# 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 116.57 5.11 11.06 17.86 115.58 -164.59 -98.61 135.26 99.49 0.39 0.12 99.35 0.18 0.11 0.06 0.02 0.00 0.20 0.07 1 A C C 78.67 3.31 8.90 13.95 113.21 -145.13 -91.60 133.40 73.15 7.62 19.23 67.34 1.66 5.12 14.31 3.73 0.00 5.38 2.46 2 S C C 87.01 2.01 7.82 11.47 109.21 -136.68 -87.62 110.80 59.96 12.64 27.40 43.38 8.37 8.68 16.98 9.98 0.03 9.87 2.71 3 L C C 131.46 1.81 7.38 10.77 108.64 -139.93 -87.64 99.40 51.90 14.71 33.39 34.39 9.45 9.30 19.32 13.25 0.08 11.65 2.56 4 L C C 131.30 1.78 7.37 10.76 109.54 74.27 -90.83 105.72 53.87 15.93 30.21 35.31 9.29 9.94 18.91 10.87 0.08 12.26 3.36 5 L C C 134.36 1.54 7.35 10.44 112.62 -153.30 -93.12 124.94 65.52 14.19 20.29 39.79 12.40 13.65 13.82 6.37 0.10 9.88 3.98 6 G C C 56.17 1.96 8.60 12.10 118.28 -154.36 -117.71 161.22 86.50 9.85 3.65 49.83 25.99 10.97 1.95 1.81 0.00 6.66 2.77 7 T C C 109.08 1.62 8.43 11.60 116.94 -88.09 -92.79 139.29 94.96 4.63 0.41 76.08 18.25 0.80 0.18 0.23 0.00 2.94 1.50 8 P C C 108.42 2.29 8.15 12.39 114.43 -106.10 -71.65 145.63 96.84 2.42 0.75 88.35 6.95 1.63 0.25 0.48 0.00 1.56 0.78 9 S C C 89.37 1.93 7.76 11.47 113.76 -105.53 -76.79 142.50 93.76 4.32 1.92 84.56 6.29 2.74 0.66 1.20 0.00 2.42 2.13 10 M C C 150.61 1.40 7.35 10.24 114.05 -135.54 -92.44 132.92 84.52 9.35 6.14 65.88 12.76 4.81 2.08 4.35 0.00 5.00 5.13 11 A C C 91.70 1.44 7.12 10.06 114.48 -134.76 -88.78 134.11 81.90 7.42 10.68 62.44 12.36 6.86 2.75 8.20 0.00 5.15 2.23 12 C C C 107.41 1.66 7.01 10.35 115.54 -141.96 -95.77 132.98 81.31 7.79 10.90 62.46 11.40 7.23 2.78 8.41 0.00 5.68 2.05 13 H C C 155.10 1.61 7.57 10.75 116.79 -156.65 -103.37 132.12 81.07 9.76 9.16 60.19 13.90 6.65 2.82 6.60 0.00 6.82 3.01 14 S C C 93.75 1.37 7.62 10.48 116.68 -147.18 -99.49 133.59 84.93 9.18 5.88 71.03 8.91 4.52 2.22 3.79 0.00 6.52 3.00 15 V C C 115.07 2.40 7.01 11.34 118.03 -158.61 -105.76 134.31 89.51 6.83 3.66 78.48 7.47 3.47 1.62 1.91 0.00 5.08 1.98 16 S C C 91.39 1.57 8.43 11.55 116.35 -149.92 -102.00 130.50 86.84 9.24 3.92 76.36 6.66 3.51 1.97 1.92 0.00 6.42 3.16 17 F C C 154.37 2.70 7.25 11.90 116.15 -162.55 -105.42 130.88 77.65 11.36 10.99 60.93 9.87 6.11 6.73 4.68 0.01 7.84 3.82 18 S C C 85.90 2.01 8.62 12.20 116.11 -158.39 -101.99 138.66 73.61 11.38 15.01 54.48 10.67 8.02 8.52 6.85 0.02 8.22 3.22 19 F C C 156.36 2.57 8.07 12.39 110.31 -152.10 -96.82 99.59 65.11 10.54 24.36 40.53 13.27 11.78 13.09 11.10 0.08 