# 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 124.20 4.39 9.95 16.21 113.37 -156.75 -95.70 130.84 99.82 0.14 0.04 99.73 0.11 0.05 0.02 0.00 0.00 0.06 0.02 1 Q C C 137.10 2.00 8.75 12.41 114.12 -147.82 -94.79 133.42 84.41 4.80 10.79 78.93 1.47 5.17 6.30 3.23 0.00 3.20 1.69 2 A C C 86.59 2.22 7.46 11.51 113.42 -133.94 -87.95 135.06 76.25 7.78 15.97 55.19 10.83 10.15 8.39 7.59 0.01 5.52 2.32 3 L C C 123.56 2.95 7.29 12.11 113.07 -136.19 -90.80 131.96 71.85 9.54 18.61 52.22 10.47 9.19 8.51 10.10 0.01 7.07 2.41 4 A C C 83.02 2.70 8.59 13.11 115.22 -143.84 -93.85 133.57 74.41 9.10 16.49 53.61 11.16 9.59 7.93 8.60 0.02 6.69 2.40 5 T C C 101.73 3.00 8.59 13.58 116.56 -145.41 -98.19 133.96 80.84 6.84 12.32 57.03 14.29 9.43 5.81 6.55 0.01 4.56 2.32 6 R C C 162.26 2.86 8.57 13.49 116.60 -142.47 -95.34 133.40 94.27 3.12 2.61 72.86 20.12 1.45 1.77 0.82 0.00 1.69 1.29 7 P C C 100.29 3.21 8.83 13.87 112.85 -109.26 -71.72 144.25 90.45 1.51 8.04 82.12 4.51 4.60 3.71 3.58 0.00 1.00 0.48 8 S C C 88.62 2.28 8.66 12.68 109.27 -123.66 -85.14 117.50 82.81 2.62 14.56 66.97 7.58 8.52 4.97 9.31 0.00 1.72 0.92 9 A C C 84.01 2.62 8.35 12.70 112.60 -152.02 -93.75 126.50 77.50 6.67 15.83 56.15 12.70 8.81 5.79 9.83 0.00 4.75 1.97 10 I C C 119.91 3.72 8.08 13.74 115.66 -147.26 -96.65 128.45 76.92 9.41 13.67 56.38 14.29 5.91 6.52 7.30 0.01 6.67 2.92 11 R C C 164.26 2.45 10.24 14.55 117.19 -148.41 -95.24 133.98 90.30 5.13 4.57 73.39 15.43 1.49 3.61 1.12 0.00 3.56 1.41 12 P C C 92.48 4.78 9.04 15.81 113.44 -110.19 -66.86 145.13 83.58 5.19 11.23 77.42 3.53 3.23 7.57 3.17 0.00 3.69 1.39 13 T C C 100.23 3.36 9.37 14.66 112.10 -131.27 -86.84 134.91 77.39 4.09 18.52 58.92 11.27 6.98 12.41 6.35 0.00 2.54 1.52 14 K C C 153.19 2.21 10.01 13.85 114.76 -142.22 -94.63 133.53 71.46 5.73 22.81 46.76 16.24 8.52 15.42 7.53 0.02 3.34 2.17 15 A C C 74.54 4.66 8.64 15.12 115.15 -130.76 -85.62 136.72 72.34 4.70 22.96 50.80 13.12 8.13 15.53 7.87 0.01 2.94 1.59 16 A C C 77.30 3.77 9.69 15.26 113.84 -131.99 -88.35 138.57 75.68 4.50 19.82 54.28 12.80 8.00 14.00 6.47 0.01 2.76 1.68 17 R C C 160.23 3.21 9.85 14.86 113.54 -131.96 -88.82 132.61 77.10 4.74 18.15 55.20 12.87 8.40 12.82 5.98 0.01 2.79 1.92 18 R C C 159.12 3.66 9.43 14.90 110.70 -138.45 -86.54 123.46 76.26 3.68 20.06 51.16 13.31 11.31 13.72 6.85 0.01 2.09 1.55 19 S C C 78.87 3.33 9.99 14.97 107.95 -150.41 -89.28 60.18 73.76 2.70 23.54 43.65 15.18 14.98 14.95 8.61 0.01 1.46 1.17 20 S C C 82.91 2.90 10.93 15.17 105.36 53.43 -90.71 38.67 69.91 3.84 26.25 41.33 15.42 13.40 17.39 8.83 0.03 2.21 1.40 21 V C C 90.95 5.48 10.02 17.13 113.73 104.71 -97.50 121.27 63.50 9.08 27.42 41.84 13.14 8.70 20.76 6.97 0.06 6.38 2.15 22 V C C 94.84 4.96 12.22 18.81 116.90 -152.73 -98.30 131.87 60.44 16.24 23.32 45.90 8.37 5.60 18.82 5.24 0.05 13.08 2.94 23 V C C 79.56 8.06 12.01 21.26 116.74 -157.18 -102.03 132.85 60.97 19.44 19.60 49.39 6.62 3.95 16.43 4.06 0.04 16.39 3.11 24 R C C 139.55 4.87 14.68 20.91 114.19 -146.42 -93.17 133.86 60.15 20.99 18.87 47.24 6.89 4.78 16.02 3.95 0.05 16.26 4.79 25 A C C 50.51 10.40 10.85 21.92 106.82 -131.52 -80.27 115.89 69.30 8.07 22.63 51.77 9.30 7.50 18.54 4.96 0.02 5.61 2.29 26 D C C 101.56 3.88 14.17 19.31 105.37 74.81 -85.87 34.05 68.07 3.41 28.52 39.62 11.03 17.89 20.62 7.47 0.03 1.98 1.35 27 G C C 44.86 4.70 14.17 19.87 108.74 39.86 -63.91 -38.93 66.50 2.11 31.39 30.88 12.54 24.30 20.44 9.64 0.05 1.11 1.03 28 F C C 126.06 6.07 12.49 19.73 103.84 -18.55 -81.23 4.50 61.44 3.84 34.72 29.74 12.47 20.59 22.30 10.91 0.12 2.02 1.86 29 I C T 105.09 6.01 12.51 19.78 102.57 54.89 -82.65 6.59 69.03 4.47 26.50 19.73 14.04 36.01 17.88 7.56 0.26 2.42 2.08 30 G C T 47.30 5.09 15.16 21.13 102.24 25.94 66.82 -10.58 81.47 2.63 15.90 26.76 18.04 38.09 9.82 4.79 0.02 1.33 1.15 31 S C C 49.55 8.36 13.03 22.66 112.29 95.76 -84.99 139.95 76.44 2.90 20.66 52.60 16.96 6.19 18.91 2.65 0.01 1.20 1.49 32 S H H 68.41 4.88 17.38 22.81 100.05 -118.18 -72.13 -22.45 45.53 1.19 53.28 27.38 11.08 7.30 51.55 1.71 0.01 0.47 0.51 33 T H H 46.86 13.15 15.56 28.71 95.01 65.20 -67.21 -38.28 12.28 0.24 87.48 6.29 2.37 4.03 85.98 1.13 0.01 0.11 0.08 34 N H H 59.76 12.58 16.77 29.27 92.93 53.87 -65.61 -39.66 4.77 0.12 95.11 2.45 0.72 1.88 94.01 0.84 0.01 0.07 0.03 35 L H H 90.75 4.36 20.49 25.02 92.62 51.76 -66.11 -40.37 1.72 0.06 98.22 0.79 0.23 0.75 97.66 0.51 0.00 0.03 0.01 36 I H H 69.75 7.69 20.31 28.61 92.37 50.00 -65.29 -42.20 0.64 0.03 99.33 0.27 0.07 0.28 99.18 0.19 0.00 0.01 0.00 37 M H H 39.45 