# 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 125.22 3.60 10.41 15.93 117.14 -146.64 -96.52 133.82 99.73 0.25 0.02 99.34 0.40 0.06 0.01 0.00 0.00 0.13 0.05 1 P C C 107.94 2.46 9.07 13.38 112.10 -105.27 -70.68 144.92 97.33 2.18 0.49 93.58 1.11 2.82 0.15 0.19 0.00 0.86 1.28 2 G C C 51.35 2.48 8.39 12.63 120.45 -109.73 -87.98 167.34 97.68 1.88 0.44 79.32 15.04 3.16 0.12 0.35 0.00 0.83 1.19 3 P C C 115.42 1.61 9.64 12.49 110.89 -79.22 -71.64 143.79 97.30 1.95 0.75 68.64 25.14 3.38 0.19 0.57 0.00 0.83 1.26 4 T C C 96.60 2.82 8.21 12.90 116.52 -110.19 -89.35 138.20 97.54 1.74 0.72 77.87 17.78 1.69 0.24 0.46 0.00 0.71 1.27 5 P C C 107.14 2.44 9.08 13.27 105.03 -107.88 -68.37 106.72 83.14 1.77 15.08 46.52 11.17 25.00 2.68 12.82 0.00 0.96 0.85 6 S C C 84.14 2.70 8.66 13.05 109.17 53.12 -87.30 112.97 78.81 3.68 17.50 36.18 14.30 28.68 3.15 14.14 0.01 1.92 1.63 7 G C C 57.48 2.34 9.85 13.64 105.93 -124.64 -87.97 14.51 74.08 6.10 19.83 38.11 19.71 17.06 3.66 15.66 0.02 3.28 2.51 8 T C C 94.89 3.20 9.32 14.37 116.94 109.85 -99.56 137.09 76.10 10.65 13.25 44.16 20.27 12.34 4.03 8.96 0.03 6.38 3.83 9 N C C 120.35 2.52 9.40 13.83 113.51 -143.23 -96.36 123.84 77.77 14.69 7.54 51.06 17.04 9.35 2.82 4.85 0.02 9.06 5.79 10 V C C 108.21 3.42 8.52 13.75 110.45 -173.57 -100.90 103.62 80.97 13.71 5.32 47.87 19.31 14.01 1.92 3.42 0.02 8.21 5.24 11 G C C 51.46 2.62 10.02 14.17 119.86 -96.80 95.52 176.26 86.78 8.79 4.43 48.77 22.15 16.34 1.17 3.26 0.01 5.17 3.14 12 S C C 94.39 1.52 9.80 12.50 108.12 -80.02 -84.46 113.76 87.27 6.64 6.09 49.84 21.13 16.46 1.43 4.76 0.00 3.59 2.79 13 S C C 90.85 1.82 8.70 11.97 110.32 94.04 -92.08 114.11 88.27 5.41 6.32 39.00 24.22 25.69 1.29 4.88 0.00 2.74 2.18 14 G C C 56.75 2.02 9.68 13.14 114.74 -70.46 105.69 165.92 90.21 5.02 4.78 40.62 30.88 19.08 0.98 3.79 0.00 2.63 2.02 15 R C C 169.44 2.28 9.21 13.25 115.36 -84.76 -94.25 137.38 90.22 6.75 3.04 55.45 30.77 3.95 1.32 1.63 0.00 2.80 4.08 16 S C C 69.95 3.59 8.51 14.00 115.97 -118.55 -84.72 141.90 94.80 2.31 2.89 81.85 11.10 1.68 2.19 0.75 0.00 1.02 1.41 17 P C C 105.55 2.48 9.35 13.51 97.69 -116.31 -65.62 -25.08 58.92 1.65 39.42 33.47 8.83 17.66 26.03 12.24 0.02 0.87 0.89 18 S C H 85.55 1.83 9.61 12.49 103.09 64.50 -82.07 8.77 49.06 1.98 48.96 23.02 9.91 17.61 32.47 14.92 0.09 1.02 