# 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 67.02 5.42 13.43 20.21 120.26 -154.15 -104.12 154.03 98.97 0.84 0.19 98.91 0.20 0.17 0.08 0.03 0.00 0.48 0.13 1 T C C 92.73 4.37 11.28 17.19 108.63 -133.70 -91.63 75.32 65.38 13.59 21.03 51.45 4.44 9.06 11.34 9.32 0.01 9.63 4.74 2 L C C 100.51 6.29 9.27 16.99 106.44 82.27 -85.82 64.43 50.61 13.33 36.06 26.44 12.56 14.57 11.67 22.27 0.14 9.70 2.63 3 E C C 131.48 3.32 12.14 16.90 108.04 82.21 -86.79 93.45 53.30 11.28 35.42 24.66 12.89 18.12 10.49 23.11 0.09 8.86 1.78 4 R C C 143.32 5.29 12.55 19.01 109.25 -139.03 -90.58 104.46 53.72 13.92 32.36 27.16 12.20 16.58 10.14 20.62 0.09 11.30 1.90 5 V C C 68.59 10.34 11.24 22.49 115.75 83.39 -97.50 125.64 57.44 30.17 12.38 40.33 11.80 5.15 8.00 5.08 0.07 24.11 5.46 6 V C C 80.19 7.61 14.46 23.30 114.17 -154.50 -97.74 125.89 59.93 33.39 6.68 45.22 9.97 4.01 4.86 2.41 0.03 28.68 4.82 7 Y C C 112.87 9.74 13.95 24.58 117.87 -158.20 -103.36 130.91 66.97 29.15 3.88 49.49 13.87 3.36 2.76 1.58 0.02 22.84 6.09 8 R C C 119.88 8.31 15.06 24.50 117.76 -158.66 -111.77 121.46 87.49 11.14 1.37 72.11 14.15 1.23 0.95 0.48 0.00 9.64 1.44 9 P C C 62.77 11.42 12.98 25.05 108.85 -129.16 -67.77 145.74 86.37 6.48 7.16 68.75 10.38 7.22 3.47 3.54 0.00 5.27 1.38 10 D C C 90.90 5.58 17.02 23.43 105.73 -125.23 -90.36 86.36 80.80 9.52 9.68 63.71 8.71 7.40 5.26 4.63 0.01 5.71 4.57 11 I C C 67.68 13.88 11.56 25.14 105.18 166.92 -88.43 31.61 68.72 7.24 24.04 35.66 14.25 20.22 9.09 13.78 0.07 4.17 2.76 12 N C C 98.47 6.27 15.96 23.18 102.06 96.57 -92.31 15.47 72.17 6.13 21.70 31.22 16.33 26.39 7.78 12.46 0.06 3.52 2.24 13 Q C C 104.75 6.46 16.16 23.70 113.90 83.58 -103.36 125.95 74.72 5.92 19.37 29.18 20.21 27.05 6.41 11.50 0.05 3.12 2.48 14 G C C 31.90 10.31 15.77 26.49 119.97 -102.02 98.46 -173.82 87.60 6.33 6.08 41.32 23.94 23.16 1.70 4.20 0.00 3.77 1.91 15 N C C 75.93 11.81 18.84 30.36 109.50 -81.81 -95.98 86.49 78.99 15.95 5.06 48.66 21.26 9.65 1.70 3.49 0.01 10.84 4.38 16 Y C C 84.32 14.60 20.27 34.03 116.70 157.78 -96.53 133.46 70.11 26.42 3.46 47.92 17.35 3.88 1.92 1.74 0.01 16.27 10.91 17 L C C 13.34 23.42 14.27 37.47 116.37 -120.57 -91.65 133.93 79.71 18.72 1.57 70.63 7.99 0.87 1.18 0.50 0.00 11.55 7.27 18 T C C 55.48 5.86 23.69 29.52 124.87 -145.22 -91.67 161.58 96.75 2.06 1.20 94.99 1.86 0.34 1.05 0.13 0.00 1.03 0.60 19 A H H 52.72 12.93 14.21 27.43 91.38 -107.83 -57.85 -37.34 8.81 0.10 91.09 1.60 1.28 5.73 81.02 10.22 0.04 0.05 0.04 20 N H H 116.12 1.48 20.24 20.64 91.51 55.10 -65.34 -35.20 7.10 0.06 92.83 0.92 0.70 5.09 80.68 12.53 0.03 0.04 0.02 21 D H H 37.34 14.17 16.93 31.24 93.56 50.29 -70.98 -34.10 5.26 0.08 94.66 1.07 0.60 3.28 81.18 13.79 0.01 0.05 0.02 22 V H H 7.34 25.01 13.06 37.71 92.40 58.05 -64.95 -36.33 6.61 0.15 93.24 1.39 0.82 4.20 80.52 12.89 0.03 0.10 