# 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 117.25 5.47 11.67 18.75 116.22 -160.52 -96.78 133.12 99.84 0.13 0.02 99.76 0.10 0.04 0.01 0.00 0.00 0.06 0.02 1 A C C 77.33 3.84 9.55 15.36 114.90 -134.95 -86.53 141.88 88.06 4.56 7.38 84.25 1.25 3.56 4.64 1.76 0.00 2.73 1.82 2 R C C 163.02 3.17 9.33 14.39 112.76 -137.92 -90.24 130.68 76.97 8.49 14.54 55.98 12.52 8.05 8.06 6.82 0.01 5.60 2.95 3 S C C 67.87 5.07 9.80 16.60 116.19 -142.93 -93.69 143.02 69.86 10.04 20.10 54.23 8.49 6.87 8.49 11.83 0.01 7.07 3.00 4 L C C 108.62 6.02 10.53 18.00 103.35 -137.25 -82.95 1.07 61.99 9.52 28.49 33.04 15.32 15.41 9.09 18.19 0.07 6.28 2.60 5 K C C 136.16 4.10 12.34 18.10 108.71 83.61 -88.68 103.88 65.48 10.47 24.05 34.13 15.48 17.49 7.78 15.27 0.10 6.77 2.98 6 K C C 137.57 4.26 13.09 19.06 110.29 -139.33 -92.04 96.87 76.60 8.86 14.54 42.29 23.35 11.72 6.01 7.98 0.04 4.92 3.68 7 G C C 30.17 9.07 12.90 22.98 131.62 -121.46 127.79 177.19 93.93 4.99 1.08 56.31 33.48 4.44 0.25 0.87 0.00 3.07 1.57 8 P C C 80.76 6.79 16.17 23.79 105.70 -53.45 -71.55 129.97 92.96 5.56 1.48 44.49 32.53 16.30 0.23 1.39 0.00 4.06 0.99 9 F C C 90.53 11.96 15.24 27.35 112.66 54.39 -93.40 123.59 65.95 32.08 1.98 44.02 12.57 9.12 0.79 1.47 0.01 23.27 8.75 10 V C C 50.93 14.80 13.72 28.56 118.63 -148.99 -105.88 130.82 68.10 30.95 0.95 60.43 5.77 0.78 0.63 0.41 0.00 21.03 10.95 11 D C C 66.27 9.45 15.88 26.18 110.76 -141.41 -87.43 123.40 94.90 3.77 1.33 92.25 2.50 0.66 1.02 0.23 0.00 2.60 0.74 12 G H H 46.20 4.76 15.88 21.91 94.89 -142.44 -64.44 -33.58 21.41 0.11 78.48 3.51 3.19 14.61 76.18 2.37 0.03 0.05 0.06 13 H H H 112.98 3.28 18.57 21.98 92.54 57.61 -66.73 -37.97 12.04 0.08 87.87 1.65 1.23 9.15 85.48 2.38 0.04 0.04 0.04 14 L H H 17.75 17.35 14.54 32.33 92.37 51.51 -64.93 -41.99 2.67 0.05 97.28 0.85 0.34 1.55 95.42 1.79 0.00 0.03 0.01 15 M H H 49.53 12.80 16.71 30.18 91.75 51.29 -63.24 -41.83 0.72 0.01 99.27 0.24 0.08 0.35 98.95 0.38 0.00 0.01 0.00 16 T H H 74.54 1.99 21.95 22.19 91.46 50.23 -64.06 -41.90 0.51 0.01 99.48 0.13 0.05 0.27 99.38 0.16 0.00 0.01 0.00 17 K H H 81.81 7.35 19.98 28.03 91.97 49.74 -65.02 -41.37 0.50 0.01 99.49 0.11 0.04 0.29 99.44 0.12 0.00 0.01 0.00 18 I H H 14.98 19.09 14.64 34.11 91.94 50.08 -64.31 -42.50 0.41 0.01 99.58 0.08 0.03 0.24 99.54 0.11 0.00 0.00 0.00 19 E H H 92.55 4.94 19.70 25.27 91.65 51.27 -63.66 -41.23 0.74 0.01 99.25 0.14 0.05 0.45 99.18 0.18 0.00 0.00 0.00 20 K H H 113.73 1.97 19.88 20.60 92.12 50.06 -65.25 -40.56 2.41 0.02 97.57 0.32 0.16 1.76 97.30 0.45 0.00 0.01 0.00 21 L H H 30.93 11.12 12.88 25.92 92.56 50.83 -65.78 -39.05 6.17 0.07 93.77 0.98 0.60 4.42 93.07 0.86 0.02 0.03 0.02 22 N H H 75.34 8.67 12.86 22.56 93.48 53.84 -66.99 -35.43 20.59 0.21 79.20 3.73 1.89 14.35 78.51 1.28 0.04 0.09 0.10 23 E H H 145.57 1.17 14.21 14.91 93.24 54.80 -70.79 -28.46 40.64 0.44 58.92 7.14 