0.96 19 K H H 145.11 2.24 10.08 13.65 103.13 63.02 -80.15 1.71 39.46 2.33 58.21 22.18 8.78 10.02 41.62 15.19 0.06 1.32 0.83 20 A H H 69.16 3.73 9.09 14.56 105.14 65.29 -80.37 49.77 38.14 3.13 58.73 24.85 7.66 7.54 47.04 9.97 0.05 1.93 0.96 21 V H H 106.17 2.51 9.86 13.72 104.06 53.64 -83.43 -0.94 34.90 5.31 59.80 23.06 7.31 7.18 49.61 7.78 0.09 3.43 1.54 22 A H H 79.34 2.39 9.74 13.55 106.34 57.14 -82.80 96.02 39.19 4.81 56.00 26.36 7.42 7.56 46.74 7.33 0.07 3.15 1.37 23 A H H 82.10 2.24 9.54 13.17 107.40 53.58 -79.21 113.34 45.95 5.11 48.93 30.29 7.98 9.33 40.46 6.98 0.07 3.25 1.63 24 R C C 169.37 2.16 8.69 12.47 109.96 -131.40 -88.34 119.65 53.29 6.06 40.65 33.61 10.36 10.74 33.19 6.22 0.08 3.53 2.27 25 A C C 82.49 2.30 8.12 12.06 111.78 -136.05 -89.12 131.36 64.49 4.84 30.68 40.84 11.22 12.49 24.93 5.79 0.03 2.64 2.06 26 A C C 95.08 1.14 8.28 10.55 111.30 -124.86 -86.12 130.47 73.70 3.29 23.01 34.96 14.56 24.86 15.83 6.61 0.03 1.69 1.47 27 G C C 63.19 0.98 8.63 10.26 110.13 16.54 -68.69 40.43 80.56 2.91 16.52 35.81 18.98 26.72 8.85 6.88 0.02 1.50 1.25 28 S C C 89.43 1.79 7.27 10.77 115.85 90.61 -98.28 136.26 79.31 5.72 14.98 47.89 19.54 11.99 8.60 6.49 0.02 3.41 2.06 29 T C C 112.76 1.23 7.70 10.32 116.05 -156.11 -104.65 133.13 73.27 12.20 14.54 48.42 16.75 7.88 9.84 5.28 0.06 8.27 3.52 30 V C C 120.40 1.79 6.64 10.38 116.58 -146.94 -98.92 132.61 66.42 17.57 16.01 48.83 11.29 5.44 11.86 5.00 0.06 13.19 4.34 31 R C C 178.39 1.45 7.33 10.53 116.96 -153.35 -100.82 135.00 65.12 19.47 15.41 49.60 9.35 5.14 11.54 4.70 0.05 15.18 4.45 32 Q C C 143.69 1.42 7.62 10.70 117.08 -136.62 -94.79 135.59 66.81 18.26 14.93 50.70 9.97 5.21 11.12 4.55 0.04 13.91 4.49 33 R C C 173.68 2.19 6.85 11.08 114.97 -121.51 -84.50 137.10 72.89 14.40 12.71 57.83 8.97 4.92 9.78 3.63 0.02 10.05 4.80 34 K C C 157.52 1.62 7.72 11.07 115.69 -131.98 -88.08 139.95 79.22 9.16 11.63 60.23 11.43 6.55 9.02 3.28 0.01 5.79 3.68 35 N C C 135.14 1.05 8.50 10.59 111.39 -121.15 -88.91 120.44 82.23 6.08 11.70 56.40 15.66 9.74 7.90 4.11 0.01 3.43 2.75 36 A C C 85.40 2.60 6.82 11.29 111.25 -155.10 -90.54 132.39 80.56 4.27 15.16 47.73 18.52 14.52 8.10 6.91 0.01 2.36 1.86 37 S C C 94.19 1.17 8.65 10.84 111.62 -131.69 -93.23 128.66 81.32 4.56 14.12 48.92 16.77 15.77 6.37 7.60 0.01 2.54 2.02 38 C C C 