 0.81 0.17 58 V E E 41.01 13.45 21.59 35.29 130.73 21.77 -135.80 139.98 28.24 71.23 0.53 10.71 16.42 3.23 0.20 0.38 0.02 64.39 4.65 59 V E E 7.87 24.07 19.08 43.17 120.52 -167.27 -118.38 127.81 19.73 79.92 0.35 15.61 3.49 0.20 0.30 0.15 0.00 65.81 14.43 60 T C C 25.95 12.41 26.82 39.68 129.28 -147.45 -108.47 163.05 76.39 23.40 0.21 76.01 1.61 0.09 0.18 0.04 0.00 21.04 1.02 61 R H H 41.32 21.30 18.98 39.59 91.88 -108.07 -59.36 -37.69 3.64 0.02 96.34 0.19 0.34 3.20 94.89 1.35 0.02 0.01 0.01 62 Y H H 111.57 8.04 23.94 32.26 91.82 54.67 -64.11 -41.05 2.33 0.02 97.66 0.13 0.16 2.06 96.28 1.34 0.01 0.01 0.00 63 M H H 46.63 10.36 23.20 34.25 92.03 48.56 -65.22 -41.90 1.71 0.04 98.25 0.19 0.16 1.32 96.42 1.84 0.01 0.03 0.01 64 I H H 3.41 24.51 17.93 42.72 92.26 48.23 -65.44 -43.10 1.70 0.07 98.22 0.26 0.24 1.21 97.62 0.59 0.02 0.03 0.02 65 G H H 6.90 16.60 16.33 33.87 91.66 51.28 -62.83 -42.94 2.89 0.10 97.02 0.46 0.44 1.98 96.13 0.86 0.04 0.04 0.04 66 S H H 76.05 2.22 21.24 22.89 92.42 48.43 -65.91 -40.88 2.94 0.02 97.04 0.26 0.23 2.34 95.38 1.75 0.02 0.01 0.01 67 R H H 114.17 8.39 18.41 27.38 92.67 48.12 -68.02 -36.72 5.19 0.02 94.79 0.22 0.40 4.55 93.37 1.41 0.03 0.01 0.01 68 Y H H 46.46 16.35 13.97 30.66 97.69 33.15 -100.91 2.33 24.48 0.08 75.44 0.92 2.38 21.35 73.79 1.43 0.05 0.02 0.06 69 N C T 132.14 1.42 20.46 21.24 93.39 -123.49 57.12 41.37 99.77 0.02 0.22 8.65 2.68 88.52 0.09 0.05 0.00 0.01 0.00 70 L C C 28.19 18.96 11.06 29.51 129.87 140.35 -119.62 154.59 98.48 1.39 0.13 87.51 10.48 0.24 0.08 0.04 0.00 0.42 1.23 71 N C C 89.03 3.25 23.60 25.95 119.20 -106.30 -76.60 157.23 99.25 0.62 0.13 98.70 0.60 0.06 0.09 0.01 0.00 0.14 0.40 72 L H H 65.90 16.73 14.66 30.65 91.93 -110.62 -58.91 -37.46 5.11 0.01 94.88 0.36 0.57 3.87 94.35 0.82 0.01 0.00 0.01 73 G H H 38.17 3.72 23.78 27.26 91.48 56.16 -63.15 -40.53 3.80 0.01 96.19 0.26 0.28 3.02 95.29 1.13 0.01 0.00 0.00 74 V H H 32.07 12.11 22.16 34.86 91.77 49.66 -65.57 -41.59 1.24 0.00 98.76 0.21 0.11 0.79 97.95 0.93 0.01 0.00 0.00 75 A H H 1.07 26.96 16.72 44.62 90.85 51.37 -62.85 -43.75 0.21 0.00 99.79 0.04 0.01 0.11 99.74 0.10 0.00 0.00 0.00 76 E H H 68.34 13.09 24.32 36.75 91.39 51.17 -62.47 -42.33 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 77 N H H 73.44 4.14 27.67 31.88 91.46 50.02 -63.94 -42.35 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 78 V H H 6.83 20.69 22.47 43.12 91.62 49.66 -63.91 -43.79 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 79 L H H 2.02 26.84 20.07 47.27 91.23 49.88 -63.77 -42.36 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 80 R H H 116.74 6.33 25.33 32.12 91.41 51.23 -62.87 -42.21 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 81 H H H 74.08 6.37 23.99 30.81 91.67 49.33 -64.16 -41.98 0.13 0.00 99.87 0.00 0.00 0.09 99.87 0.03 0.00 0.00 0.00 82 L H H 4.71 22.76 16.40 39.68 91.79 49.62 -64.10 -42.73 0.22 0.00 99.78 0.02 0.01 0.13 99.69 0.14 0.00 0.00 0.00 83 S H H 32.88 15.19 16.45 31.40 91.91 50.86 -63.38 -41.54 0.43 0.00 99.57 0.03 0.01 0.32 99.25 0.38 0.00 0.00 