5.38 27.77 57.35 1.90 0.06 0.17 0.23 24 T C T 86.48 2.78 11.70 15.44 101.13 50.51 -90.23 0.02 72.39 0.65 26.96 11.77 18.11 41.16 25.76 2.51 0.03 0.23 0.44 25 D C T 122.88 1.81 12.48 15.51 96.37 -117.29 51.46 34.70 93.66 0.44 5.89 26.01 19.35 48.66 3.20 2.32 0.00 0.22 0.24 26 K C C 113.45 5.14 11.68 18.52 111.80 136.34 -97.64 114.59 94.85 1.12 4.02 59.21 22.54 13.09 1.12 2.94 0.00 0.60 0.51 27 K C C 123.44 7.17 13.31 21.86 110.60 -158.36 -87.25 108.33 93.52 3.46 3.01 72.47 14.58 6.35 0.62 2.61 0.00 2.74 0.64 28 Q C C 89.76 7.75 17.70 26.32 121.10 93.89 -105.68 139.56 77.48 20.77 1.75 61.84 12.12 2.59 0.39 1.36 0.00 20.43 1.27 29 V E E 51.94 14.55 16.24 30.98 116.50 -132.90 -94.78 131.39 46.58 53.14 0.28 42.85 2.96 0.32 0.08 0.16 0.00 52.45 1.17 30 V E E 27.89 17.91 16.55 34.76 117.83 -154.67 -102.48 131.13 18.32 81.59 0.08 17.34 0.87 0.08 0.05 0.04 0.00 80.54 1.08 31 K E E 103.97 8.82 22.66 31.95 117.03 -144.25 -96.33 132.36 13.40 86.54 0.06 12.64 0.66 0.07 0.03 0.03 0.00 85.76 0.81 32 T E E 26.18 20.05 15.03 34.46 126.23 -171.82 -121.10 143.62 34.07 65.78 0.15 31.47 1.76 0.22 0.04 0.09 0.00 65.18 1.24 33 W C C 119.46 9.00 21.26 30.64 108.78 -165.87 -105.88 62.89 63.81 35.83 0.36 42.89 20.13 1.63 0.08 0.32 0.00 33.20 1.74 34 S C C 30.30 13.98 16.85 31.24 123.69 55.91 -117.81 143.22 81.32 17.73 0.95 63.97 14.17 2.91 0.18 0.92 0.00 16.03 1.82 35 R C T 120.38 10.55 17.92 28.75 102.89 -164.84 -91.46 -13.83 87.92 9.45 2.62 15.09 35.54 37.67 0.21 2.64 0.00 7.71 1.12 36 R C T 145.98 4.54 21.41 26.42 101.74 50.13 -93.33 42.11 89.20 8.44 2.36 15.18 36.95 37.07 0.14 2.55 0.00 7.29 0.81 37 S C C 19.19 19.14 13.94 32.76 125.19 122.09 -104.69 152.73 78.91 19.27 1.82 62.72 13.46 2.19 0.20 1.76 0.00 18.60 1.07 38 T E E 59.34 8.57 24.67 33.81 121.42 -140.92 -111.10 136.35 24.10 75.76 0.15 21.06 2.44 0.23 0.07 0.10 0.00 69.79 6.30 39 I E E 21.57 22.61 15.81 38.47 117.20 -146.21 -101.84 127.60 19.62 80.35 0.02 18.66 0.67 0.02 0.02 0.01 0.00 64.43 16.19 40 F C C 55.09 11.13 19.48 31.74 112.86 -130.90 -78.16 131.93 98.84 1.15 0.01 98.95 0.22 0.01 0.00 0.00 0.00 0.76 0.06 41 P H G 69.07 10.04 16.61 27.74 90.97 -124.54 -58.33 -31.32 9.79 0.10 90.11 0.62 0.70 7.02 0.84 90.73 0.00 0.08 0.00 42 Q H G 115.98 4.25 20.66 25.90 89.28 64.96 -67.58 -16.85 8.58 0.06 91.36 0.18 0.40 7.30 0.65 91.41 0.00 0.05 0.00 43 F H G 13.90 21.74 14.00 36.41 94.41 56.71 -94.62 -7.60 8.66 0.09 91.25 0.65 0.69 5.70 0.71 92.20 0.00 0.06 0.01 44 I C T 58.85 14.87 15.50 30.89 112.80 114.65 -61.74 132.56 97.58 1.06 1.36 0.50 1.10 96.79 0.17 0.55 0.00 0.35 0.55 45 G C T 44.25 4.06 21.91 26.76 94.13 22.68 85.73 -4.51 99.61 0.20 0.19 0.22 1.48 98.04 0.01 0.11 0.00 0.14 0.01 46 H C C 45.69 15.67 16.55 32.56 122.81 124.26 -85.95 151.41 95.63 4.35 0.03 88.77 6.49 0.12 0.00 0.02 0.00 4.45 0.13 47 T E E 43.95 11.09 24.08 35.82 118.68 -133.66 -105.37 