# 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 116.69 5.63 12.75 19.65 116.29 -155.20 -93.11 136.84 99.84 0.12 0.04 99.70 0.13 0.08 0.02 0.00 0.00 0.06 0.02 1 S C C 79.76 3.65 11.69 17.15 117.07 -136.65 -92.11 138.16 94.41 4.20 1.38 91.24 2.03 1.22 1.04 0.26 0.00 1.65 2.56 2 V C C 60.54 10.92 8.45 20.02 117.09 -131.23 -93.66 136.21 95.76 2.37 1.87 75.14 19.83 0.70 1.92 0.22 0.00 0.90 1.28 3 P C C 71.39 3.38 14.52 18.95 112.85 -105.71 -64.83 146.75 95.49 1.15 3.36 94.30 0.96 0.54 3.12 0.20 0.00 0.44 0.43 4 R H H 151.83 4.36 11.64 17.98 92.41 -116.91 -59.66 -37.53 4.87 0.03 95.10 2.04 0.75 2.00 94.44 0.74 0.00 0.01 0.01 5 A H H 68.94 1.92 14.97 16.86 92.14 54.99 -64.36 -39.30 1.75 0.01 98.24 0.46 0.20 0.93 97.80 0.60 0.00 0.00 0.00 6 R H H 102.01 6.25 14.72 22.17 92.09 50.18 -66.15 -39.35 0.61 0.00 99.38 0.21 0.07 0.29 98.92 0.51 0.00 0.00 0.00 7 L H H 53.33 10.48 13.76 25.41 91.82 51.31 -63.96 -41.50 0.23 0.00 99.76 0.06 0.02 0.11 99.69 0.12 0.00 0.00 0.00 8 L H H 85.29 3.49 17.89 21.68 91.58 50.40 -63.88 -41.03 0.15 0.00 99.85 0.03 0.01 0.08 99.85 0.04 0.00 0.00 0.00 9 Q H H 97.34 3.39 19.02 22.47 91.95 50.22 -64.98 -40.85 0.15 0.00 99.85 0.02 0.00 0.08 99.87 0.02 0.00 0.00 0.00 10 L H H 49.68 11.40 16.85 28.94 91.90 50.73 -64.25 -41.49 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 11 V H H 56.38 9.38 18.62 28.72 91.62 51.15 -63.69 -41.08 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 12 K H H 112.28 3.44 21.10 24.54 91.93 50.58 -64.58 -41.08 0.27 0.00 99.73 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 13 A H H 35.25 7.74 18.88 27.73 91.73 50.77 -64.39 -41.94 0.37 0.00 99.63 0.05 0.02 0.22 99.65 0.06 0.00 0.00 0.00 14 R H H 79.51 11.93 18.34 30.30 92.03 51.08 -64.43 -40.92 0.40 0.00 99.59 0.05 0.02 0.25 99.57 0.11 0.00 0.00 0.00 15 C H H 37.90 8.71 16.51 26.78 91.85 51.09 -64.34 -39.71 0.58 0.00 99.42 0.08 0.03 0.37 99.14 0.38 0.00 0.00 0.00 16 E H H 116.86 3.36 19.78 23.37 92.28 51.17 -66.21 -39.32 1.02 0.00 98.97 0.06 0.04 0.86 98.56 0.47 0.00 0.00 0.00 17 L H H 65.05 10.50 16.48 27.13 93.98 47.60 -72.23 -38.53 2.78 0.01 97.21 0.09 0.13 2.56 96.81 0.40 0.00 0.00 0.00 18 F H H 72.00 11.17 14.29 26.27 99.70 33.63 -97.88 -0.67 22.00 0.12 77.88 1.66 2.94 17.18 77.35 0.69 0.05 0.03 0.09 19 S C T 77.72 4.55 15.70 21.40 97.50 -131.36 54.82 35.20 97.24 0.44 2.32 26.25 18.22 53.03 1.37 0.71 0.00 0.19 0.23 20 T C S 67.83 6.70 13.88 21.90 106.49 108.63 -109.76 4.53 95.77 2.06 2.18 28.62 56.34 10.77 1.00 1.15 0.00 0.85 1.26 21 T C S 77.61 6.69 14.47 22.18 105.37 34.94 -94.79 10.10 95.51 