0.04 23 S H H 68.16 5.77 20.40 27.17 90.38 63.32 -67.78 -20.52 46.80 0.31 52.89 2.05 2.13 42.35 43.15 9.85 0.10 0.17 0.20 24 K C T 119.48 5.01 21.79 27.36 93.22 60.14 -87.35 -7.85 70.79 0.27 28.94 3.51 3.25 64.18 21.01 7.73 0.01 0.14 0.17 25 I C C 7.04 26.14 9.58 35.42 115.17 103.75 -77.69 133.81 93.06 6.37 0.57 79.30 12.82 0.45 0.42 0.17 0.00 1.82 5.03 26 R C C 132.19 3.83 23.77 28.23 127.10 -169.41 -122.48 146.20 77.51 22.33 0.16 78.71 0.66 0.10 0.10 0.03 0.00 6.87 13.54 27 V C T 85.58 11.71 15.46 27.42 110.91 -97.99 -62.49 135.25 94.50 5.18 0.32 1.45 3.31 91.33 0.05 0.16 0.00 3.08 0.63 28 G C T 47.74 3.49 20.10 24.30 95.54 25.63 89.38 -6.19 99.25 0.68 0.07 1.07 3.55 94.68 0.01 0.04 0.00 0.63 0.02 29 M C C 32.34 16.30 13.05 30.13 117.89 133.27 -72.74 144.23 99.10 0.88 0.02 87.16 12.02 0.07 0.01 0.01 0.00 0.47 0.28 30 T E B 56.70 5.06 23.42 28.37 121.28 -120.49 -79.39 160.21 35.72 64.11 0.17 31.16 0.29 0.01 0.15 0.00 0.00 3.35 65.03 31 Q H H 51.02 19.34 14.42 33.05 91.45 -110.76 -57.85 -39.72 0.78 0.00 99.22 0.15 0.08 0.44 99.15 0.19 0.00 0.00 0.00 32 Q H H 115.53 3.54 21.38 25.55 91.33 53.52 -63.05 -40.72 0.26 0.00 99.74 0.03 0.02 0.16 99.65 0.14 0.00 0.00 0.00 33 Q H H 78.96 6.41 22.11 28.87 91.99 48.27 -65.76 -40.94 0.11 0.00 99.89 0.01 0.01 0.06 99.77 0.14 0.00 0.00 0.00 34 V H H 2.51 25.39 15.64 41.61 91.56 49.83 -63.94 -43.67 0.09 0.00 99.90 0.01 0.01 0.06 99.88 0.04 0.00 0.00 0.00 35 A H H 20.76 17.26 18.18 35.20 91.30 51.23 -62.56 -41.05 0.12 0.00 99.87 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 36 Y H H 154.59 2.35 23.42 25.27 92.08 50.42 -65.32 -38.46 0.29 0.00 99.70 0.01 0.01 0.25 99.66 0.06 0.00 0.00 0.00 37 A H H 34.51 13.99 19.82 33.46 94.72 46.70 -72.47 -37.89 1.39 0.00 98.61 0.03 0.04 1.35 98.49 0.09 0.00 0.00 0.00 38 L H H 11.02 22.56 15.68 38.26 97.57 32.71 -93.41 -17.89 7.83 0.04 92.13 0.36 0.86 6.52 92.05 0.16 0.02 0.01 0.03 39 G C S 24.83 5.59 21.82 28.59 125.98 -126.62 90.72 -168.39 98.61 1.12 0.26 42.40 49.06 7.33 0.14 0.12 0.00 0.51 0.45 40 T C S 91.36 4.35 21.31 26.48 115.18 -27.37 -80.96 134.99 96.93 3.02 0.05 44.04 53.20 0.37 0.01 0.03 0.00 1.69 0.65 41 P C C 32.21 20.59 11.33 31.07 115.48 -113.78 -66.15 145.85 92.78 7.02 0.21 91.13 1.80 0.35 0.04 0.14 0.00 5.22 1.32 42 L C S 95.00 6.15 19.42 26.46 95.87 -143.42 -79.54 -26.67 85.45 14.45 0.10 18.94 64.93 1.78 0.01 0.10 0.00 13.53 0.71 43 M E E 83.45 7.19 19.11 27.36 136.16 9.16 -147.17 149.94 18.01 81.82 0.17 11.07 6.83 0.97 0.05 0.16 0.00 74.67 6.25 44 S E E 57.03 12.55 14.09 27.02 128.79 -166.06 -131.13 144.92 30.21 69.59 0.20 25.53 3.98 0.53 0.07 0.17 0.00 65.49 4.24 45 D C C 57.12 10.05 13.40 24.72 113.24 -151.10 -110.84 115.41 82.20 17.59 0.21 75.79 4.69 0.75 0.04 0.18 0.00 17.18 1.37 46 P C T 91.93 5.46 13.52 20.71 94.34 -147.78 -66.83 -19.08 94.26 