105.33 1.94 7.68 11.28 114.16 -151.18 -98.79 128.40 81.45 5.31 13.25 49.57 17.12 14.93 5.94 7.11 0.01 3.00 2.31 39 G C C 54.26 2.48 8.47 12.68 119.22 -162.64 -105.80 158.93 82.45 6.72 10.84 49.08 20.96 12.73 4.91 5.81 0.01 3.89 2.61 40 T C C 112.05 1.56 9.33 12.19 116.01 -122.64 -97.57 135.01 77.95 10.28 11.77 50.61 17.93 9.18 6.42 5.61 0.02 6.27 3.96 41 R C C 170.19 2.58 8.06 12.65 114.92 -142.21 -95.71 136.28 74.56 12.19 13.24 48.31 16.63 9.32 7.58 5.95 0.03 7.56 4.62 42 S C C 82.92 2.62 8.26 12.70 117.01 -152.95 -99.88 139.67 76.83 10.11 13.06 51.64 15.13 9.57 6.91 6.42 0.02 6.17 4.14 43 A C C 91.49 1.78 8.35 11.75 109.68 -137.49 -84.79 126.56 78.29 7.08 14.63 41.51 16.91 20.73 5.79 8.28 0.02 4.28 2.48 44 G C C 59.95 1.63 8.85 11.74 109.81 3.75 -91.40 112.95 82.16 6.43 11.41 38.98 21.82 22.40 3.47 7.42 0.02 3.74 2.16 45 R C C 174.85 1.96 8.09 11.64 113.25 -127.38 -95.26 126.43 81.21 9.85 8.94 51.47 19.53 10.16 3.19 5.76 0.01 5.77 4.11 46 T C C 108.54 1.89 8.10 11.71 115.99 -150.86 -98.00 134.94 83.23 11.36 5.40 58.45 16.84 7.33 2.22 3.30 0.00 6.82 5.03 47 T C C 107.86 2.02 7.68 11.50 116.21 -148.75 -99.00 137.40 85.74 9.68 4.58 57.01 19.99 8.44 1.68 3.01 0.00 5.75 4.11 48 S C C 90.39 1.67 8.07 11.24 113.54 -124.78 -88.44 139.34 85.81 7.54 6.65 50.58 19.66 15.65 1.69 5.05 0.01 4.33 3.02 49 A C C 94.68 1.33 7.85 10.57 113.14 -128.44 -91.76 129.89 84.39 7.13 8.47 42.46 21.03 21.45 1.84 6.56 0.01 3.99 2.67 50 G C C 57.97 1.84 7.74 11.26 117.09 -148.37 -121.21 157.77 83.00 8.13 8.87 41.80 22.11 19.64 1.87 6.98 0.01 4.54 3.04 51 T C C 115.40 1.29 7.59 10.26 114.22 -142.14 -101.07 129.97 79.19 10.41 10.40 42.97 19.37 17.22 2.75 7.67 0.03 5.88 4.12 52 G C C 60.22 1.42 8.17 10.88 115.71 -165.16 -115.79 148.94 78.04 8.89 13.07 32.84 21.90 24.75 3.55 8.84 0.04 5.19 2.89 53 G C C 59.56 1.53 8.59 11.39 113.98 -88.14 -119.93 157.71 73.98 11.61 14.41 32.66 22.19 20.80 4.53 9.22 0.06 7.68 2.87 54 M C C 144.20 1.74 7.63 10.99 117.46 -101.19 -100.41 134.49 57.19 26.17 16.65 32.99 15.41 10.40 7.44 9.14 0.29 19.04 5.28 55 W C C 184.97 2.57 8.19 12.77 117.95 -152.90 -102.79 131.98 45.82 36.02 18.16 30.03 9.31 7.31 10.08 8.83 0.29 27.77 6.38 56 R C C 159.51 3.03 9.43 14.47 118.47 -158.55 -106.53 132.02 49.59 32.20 18.21 34.38 9.02 7.09 9.98 8.50 0.12 27.09 3.82 57 F C C 