# 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 111.35 6.87 12.06 20.36 118.40 -158.15 -97.52 134.43 99.81 0.18 0.01 99.76 0.09 0.02 0.01 0.00 0.00 0.10 0.02 1 T C C 91.65 4.22 11.91 18.03 119.47 -150.71 -98.90 137.11 91.52 7.10 1.38 90.58 1.00 0.76 0.74 0.35 0.00 4.63 1.94 2 V C C 93.05 6.65 11.41 19.67 115.28 -126.36 -86.98 133.18 81.23 15.01 3.76 70.91 7.07 2.55 1.97 1.85 0.00 11.05 4.60 3 K C C 121.12 7.01 12.74 21.05 110.89 -150.05 -94.23 119.84 76.23 18.84 4.92 61.88 9.25 3.96 2.45 2.68 0.01 12.26 7.52 4 T C C 70.22 8.69 13.37 22.92 119.22 79.38 -112.59 144.21 75.94 15.67 8.39 49.47 16.10 10.61 3.76 4.61 0.03 10.10 5.32 5 G C C 44.62 6.92 16.27 23.73 101.36 -103.12 79.49 3.43 76.86 11.14 12.00 40.35 22.46 15.31 5.60 5.93 0.07 7.03 3.25 6 I C C 68.48 10.94 12.05 23.88 118.14 118.20 -95.50 137.79 65.34 16.85 17.82 39.87 15.19 10.30 10.54 7.37 0.22 10.06 6.45 7 A C C 60.94 7.19 14.16 22.47 106.83 -145.20 -81.45 54.33 60.46 18.97 20.58 34.68 13.35 12.85 11.25 9.11 0.28 11.68 6.80 8 I C T 99.55 6.15 13.08 20.49 121.41 -32.58 -115.76 137.09 62.00 14.27 23.73 17.13 18.30 27.81 10.78 11.32 0.95 8.19 5.53 9 G C T 45.79 4.16 14.80 19.84 109.18 16.44 79.45 -98.24 70.70 5.92 23.38 19.46 21.05 31.66 7.79 13.96 0.19 3.32 2.57 10 L C T 108.06 4.86 13.89 19.66 95.24 14.75 -73.92 -21.08 72.66 5.50 21.84 12.76 17.68 42.70 6.28 14.65 0.20 3.10 2.64 11 N C T 66.47 10.24 10.56 21.62 98.98 51.11 -98.09 11.08 75.98 7.27 16.75 20.19 16.03 40.22 4.24 12.15 0.09 4.06 3.01 12 K C T 136.74 4.44 11.48 18.32 109.31 136.29 -63.26 126.76 88.22 4.52 7.26 9.12 9.66 69.10 2.10 5.06 0.02 2.76 2.19 13 G C T 61.60 1.44 14.17 15.60 94.83 13.34 83.93 -0.33 93.38 2.56 4.06 8.38 13.40 71.38 0.67 3.56 0.00 2.02 0.59 14 K C C 102.85 6.59 10.72 19.22 118.92 119.24 -89.61 142.10 84.34 13.58 2.08 57.45 23.44 3.64 0.62 1.62 0.00 9.04 4.17 15 K C C 149.57 2.37 14.89 18.35 113.57 -110.50 -76.56 134.93 63.43 35.48 1.09 57.49 3.82 1.09 0.60 0.55 0.00 22.12 14.33 16 V C C 69.46 12.34 9.04 21.41 118.52 -154.06 -101.62 136.63 73.99 25.21 0.80 64.78 7.48 1.31 0.37 0.50 0.00 19.50 6.05 17 T C C 78.57 5.07 13.08 19.64 118.14 -143.92 -101.19 138.20 79.09 20.30 0.61 68.46 9.10 1.23 0.23 0.41 0.00 17.19 3.37 18 S C C 80.99 3.08 13.41 17.86 113.30 -106.63 -71.15 144.31 84.06 14.94 1.00 71.19 10.28 2.24 0.32 0.72 0.00 12.70 2.55 19 M C C 106.63 8.41 8.36 17.83 112.43 -120.74 -84.20 130.52 95.09 4.42 0.49 79.47 14.43 1.21 0.17 0.32 0.00 2.65 1.75 20 T C C 102.35 2.09 12.08 15.42 117.10 -154.78 -100.77 137.06 98.18 1.58 0.24 82.90 14.62 0.79 0.08 0.15 0.00 0.90 0.57 21 P C C 99.77 3.92 10.28 16.20 113.64 -105.14 -69.49 145.54 98.49 1.14 0.36 87.56 10.04 0.92 0.13 0.20 0.00 0.54 0.62 22 A C C 71.99 4.48 10.63 16.97 116.02 -108.87 -74.72 146.63 98.98 0.58 0.44 88.75 9.79 0.52 0.20 0.16 0.00 0.22 0.36 23 P C C 87.73 4.84 10.87 17.62 114.11 -102.69 -65.22 147.69 97.43 0.73 1.84 89.36 6.85 1.39 0.87 0.72 0.00 0.28 0.52 24 K C C 123.80 4.87 10.84 17.42 113.83 -112.69 -80.97 138.32 94.28 1.65 4.06 87.60 5.34 1.48 1.97 1.62 0.00 0.54 1.45 25 I C G 107.38 5.13 11.10 17.86 94.92 -124.10 -65.25 -30.08 51.85 1.47 46.68 26.88 8.62 16.16 7.49 39.43 0.00 0.79 0.63 26 S C G 67.48 5.54 11.32 18.32 97.59 62.56 -77.99 -11.41 49.90 1.27 48.82 18.94 9.57 21.55 7.97 40.72 0.00 0.70 0.55 27 Y C G 143.77 5.05 12.12 18.40 99.98 59.96 -94.48 8.24 51.66 1.69 46.64 25.48 12.59 14.14 8.57 37.59 0.01 0.87 0.76 28 K C C 108.45 6.96 10.58 19.07 114.89 103.31 -90.49 134.39 77.70 2.37 19.93 50.77 16.59 10.02 8.86 11.01 0.00 1.00 1.74 29 K C C 150.39 2.76 12.32 16.43 111.51 -141.18 -87.63 129.81 81.29 2.66 16.06 34.08 16.89 31.22 7.69 7.31 0.01 1.18 1.61 30 G C T 45.21 5.25 12.18 18.67 116.63 15.89 93.14 -168.39 82.78 1.61 15.62 25.44 22.89 35.34 5.81 8.79 0.01 0.72 1.01 31 A C C 68.42 5.36 11.86 18.62 111.49 -59.84 -82.74 135.14 81.31 3.05 15.64 52.89 15.80 12.33 7.10 8.51 0.00 1.37 2.01 32 A C C 68.84 6.50 11.00 18.90 105.90 -137.24 -80.43 83.13 84.52 2.67 12.81 57.36 16.85 10.01 7.20 5.60 0.00 1.14 1.84 33 S C C 52.92 5.19 11.72 18.44 122.51 -136.79 -98.60 161.91 88.65 2.01 9.34 59.32 24.83 4.23 7.23 2.22 0.00 0.62 1.56 34 N H H 127.31 1.50 13.20 15.20 93.04 -103.35 -62.85 -33.32 35.91 0.33 63.76 4.98 8.01 22.69 52.56 11.26 0.13 0.14 0.23 35 R H H 145.31 3.04 13.87 17.85 93.37 53.49 -69.48 -34.52 36.69 0.33 62.98 3.99 5.22 26.53 52.14 11.62 0.13 0.16 0.21 36 T H H 37.85 11.67 11.08 23.52 96.02 48.73 -74.35 -31.59 29.76 0.50 69.75 8.66 4.14 17.20 59.56 9.86 0.06 0.27 0.23 37 K H H 113.06 5.14 15.39 21.91 92.45 63.69 -62.77 -41.65 4.26 0.06 95.68 1.81 0.71 1.64 94.95 0.85 0.01 0.03 0.02 38 F H H 126.83 2.00 18.47 19.72 92.51 50.40 -65.00 -41.55 2.01 0.03 97.96 0.63 0.25 1.09 97.34 0.66 0.00 0.02 0.01 39 V H H 48.58 9.88 