16.97 18.26 34.73 92.36 50.28 -64.67 -42.29 0.45 0.01 99.54 0.16 0.04 0.21 99.48 0.11 0.00 0.01 0.00 38 V H H 58.66 10.05 20.70 30.98 91.89 49.77 -64.04 -41.92 0.52 0.01 99.47 0.14 0.04 0.27 99.44 0.10 0.00 0.00 0.00 39 A H H 58.33 3.60 23.71 26.59 91.79 49.31 -64.90 -41.54 0.61 0.00 99.38 0.11 0.04 0.37 99.39 0.08 0.00 0.00 0.00 40 S H H 30.26 11.94 20.42 32.79 92.42 49.60 -65.99 -41.14 1.29 0.01 98.70 0.21 0.11 0.85 98.73 0.10 0.00 0.00 0.00 41 T H H 25.09 18.03 19.26 36.64 92.41 50.30 -64.84 -41.95 1.98 0.01 98.00 0.27 0.22 1.42 97.94 0.14 0.00 0.00 0.00 42 T H H 66.83 6.17 23.44 29.70 91.68 50.40 -64.01 -41.41 1.91 0.01 98.08 0.33 0.25 1.26 98.00 0.15 0.00 0.00 0.00 43 A H H 53.77 4.75 23.54 28.20 91.77 49.87 -64.59 -41.93 1.18 0.02 98.81 0.32 0.18 0.67 98.50 0.32 0.00 0.01 0.01 44 T H H 28.00 15.89 19.44 35.22 92.20 49.95 -64.42 -41.94 1.36 0.06 98.58 0.46 0.20 0.77 97.97 0.53 0.01 0.04 0.02 45 L H H 53.37 13.34 20.44 33.54 91.75 50.04 -63.84 -41.73 1.16 0.05 98.79 0.22 0.12 0.79 98.17 0.63 0.01 0.04 0.01 46 A H H 55.45 3.85 22.80 26.25 91.72 50.16 -63.98 -42.34 1.93 0.07 98.00 0.31 0.20 1.39 97.11 0.91 0.02 0.05 0.01 47 A H H 38.27 8.21 19.25 28.55 92.05 50.63 -65.06 -40.33 3.73 0.09 96.18 0.57 0.40 2.72 94.26 1.94 0.03 0.06 0.03 48 A H H 24.71 15.57 15.21 30.96 92.39 52.86 -65.36 -37.56 8.48 0.11 91.41 0.98 0.70 6.72 86.94 4.49 0.06 0.06 0.04 49 R H H 127.15 6.87 18.59 26.20 92.78 51.09 -70.10 -32.21 15.37 0.24 84.39 1.17 1.14 13.38 80.07 3.86 0.13 0.12 0.12 50 F H H 127.65 4.03 18.23 22.42 99.24 43.20 -92.19 -9.96 40.58 1.21 58.21 3.23 4.73 32.77 52.73 4.73 0.52 0.58 0.71 51 G C T 35.47 9.27 15.23 25.01 107.62 35.31 -82.67 0.84 69.98 2.93 27.10 10.23 10.04 48.39 24.16 4.15 0.19 1.45 1.38 52 L C C 85.42 8.70 15.33 24.72 106.32 48.33 -90.51 27.62 67.89 7.73 24.37 25.70 21.32 22.42 16.99 5.96 0.43 3.52 3.67 53 A C C 44.09 10.70 13.32 24.93 115.82 76.41 -89.52 141.46 62.02 4.78 33.20 26.41 19.26 18.04 20.85 10.69 0.23 2.26 2.26 54 P C H 78.77 6.40 15.09 22.59 102.59 -102.01 -69.41 22.08 57.55 2.21 40.24 21.00 13.09 24.52 26.11 12.96 0.11 1.16 1.04 55 T C H 77.90 6.53 14.42 22.05 103.56 71.74 -84.16 16.13 46.91 6.51 46.58 20.79 11.01 16.99 30.91 13.76 0.38 3.95 2.21 56 V H H 68.66 10.15 12.19 23.16 