2.39 3.35 11.31 24.48 57.90 0.19 3.82 0.00 1.88 0.42 47 F C T 133.43 4.74 13.50 19.29 98.06 51.75 -88.58 2.20 93.40 2.43 4.17 7.79 23.72 61.49 0.26 4.41 0.00 1.67 0.66 48 G C S 44.70 4.84 15.21 21.13 103.32 -90.60 89.06 6.60 85.53 10.28 4.19 30.06 38.59 17.06 0.44 4.29 0.00 6.97 2.59 49 T C C 58.45 9.03 14.90 24.98 114.67 114.02 -96.82 140.57 87.48 10.54 1.98 34.75 29.08 24.35 0.21 2.01 0.00 8.29 1.30 50 N C C 70.02 11.26 17.53 29.21 100.42 -126.78 -88.22 33.73 75.78 23.03 1.19 28.85 27.32 19.95 0.09 1.27 0.00 21.62 0.90 51 T E E 27.63 13.13 19.33 33.73 125.76 116.49 -113.36 143.53 29.65 70.24 0.12 23.97 5.01 0.48 0.02 0.10 0.00 69.79 0.63 52 W E E 20.40 20.08 19.25 39.44 123.43 -155.57 -112.78 139.16 2.25 97.74 0.01 2.04 0.11 0.01 0.00 0.00 0.00 97.71 0.13 53 F E E 31.43 14.69 24.00 39.23 122.45 -158.73 -113.39 136.49 0.48 99.52 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.54 0.01 54 Y E E 13.60 21.95 20.18 42.03 123.48 -164.80 -115.52 135.29 0.67 99.33 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.37 0.01 55 V E E 22.15 14.08 23.97 38.96 120.31 -155.69 -112.59 130.77 1.08 98.91 0.00 0.97 0.04 0.00 0.00 0.00 0.00 98.96 0.02 56 F E E 21.12 19.74 18.97 38.72 125.57 -171.00 -118.04 143.42 1.77 98.21 0.01 1.54 0.10 0.01 0.00 0.00 0.00 98.27 0.07 57 R E E 72.51 11.84 21.04 33.28 122.90 -160.20 -117.10 136.29 4.47 95.49 0.04 3.96 0.35 0.05 0.01 0.01 0.00 95.36 0.25 58 Q E E 61.28 12.73 16.02 29.36 119.71 -157.32 -106.08 135.15 25.49 74.35 0.16 20.57 4.47 0.58 0.03 0.12 0.00 73.41 0.81 59 Q C C 87.65 7.30 14.34 23.04 114.23 -143.97 -104.86 119.00 75.87 23.86 0.27 64.18 8.83 1.12 0.05 0.23 0.00 24.73 0.86 60 P C T 84.60 5.98 11.46 19.05 110.20 -118.51 -68.17 141.08 89.05 7.54 3.41 29.92 19.53 39.74 0.34 3.30 0.00 6.33 0.84 61 G C T 59.79 1.33 12.19 13.86 106.60 17.57 86.07 -13.89 91.87 3.06 5.07 19.28 28.02 44.52 0.51 4.87 0.00 2.00 0.81 62 H C S 129.57 3.94 8.61 14.15 111.90 83.96 -96.97 114.40 87.38 3.44 9.18 23.31 37.65 26.57 1.06 8.18 0.00 1.83 1.40 63 E C T 156.80 1.23 11.45 13.14 104.46 -109.73 -85.38 33.25 89.46 3.01 7.54 16.14 35.62 38.08 0.80 6.60 0.00 1.90 0.86 64 G C C 43.31 3.38 13.92 18.17 119.84 8.88 113.86 161.34 81.74 13.41 4.84 32.13 25.13 25.66 0.54 4.39 0.01 10.77 1.39 65 V C C 66.51 11.76 10.49 22.68 119.00 -92.57 -98.32 135.73 62.72 36.64 0.64 55.67 4.40 1.02 0.14 0.50 0.00 36.91 1.36 66 T E E 55.49 8.07 16.84 26.33 123.95 -165.67 -116.77 140.72 24.05 75.68 0.26 20.83 2.42 0.54 0.08 0.19 0.00 75.14 0.80 67 Q E E 86.33 12.15 16.26 28.66 122.81 -147.11 -111.97 136.63 9.97 89.84 0.19 7.87 1.47 0.43 0.04 0.12 0.00 89.91 0.17 68 Q E E 43.31 13.98 17.62 32.35 129.30 -174.94 -128.82 144.85 3.20 96.70 0.09 2.70 0.37 0.12 0.02 0.05 0.00 96.68 0.05 69 T E E 41.92 12.01 20.88 33.69 122.40 -146.18 -111.75 135.09 1.10 98.88 0.02 