# 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 98.38 7.56 11.58 20.48 118.17 -147.93 -93.55 142.86 99.95 0.03 0.01 99.82 0.13 0.03 0.00 0.00 0.00 0.01 0.01 1 P C C 79.24 5.22 11.38 18.27 112.69 -105.59 -67.88 151.95 87.48 0.42 12.10 83.51 0.68 3.60 11.02 0.79 0.00 0.16 0.25 2 S C C 68.61 3.67 11.69 16.63 109.71 -103.59 -72.52 153.21 74.94 0.79 24.27 60.74 5.73 6.47 24.51 1.80 0.00 0.30 0.46 3 T H H 81.81 6.53 10.98 18.62 95.40 -106.66 -66.56 -32.11 27.30 0.42 72.27 18.86 5.10 4.54 69.10 2.06 0.00 0.16 0.17 4 Q H H 117.38 2.72 14.29 17.80 93.26 57.08 -66.82 -37.99 9.15 0.16 90.69 5.59 1.61 2.53 88.49 1.65 0.00 0.08 0.04 5 S H H 57.04 3.95 14.56 19.43 92.71 51.68 -66.89 -38.81 6.25 0.17 93.58 3.97 0.88 1.87 91.65 1.49 0.00 0.10 0.04 6 L H H 71.63 7.94 13.96 22.93 92.73 50.61 -66.87 -39.21 3.00 0.08 96.93 1.63 0.42 1.06 95.97 0.85 0.00 0.05 0.01 7 T H H 64.03 6.02 15.91 23.00 92.64 51.99 -65.41 -40.64 1.78 0.04 98.18 0.87 0.23 0.66 97.78 0.44 0.00 0.02 0.01 8 V H H 81.51 2.61 18.12 20.41 92.30 50.03 -65.33 -41.53 1.32 0.02 98.65 0.49 0.16 0.59 98.38 0.36 0.00 0.01 0.00 9 A H H 47.57 5.56 16.89 23.37 92.09 50.11 -64.88 -41.14 1.42 0.02 98.57 0.39 0.14 0.73 98.38 0.35 0.00 0.01 0.00 10 A H H 37.50 9.53 15.40 25.98 92.20 50.95 -64.87 -40.73 1.74 0.01 98.24 0.48 0.17 0.89 98.11 0.33 0.00 0.00 0.00 11 K H H 112.86 3.69 18.38 22.59 92.10 51.06 -64.89 -40.46 2.22 0.02 97.76 0.62 0.22 1.15 97.60 0.39 0.00 0.01 0.00 12 T H H 72.54 3.03 18.20 21.12 92.42 50.00 -65.63 -41.06 2.59 0.03 97.38 0.79 0.27 1.35 97.04 0.53 0.00 0.01 0.01 13 L H H 65.81 8.09 16.23 25.21 92.28 50.27 -65.10 -41.26 2.56 0.03 97.41 0.78 0.29 1.34 96.87 0.70 0.00 0.01 0.01 14 R H H 107.01 8.45 16.16 25.34 91.79 51.98 -63.95 -40.14 3.09 0.04 96.87 0.93 0.34 1.68 96.07 0.94 0.01 0.02 0.01 15 N H H 92.57 2.86 17.57 20.65 92.18 51.43 -65.47 -39.16 4.88 0.07 95.05 1.21 0.54 3.06 93.21 1.89 0.01 0.04 0.02 16 R H H 123.60 4.32 16.87 21.70 92.73 51.17 -66.60 -39.40 8.20 0.18 91.62 2.03 1.01 5.26 88.51 2.98 0.03 0.12 0.05 17 I H H 61.99 10.67 13.82 25.25 93.56 50.45 -68.21 -38.22 14.91 0.77 84.31 5.43 2.48 8.00 79.85 3.42 0.09 0.50 0.24 18 F H H 108.19 7.12 14.73 22.90 95.36 53.47 -71.61 -31.11 31.21 2.78 66.01 16.66 5.58 11.43 60.40 3.31 0.09 