17.00 27.70 92.28 48.82 -65.58 -41.98 0.93 0.02 99.06 0.27 0.11 0.50 98.64 0.47 0.00 0.01 0.00 40 R H H 67.75 13.79 15.93 29.82 91.72 51.47 -63.57 -41.52 0.58 0.01 99.42 0.13 0.06 0.32 99.19 0.30 0.00 0.00 0.00 41 S H H 53.15 4.02 19.66 24.05 91.75 51.26 -64.30 -40.47 1.08 0.01 98.91 0.17 0.08 0.72 98.62 0.40 0.00 0.00 0.00 42 L H H 73.55 4.91 19.46 24.84 92.15 49.96 -65.29 -41.81 1.74 0.02 98.24 0.22 0.16 1.28 97.89 0.44 0.01 0.01 0.00 43 V H H 30.58 14.40 15.22 30.37 92.45 49.60 -65.72 -41.45 3.74 0.05 96.21 0.53 0.46 2.69 95.73 0.54 0.02 0.02 0.01 44 R H H 107.18 9.95 16.46 26.79 92.30 51.93 -64.81 -39.99 6.55 0.08 93.37 1.07 0.75 4.65 92.19 1.25 0.03 0.04 0.03 45 E H H 127.46 2.41 18.26 20.71 93.58 47.83 -69.77 -37.17 10.40 0.10 89.50 1.05 1.11 8.47 87.74 1.49 0.06 0.04 0.04 46 I H H 91.88 6.45 16.45 23.26 98.56 37.93 -84.03 -36.22 22.56 0.17 77.27 1.50 2.72 18.68 75.18 1.62 0.14 0.06 0.11 47 A H H 43.03 11.25 14.74 26.34 100.26 29.78 -94.51 -13.61 44.70 0.61 54.69 5.19 10.22 29.70 52.41 1.74 0.14 0.18 0.42 48 G C C 38.25 5.97 18.24 25.15 104.62 -114.62 84.83 8.21 95.42 0.85 3.73 36.07 28.23 31.45 1.99 1.43 0.00 0.37 0.45 49 L C C 57.74 13.39 14.65 28.29 120.71 99.10 -99.56 142.83 93.93 2.97 3.10 62.91 24.89 5.68 1.80 1.18 0.00 0.98 2.57 50 S C C 29.51 10.38 17.00 28.76 118.91 -119.71 -76.02 156.70 97.54 0.34 2.12 86.55 9.88 0.78 2.22 0.20 0.00 0.10 0.26 51 P H H 68.85 7.43 18.36 26.96 91.68 -111.20 -58.49 -36.72 10.67 0.04 89.28 1.95 1.71 6.78 88.18 1.33 0.02 0.01 0.03 52 Y H H 81.60 12.30 19.14 31.45 92.37 53.55 -65.29 -38.92 7.25 0.03 92.72 0.93 0.74 5.41 91.38 1.49 0.02 0.01 0.02 53 E H H 44.94 15.89 18.06 33.62 92.41 50.56 -65.78 -40.44 3.02 0.02 96.96 0.83 0.32 1.74 95.82 1.27 0.00 0.01 0.01 54 R H H 103.24 8.76 20.95 29.94 91.84 51.31 -64.47 -41.10 0.62 0.00 99.38 0.16 0.05 0.30 99.23 0.26 0.00 0.00 0.00 55 R H H 100.25 7.98 22.42 30.59 91.89 50.15 -64.91 -40.94 0.47 0.00 99.52 0.07 0.03 0.29 99.39 0.22 0.00 0.00 0.00 56 L H H 20.05 18.00 19.11 37.07 92.20 50.32 -64.72 -42.47 0.43 0.00 99.57 0.04 0.02 0.29 99.39 0.26 0.00 0.00 0.00 57 I H H 39.77 13.20 20.31 33.95 91.60 50.47 -63.63 -41.93 0.33 0.00 99.67 0.03 0.02 0.23 99.53 0.19 0.00 0.00 0.00 58 D H H 61.38 5.18 22.66 27.89 91.43 50.78 -63.80 -41.24 0.55 0.00 99.45 0.05 0.03 0.42 99.11 0.40 0.00 0.00 0.00 59 L H H 35.22 11.17 18.25 30.82 91.71 50.68 -64.40 -41.49 0.92 0.00 99.08 0.06 0.05 0.73 98.07 1.09 0.00 0.00 0.00 60 I H H 32.15 15.73 15.28 31.31 92.17 49.83 -65.70 -39.66 2.79 0.01 97.20 0.25 0.21 2.14 95.82 1.57 0.00 0.00 0.00 61 R H H 139.48 4.86 17.83 23.61 92.16 50.35 -67.49 -33.84 12.17 0.03 87.80 0.67 0.77 10.55 86.78 1.19 0.02 0.01 0.01 62 N H H 104.53 3.38 15.95 19.79 98.50 43.88 -92.19 -7.02 41.20 0.14 58.66 2.91 4.55 32.57 58.32 1.46 0.04 0.04 0.11 63 S C T 50.81 9.38 11.51 21.71 98.20 66.93 -85.16 -7.18 83.96 0.43 15.61 21.12 20.27 41.72 14.43 1.94 0.00 0.14 0.36 64 G C C 60.52 1.58 16.42 18.16 95.77 -126.28 74.05 10.64 98.11 0.30 1.59 40.50 24.56 33.23 0.61 0.80 0.00 0.13 0.18 65 E C C 68.22 10.40 10.71 22.56 108.21 134.33 -84.63 111.39 97.42 0.45 2.12 88.81 7.25 1.42 1.54 0.43 0.00 0.13 0.42 66 K H H 141.47 2.80 16.05 20.26 94.15 -168.94 -66.71 -34.53 11.05 0.05 88.90 4.46 2.86 3.41 88.44 0.78 0.00 0.02 0.02 67 R H H 132.03 3.22 19.42 22.74 91.96 54.28 -64.54 -41.18 3.14 0.01 96.85 0.62 0.39 1.90 96.37 0.70 0.01 0.00 0.00 68 A H H 10.77 17.01 14.51 32.29 91.86 50.11 -64.64 -42.14 1.36 0.01 98.63 0.38 0.14 0.72 97.98 0.77 0.00 0.01 0.00 69 R H H 73.20 13.55 17.24 30.84 91.59 51.80 -62.73 -41.79 0.56 0.00 99.44 0.15 0.06 0.27 99.20 0.32 0.00 0.00 0.00 70 K H H 114.90 2.10 24.07 24.48 91.85 50.14 -63.99 -42.18 0.54 0.01 99.45 0.12 0.05 0.28 99.41 0.14 0.00 0.00 0.00 71 V H H 39.57 7.92 20.68 29.88 91.68 49.31 -63.90 -42.69 0.62 0.01 99.37 0.10 0.05 0.36 99.32 0.16 0.00 0.00 0.00 72 A H H 4.69 20.38 13.55 34.72 91.23 50.89 -63.00 -42.61 0.71 0.00 99.28 0.12 0.07 0.40 99.32 0.10 0.00 0.00 0.00 73 K H H 95.01 8.51 17.35 26.65 91.78 50.94 -63.91 -40.26 0.69 0.00 99.31 0.09 0.05 0.42 99.32 0.13 0.00 0.00 0.00 74 K H H 152.01 1.12 19.52 18.99 92.16 49.49 -66.26 -38.91 1.09 0.00 98.90 0.05 0.05 0.89 98.77 0.23 0.00 0.00 0.00 75 R H H 118.89 6.79 16.94 24.59 97.19 38.54 -80.33 -38.02 3.37 0.00 96.62 0.07 0.14 3.18 96.32 0.28 0.01 0.00 0.00 76 L H H 49.70 12.56 12.54 25.72 101.66 25.89 -105.01 -16.41 10.92 0.03 89.06 0.49 1.36 8.69 89.17 0.25 0.02 0.01 0.02 77 G C S 49.93 2.28 17.60 19.97 98.89 -125.26 79.04 -4.52 99.43 0.19 0.37 32.21 60.37 6.93 0.17 0.14 0.00 0.07 0.12 78 S C S 47.32 3.38 18.29 22.06 135.95 22.62 -146.84 164.19 97.88 1.34 0.78 36.41 60.52 0.73 0.68 0.11 0.00 0.21 1.34 79 F H H 107.49 10.89 12.78 24.33 91.68 -106.46 -61.53 -36.34 5.14 0.01 94.85 