# 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 R C C 162.97 2.82 10.34 14.90 114.62 -151.01 -92.22 132.01 99.90 0.07 0.03 99.83 0.08 0.04 0.01 0.00 0.00 0.03 0.01 1 K C C 149.01 2.43 8.00 12.28 113.43 -137.01 -90.30 130.42 86.44 5.02 8.54 81.84 1.34 4.56 4.15 2.96 0.00 3.36 1.79 2 K C C 150.08 2.22 7.70 11.66 112.59 -146.08 -91.23 129.31 80.39 8.78 10.83 60.48 11.99 7.92 4.63 6.10 0.01 6.68 2.20 3 K C C 145.51 2.52 8.43 12.65 112.84 -149.53 -94.48 125.38 75.30 12.90 11.80 57.05 11.71 6.26 5.41 6.55 0.01 9.94 3.07 4 V C C 104.62 3.41 8.60 13.67 110.59 -160.75 -98.76 113.38 74.82 14.15 11.02 56.47 11.56 6.28 5.57 5.67 0.01 10.56 3.88 5 Y C C 147.82 4.42 7.91 13.97 109.90 68.31 -91.90 106.18 81.58 10.22 8.20 58.48 13.90 8.96 3.98 4.26 0.01 7.34 3.08 6 T C C 104.87 2.16 10.05 13.39 105.38 80.27 -97.92 13.45 87.83 7.26 4.91 56.58 24.26 7.25 2.45 2.44 0.00 4.55 2.47 7 T C C 87.28 3.58 8.84 14.28 118.18 104.37 -101.38 135.16 94.75 3.90 1.34 57.92 36.13 1.27 0.98 0.42 0.00 2.12 1.17 8 P C C 90.66 4.33 8.67 14.92 113.20 -107.34 -67.27 148.73 87.86 3.06 9.08 70.87 10.18 6.84 5.38 3.64 0.00 2.13 0.96 9 K C C 152.93 2.20 9.35 13.12 112.80 -126.75 -87.24 136.61 76.22 8.78 15.00 50.82 17.14 8.27 8.94 6.15 0.02 6.19 2.48 10 K C C 153.30 2.12 9.22 12.92 113.44 -119.05 -90.71 129.13 67.96 15.80 16.24 50.34 11.21 5.63 10.63 6.18 0.03 11.55 4.44 11 I C C 103.80 5.34 6.94 14.01 115.40 -149.99 -98.64 128.70 72.73 13.56 13.71 62.17 6.54 3.32 10.25 3.84 0.01 10.95 2.92 12 K C C 157.48 1.54 9.84 12.36 110.44 -157.49 -94.18 120.92 73.72 12.31 13.98 55.94 11.45 5.54 10.87 3.89 0.02 9.37 2.92 13 H C C 126.33 3.75 7.30 12.88 114.57 -148.13 -99.52 127.10 76.82 9.27 13.92 57.23 12.20 6.83 10.31 4.18 0.02 6.48 2.76 14 K C C 153.40 1.95 9.07 12.30 105.05 -151.00 -85.12 22.80 76.42 4.98 18.60 42.04 17.31 17.28 12.44 6.17 0.02 3.26 1.49 15 H C C 137.59 2.72 8.05 12.40 110.13 43.63 -91.15 112.54 77.20 4.76 18.04 37.87 19.10 20.94 10.94 6.69 0.03 2.88 1.56 16 K C C 147.60 2.47 9.15 13.25 107.48 -149.31 -87.63 76.04 77.89 5.92 16.20 44.61 18.14 15.36 10.00 6.23 0.02 3.86 1.79 17 A C C 82.40 2.77 9.77 14.17 111.32 63.22 -87.34 125.60 76.53 10.64 12.83 47.89 17.52 11.12 8.86 4.25 0.02 8.02 2.32 18 V C C 80.50 6.81 9.02 17.52 118.51 -162.31 -104.92 135.55 72.11 16.78 11.10 54.19 13.07 4.38 8.61 2.99 0.01 13.76 2.98 19 K C C 146.83 2.70 13.53 17.59 113.45 -136.03 -89.77 129.33 69.06 20.05 10.89 55.49 8.36 4.10 8.26 2.94 0.01 18.08 2.76 20 L C C 76.29 11.15 10.40 22.14 119.74 -155.13 -101.48 137.93 63.96 23.93 12.11 53.89 6.09 2.97 8.77 3.43 0.01 21.50 3.34 21 A C C 55.74 6.56 15.74 23.51 114.22 -133.84 -89.45 136.48 58.49 29.04 12.47 49.23 5.71 2.97 8.48 4.00 0.01 24.90 4.70 22 V C C 66.10 12.16 13.04 25.48 113.94 -136.76 -90.73 128.04 40.03 26.09 33.88 31.31 5.60 4.75 12.63 20.09 0.03 22.78 2.81 23 L H G 88.93 7.57 16.00 24.37 101.30 -158.69 -87.18 -29.12 37.24 20.89 41.87 18.29 10.43 12.40 9.36 29.68 