1.56 0.97 19 S C H 74.30 3.43 15.31 19.31 98.04 58.69 -77.77 -16.65 52.73 3.66 43.61 30.60 6.79 15.90 40.21 3.19 0.04 1.95 1.32 20 R C C 138.11 5.54 12.77 19.47 102.13 66.96 -86.82 -4.44 63.92 5.79 30.29 34.23 13.35 16.93 26.65 3.56 0.09 2.73 2.46 21 S C C 65.57 6.99 11.28 19.42 110.03 68.51 -94.38 104.69 80.18 4.30 15.52 40.55 18.75 21.27 11.73 3.62 0.02 2.08 1.98 22 G C C 50.93 3.60 11.86 16.97 113.46 -138.62 93.75 161.94 90.09 3.03 6.88 44.87 21.85 23.92 2.49 3.93 0.00 1.47 1.46 23 S C C 81.40 3.50 10.89 15.95 110.43 -90.63 -90.85 116.75 87.55 3.93 8.52 43.66 23.07 21.21 2.31 5.86 0.00 1.80 2.09 24 T C C 103.56 2.78 10.53 14.85 105.78 95.41 -90.12 53.82 86.20 3.18 10.63 34.57 24.88 27.36 2.24 7.83 0.01 1.44 1.67 25 S C C 79.39 3.51 10.56 15.73 110.38 127.79 -90.98 112.63 87.47 2.87 9.66 32.66 27.34 28.00 1.96 7.19 0.00 1.30 1.54 26 A C C 80.17 3.48 11.09 16.10 108.95 -157.01 -92.12 88.22 89.09 4.03 6.88 40.50 30.81 17.90 1.67 5.01 0.00 1.76 2.35 27 G C C 35.59 5.97 11.99 19.43 127.73 -120.99 157.10 177.49 93.13 3.78 3.08 53.29 34.38 5.39 1.04 1.97 0.00 1.61 2.32 28 P C C 92.32 4.52 13.64 19.33 107.92 -52.25 -70.16 131.78 84.94 3.23 11.83 48.14 18.99 17.77 2.81 9.02 0.00 1.60 1.66 29 S C C 65.74 6.79 12.11 20.12 109.61 -120.25 -87.58 117.44 76.91 5.30 17.79 47.37 13.88 15.53 4.23 13.77 0.01 2.76 2.44 30 R C C 130.22 7.14 13.56 21.70 101.10 58.19 -85.91 -4.64 66.40 7.48 26.12 33.72 14.87 19.37 5.75 19.21 0.05 3.96 3.07 31 W C T 131.18 9.24 13.01 22.88 102.60 69.53 -88.31 9.72 66.93 7.94 25.14 26.37 15.71 26.98 5.54 17.84 0.11 4.49 2.96 32 A C C 65.01 6.55 13.62 21.44 106.00 79.27 -92.69 31.33 71.81 10.36 17.83 31.95 21.08 20.04 4.45 12.54 0.09 5.61 4.23 33 T C C 61.17 7.83 10.76 20.25 119.41 113.68 -103.97 138.35 89.96 8.55 1.49 46.18 41.61 2.66 0.57 0.86 0.00 3.87 4.24 34 P C C 99.67 3.22 12.77 17.40 108.26 -105.68 -66.65 141.23 90.68 3.90 5.43 39.27 19.77 32.02 0.95 4.45 0.00 2.12 1.42 35 G C T 50.58 3.89 11.97 17.27 108.27 15.52 83.65 -4.59 90.77 2.86 6.36 33.41 23.51 34.03 0.98 5.42 0.00 1.44 1.21 36 H C C 121.83 5.66 10.91 17.80 105.16 31.27 -92.19 18.28 85.61 6.03 8.36 51.37 19.81 13.89 1.63 7.14 0.00 2.91 3.23 37 E C C 106.83 6.57 10.40 18.44 113.33 121.16 -95.09 129.59 86.11 7.95 5.94 53.99 