143.95 3.70 9.39 14.87 114.86 -157.70 -97.52 132.73 53.08 28.48 18.44 30.89 12.44 11.02 9.80 8.77 0.31 22.21 4.57 58 Y C C 144.77 4.47 9.62 15.79 120.22 -147.76 -110.70 139.23 62.96 24.44 12.60 39.80 13.82 9.29 7.08 5.99 0.18 18.19 5.65 59 T C C 86.91 3.96 10.02 15.68 115.35 -161.50 -107.80 140.91 73.51 16.40 10.09 48.37 15.64 9.74 4.84 5.34 0.07 11.51 4.49 60 E C T 138.49 3.15 10.03 14.77 103.31 -130.92 -80.88 16.48 85.19 7.03 7.78 29.24 26.88 30.53 2.56 4.48 0.04 4.38 1.88 61 D C C 118.10 1.68 10.44 13.15 104.40 45.14 -92.31 36.94 89.33 5.27 5.40 36.54 26.28 27.47 1.33 3.72 0.01 3.01 1.63 62 S C C 57.57 6.34 7.72 15.77 116.95 116.02 -101.99 129.87 93.40 4.61 1.99 65.33 25.27 2.92 0.82 1.13 0.00 2.21 2.32 63 P C C 106.92 2.00 10.87 14.01 101.83 -128.94 -70.65 13.09 81.14 3.28 15.58 34.67 13.89 33.64 4.65 10.01 0.01 1.79 1.35 64 G C T 50.43 3.44 11.00 15.92 108.92 24.87 81.78 -37.91 69.99 6.64 23.37 26.05 14.48 31.37 7.18 14.66 0.07 3.93 2.25 65 L C C 101.28 5.88 9.55 16.92 111.90 40.31 -88.46 122.43 57.19 15.21 27.60 36.12 10.99 11.37 9.88 17.25 0.07 11.05 3.27 66 K C C 148.65 2.55 13.08 17.11 108.52 -149.66 -93.51 110.29 52.19 25.46 22.35 32.44 10.25 10.56 10.79 11.47 0.24 18.72 5.54 67 V C C 78.97 7.73 10.37 19.47 116.45 132.43 -109.47 132.37 63.66 24.81 11.53 40.27 17.26 6.26 7.93 4.04 0.22 15.16 8.87 68 G C C 33.40 4.48 14.96 20.52 122.50 -121.62 -85.35 165.56 91.03 5.50 3.47 69.31 18.39 3.14 3.09 0.83 0.00 3.83 1.40 69 P H H 81.45 6.75 12.26 20.23 93.77 -96.37 -63.50 -31.66 44.44 1.64 53.92 20.25 15.65 8.69 52.61 1.44 0.07 0.69 0.60 70 V H H 93.54 2.55 14.94 17.95 93.20 58.61 -64.82 -40.69 8.06 0.19 91.74 3.07 1.91 3.46 90.57 0.83 0.02 0.09 0.06 71 P H H 64.97 4.05 15.16 20.38 92.87 51.09 -65.44 -39.75 3.93 0.24 95.83 2.24 0.47 1.42 94.81 0.87 0.01 0.15 0.04 72 V H H 57.08 8.10 13.79 23.04 92.20 50.90 -65.34 -41.63 0.97 0.09 98.94 0.46 0.12 0.41 98.51 0.43 0.00 0.06 0.01 73 L H H 84.56 4.76 15.76 21.48 91.88 50.41 -64.87 -41.15 0.59 0.06 99.35 0.25 0.06 0.27 99.14 0.24 0.00 0.04 0.00 74 V H H 84.57 2.26 17.47 19.26 92.17 49.35 -64.72 -42.05 0.46 0.03 99.51 0.16 0.04 0.22 99.42 0.13 0.00 0.01 0.00 75 M H H 88.23 4.40 16.68 21.76 92.07 49.49 -65.01 -41.32 0.39 0.01 99.60 0.12 0.03 0.19 99.57 0.08 0.00 0.00 0.00 76 S H H 40.01 8.08 14.58 23.88 91.97 