0.00 84 N H H 127.79 1.08 19.79 19.51 90.58 51.87 -64.53 -30.68 3.92 0.00 96.07 0.06 0.07 4.15 95.17 0.55 0.00 0.00 0.00 85 E C T 103.30 6.06 16.20 23.49 92.20 52.65 -85.24 -5.12 86.44 0.01 13.56 0.07 0.46 86.29 12.91 0.26 0.00 0.00 0.01 86 G C T 41.26 5.58 19.45 26.06 94.82 -111.85 82.62 13.09 99.91 0.00 0.09 0.11 0.77 99.09 0.03 0.01 0.00 0.00 0.00 87 V C S 19.66 17.86 17.19 35.71 95.43 119.65 -80.29 -27.50 99.66 0.33 0.01 6.68 92.60 0.48 0.00 0.00 0.00 0.20 0.03 88 V E E 2.41 26.08 14.30 41.64 132.86 27.84 -134.48 147.90 14.47 85.52 0.01 7.69 7.65 0.12 0.00 0.01 0.00 83.88 0.64 89 Q E E 82.05 6.82 26.14 33.47 125.44 -157.32 -121.60 138.57 1.17 98.83 0.00 1.06 0.05 0.00 0.00 0.00 0.00 98.87 0.03 90 Q E E 72.55 16.17 17.13 32.68 110.17 -115.07 -74.78 125.07 0.59 99.41 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.01 91 V E E 50.92 11.69 17.93 30.53 101.33 176.60 -95.68 -33.02 2.02 97.97 0.01 1.41 0.28 0.03 0.00 0.00 0.00 98.26 0.01 92 L E E 69.85 6.67 20.61 28.17 138.52 -2.33 -152.95 151.65 1.57 98.42 0.02 1.12 0.28 0.04 0.00 0.01 0.00 98.53 0.03 93 G E E 34.26 14.20 11.87 25.80 133.18 -171.27 -146.90 153.69 10.74 89.19 0.06 8.88 1.14 0.21 0.01 0.04 0.00 89.59 0.13 94 N C C 79.81 5.12 14.86 21.25 130.20 168.08 -135.31 159.79 72.59 27.30 0.12 65.81 4.69 0.42 0.02 0.11 0.00 28.25 0.69 95 R C S 189.68 1.44 14.04 15.58 98.20 -59.22 -27.98 -54.24 98.66 0.66 0.68 3.00 64.32 31.48 0.04 0.59 0.00 0.45 0.13 96 R C S 167.50 3.64 14.44 18.61 99.57 5.79 -100.20 -3.27 98.63 0.75 0.62 3.39 61.87 33.46 0.03 0.58 0.00 0.56 0.11 97 M E E 55.14 12.92 13.99 27.85 125.31 72.85 -120.47 136.68 40.28 59.51 0.21 31.23 7.34 1.06 0.03 0.19 0.00 59.64 0.51 98 T E E 31.83 13.89 19.20 33.93 121.54 -159.28 -111.71 134.74 5.55 94.44 0.01 5.46 0.15 0.01 0.00 0.00 0.00 94.29 0.08 99 I E E 15.81 17.77 22.41 40.65 121.29 -163.03 -115.57 130.40 0.41 99.59 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.60 0.01 100 Y E E 14.54 21.53 22.06 43.37 123.18 -161.69 -112.17 136.82 0.32 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.67 0.01 101 A E E 15.38 15.90 24.15 40.00 133.21 175.35 -133.65 152.45 4.85 95.12 0.03 4.52 0.22 0.02 0.02 0.01 0.00 95.06 0.16 102 G E E 14.51 15.42 21.23 36.34 118.45 -104.90 -73.93 156.81 39.01 60.49 0.50 33.63 4.53 0.56 0.23 0.25 0.00 60.05 0.75 103 C C C 28.06 17.23 15.92 32.86 112.60 -109.29 -76.62 146.68 77.83 10.79 11.38 63.41 9.54 4.93 5.77 5.48 0.00 9.18 1.68 104 R C C 140.35 5.12 18.62 24.36 102.95 -140.24 -83.72 -12.84 64.54 3.11 32.34 38.54 14.91 11.56 14.04 17.98 0.02 1.68 1.27 105 A C C 62.49 6.59 13.34 21.05 100.10 30.80 -75.04 -19.66 57.12 1.85 41.03 25.88 15.03 17.29 14.15 25.84 0.03 0.92 0.87 106 Q C C 116.74 5.06 11.10 17.64 101.13 57.38 -81.00 -5.72 56.87 2.27 40.86 30.20 12.25 15.50 13.77 26.12 0.02 1.19 0.95 107 E C C 124.44 4.27 9.85 15.85 104.60 76.14 -85.32 34.98 69.29 1.73 28.98 57.16 2.66 11.99 12.06 14.30 0.00 0.99 0.83 108 Q C C 122.90 4.11 11.58 17.39 107.83 75.99 -86.75 102.26 99.81 0.05 0.14 99.60 0.13 0.16 0.08 0.01 0.00 0.02 0.01