2.52 1.97 42.70 42.72 10.13 0.75 1.26 0.00 1.27 1.17 22 F C C 101.83 8.57 13.25 22.82 111.95 87.09 -94.04 111.45 90.32 7.52 2.16 48.49 36.75 4.97 0.99 1.09 0.00 2.83 4.88 23 N C C 58.10 8.87 11.38 21.80 108.26 39.21 -115.95 87.76 95.02 4.52 0.46 80.20 13.38 1.06 0.22 0.23 0.00 1.97 2.94 24 P C T 84.10 6.22 11.24 19.39 94.05 -174.38 -65.88 -21.85 93.81 0.47 5.72 14.02 18.03 61.68 1.48 4.29 0.00 0.26 0.23 25 E C T 145.82 1.29 13.73 14.70 95.01 52.69 -89.01 -1.25 92.48 0.62 6.90 6.34 22.27 64.13 1.93 4.66 0.00 0.31 0.35 26 G C S 46.80 5.45 11.69 18.83 96.44 -111.09 74.80 14.88 89.85 2.24 7.91 29.75 49.66 10.90 2.32 4.86 0.00 0.90 1.61 27 I C C 96.01 4.68 13.69 19.82 112.99 134.61 -96.15 123.70 87.45 3.62 8.93 64.59 15.85 6.49 5.88 3.06 0.00 1.58 2.56 28 R C C 114.20 10.00 12.49 23.12 111.62 -137.07 -87.95 124.81 82.22 6.77 11.00 63.34 11.54 6.17 8.27 3.09 0.01 2.95 4.64 29 T C C 64.01 7.47 15.75 24.18 108.05 159.48 -100.13 37.93 79.48 3.40 17.12 60.36 12.14 5.66 16.22 2.22 0.00 1.40 1.99 30 G H H 28.62 11.06 14.57 25.89 98.50 -111.41 -8.29 -26.82 42.89 1.13 55.98 22.54 12.94 9.10 51.50 2.90 0.03 0.45 0.53 31 N H H 73.84 7.30 14.58 23.01 93.90 70.27 -66.37 -36.21 15.48 0.41 84.10 8.17 3.09 5.47 77.92 4.95 0.02 0.23 0.14 32 K H H 115.29 3.72 16.16 20.62 92.98 55.53 -66.23 -38.43 7.53 0.34 92.13 3.04 1.37 3.61 83.55 8.07 0.03 0.24 0.08 33 I H H 65.05 9.59 13.92 24.48 93.25 51.18 -67.06 -39.65 5.92 0.26 93.82 1.63 0.92 3.44 85.14 8.59 0.03 0.19 0.05 34 L H H 75.70 10.03 12.75 23.45 93.37 54.06 -72.92 -25.48 13.72 0.29 85.99 2.45 1.93 9.53 78.84 6.88 0.09 0.16 0.11 35 R H H 155.35 3.18 15.12 19.20 96.04 57.00 -85.39 -7.36 47.10 0.55 52.35 7.72 7.14 32.68 46.68 5.06 0.12 0.24 0.36 36 Q C C 91.23 6.86 12.29 20.82 116.87 103.11 -81.19 144.93 72.60 0.96 26.43 33.70 27.14 12.35 19.97 5.81 0.01 0.34 0.66 37 R C C 149.64 4.31 14.79 20.57 112.82 -105.34 -74.91 139.59 74.22 1.72 24.07 54.94 8.01 10.84 14.97 9.30 0.00 0.79 1.16 38 L C C 71.56 12.85 9.53 22.36 109.12 -117.38 -80.70 121.04 81.17 1.53 17.31 62.61 8.23 10.11 10.33 6.97 0.00 0.70 1.05 39 K C C 134.07 3.29 13.14 18.06 123.60 158.73 -118.86 148.30 85.42 1.87 12.71 48.61 27.93 8.73 9.13 3.36 0.00 0.60 1.64 40 G C S 41.93 2.83 14.81 18.35 124.57 19.00 89.74 -167.03 74.47 0.64 24.89 18.88 46.61 8.16 23.36 2.31 0.02 0.17 0.50 41 P H H 99.22 2.35 13.89 16.80 94.28 -32.64 -66.13 -30.26 19.30 0.18 80.52 3.46 2.82 12.21 66.58 14.68 0.07 0.09 0.10 42 A H H 49.21 5.34 12.96 20.07 92.20 57.64 -65.02 -37.21 10.98 0.13 88.89 1.46 1.10 7.37 72.88 17.02 0.04 0.08 0.04 43 L H H 52.66 