7.10 3.03 20 S C C 79.67 3.11 8.50 13.33 110.76 103.71 -94.70 115.78 64.85 9.55 25.60 40.16 13.18 11.74 14.65 10.96 0.09 6.48 2.74 21 H C C 145.74 2.42 9.29 13.28 110.17 -153.63 -95.71 103.60 65.05 9.16 25.78 40.93 13.25 10.96 16.44 9.55 0.12 5.97 2.79 22 S C C 75.88 4.00 8.62 14.34 113.09 111.86 -93.17 127.01 66.01 8.33 25.66 43.13 13.44 9.33 18.21 7.89 0.08 5.56 2.37 23 Q C C 132.38 2.64 9.77 13.99 110.65 -159.42 -95.12 101.38 62.39 10.42 27.19 39.02 12.49 10.95 20.04 7.41 0.17 7.41 2.49 24 S C C 82.32 2.62 9.37 13.55 111.33 72.82 -91.75 126.46 63.50 12.55 23.95 43.21 10.01 9.75 17.90 6.74 0.16 9.17 3.07 25 V C C 108.05 3.47 8.76 13.80 109.93 -148.29 -93.46 93.87 64.35 13.16 22.49 45.25 9.91 8.52 17.95 5.34 0.13 9.55 3.37 26 A C C 82.65 2.62 9.16 13.37 113.42 70.84 -94.63 128.97 67.84 10.73 21.42 42.96 11.84 12.57 16.58 5.51 0.09 8.05 2.41 27 G C C 55.14 2.56 10.15 14.16 112.31 -145.00 -100.32 138.43 70.83 10.88 18.28 42.28 14.86 14.04 12.26 6.16 0.11 7.84 2.45 28 V C C 113.04 2.57 8.86 13.10 111.99 -142.68 -92.44 119.38 69.32 13.85 16.83 47.75 12.62 8.87 10.92 6.29 0.10 10.32 3.11 29 S C C 83.83 2.63 8.98 13.33 112.74 -143.36 -91.75 130.37 72.14 14.60 13.26 52.87 9.92 8.50 8.59 5.27 0.04 11.09 3.71 30 L C C 126.05 2.61 8.47 12.86 110.32 -155.33 -93.26 105.56 78.80 12.41 8.79 53.59 14.55 10.33 5.25 3.81 0.04 8.55 3.88 31 S C C 88.18 1.99 9.42 12.92 113.22 -154.59 -96.47 128.94 89.44 7.35 3.20 65.22 16.84 7.20 1.60 1.67 0.00 5.04 2.43 32 S C C 78.56 3.29 8.54 13.82 118.25 -146.65 -102.35 138.99 95.33 4.08 0.60 75.84 18.27 1.30 0.27 0.33 0.00 2.45 1.53 33 P C C 103.14 2.60 9.83 14.08 114.45 -110.02 -76.22 146.61 95.69 2.33 1.98 84.01 9.73 1.97 0.92 1.03 0.00 1.37 0.98 34 P C C 103.08 3.30 8.55 13.84 110.71 -110.07 -73.00 140.30 89.17 2.93 7.91 78.12 6.33 4.88 3.37 4.26 0.00 1.81 1.22 35 T C C 105.20 2.40 9.32 13.29 112.19 -149.54 -91.57 124.35 75.87 7.53 16.60 59.18 9.42 7.06 7.23 9.45 0.01 4.76 2.90 36 L C C 122.42 3.00 8.76 13.43 109.69 -157.61 -94.72 103.26 63.19 10.32 26.49 43.90 11.31 8.69 11.25 14.87 0.03 7.37 2.57 37 S C C 81.34 3.07 9.32 14.00 111.16 -146.81 -92.86 120.33 63.00 11.68 25.32 45.94 9.08 8.42 11.17 13.86 0.03 8.88 2.61 38 L C C 123.21 3.03 9.18 13.78 107.21 -155.71 -91.14 55.13 64.83 12.94 22.23 44.48 11.10 9.39 10.93 11.35 0.07 8.94 3.73 39 S C C 81.15 2.99 9.58 14.16 111.63 82.85 -94.19 113.34 75.73 10.43 13.84 54.81 11.50 8.93 8.00 6.15 0.02 7.47 3.13 40 