# 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 T C C 98.05 3.07 12.97 17.50 117.12 -160.34 -101.19 139.94 99.51 0.46 0.03 99.41 0.20 0.06 0.01 0.00 0.00 0.24 0.08 1 A C C 75.10 5.13 8.70 15.65 115.59 -131.53 -86.95 138.37 93.07 5.63 1.30 89.01 2.38 1.74 0.77 0.37 0.00 2.69 3.04 2 S C C 69.28 3.82 9.47 15.17 117.05 -128.24 -89.52 144.20 93.87 3.49 2.64 72.34 18.88 2.63 1.71 0.94 0.00 1.83 1.67 3 P C C 100.54 3.03 10.12 14.83 105.15 -107.33 -66.15 144.51 74.88 3.53 21.59 51.10 11.04 12.73 11.92 9.60 0.01 2.13 1.47 4 A C C 75.25 4.31 9.93 15.77 107.24 -109.62 -81.09 101.75 65.81 5.61 28.58 41.97 11.56 12.57 15.65 12.73 0.03 3.36 2.15 5 D C C 95.54 4.46 10.65 16.62 104.70 0.76 -86.70 55.89 63.27 6.24 30.49 46.09 8.06 9.23 16.15 14.35 0.02 4.13 1.97 6 T C C 87.60 5.63 10.47 17.49 102.97 112.81 -87.38 2.07 65.30 7.39 27.31 40.06 10.93 14.58 16.04 11.20 0.06 4.92 2.22 7 N C C 109.73 3.55 12.84 17.54 102.72 74.81 -93.38 16.39 69.37 11.12 19.51 36.53 15.19 18.68 10.87 8.16 0.14 7.39 3.03 8 V C C 84.71 7.00 10.16 18.75 115.67 124.04 -94.48 131.34 78.29 14.98 6.73 50.99 20.78 6.61 4.03 2.85 0.06 9.02 5.65 9 V C C 80.85 5.49 11.79 19.12 119.05 -158.86 -107.40 133.16 89.72 9.72 0.56 63.30 26.52 0.63 0.35 0.22 0.00 5.89 3.09 10 P C C 73.33 4.26 12.87 18.71 113.89 -106.95 -64.53 149.00 94.34 3.99 1.67 92.00 2.02 0.94 0.70 0.68 0.00 2.23 1.42 11 A H G 69.68 7.15 9.50 17.95 95.29 -112.12 -61.10 -31.09 47.78 1.39 50.84 23.64 7.15 14.68 2.53 50.79 0.00 0.90 0.30 12 K H G 164.71 1.26 12.63 13.85 94.84 62.83 -74.89 -12.89 45.98 1.43 52.59 10.16 8.10 26.77 2.15 51.57 0.00 0.90 0.34 13 D H G 111.08 2.09 12.32 15.17 99.28 49.05 -97.05 7.45 44.03 1.62 54.35 14.14 9.65 19.28 1.98 53.56 0.00 0.94 0.45 14 A C S 43.51 9.89 7.54 18.42 116.70 112.63 -83.98 140.56 97.74 1.56 0.70 47.00 50.18 0.78 0.30 0.28 0.00 0.49 0.98 15 P C C 91.18 3.10 12.73 17.06 112.89 -107.74 -69.47 147.33 93.44 4.42 2.14 84.78 5.81 2.57 0.78 1.22 0.00 2.25 2.58 16 T C C 92.87 5.38 9.26 16.37 111.68 -128.64 -87.81 126.54 84.20 10.84 4.96 69.92 7.33 5.61 1.81 3.14 0.00 5.39 6.80 17 T C C 101.07 2.80 10.20 14.59 109.34 -156.44 -91.75 101.69 88.08 6.71 5.20 50.73 18.13 19.51 1.19 4.04 0.00 4.16 2.25 18 N C C 127.41 1.82 11.03 13.70 111.38 -41.96 -92.55 110.32 