22.47 9.30 1.57 4.45 0.00 3.73 4.49 38 E C C 135.97 2.82 14.08 18.06 114.47 -138.10 -95.61 129.83 91.89 5.96 2.15 57.58 29.89 4.20 0.69 1.49 0.00 2.73 3.42 39 R C C 131.74 7.23 12.86 21.55 117.65 -115.48 -78.64 142.32 96.43 2.80 0.77 67.46 26.15 2.93 0.22 0.56 0.00 1.31 1.39 40 P C C 52.52 12.33 11.42 24.36 113.87 -103.40 -66.45 146.99 96.79 1.95 1.27 81.62 9.77 5.30 0.32 0.92 0.00 0.92 1.15 41 K C C 137.07 3.54 16.39 20.91 111.29 -153.84 -99.11 118.39 89.01 9.24 1.75 68.58 14.37 4.58 0.61 1.15 0.00 3.31 7.40 42 G C C 26.36 10.08 11.32 22.34 118.95 -120.52 117.43 163.52 85.74 10.71 3.55 50.41 26.74 8.04 1.16 2.32 0.01 4.17 7.15 43 Y C T 131.29 5.27 14.19 20.43 99.79 -115.16 -76.91 -33.67 56.18 14.45 29.38 14.39 18.83 24.45 4.56 22.27 0.35 5.04 10.11 44 F C T 117.78 7.13 12.73 20.56 97.21 38.66 -72.66 -31.16 66.50 1.97 31.53 3.29 9.19 53.12 1.86 30.40 0.02 1.13 0.99 45 M C T 96.75 6.40 11.50 19.24 99.54 34.19 -96.67 5.79 65.29 1.38 33.33 3.78 8.95 51.39 1.99 32.30 0.01 0.77 0.80 46 N C C 119.19 2.88 13.02 17.26 97.82 -122.35 60.47 32.26 87.47 5.95 6.58 36.33 21.02 30.08 1.25 5.48 0.00 2.61 3.23 47 R C C 112.40 6.22 10.58 18.76 122.08 138.04 -101.54 143.96 85.90 13.40 0.70 67.67 16.61 1.23 0.29 0.42 0.00 4.60 9.18 48 T C C 105.53 2.05 15.15 18.07 114.50 -117.67 -88.74 130.74 95.37 4.55 0.08 87.28 8.13 0.24 0.03 0.06 0.00 2.04 2.24 49 P C C 60.41 12.49 9.62 22.36 117.16 -110.75 -68.43 148.47 99.07 0.89 0.04 95.66 3.28 0.15 0.01 0.02 0.00 0.33 0.55 50 P C C 61.48 6.69 10.91 19.68 116.78 -105.14 -65.60 152.77 99.27 0.67 0.06 96.03 2.98 0.16 0.02 0.03 0.00 0.17 0.62 51 A C C 76.89 2.03 12.91 15.67 115.70 -98.69 -65.92 152.74 99.34 0.53 0.13 92.29 6.17 0.60 0.04 0.08 0.00 0.12 0.70 52 P C T 112.91 2.52 9.21 13.67 110.18 -81.44 -59.87 136.83 99.07 0.18 0.75 1.85 5.39 91.83 0.06 0.68 0.00 0.08 0.12 53 G C T 67.01 0.50 11.30 10.59 96.19 18.61 84.97 -1.83 99.19 0.08 0.73 2.03 4.93 92.19 0.05 0.72 0.00 0.05 0.03 54 Q C C 105.09 3.62 8.53 14.33 121.49 111.44 -99.00 147.70 94.70 4.59 0.70 68.23 24.74 1.22 0.20 0.51 0.00 1.46 3.63 55 S C C 85.96 1.87 11.61 14.79 121.03 -145.78 -102.52 147.20 93.17 6.33 0.51 89.30 3.39 0.68 0.17 0.27 0.00 3.75 2.44 56 R C C 114.39 10.33 8.26 19.12 115.65 -116.70 -84.10 138.33 81.65 16.57 