10.96 11.71 23.70 92.84 52.17 -66.53 -35.87 4.65 0.06 95.29 0.70 0.46 2.99 76.61 19.19 0.01 0.04 0.01 44 A H H 53.60 6.76 13.16 21.47 92.18 58.01 -66.56 -29.24 7.03 0.06 92.91 0.79 0.59 4.85 70.12 23.58 0.01 0.04 0.02 45 T H H 99.27 2.09 16.14 18.33 94.14 58.30 -76.38 -16.87 35.34 0.14 64.52 1.57 1.93 30.02 41.79 24.47 0.05 0.07 0.10 46 Y C T 109.94 8.41 12.84 22.17 97.40 62.31 -88.04 -9.01 56.25 0.57 43.18 7.09 8.23 39.54 25.43 18.84 0.10 0.26 0.53 47 Y C S 92.84 10.88 10.07 21.85 118.16 83.58 -101.92 132.31 97.03 1.29 1.67 28.38 65.80 2.87 1.04 0.48 0.00 0.40 1.04 48 P C C 78.30 5.54 12.63 19.62 113.31 -109.26 -71.80 148.97 98.10 0.80 1.09 73.78 18.40 5.91 0.32 0.73 0.00 0.39 0.47 49 R C C 160.30 4.03 11.87 17.83 111.76 -109.09 -78.96 133.32 94.85 3.04 2.11 80.62 10.07 3.67 0.74 1.29 0.00 1.32 2.28 50 K C C 135.08 4.68 10.94 17.52 112.08 -135.03 -88.78 131.14 95.73 2.68 1.60 49.60 36.12 10.17 0.43 1.15 0.00 1.31 1.22 51 N C C 117.72 3.20 12.17 16.75 111.88 -138.18 -94.81 115.45 92.37 6.21 1.42 53.68 30.09 8.93 0.45 1.04 0.00 3.78 2.03 52 V C C 59.79 9.43 9.85 20.69 119.40 -162.03 -104.73 136.59 91.32 7.81 0.87 78.49 11.95 0.99 0.56 0.36 0.00 4.84 2.83 53 G C C 31.34 3.92 15.91 20.57 123.16 -131.97 -85.31 166.44 88.68 10.23 1.09 85.33 3.25 0.42 0.96 0.21 0.00 4.52 5.31 54 I H H 89.21 9.40 11.25 21.66 91.73 -103.29 -59.91 -38.13 1.90 0.01 98.09 0.44 0.29 1.04 97.71 0.50 0.00 0.00 0.00 55 R H H 156.91 1.47 15.52 16.64 91.91 52.97 -64.39 -40.53 0.81 0.00 99.19 0.10 0.07 0.55 98.76 0.52 0.00 0.00 0.00 56 E H H 89.09 3.28 15.38 19.47 92.09 49.19 -65.41 -40.36 0.46 0.00 99.53 0.07 0.04 0.30 98.87 0.72 0.00 0.00 0.00 57 L H H 31.64 12.75 11.50 25.49 91.97 51.54 -63.88 -41.58 0.34 0.00 99.65 0.05 0.03 0.21 99.32 0.39 0.00 0.00 0.00 58 Q H H 81.53 7.76 13.62 22.68 91.73 51.09 -64.05 -39.09 0.38 0.00 99.62 0.03 0.02 0.27 99.29 0.38 0.00 0.00 0.00 59 K H H 147.79 0.97 16.63 16.00 92.64 49.10 -67.00 -38.71 1.12 0.00 98.88 0.05 0.05 1.00 98.05 0.85 0.00 0.00 0.00 60 E H H 108.56 3.66 14.81 19.35 94.82 44.79 -73.04 -35.15 3.30 0.00 96.69 0.07 0.14 3.30 95.76 0.72 0.01 0.00 0.00 61 F H H 57.14 12.30 9.97 22.90 101.39 32.23 -108.02 -1.08 19.10 0.12 80.78 1.72 3.70 14.36 78.44 1.55 0.08 0.03 0.10 62 G H G 36.81 6.45 10.96 19.49 94.55 115.90 -56.50 -43.49 26.84 0.22 72.95 7.49 2.06 14.60 5.17 70.46 0.00 0.15 0.07 63 T H G 117.74 0.71 13.73 13.38 91.73 51.81 -70.19 -20.71 24.64 0.22 75.14 1.92 2.20 18.74 3.98 72.93 0.01 0.14 0.09 64 L H G 92.77 5.70 11.18 18.53 94.53 55.65 -88.94 -1.20 27.58 0.19 72.23 1.42 2.95 21.13 2.02 