90.82 5.48 3.70 42.90 27.60 20.62 0.71 3.13 0.00 3.23 1.81 19 S C C 77.17 4.03 9.02 15.05 117.79 120.89 -100.12 133.63 95.00 4.56 0.43 63.27 30.55 1.51 0.14 0.29 0.00 2.08 2.16 20 P C C 84.48 5.53 8.98 16.28 115.24 -107.68 -73.37 148.70 97.33 2.26 0.40 83.19 12.61 1.57 0.13 0.27 0.00 1.26 0.97 21 P C C 106.48 2.24 11.37 14.98 112.45 -104.20 -69.95 144.96 95.14 3.23 1.63 81.23 8.51 5.24 0.50 1.12 0.00 1.99 1.40 22 S C C 86.72 3.25 8.93 13.84 113.56 -127.81 -88.94 134.61 88.13 8.29 3.58 67.04 12.58 8.00 1.20 2.43 0.00 5.05 3.70 23 T C C 99.37 3.06 9.27 14.14 112.72 -155.47 -102.08 120.22 87.71 8.78 3.51 64.08 14.69 8.76 1.44 2.08 0.00 5.90 3.05 24 T C C 104.91 2.58 10.14 14.09 112.76 -154.01 -98.59 116.75 88.68 7.33 3.99 62.11 20.37 6.18 2.35 1.72 0.00 4.42 2.85 25 S C C 75.55 3.57 10.40 15.82 117.68 -124.64 -97.03 138.00 89.68 3.94 6.38 64.71 22.27 2.34 5.95 1.12 0.00 2.07 1.55 26 P C C 84.62 5.74 10.43 17.79 112.01 -107.36 -66.68 149.28 69.98 3.47 26.55 56.75 5.33 6.50 24.44 3.65 0.00 2.30 1.03 27 N C C 103.98 4.21 11.97 17.68 112.21 -130.16 -86.02 132.34 59.10 7.31 33.59 46.42 6.01 6.37 29.94 4.20 0.02 4.65 2.39 28 Q H H 111.77 5.47 11.78 18.66 100.79 -140.37 -76.95 -21.88 30.04 7.03 62.92 20.95 6.11 6.07 53.88 6.16 0.12 5.29 1.41 29 A H H 64.39 5.29 12.85 19.45 97.63 69.76 -69.86 -32.90 25.24 5.79 68.97 16.43 4.83 6.52 58.82 7.40 0.10 4.93 0.97 30 A H H 62.97 4.96 14.17 20.11 96.94 55.33 -76.34 -20.72 26.02 5.78 68.21 15.51 5.17 7.81 57.41 8.09 0.14 4.74 1.12 31 A H H 54.65 7.87 12.13 21.11 101.05 64.13 -79.32 -12.80 33.63 4.87 61.50 17.76 7.77 10.88 52.60 6.16 0.16 3.36 1.28 32 D C H 73.79 6.48 13.02 20.86 106.04 62.53 -88.39 82.65 54.06 4.47 41.47 32.02 11.15 11.91 36.54 4.35 0.07 2.54 1.42 33 A H H 67.79 4.71 12.86 18.84 96.44 115.06 -68.38 -27.10 46.55 3.22 50.23 16.51 9.67 20.87 37.85 11.76 0.24 1.99 1.12 34 N C H 103.81 3.46 12.99 17.43 95.77 59.29 -78.20 -13.47 49.23 3.64 47.13 18.00 9.01 22.63 34.53 12.06 0.22 2.29 1.25 35 Q C H 94.53 7.34 10.74 19.25 99.40 67.94 -79.45 -6.41 49.70 7.09 43.21 28.46 9.91 12.26 30.99 11.55 0.13 4.47 2.24 36 Q C C 123.06 3.66 12.74 17.75 97.59 74.61 -74.52 -17.13 55.27 8.21 36.51 27.70 11.07 17.37 26.50 9.36 0.24 5.31 2.45 37 Q C C 121.71 3.79 12.32 17.07 101.35 58.36 -88.36 