# 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 P C C 89.39 4.75 14.10 20.34 112.49 -115.85 -70.84 146.14 99.93 0.04 0.03 99.80 0.10 0.06 0.01 0.00 0.00 0.01 0.01 1 R C C 139.05 6.25 10.47 18.43 115.30 -126.50 -88.92 134.96 86.89 3.44 9.67 83.19 1.27 3.33 6.06 2.59 0.00 1.59 1.96 2 S C C 58.28 4.91 11.79 18.36 119.67 -140.36 -97.72 150.98 72.77 7.14 20.09 58.21 7.65 6.45 9.47 10.69 0.00 4.02 3.50 3 L C G 102.77 7.89 10.13 19.18 96.46 -123.71 -70.00 -21.44 50.07 5.01 44.92 22.18 11.83 18.21 11.44 31.52 0.09 3.15 1.59 4 K C G 147.50 2.68 13.06 17.03 98.31 66.38 -77.88 -13.99 50.42 6.48 43.10 18.61 11.90 22.46 11.14 29.63 0.16 4.21 1.88 5 K C C 133.29 3.79 13.01 18.23 104.38 67.46 -90.22 10.29 58.50 6.47 35.03 23.45 19.21 18.55 9.64 22.69 0.20 3.44 2.82 6 G C C 28.72 8.68 11.99 21.91 129.22 -125.42 123.77 177.25 91.68 3.79 4.53 45.19 31.25 15.29 0.86 3.72 0.00 1.97 1.71 7 P C T 86.60 5.84 15.42 22.28 100.48 -34.00 -71.65 -4.38 92.53 2.89 4.58 26.65 31.27 35.04 0.74 3.72 0.00 1.75 0.83 8 F C C 98.28 10.37 15.69 26.44 105.62 65.63 -93.09 36.10 71.41 22.54 6.05 35.28 17.53 20.89 1.84 4.11 0.06 14.57 5.73 9 I C C 50.25 15.58 13.43 29.07 117.95 138.21 -97.30 128.32 71.33 26.03 2.64 58.95 9.53 1.34 2.15 0.83 0.00 15.18 12.00 10 D C C 54.84 10.50 16.35 28.03 107.57 -133.00 -88.16 112.11 93.26 4.43 2.31 91.91 1.43 0.66 1.82 0.31 0.00 2.91 0.96 11 L H H 91.90 6.79 16.29 24.64 94.03 -168.36 -67.31 -31.52 10.43 0.10 89.48 4.32 1.16 4.80 87.88 1.75 0.00 0.05 0.03 12 H H H 108.56 3.42 19.48 23.01 91.68 58.67 -64.69 -37.66 5.36 0.05 94.60 1.36 0.50 3.35 92.75 2.00 0.01 0.02 0.02 13 L H H 18.07 16.92 15.58 33.05 92.43 51.67 -65.59 -41.02 1.51 0.01 98.48 0.44 0.14 0.85 96.72 1.84 0.00 0.01 0.00 14 L H H 39.96 14.51 16.91 31.74 91.77 52.78 -63.02 -42.05 0.63 0.00 99.36 0.17 0.05 0.34 98.89 0.55 0.00 0.00 0.00 15 K H H 120.67 2.11 23.01 23.78 91.64 50.48 -64.18 -41.30 0.68 0.00 99.32 0.14 0.04 0.42 99.16 0.24 0.00 0.00 0.00 16 K H H 88.54 7.41 21.17 28.99 91.73 49.55 -65.18 -41.13 0.66 0.00 99.34 0.11 0.04 0.42 99.28 0.14 0.00 0.00 0.00 17 V H H 11.07 20.00 15.68 35.96 91.95 50.16 -64.34 -42.46 0.31 0.00 99.68 0.06 0.02 0.16 99.71 0.05 0.00 0.00 0.00 18 E H H 88.93 5.67 21.38 27.50 91.55 50.76 -63.35 -41.73 0.27 0.00 99.72 0.06 0.01 0.14 99.74 0.04 0.00 0.00 0.00 19 V H H 68.80 2.54 20.80 22.58 91.41 49.48 -64.34 -41.98 0.34 0.00 99.66 0.05 0.02 0.21 99.65 0.07 