# 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 S C C 63.57 6.13 13.32 20.80 122.20 -171.34 -110.47 155.94 98.25 1.46 0.29 98.22 0.26 0.21 0.13 0.04 0.00 0.92 0.22 1 T C C 93.62 4.24 11.62 17.37 107.07 -135.06 -90.77 30.83 62.52 14.19 23.30 46.89 4.93 10.13 13.57 9.63 0.03 10.84 3.99 2 L C C 100.52 6.16 9.52 17.14 106.33 97.87 -85.63 61.19 51.22 15.00 33.78 25.55 13.19 15.11 13.17 18.83 0.25 11.19 2.71 3 E C C 130.42 3.46 12.41 17.32 108.90 74.26 -86.59 102.24 54.04 13.16 32.81 25.13 13.87 17.29 11.62 19.46 0.13 10.61 1.89 4 R C C 140.28 5.74 12.81 19.67 108.82 -135.87 -92.51 97.19 53.21 17.03 29.75 27.22 12.07 15.98 10.80 17.45 0.11 14.34 2.03 5 V C C 66.55 10.73 11.68 23.28 116.66 -157.05 -99.17 127.09 53.98 34.26 11.76 38.81 10.55 4.73 7.70 4.67 0.07 29.09 4.39 6 V C C 77.34 8.19 15.08 24.37 113.46 -156.56 -97.74 126.32 53.49 40.76 5.75 40.54 9.25 3.44 4.10 2.24 0.03 35.50 4.89 7 Y C C 105.48 10.60 14.57 25.87 119.02 -157.19 -105.87 132.24 59.63 37.14 3.23 44.05 12.80 2.72 2.27 1.40 0.03 29.71 7.03 8 R C C 118.11 8.89 15.88 25.72 117.74 -156.44 -109.25 120.97 85.82 12.88 1.30 73.02 11.49 1.07 0.92 0.44 0.00 11.69 1.37 9 P C C 57.50 12.41 13.27 26.18 110.30 -126.58 -67.97 147.49 85.33 6.89 7.79 67.20 10.45 7.62 3.81 3.84 0.00 5.74 1.34 10 D C C 91.89 5.44 17.78 23.99 105.06 -124.50 -89.26 95.90 78.64 10.46 10.90 60.16 9.36 8.13 5.92 5.28 0.01 6.40 4.75 11 I C C 61.88 14.81 11.38 25.70 106.55 167.72 -90.80 59.01 65.97 9.49 24.54 36.26 13.60 17.27 9.93 13.76 0.10 5.57 3.51 12 N C C 99.48 5.99 15.95 22.95 102.56 106.37 -91.43 5.87 69.68 8.37 21.95 32.12 15.81 23.63 8.11 12.46 0.09 4.99 2.79 13 Q C T 106.71 6.12 16.01 23.21 112.15 70.75 -103.92 112.81 73.44 6.91 19.65 27.38 20.13 27.79 6.61 11.53 0.07 3.71 2.79 14 G C C 34.11 9.02 15.93 25.60 119.17 -65.02 93.30 -172.32 87.57 6.06 6.37 34.41 26.69 27.41 1.69 4.42 0.00 3.53 1.84 15 N C C 76.57 11.89 18.10 29.73 107.99 -65.15 -94.95 67.65 79.55 14.95 5.50 42.76 24.43 13.41 1.75 3.81 0.02 9.89 3.92 16 Y C C 82.86 14.42 19.77 33.50 112.45 162.40 -96.81 124.64 70.34 25.84 3.81 44.04 21.19 4.70 2.07 1.93 0.03 15.82 10.23 17 L C C 14.94 23.04 14.41 37.10 116.38 -121.82 -92.52 132.33 77.67 20.49 1.84 66.23 9.99 1.03 1.43 0.58 0.00 12.19 8.55 18 T C C 54.83 6.00 23.42 29.49 124.49 -145.47 -91.80 161.01 95.98 2.47 1.54 