7.12 62.15 8.17 29.67 28.72 12.36 21.96 19.16 9.90 0.19 5.16 2.55 38 A C T 68.38 6.14 11.42 18.92 109.11 109.44 -78.97 116.59 76.19 6.48 17.33 19.46 14.96 42.42 9.51 7.27 0.07 4.39 1.92 39 G C T 52.69 3.49 15.09 19.39 100.79 -5.19 82.60 5.25 83.90 11.18 4.91 20.83 18.46 45.36 1.36 3.09 0.01 9.81 1.08 40 I C E 73.80 10.84 9.88 21.78 117.83 135.67 -94.64 132.58 51.79 46.87 1.34 41.53 7.86 1.77 0.62 0.89 0.01 41.73 5.59 41 V E E 100.38 3.68 16.07 21.18 122.41 -167.37 -119.20 137.14 38.80 60.26 0.95 32.71 4.14 0.93 0.50 0.56 0.00 54.16 7.00 42 S C C 55.19 11.24 10.69 22.38 119.20 -137.87 -90.33 146.48 55.30 42.55 2.15 47.00 5.37 1.95 0.78 1.37 0.00 39.80 3.72 43 S C C 77.12 4.17 13.78 19.12 106.41 -151.49 -89.54 34.45 77.00 13.96 9.04 36.21 24.49 17.73 1.28 7.39 0.01 11.15 1.75 44 Q C C 119.00 4.39 12.04 17.97 113.59 -18.96 -92.58 126.60 77.37 13.35 9.28 35.84 22.46 20.91 1.35 7.53 0.02 9.01 2.87 45 S C C 77.62 4.63 11.24 17.50 111.64 -158.59 -100.21 119.58 79.14 13.20 7.66 45.52 22.74 11.17 1.61 6.03 0.02 6.78 6.15 46 G C C 36.76 4.59 12.51 18.58 131.11 58.35 119.95 -175.03 88.51 6.96 4.52 50.57 30.10 7.63 1.13 3.57 0.00 3.33 3.66 47 P C T 106.93 2.50 13.43 16.72 105.86 -52.12 -69.26 124.13 69.62 2.47 27.92 17.61 14.10 38.50 4.64 22.62 0.02 1.33 1.17 48 N C T 106.83 4.66 12.35 18.33 103.32 19.37 -84.63 32.49 68.16 3.54 28.30 15.25 13.07 40.39 5.71 21.83 0.06 2.07 1.62 49 A C C 57.98 7.64 11.91 20.77 108.32 84.77 -86.76 102.81 62.22 10.96 26.82 31.14 14.49 18.53 6.44 18.93 0.14 6.13 4.20 50 V C C 87.55 6.66 13.31 21.19 110.31 -159.83 -91.37 113.27 63.38 17.95 18.67 28.90 15.03 20.81 8.34 9.29 0.43 9.36 7.84 51 G C T 44.85 6.44 14.12 21.39 105.45 25.90 72.21 -23.68 70.93 10.75 18.33 27.72 16.80 28.35 5.83 11.08 0.12 6.61 3.49 52 D C T 92.80 5.84 13.49 20.59 105.06 61.62 -85.89 39.21 73.88 9.27 16.85 25.97 21.39 28.58 4.91 10.48 0.11 5.82 2.74 53 S C C 80.38 4.27 13.74 19.29 106.51 65.14 -91.91 30.15 71.30 16.39 12.31 30.19 21.70 21.19 4.17 7.35 0.20 9.07 6.14 54 A C C 51.13 9.15 11.36 21.75 120.29 95.60 -98.16 142.58 88.27 11.31 0.42 49.12 39.59 0.96 0.18 0.25 0.00 6.08 3.83 55 P C C 85.06 4.62 15.72 21.43 115.06 -103.11 -67.80 149.81 90.82 8.63 0.56 81.33 7.47 1.89 0.14 0.45 0.00 6.25 2.46 56 S C C 64.17 9.91 11.93 