0.00 0.00 0.00 20 A H H 12.32 11.59 13.38 27.46 91.50 51.06 -63.40 -41.56 0.60 0.00 99.39 0.10 0.04 0.36 99.37 0.13 0.00 0.00 0.00 21 V H H 61.32 9.92 13.83 24.67 92.51 49.77 -65.35 -41.19 1.62 0.01 98.37 0.19 0.10 1.15 98.27 0.29 0.00 0.00 0.00 22 E H H 145.39 1.14 15.40 15.85 91.52 50.79 -66.59 -33.03 6.44 0.02 93.55 0.29 0.32 5.53 93.51 0.33 0.01 0.01 0.01 23 K C T 129.43 2.20 12.91 15.74 95.29 44.73 -90.51 3.14 69.53 0.08 30.39 1.38 3.22 61.84 32.64 0.83 0.01 0.02 0.06 24 N C T 134.11 1.51 13.15 15.68 93.18 -120.83 59.09 35.80 98.62 0.04 1.35 6.80 4.49 87.58 0.84 0.26 0.00 0.02 0.02 25 D C C 66.05 7.45 11.06 20.22 112.65 142.45 -99.01 119.52 98.59 0.39 1.02 85.15 9.65 3.71 0.30 0.74 0.00 0.16 0.30 26 R C C 163.01 4.54 14.04 20.56 97.96 -170.99 -92.31 0.03 98.84 0.54 0.61 76.43 19.21 3.05 0.11 0.61 0.00 0.25 0.33 27 K C C 116.27 3.88 18.19 23.31 118.45 114.63 -86.63 141.76 99.11 0.86 0.03 56.57 42.54 0.21 0.01 0.02 0.00 0.48 0.17 28 P C C 57.27 12.48 16.81 29.61 115.73 -104.51 -66.29 147.90 97.05 2.93 0.02 91.27 5.78 0.14 0.00 0.02 0.00 2.61 0.18 29 I E E 21.14 21.37 14.32 35.90 115.31 -123.01 -94.17 130.31 18.24 81.73 0.03 17.68 0.48 0.03 0.02 0.01 0.00 75.11 6.67 30 K E E 108.57 7.05 24.06 31.87 116.61 -144.70 -96.04 130.84 15.70 84.27 0.02 15.21 0.53 0.03 0.01 0.01 0.00 82.50 1.71 31 T E E 24.42 21.20 13.74 34.19 126.51 -170.29 -118.51 146.23 43.94 55.93 0.13 40.87 2.05 0.23 0.03 0.09 0.00 54.82 1.91 32 W C C 126.10 7.70 20.76 29.11 102.45 -166.15 -98.62 -12.02 76.84 22.54 0.62 41.12 33.09 3.60 0.10 0.59 0.00 19.88 1.62 33 S C C 33.08 12.84 16.62 30.08 124.71 66.10 -115.88 140.12 87.87 10.43 1.71 53.97 27.65 6.38 0.27 1.75 0.00 8.22 1.76 34 R C S 128.40 10.79 16.91 28.04 98.95 -165.77 -92.74 -13.18 83.50 6.16 10.34 25.94 34.74 23.50 0.90 9.43 0.01 4.23 1.25 35 R C S 148.76 4.07 21.18 25.72 101.13 61.15 -91.66 14.61 82.39 7.15 10.46 26.72 34.48 21.84 0.73 9.85 0.01 5.23 1.14 36 S C C 19.53 19.27 13.83 32.76 119.82 117.79 -86.87 145.50 73.70 16.22 10.08 56.00 12.69 4.68 0.89 9.47 0.00 15.11 1.16 37 M E E 83.65 8.56 24.26 33.36 121.12 -145.44 -109.56 133.40 33.08 66.13 0.79 28.61 3.23 0.59 0.35 0.55 0.00 57.51 9.15 38 I E E 20.86 22.85 15.20 38.02 116.88 -152.88 -102.02 128.08 24.85 75.08 0.08 23.90 0.87 0.04 0.06 0.03 0.00 53.87 21.22 39 L C C 48.38 10.50 19.87 31.39 114.02 -133.40 -80.45 135.49 98.89 1.09 0.01 98.84 0.38 0.02 0.00 0.00 0.00 0.69 