0.09 18.17 1.58 24 S C G 48.22 8.04 17.87 26.90 132.10 2.13 -140.00 149.65 40.45 21.90 37.66 19.45 10.34 13.71 6.25 28.73 0.03 20.48 1.01 25 Y C C 80.77 12.90 14.89 28.37 122.86 -155.67 -113.86 138.19 57.42 34.48 8.10 42.11 11.29 4.11 1.73 5.80 0.00 33.91 1.05 26 Y E E 63.43 12.60 13.89 27.56 129.41 -172.41 -121.32 151.52 12.86 87.04 0.11 11.89 0.89 0.10 0.04 0.05 0.00 86.39 0.63 27 K E E 113.20 5.02 17.66 24.03 124.60 -145.39 -114.73 145.23 1.68 98.31 0.01 1.63 0.09 0.01 0.00 0.00 0.00 98.20 0.06 28 V E E 64.90 10.88 9.67 21.55 117.61 -127.75 -99.80 132.66 2.14 97.85 0.01 2.14 0.07 0.00 0.01 0.00 0.00 95.54 2.23 29 D C C 59.75 4.34 10.71 17.11 124.47 -139.20 -85.91 175.19 96.96 3.02 0.02 97.32 0.21 0.05 0.00 0.01 0.00 2.06 0.35 30 A C T 105.87 0.46 9.18 9.46 89.64 -90.34 -63.29 -21.89 99.52 0.16 0.32 0.30 2.59 96.69 0.01 0.29 0.00 0.11 0.02 31 E C T 158.03 0.47 10.73 9.86 92.42 53.88 -88.13 0.57 99.63 0.05 0.32 0.14 2.41 97.14 0.00 0.28 0.00 0.02 0.01 32 G C S 40.75 5.97 9.67 17.49 95.92 -105.96 83.51 7.33 99.43 0.32 0.25 13.99 84.76 0.80 0.02 0.17 0.00 0.16 0.10 33 K C C 118.52 2.24 14.48 17.58 118.74 136.69 -85.20 143.38 96.38 3.60 0.02 95.52 1.51 0.05 0.00 0.01 0.00 2.28 0.62 34 V E E 59.86 13.85 9.35 23.26 115.08 -126.07 -91.29 129.60 1.19 98.81 0.00 1.26 0.02 0.00 0.00 0.00 0.00 97.80 0.92 35 T E E 70.00 4.54 17.30 23.05 125.16 -172.47 -122.26 144.23 1.06 98.94 0.00 1.03 0.05 0.00 0.00 0.00 0.00 98.85 0.06 36 K E E 107.21 10.23 12.96 24.05 111.31 -117.65 -78.65 126.81 6.79 93.18 0.03 6.37 0.48 0.07 0.00 0.02 0.00 92.46 0.59 37 L C C 73.72 8.41 15.25 24.99 101.95 -169.79 -92.39 -24.73 65.29 34.54 0.17 49.37 13.02 0.94 0.02 0.18 0.00 36.09 0.39 38 R C C 101.15 10.43 15.55 26.46 128.18 0.03 -140.98 142.35 62.36 37.49 0.15 49.10 11.01 0.96 0.02 0.16 0.00 38.00 0.75 39 R E E 114.01 9.79 17.04 27.70 125.33 -164.50 -118.26 138.17 44.45 55.45 0.09 41.81 2.38 0.22 0.02 0.07 0.00 54.22 1.27 40 E E E 98.05 8.98 17.98 27.69 120.66 -141.89 -99.91 142.48 16.27 83.65 0.08 14.30 0.80 0.04 0.07 0.02 0.00 50.16 34.61 41 C C C 18.99 18.38 9.49 27.58 114.78 -114.89 -78.17 137.61 83.82 16.14 0.04 83.01 1.61 0.11 0.01 0.03 0.00 13.27 1.96 42 S C S 90.99 1.56 18.18 19.38 93.71 -140.66 -78.87 -12.60 98.40 1.57 0.03 43.42 54.43 0.85 0.00 0.04 0.00 0.97 0.30 43 N C S 64.07 7.59 11.27 20.81 119.02 85.87 -96.60 137.33 97.72 2.13 0.16 10.56 85.66 1.64 0.03 0.07 0.00 0.71 1.32 44 P C T 118.10 1.83 13.58 16.59 91.50 -134.88 -64.66 -21.90 98.10 0.33 1.57 1.13 17.22 79.57 0.05 1.72 0.00 0.21 0.11 45 T C T 102.58 2.29 16.40 19.12 94.16 58.43 -85.80 -11.80 96.85 0.97 2.17 2.02 15.92 78.76 0.13 2.21 0.00 0.66 0.29 46 C C C 23.62 18.13 10.01 27.24 112.55 71.07 -94.85 93.05 84.14 12.55 3.31 43.84 27.20 10.92 0.63 2.84 0.01 3.24 11.33 47 G C C 27.28 6.67 18.89 26.48 126.97 -145.79 69.29 -172.95 94.44 4.16 1.40 77.80 10.34 5.59 0.26 1.33 0.00 1.78 2.90 48 A C T 72.11 5.90 19.29 25.86 105.17 -49.92 -64.19 