72.30 0.00 0.10 0.08 65 G C T 52.15 2.37 15.53 18.44 98.01 -107.54 80.97 14.00 96.88 0.31 2.81 14.53 7.91 74.02 0.31 2.91 0.00 0.19 0.12 66 L C C 53.85 13.86 8.55 22.41 116.04 148.97 -87.02 133.51 94.34 4.71 0.96 90.39 3.13 1.09 0.26 0.59 0.00 3.19 1.35 67 E C C 127.31 3.24 16.93 21.34 118.91 -163.45 -109.49 133.35 84.51 14.34 1.15 77.47 4.91 1.82 0.40 0.77 0.00 11.33 3.29 68 V C C 60.83 13.59 10.82 24.40 120.57 -161.16 -110.21 131.94 78.91 19.78 1.32 68.75 7.49 1.87 0.62 0.79 0.00 15.36 5.11 69 D C C 95.15 4.35 14.97 20.49 108.45 -156.33 -93.69 104.40 90.01 8.50 1.49 68.43 19.19 2.56 0.76 0.71 0.00 5.98 2.38 70 D C C 58.20 10.02 10.76 21.89 109.69 131.14 -102.77 102.63 95.49 1.55 2.96 83.62 10.00 1.80 2.52 0.57 0.00 0.72 0.78 71 E H H 124.68 2.41 15.04 18.20 93.97 -163.91 -65.22 -35.65 5.66 0.02 94.31 2.54 1.03 2.03 93.73 0.64 0.00 0.01 0.01 72 V H H 77.42 4.16 15.84 20.92 92.54 52.83 -65.26 -40.69 1.80 0.01 98.19 0.40 0.20 1.06 97.78 0.56 0.00 0.00 0.00 73 D H H 34.97 11.10 13.05 25.65 92.23 50.44 -64.92 -40.60 0.77 0.00 99.23 0.21 0.07 0.42 98.77 0.53 0.00 0.00 0.00 74 D H H 67.58 4.54 16.38 22.12 91.80 51.09 -63.81 -41.15 0.36 0.00 99.64 0.09 0.03 0.19 99.50 0.19 0.00 0.00 0.00 75 D H H 80.61 2.06 18.94 19.98 91.73 49.89 -64.10 -41.17 0.32 0.00 99.68 0.06 0.02 0.19 99.64 0.09 0.00 0.00 0.00 76 R H H 76.75 8.84 16.23 26.29 92.22 50.42 -64.25 -41.83 0.19 0.00 99.81 0.03 0.01 0.12 99.78 0.06 0.00 0.00 0.00 77 L H H 58.14 9.82 16.00 26.91 91.78 50.70 -63.75 -41.23 0.14 0.00 99.86 0.02 0.01 0.10 99.82 0.06 0.00 0.00 0.00 78 E H H 111.12 1.98 20.00 20.81 91.94 50.09 -64.29 -41.04 0.19 0.00 99.81 0.02 0.01 0.14 99.77 0.06 0.00 0.00 0.00 79 H H H 102.71 3.56 19.22 22.91 92.11 49.24 -65.30 -41.12 0.19 0.00 99.81 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 80 L H H 38.31 11.81 15.08 28.14 91.94 50.12 -64.34 -41.74 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 81 A H H 47.97 4.26 18.20 23.36 91.56 51.06 -63.02 -41.16 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 82 A H H 53.73 2.37 18.34 20.31 91.72 50.48 -64.19 -41.28 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.06 0.00 0.00 0.00 83 L H H 45.31 7.45 13.86 23.51 92.04 50.37 -64.73 -41.00 0.55 0.00 99.45 0.06 0.03 0.36 99.37 0.17 0.00 0.00 0.00 84 R H H 111.69 6.56 13.20 21.16 91.95 50.85 -64.72 -40.32 1.54 0.01 98.46 0.17 0.09 1.16 98.10 0.47 0.00 0.00 0.00 85 A H H 85.87 1.38 14.02 15.35 91.25 53.42 -65.71 -30.01 8.60 0.02 91.38 0.26 0.30 8.36 90.55 0.48 0.02 0.01 0.01 86 R C T 149.57 2.08 12.36 15.02 93.94 50.01 -88.93 -0.47 86.29 