0.07 40 P H G 70.30 10.20 16.35 27.60 91.08 -122.67 -58.57 -31.28 9.96 0.11 89.93 0.86 0.80 6.89 1.04 90.31 0.00 0.09 0.01 41 H H G 125.84 4.39 20.61 26.02 89.69 64.63 -67.88 -16.57 8.99 0.07 90.94 0.26 0.48 7.45 0.81 90.94 0.00 0.05 0.00 42 M H G 13.51 21.77 14.07 36.39 94.45 57.50 -93.02 -7.77 8.77 0.10 91.13 0.71 0.74 5.73 0.76 91.99 0.00 0.07 0.01 43 V C T 52.96 14.65 15.99 31.10 112.69 115.15 -63.04 132.53 96.72 1.44 1.83 0.59 1.48 95.60 0.24 0.84 0.00 0.52 0.72 44 G C T 44.25 4.03 22.21 27.04 94.24 22.54 85.00 -3.00 99.49 0.26 0.25 0.30 1.75 97.56 0.01 0.17 0.00 0.18 0.02 45 L C C 25.62 17.97 15.69 34.16 120.11 128.46 -78.07 147.84 95.52 4.46 0.02 90.58 4.56 0.09 0.00 0.02 0.00 4.61 0.12 46 T E E 43.33 10.53 25.07 36.33 117.90 -137.44 -105.30 129.66 1.30 98.70 0.00 1.30 0.04 0.00 0.00 0.00 0.00 98.49 0.17 47 I E E 4.03 25.49 18.43 44.69 123.09 -168.78 -118.50 133.75 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 48 A E E 16.80 12.79 25.94 39.78 117.67 -145.84 -100.94 130.91 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 49 V E E 6.68 22.58 19.22 42.23 120.22 -164.67 -114.39 129.87 0.49 99.51 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.54 0.01 50 H E E 43.75 12.46 19.13 32.76 114.93 -154.63 -102.76 121.52 8.50 91.43 0.07 6.84 1.08 0.24 0.01 0.05 0.00 91.55 0.22 51 N E E 59.89 9.81 16.51 27.81 101.74 176.20 -107.71 24.50 44.59 54.44 0.96 26.72 11.44 7.37 0.10 0.99 0.00 52.56 0.83 52 G C T 44.92 5.85 15.03 21.63 98.65 -86.04 77.24 -15.32 98.43 0.48 1.09 2.25 32.84 63.19 0.03 1.27 0.00 0.31 0.11 53 R C T 178.15 1.39 15.19 16.41 103.52 35.87 -99.24 -25.01 98.45 0.68 0.87 2.56 38.28 57.59 0.03 0.96 0.00 0.46 0.12 54 Q E E 117.56 2.14 16.89 19.29 127.80 31.97 -127.17 147.84 29.99 69.88 0.13 20.84 9.12 0.94 0.02 0.13 0.00 68.12 0.84 55 H E E 88.08 14.75 11.30 25.63 119.46 -130.02 -99.76 133.80 9.01 90.98 0.01 8.16 0.47 0.03 0.00 0.00 0.00 90.99 0.33 56 V E E 50.72 9.21 18.43 29.22 120.99 -168.58 -123.02 127.04 3.15 96.85 0.00 2.84 0.10 0.00 0.00 0.00 0.00 97.02 0.03 57 P E E 74.11 8.76 19.85 29.23 114.67 -119.17 -69.11 140.05 2.00 98.00 0.00 1.87 0.03 0.00 0.00 0.00 0.00 98.08 0.01 58 V E E 16.00 20.78 15.23 35.95 127.15 -173.28 -127.80 139.90 0.67 99.33 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.32 0.02 59 L E E 77.92 7.03 25.54 33.02 115.02 -133.48 -93.05 128.86 1.43 98.57 0.00 1.41 0.03 0.00 0.00 0.00 0.00 98.47 0.09 