110.98 76.63 -92.41 115.52 42.92 13.58 43.51 23.60 10.69 11.27 31.60 9.65 0.54 8.63 4.02 57 K C C 108.86 7.73 13.24 22.03 110.38 -140.63 -90.01 113.07 50.51 11.31 38.17 30.52 10.52 10.96 28.93 8.16 0.21 7.33 3.36 58 K C T 128.80 5.42 13.56 20.32 106.97 -126.89 -79.54 77.90 63.54 5.52 30.95 24.83 13.73 25.80 22.32 7.92 0.17 3.30 1.92 59 N C C 101.72 5.35 14.08 20.51 101.95 26.58 -71.85 43.92 74.22 3.84 21.93 30.14 15.44 29.67 13.81 7.26 0.05 2.05 1.59 60 T C C 68.46 9.58 11.31 21.63 103.03 130.12 -84.94 2.32 74.54 4.32 21.15 38.12 17.43 19.58 11.48 9.14 0.03 2.22 2.01 61 T C C 92.16 4.92 14.49 20.60 102.51 69.67 -86.65 0.21 77.55 4.36 18.09 36.99 18.67 22.98 7.56 9.56 0.03 2.19 2.02 62 A C C 64.98 6.82 14.08 22.01 104.83 93.78 -82.57 60.88 81.67 3.72 14.60 33.09 20.46 29.33 4.36 9.21 0.01 1.96 1.58 63 G C C 37.36 8.73 15.41 24.84 112.75 -60.99 97.00 7.35 85.46 6.63 7.92 41.93 20.78 23.56 1.96 5.66 0.01 3.97 2.13 64 L C C 58.79 15.25 13.06 27.93 117.93 -70.11 -97.38 133.53 79.07 16.75 4.18 61.19 13.43 3.65 1.81 2.61 0.01 11.66 5.64 65 K C C 122.35 5.65 19.40 26.11 115.29 -141.63 -91.18 132.82 70.78 25.02 4.20 57.55 8.23 3.62 1.91 2.48 0.01 18.09 8.12 66 L C C 67.76 14.40 13.18 27.34 114.88 -141.58 -91.57 126.85 73.30 21.27 5.43 55.86 11.62 4.78 2.41 3.31 0.01 16.00 6.01 67 V C C 66.81 9.24 14.05 24.46 119.64 -158.84 -103.51 138.54 75.53 18.57 5.90 53.21 14.98 6.85 2.50 3.56 0.02 13.70 5.18 68 D C C 95.28 5.21 14.18 20.83 108.88 -127.36 -86.80 115.86 83.07 9.88 7.05 57.21 16.03 9.86 2.48 4.61 0.00 7.00 2.80 69 S C C 59.61 8.41 10.85 20.37 109.15 -163.05 -86.37 121.63 80.06 5.30 14.63 39.41 19.05 22.53 4.05 9.97 0.01 3.19 1.79 70 K C C 145.59 2.82 13.04 17.15 102.13 -128.03 -79.53 -4.24 75.47 7.48 17.05 32.65 21.83 22.49 5.05 10.93 0.04 4.12 2.88 71 N C C 94.77 5.69 11.12 18.24 109.50 57.21 -95.51 92.61 75.60 8.71 15.70 43.99 17.57 14.38 4.64 10.85 0.02 4.91 3.64 72 S C C 63.89 7.32 10.11 18.55 104.25 101.16 -86.71 15.88 76.17 7.38 16.46 43.46 12.64 20.63 4.27 11.75 0.02 4.34 2.90 73 A C T 81.05 3.36 12.15 16.90 102.17 78.63 -79.37 13.35 81.78 3.45 14.78 18.29 17.68 46.27 3.27 10.96 0.02 1.97 1.55 74 G C T 52.50 3.57 13.73 18.31 100.65 -26.36 80.12 -0.29 86.70 3.57 9.72 19.30 24.54 43.38 1.61 7.75 0.01 