130.38 96.74 1.77 1.48 2.27 9.70 84.68 0.11 1.50 0.00 1.13 0.61 49 G C T 29.82 10.27 20.01 30.49 95.40 31.23 79.80 -2.49 97.58 1.21 1.21 4.29 10.44 82.41 0.04 1.63 0.00 1.05 0.14 50 V C C 23.16 17.58 17.17 35.25 118.80 119.52 -86.58 137.82 65.27 34.52 0.22 58.71 5.52 0.32 0.04 0.19 0.00 33.38 1.83 51 F E E 45.82 14.05 23.64 37.70 129.12 -166.47 -121.60 147.13 9.51 90.47 0.02 9.04 0.45 0.03 0.01 0.01 0.00 88.75 1.71 52 L E E 30.55 18.63 19.95 38.17 117.21 -121.86 -92.67 136.09 4.56 95.43 0.00 4.54 0.10 0.01 0.00 0.00 0.00 95.23 0.12 53 A E E 18.02 14.59 18.97 34.39 131.09 -175.04 -129.26 153.84 1.87 98.12 0.01 1.69 0.10 0.01 0.00 0.00 0.00 98.13 0.05 54 N E E 83.61 8.74 16.74 26.48 117.04 -127.28 -101.37 131.39 4.06 95.91 0.03 3.32 0.56 0.07 0.00 0.01 0.00 95.80 0.24 55 H E E 75.55 9.99 11.21 22.48 121.03 174.26 -131.42 124.38 36.04 63.83 0.13 31.71 3.40 0.46 0.03 0.11 0.00 63.56 0.73 56 K C T 171.06 0.89 14.12 14.30 98.96 -37.79 52.55 -36.11 98.60 1.11 0.28 1.83 35.24 61.60 0.01 0.31 0.00 0.91 0.10 57 D C T 124.47 1.80 13.14 15.69 96.72 -28.45 -71.76 10.97 99.03 0.77 0.20 1.86 33.63 63.58 0.00 0.23 0.00 0.64 0.06 58 R E E 95.70 8.00 13.53 23.23 129.53 87.78 -120.92 148.83 25.51 74.45 0.03 20.63 3.62 0.24 0.00 0.03 0.00 75.13 0.34 59 L E E 53.27 12.87 15.63 29.55 118.91 -145.43 -107.90 131.08 2.61 97.39 0.00 2.27 0.12 0.01 0.00 0.00 0.00 97.54 0.06 60 Y E E 58.75 11.61 20.33 33.02 130.01 -176.07 -129.53 147.02 1.18 98.82 0.00 1.00 0.05 0.00 0.00 0.00 0.00 98.85 0.09 61 C E E 20.98 17.32 16.40 34.19 124.57 -153.41 -117.24 138.67 18.00 81.96 0.04 15.19 1.88 0.18 0.01 0.03 0.00 82.38 0.33 62 G C T 26.76 9.88 20.18 30.05 123.11 12.66 82.23 -152.52 84.99 10.97 4.04 7.69 33.14 44.32 0.20 4.01 0.01 9.60 1.03 63 K C T 128.78 5.48 19.97 26.30 93.73 -26.05 -72.69 -21.87 92.54 3.51 3.95 4.00 30.47 58.11 0.20 3.96 0.00 2.54 0.72 64 C C T 37.52 14.49 15.70 30.41 98.89 51.33 -97.29 1.50 85.66 11.02 3.33 10.06 25.15 50.47 0.24 3.44 0.00 9.26 1.37 65 H C C 82.22 13.82 17.24 30.39 109.42 67.24 -77.28 99.72 56.48 42.10 1.42 38.63 12.63 5.96 0.33 1.28 0.00 37.67 3.49 66 S E E 43.47 10.03 18.82 29.53 116.83 153.53 -95.65 135.85 43.17 56.30 0.53 36.69 4.41 1.19 0.14 0.40 0.00 55.78 1.39 67 V E E 69.00 13.11 15.11 28.32 123.01 -162.40 -116.87 136.50 22.33 77.39 0.28 19.45 2.08 0.42 0.10 0.18 0.00 76.68 1.09 68 Y E E 105.16 8.91 15.82 25.92 124.62 -168.98 -121.12 140.35 11.35 88.44 0.21 10.25 0.82 0.22 0.09 0.13 0.00 87.46 1.04 69 K E E 123.69 6.55 14.00 22.11 117.46 -146.55 -101.10 132.51 12.90 86.84 0.27 11.66 0.84 0.25 0.12 0.15 0.00 85.68 1.30 70 V E E 74.77 8.54 10.06 19.96 118.85 -163.78 -108.12 131.69 33.57 65.77 0.66 28.65 3.47 1.15 0.26 0.41 0.00 64.04 2.02 71 N C C 126.45 1.73 11.53 14.41 112.22 -131.89 -90.12 121.32 63.26 36.19 0.55 58.46 1.67 1.49 0.15 0.33 0.00 36.09 1.81 72 A C C 74.81 5.34 10.36 17.15 106.71 -140.46 -83.34 95.84 99.78 0.22 0.01 99.68 0.10 0.04 0.00 0.00 0.00 0.16 0.01