94.21 1.89 0.37 1.38 0.16 0.00 1.24 0.76 19 A H H 52.37 12.75 14.28 27.40 91.58 -108.75 -58.05 -37.87 6.59 0.07 93.34 1.44 1.03 4.20 87.24 5.99 0.03 0.04 0.03 20 N H H 114.73 1.52 20.39 20.80 91.74 54.38 -64.97 -35.68 5.07 0.05 94.88 0.73 0.53 3.67 87.40 7.59 0.02 0.03 0.02 21 D H H 37.00 14.03 17.11 31.32 93.14 49.70 -68.80 -35.96 3.75 0.06 96.19 0.78 0.42 2.41 87.65 8.67 0.01 0.04 0.01 22 V H H 7.61 24.75 13.31 37.74 92.34 54.45 -64.62 -38.06 5.15 0.10 94.76 0.98 0.60 3.47 86.30 8.54 0.02 0.06 0.03 23 S H H 66.80 6.06 20.47 27.48 90.41 62.40 -67.95 -21.06 44.85 0.21 54.94 1.62 1.80 41.24 48.58 6.42 0.08 0.11 0.14 24 K C T 119.12 4.98 21.89 27.43 93.46 59.83 -87.23 -8.00 72.01 0.21 27.78 3.23 3.00 65.57 22.77 5.18 0.01 0.11 0.14 25 I C C 7.43 26.03 9.63 35.36 114.77 105.39 -76.55 133.53 95.02 4.44 0.54 81.69 12.41 0.43 0.41 0.14 0.00 1.29 3.62 26 R C C 131.52 3.80 23.75 28.18 127.68 -170.55 -124.72 147.04 84.12 15.72 0.17 84.48 0.76 0.11 0.09 0.03 0.00 4.55 9.98 27 V C T 86.66 11.35 15.49 27.22 110.86 -94.61 -62.35 135.27 95.78 3.90 0.32 1.43 3.31 92.21 0.05 0.16 0.00 2.26 0.58 28 G C T 47.98 3.44 20.06 24.18 95.49 25.58 89.36 -6.11 99.44 0.49 0.07 1.08 3.40 95.01 0.01 0.04 0.00 0.44 0.02 29 M C C 31.81 16.43 12.93 30.10 117.89 133.85 -73.21 143.72 99.04 0.94 0.02 87.85 11.28 0.06 0.01 0.01 0.00 0.48 0.31 30 T E B 57.07 4.97 23.43 28.26 121.41 -122.17 -79.87 160.50 37.68 62.14 0.17 33.00 0.31 0.01 0.15 0.00 0.00 3.33 63.20 31 Q H H 51.43 19.30 14.44 33.05 91.41 -111.10 -57.84 -39.44 0.76 0.00 99.24 0.15 0.08 0.42 99.18 0.17 0.00 0.00 0.00 32 Q H H 114.96 3.67 21.35 25.68 91.37 53.53 -63.05 -40.81 0.25 0.00 99.75 0.03 0.02 0.15 99.68 0.12 0.00 0.00 0.00 33 Q H H 78.78 6.44 22.16 28.96 91.96 48.27 -65.72 -41.07 0.11 0.00 99.89 0.01 0.01 0.06 99.79 0.13 0.00 0.00 0.00 34 V H H 2.52 25.37 15.73 41.69 91.62 49.73 -63.99 -43.62 0.10 0.00 99.90 0.01 0.01 0.06 99.88 0.04 0.00 0.00 0.00 35 A H H 20.24 17.62 18.26 35.56 91.31 51.28 -62.42 -41.09 0.13 0.00 99.87 0.01 0.01 0.09 99.85 0.03 0.00 0.00 0.00 36 Y H H 154.21 2.44 23.54 25.59 91.94 50.50 -65.20 -38.36 0.30 0.00 99.70 0.01 0.01 0.26 99.65 0.06 0.00 0.00 0.00 37 A H H 34.28 14.05 20.07 33.72 94.68 46.87 -72.54 -37.73 1.37 0.00 98.63 0.03 0.04 1.34 98.50 0.09 0.00 0.00 0.00 38 L H H 9.60 22.92 15.90 38.93 97.41 33.14 -93.43 -18.39 7.41 0.04 92.55 0.32 0.80 6.22 92.45 0.15 0.02 0.01 0.02 39 G C S 23.85 5.87 21.99 29.07 126.54 -124.09 94.05 -169.48 98.48 1.28 0.24 44.94 47.06 6.68 0.13 0.11 0.00 0.59 0.49 40 T C S 90.64 4.48 21.50 26.76 115.56 -28.23 -80.75 135.60 96.11 3.86 0.04 46.89 49.72 0.31 0.01 0.03 0.00 2.31 0.73 41 P C C 32.84 20.50 11.53 31.19 115.66 -113.36 -66.06 145.96 90.50 9.38 0.13 89.34 1.49 0.24 0.02 0.09 0.00 7.26 1.55 42 L C S 93.32 6.37 19.50 26.77 95.86 -143.82 -79.45 -26.62 82.76 17.18 0.06 18.05 63.61 1.27 0.01 0.06 0.00 16.37 0.62 43 M E E 81.99 7.31 19.23 27.61 136.70 8.70 -148.09 150.18 14.24 85.66 0.10 9.14 5.03 0.57 0.03 0.09 0.00 79.65 5.50 44 S E E 56.74 12.56 14.15 27.13 129.77 -165.78 -129.98 145.53 26.43 73.44 0.14 22.79 3.07 0.37 0.05 0.11 0.00 69.96 3.65 45 D C C 54.02 10.33 13.10 24.75 112.63 -150.40 -107.48 114.59 82.52 17.32 0.16 77.15 3.91 0.55 0.03 0.13 0.00 16.92 1.30 46 P C T 92.81 5.23 13.42 20.47 94.04 -152.20 -66.96 -19.02 94.83 2.06 3.11 9.69 24.55 60.04 0.16 3.56 0.00 1.61 0.38 47 F C T 137.16 4.12 13.36 18.56 97.44 52.50 -88.94 1.50 94.14 2.05 3.81 6.50 23.60 63.65 0.22 4.07 0.00 1.40 0.55 48 G C S 44.84 4.87 14.85 20.83 103.56 -91.79 88.61 6.79 85.65 10.32 4.03 30.16 39.85 15.81 0.43 4.11 0.00 7.07 2.56 49 T C C 60.73 8.41 14.90 24.45 113.64 123.01 -95.26 135.43 86.89 11.36 1.75 34.79 30.27 22.61 0.19 1.80 0.00 9.02 1.32 50 N C C 70.63 11.03 17.36 28.83 100.86 -124.62 -81.55 35.45 74.31 24.65 1.04 31.22 25.42 17.93 0.09 1.12 0.00 23.35 0.86 51 T E E 26.88 13.28 18.98 33.56 125.97 120.62 -113.30 143.92 29.85 70.05 0.09 24.78 4.25 0.38 0.02 0.08 0.00 69.88 0.62 52 W E E 22.92 19.44 19.47 39.04 123.96 -156.23 -113.42 139.68 1.88 98.11 0.00 1.71 0.09 0.01 0.00 0.00 0.00 98.08 0.11 53 F E E 30.60 15.14 23.73 39.35 123.20 -160.29 -114.45 136.87 0.42 99.57 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.60 0.01 54 Y E E 14.40 21.65 20.49 42.04 123.04 -162.93 -113.89 134.70 0.59 99.40 0.00 0.53 0.03 0.00 0.00 0.00 0.00 99.43 0.01 55 V E E 21.99 14.32 23.84 39.06 119.99 -155.17 -112.88 130.11 1.13 98.87 0.01 1.01 0.05 0.01 0.00 0.00 0.00 98.91 0.03 56 F E E 21.91 19.64 19.12 38.78 125.51 -170.94 -117.78 143.12 2.34 97.64 0.02 2.02 0.16 0.02 0.01 0.00 0.00 97.69 0.09 57 R E E 73.79 11.83 21.12 33.28 123.46 -160.67 -116.53 137.13 6.28 