22.66 114.96 -112.29 -81.88 140.83 84.94 14.21 0.85 55.78 25.15 4.19 0.17 0.84 0.00 10.30 3.57 57 T C C 69.44 7.44 14.93 23.69 128.77 -161.91 -124.29 151.51 63.93 35.45 0.62 34.87 26.80 3.40 0.11 0.64 0.00 31.70 2.48 58 S E E 68.59 5.66 15.65 22.74 119.67 -126.15 -98.44 138.71 44.51 54.92 0.57 35.61 7.75 1.42 0.10 0.54 0.00 52.39 2.19 59 V E E 59.07 10.86 10.21 22.27 120.58 -152.77 -108.61 134.96 18.72 80.97 0.31 16.02 1.75 0.26 0.20 0.13 0.00 48.72 32.92 60 N C C 72.09 3.90 13.83 18.92 124.21 -136.66 -87.39 173.85 90.35 9.49 0.16 88.60 1.81 0.37 0.04 0.10 0.00 7.29 1.79 61 N C T 131.82 2.50 10.62 14.71 90.85 -91.32 -64.79 -19.15 97.99 1.49 0.51 2.28 9.67 85.98 0.03 0.53 0.00 1.36 0.15 62 D C T 118.35 0.90 12.62 12.66 93.79 56.43 -87.62 0.39 99.03 0.47 0.50 1.37 9.34 88.29 0.02 0.54 0.00 0.37 0.07 63 G C S 39.67 6.34 10.95 18.95 97.74 -103.64 87.14 5.72 96.80 2.66 0.54 21.27 72.85 2.90 0.05 0.48 0.00 1.78 0.66 64 D C C 77.64 3.45 13.98 18.91 119.08 137.40 -80.62 148.30 91.19 8.57 0.24 80.49 9.60 0.95 0.08 0.17 0.00 7.20 1.52 65 I E E 85.52 10.21 10.87 22.17 117.50 -130.30 -100.04 131.33 13.82 86.00 0.19 12.22 0.98 0.14 0.15 0.08 0.00 65.96 20.47 66 I E E 79.64 6.38 15.16 23.17 123.88 -169.80 -118.90 141.54 29.60 70.25 0.14 28.00 1.36 0.16 0.06 0.07 0.00 69.17 1.16 67 T E E 82.13 8.17 13.57 23.21 118.06 -141.56 -100.75 132.03 46.88 52.79 0.33 36.71 9.89 0.67 0.11 0.21 0.00 50.88 1.53 68 R C C 98.22 7.73 14.26 23.60 126.56 -173.56 -122.82 143.88 66.98 32.73 0.29 54.32 12.37 0.38 0.14 0.17 0.00 30.51 2.11 69 P C C 69.58 5.07 16.07 22.31 114.00 -104.07 -65.02 148.17 70.26 28.63 1.11 65.40 2.84 0.64 0.67 0.47 0.00 23.31 6.67 70 T C C 61.42 11.61 11.76 23.78 97.32 -115.78 -65.65 -34.99 51.79 4.30 43.90 31.74 10.49 10.43 29.41 13.83 0.05 2.56 1.48 71 S H H 73.92 3.90 14.96 19.77 94.30 65.01 -66.40 -32.73 38.38 1.95 59.67 16.71 7.67 14.59 38.53 20.57 0.11 1.16 0.65 72 D H H 104.31 2.13 16.99 18.93 94.11 51.79 -77.31 -21.47 33.86 1.82 64.32 13.50 7.08 13.95 41.20 22.41 0.14 1.11 0.61 73 S H H 33.62 10.94 12.57 24.59 97.50 55.45 -83.19 -16.52 41.46 2.46 56.08 24.78 7.66 10.86 40.97 13.28 0.07 1.50 0.88 74 I H H 65.58 10.37 13.62 24.88 93.78 78.45 -63.66 -42.05 11.47 1.62 86.91 8.60 2.61 2.25 82.35 2.72 0.03 0.92 0.53 75 