0.72 2.20 2.00 94.72 0.34 0.00 0.00 0.01 80 T H H 99.02 1.34 19.24 19.24 91.57 52.95 -63.25 -41.83 1.77 0.00 98.23 0.14 0.19 1.27 98.08 0.32 0.00 0.00 0.00 81 R H H 109.11 4.17 19.29 23.89 92.05 47.18 -65.96 -39.76 0.57 0.00 99.43 0.08 0.05 0.37 99.16 0.34 0.00 0.00 0.00 82 A H H 6.63 18.58 12.34 31.75 91.09 52.14 -62.27 -43.13 0.20 0.00 99.80 0.03 0.01 0.11 99.74 0.11 0.00 0.00 0.00 83 K H H 104.00 6.22 20.81 27.74 91.72 50.80 -63.46 -41.45 0.13 0.00 99.87 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 84 A H H 56.65 2.14 22.65 23.09 91.44 49.99 -63.79 -42.51 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 85 K H H 64.71 11.17 19.55 31.14 92.21 49.09 -65.62 -40.79 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 86 V H H 23.36 16.88 16.39 33.51 91.76 50.47 -63.39 -42.40 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 87 E H H 108.05 2.40 22.84 24.12 91.38 50.18 -63.49 -41.80 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 88 E H H 99.46 3.20 21.74 24.46 91.61 49.45 -64.74 -41.62 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 89 M H H 27.89 16.00 16.22 32.84 92.06 50.16 -64.99 -40.99 0.19 0.00 99.81 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 90 N H H 69.89 8.59 19.00 28.27 91.46 52.27 -63.35 -40.20 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 91 N H H 98.09 1.86 21.43 21.81 92.06 50.16 -65.48 -40.32 0.29 0.00 99.71 0.02 0.01 0.19 99.74 0.03 0.00 0.00 0.00 92 I H H 62.34 7.19 18.59 26.92 92.15 49.58 -64.90 -42.78 0.26 0.00 99.74 0.03 0.02 0.16 99.74 0.05 0.00 0.00 0.00 93 I H H 42.88 10.71 15.85 27.94 92.01 48.89 -64.33 -42.42 0.34 0.00 99.65 0.05 0.02 0.20 99.65 0.08 0.00 0.00 0.00 94 A H H 49.93 3.22 16.76 20.71 91.55 50.69 -63.37 -41.01 0.67 0.00 99.33 0.08 0.04 0.42 99.28 0.18 0.00 0.00 0.00 95 A H H 55.51 2.54 15.09 18.16 91.87 51.03 -65.04 -39.47 2.24 0.00 97.75 0.22 0.14 1.61 97.41 0.62 0.00 0.00 0.00 96 S H H 51.77 6.06 11.73 19.51 92.56 51.94 -67.21 -34.89 8.63 0.02 91.36 0.74 0.59 6.72 90.75 1.18 0.01 0.00 0.01 97 R H H 152.03 3.05 11.04 15.56 93.43 54.09 -70.43 -26.83 30.05 0.15 69.79 4.11 3.04 22.61 68.41 1.64 0.03 0.05 0.10 98 R C H 175.97 1.21 10.49 12.16 97.23 57.84 -78.61 -12.30 62.00 0.46 37.54 28.51 1.65 29.56 38.18 1.64 0.00 0.17 0.29 99 H C C 137.01 2.97 10.26 14.91 105.69 88.29 -83.32 69.86 99.94 0.03 0.04 99.80 0.08 0.08 0.02 0.00 0.00 0.01 0.00