93.66 0.06 5.54 0.56 0.09 0.02 0.02 0.00 93.39 0.37 58 Q E E 59.66 13.15 15.70 29.38 119.66 -156.83 -105.30 135.72 32.61 67.18 0.21 25.72 6.29 0.80 0.05 0.16 0.00 65.98 0.99 59 Q C C 89.49 7.05 14.56 23.01 115.12 -143.51 -103.12 121.86 79.70 19.96 0.33 65.57 11.24 1.59 0.06 0.30 0.00 20.23 1.00 60 P C T 87.38 5.67 11.60 18.85 110.37 -113.58 -66.34 141.16 90.26 5.86 3.89 25.10 19.10 46.13 0.40 3.73 0.00 4.70 0.83 61 G C T 59.43 1.40 12.32 14.10 106.73 21.08 86.51 -7.34 91.76 2.90 5.33 18.88 24.73 48.03 0.58 5.06 0.00 1.91 0.81 62 H C S 124.90 4.53 8.67 14.81 112.10 89.83 -94.72 115.33 85.30 4.30 10.41 25.62 34.61 25.41 1.31 9.05 0.01 2.26 1.75 63 E C T 155.73 1.31 11.63 13.50 105.38 -122.54 -85.27 75.25 88.34 3.18 8.48 16.52 31.77 40.45 0.99 7.31 0.00 2.02 0.94 64 G C T 43.82 3.46 14.20 18.51 120.60 7.31 109.42 -1.01 82.44 11.97 5.58 28.64 25.74 29.31 0.65 4.87 0.01 9.37 1.41 65 V C C 64.61 11.75 10.71 22.98 117.78 -77.80 -95.95 134.58 64.20 34.86 0.95 56.21 5.05 1.37 0.21 0.74 0.00 34.81 1.61 66 T E E 54.94 8.42 16.92 26.68 123.17 -165.56 -115.87 140.94 30.44 69.14 0.42 25.74 3.59 0.86 0.11 0.31 0.00 68.41 0.99 67 Q E E 83.69 12.34 16.53 29.06 123.43 -145.12 -113.68 137.61 12.83 86.91 0.26 10.05 1.98 0.57 0.06 0.17 0.00 86.94 0.24 68 Q E E 41.93 14.25 17.73 32.69 129.48 -174.70 -129.34 144.65 3.89 95.97 0.13 3.26 0.48 0.18 0.04 0.08 0.00 95.88 0.08 69 T E E 41.46 11.99 21.05 33.85 122.49 -145.92 -111.85 134.93 1.43 98.52 0.05 1.31 0.11 0.03 0.01 0.02 0.00 98.48 0.03 70 L E E 9.83 21.69 18.10 40.05 125.02 -167.94 -120.02 138.59 0.53 99.46 0.01 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.01 71 T E E 31.38 10.69 25.74 37.54 118.56 -150.60 -106.81 129.23 0.27 99.72 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 72 L E E 3.68 25.43 17.94 44.32 119.63 -162.91 -110.28 129.44 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 73 T E E 35.75 9.32 26.40 36.83 120.36 -162.33 -111.96 131.51 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 74 F E E 17.62 21.96 14.07 36.14 123.06 -162.14 -111.62 139.52 0.76 99.24 0.00 0.70 0.04 0.00 0.00 0.00 0.00 98.98 0.28 75 N C C 58.95 5.88 18.34 25.19 125.07 -132.30 -82.88 176.67 92.87 7.09 0.04 92.88 0.44 0.08 0.01 0.02 0.00 6.20 0.37 76 S C T 95.17 2.29 14.18 17.95 90.25 -91.06 -64.95 -21.18 98.14 0.50 1.36 0.44 