1.78 75.42 4.43 1.06 0.98 0.79 0.00 9.13 8.18 57 K C C 140.29 2.33 14.35 17.64 117.64 -141.18 -96.82 138.45 88.14 8.14 3.72 79.65 6.17 2.26 1.88 1.75 0.00 5.53 2.76 58 W C C 145.28 7.77 9.71 18.89 113.19 -114.64 -80.04 134.14 84.52 6.54 8.94 71.47 8.17 4.60 4.39 4.54 0.00 3.90 2.93 59 E C C 88.46 6.52 10.56 18.66 120.01 -160.27 -102.92 147.74 75.85 3.67 20.49 56.88 10.96 7.47 9.67 11.10 0.00 1.83 2.08 60 D H G 118.06 1.50 12.87 14.81 93.64 -109.49 -61.29 -32.99 46.35 0.84 52.80 8.54 7.89 29.46 12.59 40.58 0.04 0.45 0.45 61 W H G 151.91 4.11 12.55 17.86 94.36 58.94 -79.19 -15.24 44.32 0.48 55.20 5.22 5.67 31.66 14.82 42.04 0.04 0.25 0.29 62 E H H 53.44 12.46 10.51 23.51 95.59 67.40 -74.44 -24.99 28.41 0.73 70.86 9.16 5.07 14.12 36.13 34.69 0.08 0.37 0.38 63 L H H 78.13 5.96 14.14 21.61 93.66 69.86 -63.33 -42.39 7.69 0.05 92.26 3.12 1.78 3.09 90.57 1.40 0.01 0.02 0.02 64 P H H 79.22 2.22 16.99 18.72 92.39 50.51 -64.59 -40.09 2.98 0.02 97.01 0.62 0.31 1.89 95.81 1.34 0.01 0.01 0.01 65 C H H 54.65 6.13 15.04 22.59 92.25 49.87 -65.92 -40.06 1.38 0.01 98.61 0.25 0.13 0.92 97.41 1.29 0.00 0.00 0.00 66 Y H H 83.42 9.48 14.10 24.56 92.37 50.39 -65.39 -41.47 1.03 0.01 98.96 0.15 0.09 0.71 98.21 0.84 0.00 0.00 0.00 67 I H H 95.66 2.84 17.35 20.32 92.17 48.88 -65.17 -41.64 1.69 0.01 98.30 0.12 0.10 1.41 97.53 0.83 0.00 0.00 0.00 68 T H H 72.62 2.74 17.14 19.96 92.35 48.61 -66.01 -40.80 6.11 0.01 93.89 0.20 0.25 5.85 92.75 0.94 0.01 0.00 0.00 69 S H H 40.97 7.90 14.83 24.09 92.55 50.13 -66.42 -39.97 11.14 0.01 88.84 0.37 0.51 10.29 87.94 0.86 0.01 0.00 0.01 70 F H H 98.14 5.91 16.27 22.97 92.15 51.31 -64.43 -41.82 2.61 0.00 97.38 0.20 0.21 2.07 97.21 0.29 0.00 0.00 0.00 71 L H H 92.15 2.29 18.02 19.81 91.97 49.87 -64.77 -41.62 0.58 0.00 99.42 0.07 0.04 0.39 99.35 0.15 0.00 0.00 0.00 72 T H H 62.85 4.14 16.76 21.83 92.03 49.71 -65.42 -40.89 0.23 0.00 99.77 0.03 0.01 0.14 99.72 0.09 0.00 0.00 0.00 73 I H H 73.01 7.23 16.04 24.14 92.14 49.66 -64.82 -41.77 0.08 0.00 99.92 0.01 0.00 0.06 99.88 0.05 0.00 0.00 0.00 74 V H H 77.81 3.91 17.25 21.68 91.82 49.81 -64.17 -42.29 0.09 0.00 99.91 0.01 0.00 0.07 99.87 0.06 0.00 0.00 0.00 75 I H H 99.51 2.13 18.22 19.72 91.97 48.43 -65.32 -41.52 0.14 0.00 99.86 0.01 0.00 0.12 99.80 