2.21 1.20 75 V C C 70.13 9.82 10.85 21.56 115.03 103.03 -95.38 130.67 75.14 19.53 5.34 42.61 18.95 14.30 1.42 4.10 0.02 13.95 4.64 76 I C C 108.15 5.74 14.92 22.04 114.42 -166.46 -102.08 125.12 64.81 32.07 3.13 42.54 15.67 6.72 1.13 2.29 0.05 23.50 8.10 77 S C C 45.53 11.77 12.74 24.95 122.34 86.38 -113.22 152.71 68.64 29.29 2.07 48.02 13.88 6.46 0.66 1.63 0.01 23.07 6.26 78 N C C 112.85 4.65 17.28 22.98 102.80 -140.36 -90.87 16.39 81.97 17.10 0.93 42.88 34.22 5.76 0.20 0.84 0.00 13.04 3.05 79 D C C 52.69 12.52 13.24 26.50 112.92 131.22 -95.94 115.36 90.79 8.85 0.36 67.43 22.04 1.49 0.11 0.30 0.00 5.60 3.04 80 P C T 80.66 7.83 16.88 25.80 96.27 -150.09 -68.97 -17.02 92.49 4.18 3.33 27.70 19.09 45.97 0.46 3.00 0.00 2.70 1.07 81 A C T 51.23 10.60 18.65 29.24 100.07 73.44 -85.12 -6.26 91.09 4.96 3.95 17.42 21.93 51.85 0.51 3.65 0.00 3.20 1.42 82 G C C 19.68 14.06 20.31 34.02 120.31 -116.07 90.50 173.13 88.50 8.72 2.78 51.43 26.73 10.55 0.50 2.53 0.00 5.13 3.12 83 F C C 23.17 22.79 17.74 39.69 118.99 -73.13 -98.27 135.63 76.95 22.45 0.60 66.84 8.01 0.59 0.39 0.25 0.00 8.64 15.30 84 T C C 37.41 11.51 25.88 37.26 130.20 -161.50 -105.08 171.99 81.40 17.76 0.84 73.16 7.40 0.26 0.85 0.11 0.00 4.64 13.59 85 I H H 52.11 18.15 21.32 38.63 91.29 -95.03 -59.76 -37.92 0.70 0.00 99.29 0.08 0.09 0.43 99.28 0.12 0.00 0.00 0.00 86 V H H 61.32 10.75 25.52 36.15 91.72 53.11 -64.17 -41.54 0.20 0.00 99.79 0.02 0.01 0.13 99.74 0.09 0.00 0.00 0.00 87 D H H 26.49 17.34 24.58 41.12 91.73 50.03 -65.05 -41.31 0.06 0.00 99.94 0.01 0.00 0.03 99.89 0.06 0.00 0.00 0.00 88 V H H 7.62 24.02 23.80 46.78 91.90 49.09 -64.35 -43.17 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 89 L H H 42.50 17.01 26.95 42.81 91.94 49.60 -63.95 -42.08 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 90 A H H 35.85 11.12 28.14 39.89 91.59 50.04 -63.94 -42.51 0.18 0.00 99.82 0.01 0.00 0.15 99.81 0.03 0.00 0.00 0.00 91 M H H 28.34 18.52 27.41 45.18 92.00 48.91 -65.12 -41.48 0.68 0.00 99.32 0.03 0.02 0.60 99.28 0.07 0.00 0.00 0.00 92 G H H 4.85 23.32 25.54 47.67 92.06 51.30 -64.23 -42.64 2.44 0.00 97.56 0.12 0.11 2.01 97.63 0.13 0.00 0.00 0.00 93 A H H 32.30 14.01 28.04 42.05 91.61 50.18 -64.13 -42.25 2.22 0.01 97.77 0.29 0.22 1.59 97.69 0.19 0.00 