S C C 81.15 3.27 9.14 14.17 111.53 -156.36 -92.92 119.82 81.43 9.26 9.31 59.46 13.42 8.33 4.92 4.51 0.01 6.93 2.42 41 S C C 87.01 2.27 9.70 13.36 109.43 -133.46 -91.90 96.75 79.51 12.31 8.18 58.60 12.58 7.98 4.00 4.25 0.01 9.23 3.35 42 V C C 111.45 3.01 8.74 13.46 111.29 90.55 -94.53 114.92 78.08 14.65 7.27 57.03 12.70 8.02 3.26 4.10 0.01 10.78 4.10 43 S C C 84.40 2.63 8.98 13.38 112.76 -151.28 -93.10 128.52 80.15 14.26 5.59 55.13 16.93 8.07 2.37 3.33 0.01 10.20 3.96 44 T C C 105.95 2.21 9.70 13.52 115.82 -148.58 -99.72 130.14 83.61 13.29 3.11 57.22 21.83 4.47 1.52 1.73 0.01 8.19 5.03 45 S C C 79.52 3.55 8.90 14.46 117.35 -123.55 -92.03 142.28 93.70 5.41 0.89 75.97 16.00 1.71 0.42 0.53 0.00 3.74 1.64 46 P C C 94.71 3.85 9.64 15.32 114.10 -105.31 -69.71 149.51 94.20 3.95 1.85 81.49 8.62 3.95 0.62 1.23 0.00 2.86 1.21 47 A C C 90.04 2.18 10.62 14.21 111.27 -111.62 -79.34 136.21 87.86 9.54 2.60 62.55 20.83 4.22 1.02 1.70 0.00 5.57 4.10 48 L C C 108.22 4.81 9.06 15.76 119.00 -137.23 -102.47 136.40 86.81 10.77 2.42 57.48 28.03 1.71 1.44 1.14 0.00 7.10 3.10 49 P C C 94.00 3.88 11.97 17.24 112.78 -110.31 -70.66 145.23 85.66 10.21 4.14 75.06 7.22 3.15 1.88 2.22 0.00 8.42 2.05 50 L C C 109.95 5.86 10.39 17.81 114.84 -132.73 -92.78 133.99 68.60 22.18 9.23 49.45 13.90 5.67 4.69 4.70 0.04 17.90 3.66 51 I C C 101.08 6.08 11.91 19.46 118.38 -157.82 -107.07 132.35 55.35 35.96 8.69 41.90 9.91 4.35 5.16 3.92 0.05 30.24 4.47 52 Y C C 144.01 5.31 13.22 20.00 117.40 -146.26 -100.13 129.57 58.20 34.34 7.46 44.87 9.07 4.14 4.68 3.30 0.04 28.92 4.97 53 C C C 63.97 8.74 11.06 20.91 116.75 -161.80 -104.55 137.34 77.02 18.73 4.26 58.08 11.95 6.75 2.14 2.31 0.01 15.84 2.93 54 G C C 41.61 6.29 12.72 20.09 114.57 -134.17 -78.42 160.82 85.06 10.85 4.08 51.76 20.21 13.51 1.25 2.94 0.01 7.77 2.55 55 R C T 163.58 3.30 12.97 17.38 110.56 -49.89 -87.31 112.48 83.00 10.20 6.80 22.94 28.06 32.94 1.67 4.78 0.07 6.48 3.07 56 G C T 48.82 4.25 13.32 18.57 109.13 8.20 87.14 -5.63 88.35 5.85 5.80 24.47 31.70 32.77 1.13 4.46 0.01 4.05 1.41 57 D C C 80.37 7.74 10.67 19.56 112.27 121.40 -89.54 124.92 83.99 9.63 6.38 56.99 18.01 9.22 1.68 4.88 0.01 6.80 2.41 58 R C C 147.39 3.96 13.35 18.75 117.19 -152.14 -95.70 137.42 70.58 23.80 5.62 49.71 14.87 6.51 2.35 3.43 0.04 18.46 4.64 59 K C C 121.36 6.40 11.18 19.01 113.80 -120.66 -84.53 134.03 58.53 36.55 4.92 44.27 8.80 3.58 2.71 2.67 0.09 26.62 11.25 60 T C C 61.05 6.41 9.94 18.00 