0.07 0.00 0.00 0.00 76 L H H 80.46 4.76 16.55 22.18 92.04 49.61 -65.17 -41.56 0.30 0.00 99.70 0.01 0.01 0.24 99.59 0.15 0.00 0.00 0.00 77 G H H 28.99 6.31 14.89 22.45 92.26 51.07 -64.23 -41.84 0.96 0.00 99.04 0.06 0.05 0.78 98.70 0.40 0.00 0.00 0.00 78 V H H 84.83 2.29 17.30 19.26 92.13 49.23 -65.22 -41.00 1.55 0.00 98.44 0.08 0.09 1.31 97.85 0.66 0.00 0.00 0.00 79 G H H 35.63 3.08 15.73 19.48 92.30 50.73 -64.88 -40.46 2.54 0.00 97.45 0.19 0.18 2.02 95.45 2.16 0.00 0.00 0.00 80 L H H 76.88 6.94 13.66 21.92 92.39 51.02 -67.16 -35.87 6.78 0.02 93.21 0.35 0.38 5.83 87.06 6.34 0.02 0.01 0.01 81 N H H 101.87 4.19 14.28 19.50 92.41 55.42 -71.09 -22.54 17.37 0.03 82.60 0.75 0.94 15.48 77.97 4.80 0.03 0.01 0.02 82 A H H 80.77 2.07 14.33 16.62 96.85 53.04 -87.84 -6.31 41.10 0.44 58.46 5.26 8.32 28.55 53.04 4.14 0.16 0.15 0.38 83 K C C 108.02 6.43 10.78 19.07 116.71 99.05 -88.34 131.28 98.82 0.77 0.42 60.33 37.41 1.09 0.19 0.18 0.00 0.22 0.58 84 P C C 88.41 4.56 13.65 19.67 111.43 -110.24 -68.10 148.25 95.59 0.82 3.59 42.26 15.52 37.71 0.50 3.22 0.00 0.44 0.36 85 D C C 84.14 8.24 12.16 21.54 110.04 -109.95 -83.53 118.15 94.95 1.13 3.92 43.99 13.95 36.86 0.52 3.57 0.00 0.60 0.51 86 L C C 85.95 8.00 13.66 23.01 104.02 174.58 -102.91 11.42 93.92 1.85 4.24 65.92 22.47 5.10 0.94 3.45 0.00 0.73 1.40 87 S C C 48.96 5.02 17.33 23.09 122.21 126.57 -86.52 164.97 91.81 4.83 3.36 55.95 34.53 1.05 2.86 0.49 0.00 0.92 4.20 88 I H H 78.44 11.02 14.02 25.70 91.83 -104.22 -60.66 -37.46 2.98 0.01 97.01 0.60 0.62 1.56 96.69 0.51 0.00 0.00 0.00 89 E H H 105.03 5.86 17.07 23.69 91.97 53.57 -64.38 -40.10 1.86 0.01 98.14 0.30 0.18 1.19 97.78 0.55 0.00 0.00 0.00 90 T H H 53.95 4.66 17.33 23.17 92.29 49.51 -65.23 -41.30 0.98 0.00 99.01 0.20 0.09 0.58 98.61 0.52 0.00 0.00 0.00 91 W H H 85.61 6.97 17.16 25.47 91.74 50.43 -64.03 -42.62 0.29 0.00 99.71 0.05 0.02 0.15 99.62 0.15 0.00 0.00 0.00 92 A H H 29.60 10.02 16.28 27.67 91.75 50.20 -63.97 -41.85 0.28 0.00 99.72 0.04 0.02 0.16 99.71 0.07 0.00 0.00 0.00 93 H H H 92.95 6.25 18.60 25.48 92.01 50.09 -64.79 -41.11 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 94 Q H H 97.67 2.99 20.39 22.96 92.16 49.73 -65.09 -41.65 0.22 0.00 99.78 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 