51.16 -63.97 -41.44 0.43 0.01 99.56 0.11 0.03 0.23 99.57 0.06 0.00 0.00 0.00 77 L H H 94.40 2.90 17.19 20.17 91.70 50.41 -64.52 -40.86 0.12 0.00 99.88 0.01 0.01 0.07 99.88 0.03 0.00 0.00 0.00 78 L H H 95.69 2.10 17.48 19.02 92.05 49.97 -64.56 -41.78 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 79 F H H 97.16 5.42 16.12 22.08 92.17 49.79 -64.68 -41.79 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 80 I H H 79.80 5.57 15.97 22.12 91.91 49.49 -63.79 -42.01 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 81 A H H 59.39 2.14 17.29 18.96 91.58 50.26 -63.49 -41.85 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 82 S H H 56.22 2.97 16.63 19.89 92.03 50.04 -64.69 -41.55 0.14 0.00 99.86 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 83 V H H 62.70 6.26 15.07 22.16 91.93 50.14 -64.55 -42.16 0.19 0.00 99.81 0.01 0.01 0.15 99.78 0.05 0.00 0.00 0.00 84 F H H 109.55 3.37 16.14 19.91 91.71 50.10 -64.32 -41.96 0.42 0.01 99.58 0.02 0.02 0.34 99.48 0.12 0.00 0.00 0.00 85 M H H 104.94 1.84 16.30 17.56 91.88 50.05 -64.29 -41.47 0.96 0.02 99.03 0.09 0.06 0.75 98.67 0.41 0.00 0.01 0.00 86 L H H 85.09 3.44 14.78 18.89 92.11 50.03 -65.22 -40.96 1.85 0.03 98.12 0.18 0.13 1.47 97.05 1.13 0.00 0.02 0.00 87 H H H 98.77 4.66 13.60 19.07 92.40 49.59 -65.50 -40.26 5.47 0.04 94.49 0.36 0.34 4.75 92.81 1.68 0.02 0.03 0.01 88 I H H 102.86 1.80 14.51 16.02 93.39 47.14 -66.86 -40.52 11.61 0.12 88.27 0.84 0.95 9.92 86.38 1.73 0.06 0.07 0.05 89 W H H 154.69 1.67 13.68 15.15 93.36 46.58 -69.27 -36.02 21.77 0.79 77.44 4.57 4.17 14.46 72.94 2.83 0.26 0.38 0.38 90 G H H 34.30 4.34 10.61 16.81 93.10 55.89 -65.34 -38.79 32.86 1.39 65.74 11.31 5.33 17.25 54.17 10.37 0.18 0.86 0.54 91 K H H 131.59 2.22 11.53 14.63 93.82 53.75 -68.46 -34.32 32.79 1.53 65.68 10.08 5.88 17.50 52.68 12.11 0.21 0.98 0.55 92 Y H H 164.15 1.49 10.73 12.64 96.57 51.44 -78.29 -25.69 34.28 2.79 62.93 13.23 7.23 15.81 51.05 9.73 0.24 1.79 0.92 93 T H H 96.56 2.25 8.57 12.16 101.78 54.50 -88.79 -4.45 45.72 6.41 47.86 23.73 9.15 15.69 39.82 5.40 0.23 3.80 2.19 94 R C C 170.87 1.88 7.58 11.02 105.60 73.68 -86.01 39.55 72.27 4.25 23.47 55.16 2.54 13.80 21.73 2.57 0.01 2.43 1.76 95 S C C 83.24 2.58 10.46 14.60 110.66 -152.92 -87.37 122.71 99.60 0.24 0.15 99.16 0.27 0.26 0.10 0.02 0.00 0.16 0.04