121.75 -153.03 -97.49 160.99 71.39 25.28 3.32 56.87 10.37 2.91 1.86 1.72 0.03 17.32 8.93 61 A C T 88.45 1.78 11.44 13.90 94.96 -103.29 -66.31 -30.24 79.99 10.69 9.32 19.82 22.87 38.61 3.01 5.57 0.07 7.74 2.32 62 K C T 151.84 1.54 11.12 13.18 98.76 50.55 -79.41 2.66 90.25 2.54 7.22 7.66 14.66 67.99 2.19 4.84 0.01 1.91 0.74 63 G C T 41.66 4.93 11.23 17.60 103.13 -21.37 81.68 -2.99 88.47 5.25 6.28 20.14 20.14 48.71 1.84 4.17 0.01 3.86 1.14 64 K C C 107.54 5.54 11.01 18.16 112.25 116.25 -88.19 129.35 73.28 22.19 4.54 54.36 10.85 7.75 2.27 2.56 0.01 16.90 5.29 65 R C C 133.58 4.98 12.37 18.64 110.59 -153.33 -94.22 118.27 54.98 39.07 5.95 40.42 9.20 4.47 3.74 2.72 0.06 26.89 12.50 66 F C C 113.69 6.61 11.53 19.35 107.82 54.15 -88.88 83.07 70.33 22.39 7.29 53.41 9.73 6.80 3.87 3.64 0.02 18.34 4.18 67 N C C 102.96 4.52 12.85 18.62 104.48 61.98 -87.81 20.98 78.62 11.69 9.70 40.02 20.17 19.38 3.56 5.87 0.03 8.70 2.27 68 H C C 131.83 3.78 12.73 17.73 102.67 59.46 -90.62 15.24 79.97 9.29 10.74 34.86 23.61 22.92 3.38 6.75 0.04 5.78 2.65 69 S C C 58.15 6.81 10.70 18.94 109.06 103.70 -93.80 99.13 79.48 10.54 9.98 49.23 16.17 14.38 3.31 6.63 0.02 6.42 3.85 70 F C T 136.98 4.53 11.44 17.44 108.78 56.11 -89.33 77.23 79.84 9.52 10.64 30.77 18.76 31.56 3.32 6.52 0.06 5.43 3.58 71 G C T 48.48 4.26 12.82 18.37 105.30 -6.06 80.93 -12.26 85.57 5.93 8.50 28.15 23.44 35.04 2.07 5.77 0.02 3.82 1.69 72 N C C 104.14 4.31 12.39 18.05 108.40 84.02 -93.60 97.78 81.34 12.02 6.64 49.07 21.16 11.45 1.91 4.62 0.01 7.03 4.75 73 A C C 64.73 6.13 10.45 18.24 113.24 106.90 -92.18 132.05 80.69 16.39 2.92 59.05 17.37 3.20 1.28 1.72 0.00 8.97 8.41 74 R C C 140.38 4.75 11.09 17.80 118.29 -139.82 -93.40 136.04 93.47 6.14 0.39 82.94 10.22 0.47 0.22 0.18 0.00 4.41 1.57 75 P C C 79.23 5.57 10.15 17.55 113.32 -107.01 -66.14 148.44 85.64 10.05 4.31 76.13 4.98 3.60 1.84 2.54 0.00 5.63 5.28 76 K C C 153.69 2.30 10.28 14.07 100.77 -123.93 -78.29 -15.16 85.91 4.31 9.78 53.62 22.07 10.07 3.96 5.61 0.00 2.09 2.57 77 N C C 103.18 3.50 9.30 14.45 107.94 65.91 -93.36 98.66 80.91 3.73 15.36 49.05 20.08 11.45 6.30 9.03 0.01 1.80 2.28 78 K C C 149.67 2.70 9.93 14.13 98.61 -156.60 -78.78 -12.29 75.94 3.04 21.03 42.55 16.63 17.14 8.26 12.28 0.01 1.59 1.54 79 N C C 112.33 2.68 10.04 14.19 104.07 69.64 -90.02 41.42 78.30 3.55 18.16 45.67 14.51 18.13 7.42 10.56 0.01 1.88 1.82 80 K C C 137.15 3.68 9.64 14.97 104.47 93.57 -86.19 40.11 82.01 3.50 