60 V E E 6.71 25.22 12.92 38.81 114.48 -146.62 -95.50 125.54 28.96 71.01 0.03 28.33 0.55 0.03 0.01 0.01 0.00 70.56 0.52 61 N C C 55.55 5.40 23.69 29.28 136.08 164.21 -134.33 172.36 94.29 5.53 0.18 89.57 4.83 0.18 0.08 0.08 0.00 4.79 0.47 62 E H G 113.11 9.90 15.03 25.77 90.77 -93.88 -61.35 -31.36 20.31 0.15 79.54 0.94 2.13 16.84 7.62 72.34 0.00 0.10 0.03 63 D H G 118.26 1.30 19.88 20.27 90.71 60.17 -72.12 -17.59 19.58 0.11 80.31 0.67 1.37 17.15 7.76 72.95 0.00 0.07 0.03 64 M H G 30.99 17.51 13.90 31.66 96.34 51.80 -95.72 -7.08 18.06 0.50 81.44 2.57 2.33 13.10 8.99 72.54 0.00 0.36 0.11 65 V C T 37.11 18.61 14.02 32.35 113.67 112.42 -66.49 135.32 67.15 8.98 23.88 8.09 7.24 50.47 17.49 7.35 0.45 5.14 3.77 66 G C T 35.57 8.49 20.54 29.63 96.78 21.15 83.38 -5.53 76.18 2.97 20.84 8.17 8.81 57.92 14.41 7.49 0.13 2.12 0.96 67 H C C 82.62 9.71 19.21 29.36 102.99 113.03 -72.61 -32.84 53.41 5.44 41.15 28.49 10.88 14.78 27.51 13.09 0.08 3.41 1.76 68 K H H 91.79 10.89 21.49 31.84 96.87 43.04 -72.23 -31.04 37.37 11.98 50.65 15.52 8.52 15.04 33.46 15.06 1.08 7.45 3.87 69 L H H 30.43 20.47 15.45 35.01 95.25 53.86 -69.77 -32.57 34.20 5.72 60.08 10.15 7.42 16.88 38.02 20.98 0.97 3.78 1.79 70 G H H 29.99 10.07 18.40 28.87 94.59 55.07 -60.72 -35.50 34.83 2.49 62.69 11.48 6.60 16.40 35.76 27.20 0.16 1.52 0.87 71 E H H 106.30 5.06 19.98 25.46 93.14 55.26 -70.58 -29.91 38.01 2.31 59.68 8.45 6.58 21.55 32.10 28.74 0.26 1.47 0.85 72 F H H 66.06 13.55 15.31 29.10 97.60 47.27 -91.78 -12.65 41.89 4.22 53.88 12.07 7.85 21.51 29.82 24.16 0.39 2.62 1.58 73 A H H 35.33 14.75 12.41 27.09 97.60 81.51 -69.15 -36.15 44.69 7.09 48.22 24.35 9.54 11.37 26.29 21.80 0.13 4.55 1.98 74 A C C 75.27 3.82 15.99 20.65 97.67 58.11 -73.86 -16.37 50.00 9.58 40.42 25.05 10.00 15.53 20.06 20.17 0.14 7.12 1.93 75 T C C 87.08 4.93 13.65 19.72 100.27 53.82 -94.11 4.45 52.15 13.49 34.36 29.02 9.78 14.87 14.57 18.95 0.17 10.13 2.52 76 R C C 111.71 9.91 9.85 20.48 117.37 104.18 -95.38 134.37 68.46 19.05 12.49 44.23 16.79 7.74 7.57 5.21 0.07 14.55 3.83 77 T C C 98.70 2.88 12.26 16.87 116.56 -159.47 -101.69 131.41 69.14 25.49 5.37 53.49 10.35 4.66 3.17 2.40 0.01 21.79 4.14 78 Y C C 137.11 7.19 8.64 17.26 116.06 -149.04 -97.02 131.08 75.69 22.85 1.46 72.23 1.61 1.55 0.82 0.53 0.00 17.97 5.29 79 R C C 164.04 3.00 12.63 17.46 114.45 -151.64 -97.20 130.31 99.73 0.26 0.01 99.71 0.08 0.02 0.00 0.00 0.00 0.17 0.01