1.03 0.07 0.02 0.01 0.01 0.00 98.85 0.02 70 L E E 9.56 21.69 18.10 40.08 125.15 -167.81 -120.69 139.34 0.38 99.62 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 71 T E E 30.81 10.78 25.70 37.59 118.65 -150.96 -107.54 129.25 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 72 L E E 3.56 25.44 18.11 44.47 120.16 -164.73 -111.42 130.53 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 73 T E E 35.48 9.36 26.52 37.02 120.17 -161.47 -111.83 130.86 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 16.46 22.27 14.05 36.42 123.18 -161.22 -110.47 139.19 0.73 99.27 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.01 0.27 75 N C C 58.69 5.97 18.40 25.35 125.09 -132.79 -83.17 176.70 93.13 6.83 0.04 93.16 0.43 0.08 0.01 0.02 0.00 5.94 0.36 76 S C T 95.54 2.19 14.33 17.99 90.10 -90.72 -64.95 -21.05 98.14 0.46 1.40 0.41 3.30 94.63 0.05 1.26 0.00 0.29 0.06 77 S C T 83.32 1.63 17.58 18.41 91.93 57.44 -86.59 -1.14 98.45 0.08 1.47 0.23 2.77 95.58 0.04 1.31 0.00 0.04 0.02 78 G C S 15.46 15.57 14.04 30.09 96.47 -105.59 85.65 8.08 98.59 0.44 0.96 18.20 76.28 4.15 0.07 0.88 0.00 0.25 0.15 79 V C C 49.57 8.26 21.80 31.38 117.16 140.06 -86.38 137.19 59.34 40.52 0.14 56.98 3.14 0.12 0.09 0.05 0.00 16.33 23.29 80 L E E 16.92 22.73 13.58 36.77 109.08 -115.05 -73.46 125.85 0.74 99.26 0.00 0.70 0.03 0.00 0.00 0.00 0.00 98.70 0.56 81 T E E 63.75 7.02 22.18 29.83 101.90 173.87 -101.44 -28.25 1.20 98.80 0.00 0.81 0.20 0.01 0.00 0.00 0.00 98.97 0.01 82 N E E 69.47 6.48 24.16 31.41 138.55 1.92 -155.98 147.80 0.52 99.48 0.00 0.36 0.05 0.01 0.00 0.00 0.00 99.58 0.00 83 I E E 38.86 22.11 13.20 34.25 124.44 -167.22 -129.75 130.99 0.77 99.22 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.29 0.02 84 D E E 65.40 6.71 22.45 29.65 121.55 -172.41 -120.22 134.65 4.11 95.87 0.02 3.33 0.50 0.04 0.00 0.01 0.00 96.04 0.08 85 N E E 71.53 15.33 14.94 29.38 116.97 -166.30 -109.80 121.44 25.65 74.24 0.10 20.60 4.57 0.33 0.02 0.08 0.00 73.81 0.58 86 K C C 100.48 7.57 18.18 26.80 120.98 -175.20 -115.54 129.72 76.77 22.71 0.53 66.69 8.08 0.84 0.11 0.44 0.00 22.96 0.88 87 P C C 67.87 9.24 15.81 25.92 114.62 -110.86 -67.28 149.81 81.22 12.35 6.44 60.34 11.16 9.22 1.02 5.91 0.00 11.04 1.32 88 A C C 58.83 9.34 14.78 24.77 110.91 -111.17 -77.74 128.71 81.58 10.44 7.98 57.78 12.77 10.77 1.43 7.24 0.01 7.91 2.10 89 L C C 73.60 11.95 10.70 22.86 113.78 -116.85 -92.67 123.33 78.31 14.90 6.79 57.50 12.45 7.71 1.74 5.47 0.01 10.37 4.76 90 S C C 80.41 3.36 11.81 16.89 114.72 -161.61 -99.87 133.59 85.47 10.54 3.99 55.41 16.49 13.45 1.02 3.18 0.00 7.55 2.90 91 G C C 54.79 3.09 10.78 15.58 112.22 -19.52 70.79 125.35 94.05 4.09 1.86 73.12 7.90 12.95 0.38 1.52 0.00 2.94 1.19 92 N C C 122.34 2.61 11.84 15.98 106.58 -83.93 -89.79 72.66 99.88 0.10 0.01 99.67 0.18 0.07 0.00 0.00 0.00 0.05 0.01