0.07 13.64 0.45 2.19 82.43 14.19 0.64 0.00 0.02 0.07 87 D C T 120.54 1.81 12.05 15.09 95.73 -111.83 68.04 24.50 99.01 0.05 0.94 1.68 4.00 93.53 0.56 0.18 0.00 0.03 0.02 88 K C C 123.48 3.76 11.04 16.37 100.97 125.15 -94.47 0.45 97.74 0.70 1.56 56.78 32.55 8.34 0.52 1.00 0.00 0.27 0.54 89 G C S 34.23 5.31 13.65 20.22 128.52 -47.30 132.66 174.59 97.37 1.41 1.22 43.20 49.11 4.98 0.34 0.78 0.00 0.51 1.09 90 A C C 65.16 5.29 13.33 20.14 117.09 -62.90 -75.93 147.16 98.64 0.88 0.48 86.60 11.59 0.51 0.27 0.17 0.00 0.43 0.43 91 P C C 66.04 9.03 10.35 20.73 113.82 -104.90 -66.69 149.17 94.51 1.44 4.04 86.69 5.14 2.95 1.86 1.73 0.00 0.65 0.98 92 K C C 147.36 2.69 11.84 15.99 109.81 -114.56 -80.00 141.00 86.16 2.99 10.85 67.05 11.32 7.40 5.21 5.53 0.00 1.30 2.19 93 K C C 147.73 2.91 9.55 14.06 109.35 -105.08 -83.60 132.55 78.70 3.74 17.56 50.54 16.24 11.78 7.66 9.81 0.01 1.87 2.09 94 K C C 144.65 3.01 9.08 13.81 109.51 -123.99 -83.18 121.79 80.40 2.28 17.31 56.85 13.17 9.99 8.02 9.52 0.00 1.13 1.31 95 R C C 169.36 2.45 9.58 13.51 104.61 -145.78 -87.72 7.84 82.31 1.68 16.00 49.07 22.51 10.77 9.50 6.36 0.00 0.71 1.08 96 T C C 89.25 3.39 9.64 14.78 118.51 51.73 -101.98 144.05 84.91 1.22 13.86 45.82 30.02 9.25 9.25 4.30 0.00 0.45 0.90 97 A C C 67.53 3.82 9.61 15.19 114.40 -104.70 -71.12 149.08 79.89 0.62 19.49 54.52 19.56 5.88 15.22 4.13 0.00 0.22 0.48 98 P C C 94.46 3.02 10.14 14.69 102.99 -102.62 -66.61 148.98 69.37 0.66 29.96 51.46 8.14 9.96 21.24 8.47 0.00 0.30 0.43 99 S C C 77.99 2.58 10.29 14.18 100.69 -8.52 -77.48 -5.01 63.84 1.12 35.04 45.47 8.82 9.82 24.64 10.04 0.00 0.53 0.67 100 A C C 65.16 4.10 9.06 14.89 103.76 68.33 -79.08 23.35 58.40 1.31 40.29 40.37 9.71 8.79 30.16 9.64 0.00 0.60 0.73 101 A C C 72.96 3.13 9.54 14.21 99.93 66.03 -75.14 -23.72 57.07 1.13 41.81 35.92 11.41 10.24 33.61 7.72 0.01 0.50 0.59 102 D C C 103.78 2.45 9.63 13.43 102.86 65.11 -83.16 16.14 59.88 1.08 39.04 37.01 11.14 12.12 30.52 8.13 0.01 0.48 0.60 103 A C C 74.67 3.42 8.06 13.17 104.71 93.64 -83.22 56.49 61.28 1.02 37.70 34.85 13.21 13.86 27.18 9.86 0.01 0.44 0.61 104 K C C 151.74 1.78 8.25 11.40 106.27 65.34 -87.21 75.97 66.68 1.31 32.01 37.59 14.08 15.61 20.63 10.70 0.01 0.58 0.79 105 K C C 152.11 1.90 7.00 10.61 111.95 77.84 -86.39 129.06 74.56 1.96 23.48 44.85 14.52 15.67 13.65 9.25 0.00 0.95 1.10 106 K C C 158.30 1.59 7.10 10.29 112.19 -131.36 -85.89 130.60 86.55 1.71 11.74 74.13 2.61 11.05 6.35 3.94 0.00 0.90 1.02 107 K C C 154.87 2.08 9.26 12.88 108.38 -118.31 -82.93 117.63 99.84 0.10 0.06 99.66 0.15 0.10 0.03 0.00 0.00 0.05 0.02