95 K H H 93.01 5.08 19.31 24.83 92.09 49.18 -65.21 -41.17 0.24 0.00 99.76 0.04 0.01 0.13 99.79 0.02 0.00 0.00 0.00 96 A H H 29.22 8.47 15.75 26.04 91.64 51.12 -63.66 -41.49 0.23 0.00 99.77 0.05 0.01 0.11 99.81 0.02 0.00 0.00 0.00 97 L H H 81.59 3.55 18.51 22.44 91.68 50.26 -64.17 -41.42 0.20 0.00 99.80 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 98 E H H 99.97 2.45 18.53 20.53 91.74 50.49 -64.43 -41.35 0.26 0.00 99.74 0.04 0.01 0.13 99.78 0.04 0.00 0.00 0.00 99 R H H 110.73 4.31 16.70 21.75 91.99 49.99 -64.92 -41.17 0.43 0.00 99.57 0.08 0.02 0.23 99.61 0.06 0.00 0.00 0.00 100 L H H 72.76 4.71 15.12 21.08 91.88 50.46 -64.49 -40.79 0.68 0.00 99.32 0.14 0.05 0.37 99.31 0.13 0.00 0.00 0.00 101 E H H 108.49 1.99 16.12 17.87 91.86 50.58 -64.82 -40.16 1.78 0.01 98.21 0.31 0.13 1.09 98.21 0.25 0.00 0.00 0.00 102 M H H 100.99 2.37 14.55 17.29 92.37 50.56 -65.70 -39.42 4.13 0.02 95.85 0.96 0.43 2.43 95.62 0.54 0.00 0.01 0.01 103 E H H 106.99 3.13 13.58 17.65 92.86 51.78 -66.19 -39.15 6.43 0.06 93.51 2.03 0.81 3.40 92.62 1.09 0.01 0.03 0.02 104 K H H 128.49 2.11 13.48 16.13 93.70 51.80 -66.30 -37.32 11.65 0.12 88.24 3.57 1.40 6.62 86.35 1.94 0.01 0.06 0.05 105 L H H 106.57 2.00 12.54 15.05 94.12 52.44 -68.13 -35.88 14.12 0.25 85.64 6.02 2.40 6.14 82.75 2.47 0.02 0.12 0.09 106 A H H 72.86 2.41 11.36 14.82 97.35 54.79 -73.05 -26.53 24.14 0.57 75.28 12.68 3.98 8.31 72.03 2.48 0.02 0.27 0.22 107 T H H 92.21 2.55 10.63 14.39 101.51 58.79 -86.76 1.86 37.76 0.90 61.34 19.37 6.48 12.82 57.96 2.55 0.02 0.39 0.40 108 A C H 78.46 2.41 9.89 13.63 105.35 65.14 -80.79 68.83 54.77 0.87 44.36 26.41 12.79 15.94 41.15 2.89 0.02 0.33 0.47 109 G C C 52.45 2.80 9.21 13.49 107.47 42.15 -72.78 2.62 70.52 1.05 28.43 38.00 12.32 20.52 22.77 5.30 0.01 0.45 0.63 110 D C C 113.80 1.89 8.60 11.85 105.21 68.33 -86.64 34.67 74.12 1.55 24.33 37.85 15.76 21.36 14.91 8.48 0.01 0.69 0.94 111 S C C 90.01 1.61 7.81 10.79 104.64 106.39 -86.14 29.38 77.94 2.00 20.06 40.38 16.48 22.06 10.52 8.48 0.01 0.94 1.13 112 S C C 87.10 1.92 7.60 11.06 106.07 105.63 -87.20 49.54 87.57 1.30 11.14 71.77 3.47 13.58 5.71 4.02 0.00 0.74 0.69 113 D C C 114.31 2.14 9.79 13.45 106.08 75.34 -86.31 59.67 99.88 0.06 0.06 99.63 0.17 0.13 0.02 0.00 0.00 0.03 0.01