14.49 45.16 17.49 19.80 6.38 7.57 0.02 1.75 1.84 81 G C C 51.14 3.73 10.56 15.97 104.97 -70.70 71.07 29.71 89.93 2.65 7.43 51.48 18.04 20.51 3.25 4.07 0.00 1.42 1.22 82 R C C 161.44 2.86 10.92 15.27 110.57 117.29 -95.32 108.21 90.46 5.93 3.60 59.49 23.48 7.10 1.61 1.95 0.00 2.53 3.83 83 G C C 41.63 4.05 11.63 17.23 127.14 -95.97 116.71 174.37 96.34 3.34 0.32 57.92 37.80 0.93 0.12 0.19 0.00 1.53 1.51 84 P C C 94.28 3.35 11.94 16.74 114.99 -51.04 -71.83 146.88 98.23 1.45 0.32 89.14 8.35 0.79 0.13 0.18 0.00 0.80 0.62 85 P C C 92.16 4.99 9.86 16.62 111.94 -103.67 -67.33 146.95 96.15 2.44 1.41 86.21 6.52 3.23 0.45 1.01 0.00 1.30 1.29 86 K C C 153.73 2.22 10.60 14.48 112.56 -117.81 -86.02 132.90 91.10 7.34 1.56 72.00 14.67 3.41 0.57 1.15 0.00 3.26 4.93 87 A C C 75.54 3.81 8.87 14.61 115.44 -116.55 -86.14 138.27 93.69 5.36 0.95 78.44 14.40 0.89 0.53 0.47 0.00 3.47 1.80 88 P C C 100.76 3.19 9.43 14.36 109.45 -109.90 -69.48 143.10 90.48 7.77 1.75 80.68 6.86 2.54 0.66 1.16 0.00 4.76 3.34 89 I C C 134.11 2.11 9.13 12.83 110.08 -142.05 -91.30 118.29 90.16 8.57 1.26 72.94 14.70 1.77 0.53 0.77 0.00 4.13 5.16 90 F C C 133.63 4.35 7.50 13.76 116.55 -118.33 -93.45 137.79 96.36 3.14 0.49 86.26 9.42 0.69 0.20 0.28 0.00 1.78 1.36 91 P C C 99.84 2.55 8.94 13.19 112.90 -108.66 -68.69 146.86 92.92 3.80 3.28 81.45 5.70 5.14 0.78 2.65 0.00 1.80 2.48 92 K C C 170.39 1.07 8.76 10.84 110.20 -113.40 -80.84 130.68 93.63 2.36 4.01 58.97 16.53 17.67 0.73 3.64 0.00 1.23 1.23 93 G C C 56.94 1.86 9.28 12.38 115.45 -15.21 -96.57 171.02 93.85 2.62 3.53 54.12 25.02 14.36 0.69 3.06 0.00 1.24 1.51 94 D C C 99.70 2.91 8.73 13.39 116.39 -101.88 -89.84 140.55 96.96 1.30 1.75 75.69 20.02 1.34 0.93 0.66 0.00 0.53 0.83 95 P C C 98.05 3.06 8.63 13.49 107.55 -108.60 -67.37 139.07 75.52 1.20 23.28 53.30 8.08 14.44 9.98 12.87 0.00 0.63 0.69 96 S C C 79.70 2.64 8.71 12.91 109.04 -103.18 -80.13 128.95 68.80 2.38 28.82 44.61 8.60 15.94 12.20 16.22 0.01 1.40 1.02 97 Q C C 126.51 2.61 7.83 12.05 106.84 -129.70 -85.62 101.30 59.40 5.13 35.48 39.90 9.03 10.97 15.43 19.61 0.02 3.42 1.62 98 K C C 151.20 1.99 7.83 11.32 107.24 67.11 -85.40 84.40 62.89 5.47 31.63 40.16 10.82 12.32 17.00 14.32 0.03 3.53 1.81 99 E C C 145.26 1.84 7.46 10.79 104.84 65.33 -84.66 50.49 76.70 3.07 20.23 62.07 2.89 13.20 11.33 7.31 0.00 2.00 1.21 100 D C C 112.33 2.25 9.96 13.66 106.77 68.61 -83.60 88.15 99.44 0.14 0.42 98.69 0.30 0.57 0.28 0.06 0.00 0.08 0.03