A H H 63.66 2.72 17.23 20.02 92.44 52.97 -64.34 -41.18 4.31 1.07 94.62 2.08 0.81 2.06 90.90 3.00 0.06 0.91 0.19 76 A H H 59.85 3.45 17.18 21.11 92.61 50.64 -66.17 -39.42 4.67 1.19 94.14 1.92 0.79 2.55 89.69 3.73 0.10 1.00 0.22 77 V H H 52.57 10.22 13.57 24.83 93.00 49.74 -67.01 -39.38 6.11 0.61 93.27 2.21 0.92 3.50 89.22 3.37 0.14 0.43 0.21 78 A H H 56.89 6.57 14.36 22.19 93.16 55.44 -67.57 -31.54 22.41 0.57 77.02 5.35 2.38 14.76 74.96 1.86 0.07 0.28 0.34 79 N C T 117.07 1.92 15.57 17.40 95.84 53.80 -83.65 -7.00 59.50 0.55 39.95 9.06 5.75 42.60 40.27 1.76 0.02 0.22 0.30 80 A C C 58.75 7.64 9.59 18.66 104.82 97.88 -76.71 60.93 80.18 2.43 17.39 37.48 16.88 25.59 15.09 2.66 0.01 1.01 1.28 81 T C C 104.85 2.55 12.51 16.00 102.86 110.08 -93.70 1.57 85.81 5.40 8.79 43.68 24.09 18.57 5.82 2.72 0.02 2.63 2.46 82 K C C 131.86 3.55 11.58 16.95 117.55 110.12 -100.59 131.44 93.22 4.37 2.41 50.10 41.20 2.56 1.54 0.81 0.00 2.20 1.59 83 P C C 89.60 4.99 11.43 18.22 113.08 -109.30 -67.65 147.92 82.27 4.97 12.76 62.58 9.81 9.82 6.18 6.51 0.00 3.78 1.31 84 A C C 74.57 5.17 10.90 17.82 112.38 -123.29 -81.54 137.90 65.48 14.80 19.73 45.80 10.74 9.54 9.03 10.31 0.04 11.82 2.72 85 A C C 70.74 5.79 11.23 18.59 114.11 -136.52 -89.85 132.44 53.13 25.59 21.27 39.08 8.70 6.25 10.64 10.12 0.09 22.24 2.88 86 V C C 99.51 4.72 11.99 18.52 116.45 -151.65 -100.61 128.48 49.30 32.66 18.05 37.99 6.66 4.84 10.89 7.22 0.11 28.84 3.45 87 V C C 88.73 6.68 10.62 18.99 116.91 -157.76 -102.64 130.54 59.09 30.52 10.39 45.32 7.78 5.33 6.86 3.80 0.08 27.21 3.62 88 S C C 72.44 4.58 11.20 17.55 117.69 -142.42 -95.35 138.26 75.24 19.32 5.44 52.61 16.84 5.83 2.96 2.61 0.03 15.15 3.96 89 D C C 81.75 5.05 10.43 17.33 111.21 -123.01 -88.24 118.36 96.34 2.65 1.01 83.78 11.75 1.03 0.51 0.43 0.00 1.66 0.85 90 P C G 92.44 4.36 9.01 15.43 95.20 -145.96 -64.00 -25.15 61.66 1.54 36.80 26.28 7.19 27.54 4.22 33.37 0.00 0.96 0.44 91 Q C T 143.14 1.27 9.53 11.49 96.94 63.23 -76.78 -16.90 59.23 2.27 38.49 15.93 9.23 34.52 4.78 33.37 0.02 1.39 0.77 92 S C C 80.25 2.56 8.49 12.61 101.64 62.76 -86.37 2.68 58.01 2.49 39.51 37.28 4.83 15.97 4.48 35.18 0.00 1.55 0.70 93 M C C 114.18 5.47 9.27 16.31 104.57 92.09 -84.79 42.13 99.52 0.19 0.29 99.07 0.31 0.31 0.12 0.05 0.00 0.10 0.05