0.00 0.00 94 A H H 39.88 9.48 29.22 39.75 91.46 49.60 -63.90 -42.54 1.12 0.00 98.87 0.20 0.13 0.74 98.77 0.16 0.00 0.00 0.00 95 G H H 7.37 19.86 25.05 44.34 91.89 50.53 -64.27 -42.76 0.82 0.00 99.18 0.17 0.07 0.50 99.13 0.13 0.00 0.00 0.00 96 H H H 32.75 19.99 25.38 44.12 91.70 50.45 -63.91 -42.16 0.53 0.00 99.46 0.10 0.04 0.34 99.41 0.11 0.00 0.00 0.00 97 G H H 28.28 10.06 27.41 37.72 91.79 50.06 -63.64 -42.62 0.36 0.00 99.64 0.05 0.02 0.24 99.61 0.08 0.00 0.00 0.00 98 L H H 64.95 8.76 27.68 37.15 91.71 48.59 -64.30 -42.08 0.28 0.00 99.72 0.03 0.01 0.18 99.72 0.05 0.00 0.00 0.00 99 G H H 6.31 20.72 22.35 42.58 91.77 50.68 -63.69 -42.87 0.34 0.00 99.66 0.03 0.01 0.23 99.68 0.05 0.00 0.00 0.00 100 V H H 37.36 16.17 24.22 39.59 91.56 50.77 -63.44 -42.73 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.03 0.00 0.00 0.00 101 G H H 32.07 6.51 25.95 32.57 91.61 50.45 -63.83 -42.48 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 102 I H H 53.25 11.74 24.02 35.78 91.90 49.21 -64.46 -42.54 0.23 0.00 99.77 0.01 0.01 0.16 99.78 0.04 0.00 0.00 0.00 103 V H H 19.34 19.76 20.52 39.73 91.77 49.14 -64.16 -43.02 0.38 0.00 99.62 0.03 0.02 0.27 99.61 0.07 0.00 0.00 0.00 104 L H H 64.97 9.14 22.77 32.12 91.47 49.80 -63.25 -42.16 1.03 0.00 98.96 0.11 0.06 0.75 98.81 0.27 0.00 0.00 0.00 105 G H H 30.53 5.04 21.33 26.68 91.71 50.69 -63.88 -41.65 3.88 0.01 96.11 0.31 0.22 3.17 95.47 0.81 0.01 0.00 0.00 106 L H H 39.95 12.59 16.65 30.10 92.25 49.87 -65.75 -40.29 7.58 0.06 92.36 1.04 0.77 5.75 90.58 1.76 0.04 0.03 0.03 107 K H H 93.10 10.61 15.66 26.65 92.30 52.16 -64.84 -38.20 13.64 0.23 86.13 2.43 1.76 10.05 82.29 3.13 0.12 0.11 0.12 108 G H H 52.77 2.66 15.59 18.84 92.23 52.60 -69.09 -24.79 31.20 0.32 68.48 3.48 3.17 24.97 64.44 3.48 0.13 0.14 0.18 109 I C T 106.79 3.96 12.98 18.04 95.97 52.84 -86.56 -2.55 67.59 0.55 31.86 3.51 7.13 55.43 29.15 4.05 0.08 0.24 0.42 110 G C T 54.99 2.82 13.51 17.63 97.70 -106.71 80.07 10.25 86.68 0.73 12.59 10.94 9.68 65.64 10.49 2.50 0.01 0.35 0.40 111 A C C 60.94 6.94 12.33 20.67 101.23 120.77 -82.29 -5.23 95.54 1.22 3.25 85.53 1.88 8.63 1.94 0.74 0.00 0.65 0.64 112 L C C 71.86 13.99 12.96 26.34 107.73 78.67 -89.28 84.85 99.57 0.41 0.02 99.48 0.18 0.04 0.01 0.00 0.00 0.22 0.06