3.30 94.60 0.04 1.22 0.00 0.33 0.07 77 S C T 83.42 1.61 17.43 18.25 91.96 57.17 -86.44 -1.01 98.51 0.08 1.41 0.24 2.80 95.61 0.04 1.25 0.00 0.04 0.02 78 G C S 16.15 15.36 13.97 29.83 96.55 -105.64 85.88 8.20 98.58 0.46 0.97 17.47 77.00 4.16 0.07 0.88 0.00 0.27 0.16 79 V C C 50.63 8.04 21.61 30.99 116.92 140.49 -86.09 136.41 61.54 38.32 0.14 59.35 3.14 0.12 0.09 0.05 0.00 16.52 20.74 80 L E E 18.97 22.42 13.49 36.33 109.13 -115.53 -73.25 125.50 0.65 99.35 0.00 0.62 0.02 0.00 0.00 0.00 0.00 98.97 0.39 81 T E E 64.66 6.89 22.06 29.59 101.94 174.11 -102.10 -28.71 0.97 99.02 0.00 0.66 0.15 0.01 0.00 0.00 0.00 99.17 0.00 82 N E E 69.52 6.46 24.01 31.25 138.77 1.87 -156.03 148.11 0.44 99.55 0.00 0.30 0.04 0.00 0.00 0.00 0.00 99.65 0.00 83 I E E 40.00 22.03 13.13 34.11 124.66 -167.09 -130.58 130.91 0.64 99.35 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.42 0.01 84 D E E 65.70 6.62 22.74 29.78 123.35 -172.86 -122.67 135.55 3.19 96.80 0.01 2.53 0.40 0.03 0.00 0.00 0.00 96.98 0.06 85 N E E 70.72 15.59 15.06 29.69 118.67 -161.98 -110.30 125.95 20.14 79.78 0.08 15.99 3.82 0.25 0.02 0.06 0.00 79.45 0.41 86 K C C 97.44 8.17 18.15 27.27 121.81 -174.94 -117.02 133.75 68.35 31.14 0.51 59.09 7.26 0.68 0.13 0.37 0.00 31.57 0.90 87 P C C 68.19 8.89 16.33 26.09 114.99 -108.56 -66.61 151.03 75.17 18.36 6.47 58.66 9.78 6.42 1.43 5.04 0.00 16.87 1.80 88 A C C 57.64 9.75 15.29 25.55 110.16 -108.33 -74.95 136.07 78.41 12.89 8.70 58.17 11.93 8.35 2.34 6.58 0.01 9.49 3.12 89 L C C 73.30 12.17 11.46 23.81 109.06 -131.11 -88.59 111.36 74.82 16.72 8.46 53.09 13.18 7.87 2.87 5.81 0.03 10.78 6.39 90 S C C 78.45 3.72 13.66 18.69 108.01 -155.40 -93.65 63.14 83.61 9.91 6.47 51.09 19.62 13.12 1.92 4.59 0.01 6.40 3.25 91 G C C 51.15 4.04 12.14 17.76 108.54 12.47 84.85 41.62 89.31 4.01 6.68 38.32 29.15 22.18 1.18 5.50 0.00 2.22 1.46 92 N C C 116.33 3.34 11.44 16.34 104.54 88.05 -89.15 30.39 89.16 2.50 8.34 33.57 25.22 30.49 1.16 7.25 0.00 1.28 1.03 93 G C C 50.55 4.28 11.11 17.07 107.19 -74.78 77.64 21.06 90.12 2.99 6.89 38.14 22.24 29.70 0.86 6.37 0.00 1.59 1.10 94 G C C 48.29 4.98 10.92 17.58 111.39 -101.75 79.58 141.63 92.89 3.20 3.92 74.35 5.37 13.18 0.65 3.23 0.00 2.08 1.15 95 H C C 131.27 4.87 12.44 18.94 108.37 -114.67 -91.65 98.31 99.44 0.52 0.05 99.18 0.29 0.12 0.01 0.01 0.00 0.29 0.08