131.88 1.59 98.40 0.00 1.64 0.04 0.00 0.00 0.00 0.00 98.10 0.23 48 I E E 5.23 24.60 18.25 43.39 125.66 -170.61 -122.09 139.69 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 49 A E E 16.72 13.10 25.27 39.35 117.89 -141.47 -100.67 132.17 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 50 V E E 7.55 21.83 19.19 41.44 121.25 -164.51 -115.98 130.87 0.40 99.60 0.00 0.35 0.02 0.00 0.00 0.00 0.00 99.62 0.01 51 Y E E 48.38 12.56 18.83 32.71 116.51 -155.33 -106.16 123.63 7.00 92.95 0.05 5.64 0.89 0.16 0.01 0.04 0.00 93.07 0.20 52 D E E 57.21 9.49 16.82 27.72 103.47 177.20 -109.52 30.80 42.63 56.13 1.24 21.12 12.03 10.73 0.11 1.29 0.00 53.98 0.73 53 G C T 43.46 6.39 14.87 22.10 98.29 -78.44 77.46 -11.80 98.39 0.45 1.16 1.99 27.91 68.31 0.03 1.36 0.00 0.30 0.10 54 R C T 178.15 1.37 15.19 16.40 103.70 40.94 -99.66 -21.78 98.45 0.69 0.86 2.25 36.21 59.99 0.03 0.92 0.00 0.47 0.12 55 K E E 135.64 1.88 16.78 18.75 126.19 34.68 -125.05 146.32 28.37 71.53 0.10 18.90 9.26 0.80 0.02 0.10 0.00 70.22 0.70 56 H E E 90.04 14.27 11.17 25.14 118.51 -127.97 -95.02 133.26 8.74 91.25 0.01 7.99 0.38 0.02 0.00 0.00 0.00 91.37 0.23 57 V E E 51.52 9.02 18.11 28.74 120.71 -168.67 -122.14 127.23 2.24 97.76 0.00 2.00 0.07 0.00 0.00 0.00 0.00 97.91 0.02 58 P E E 73.76 8.64 19.58 28.84 114.77 -119.84 -69.55 140.59 1.55 98.45 0.00 1.44 0.02 0.00 0.00 0.00 0.00 98.53 0.01 59 V E E 16.94 20.46 15.35 35.75 126.53 -172.92 -126.42 139.73 0.64 99.36 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.36 0.01 60 F E E 96.74 7.54 25.01 33.00 116.74 -136.43 -98.69 130.60 1.14 98.86 0.00 1.10 0.02 0.00 0.00 0.00 0.00 98.80 0.07 61 I E E 8.20 24.72 13.03 38.39 116.12 -146.65 -97.87 127.12 22.50 77.49 0.02 22.58 0.26 0.01 0.01 0.01 0.00 76.66 0.47 62 S C C 37.24 6.07 22.86 29.17 133.81 173.06 -127.43 170.22 93.03 6.85 0.12 91.21 2.16 0.11 0.04 0.06 0.00 5.98 0.44 63 E H G 116.63 9.10 15.00 25.09 90.90 -97.25 -60.60 -31.94 15.53 0.13 84.34 0.73 1.57 12.35 4.18 81.06 0.00 0.09 0.02 64 D H G 117.64 1.35 19.56 20.13 90.07 61.03 -70.16 -16.64 15.34 0.09 84.56 0.48 1.03 13.10 4.00 81.30 0.00 0.06 0.01 65 M H G 31.13 17.62 13.44 31.30 95.62 52.56 -97.57 -4.57 14.76 0.34 84.90 1.90 1.80 10.44 4.59 80.97 0.00 0.24 0.06 66 V C T 46.16 16.62 13.75 30.48 112.91 114.90 -64.56 134.25 84.92 5.69 9.39 5.44 5.75 74.15 5.19 3.75 0.09 3.09 2.55 67 G C T 39.63 6.89 20.40 28.26 95.12 21.63 83.19 -3.78 90.95 1.07 7.97 4.82 7.17 79.00 4.17 3.71 0.01 0.70 0.42 68 H C C 75.18 11.28 17.54 29.24 111.98 121.13 -82.19 151.22 70.45 3.93 25.62 46.12 12.73 11.87 14.22 10.79 0.02 1.83 2.43 69 K C H 97.90 9.99 21.54 31.02 107.06 -105.41 -71.49 -16.24 45.25 11.30 43.45 13.31 10.92 21.47 22.37 18.45 1.77 5.01 6.72 70 L H G 43.59 18.80 16.18 33.90 105.59 -97.01 -70.89 119.72 43.78 4.40 51.81 6.54 8.82 26.72 22.80 28.99 1.08 2.41 2.64 71 G H G 28.37 12.35 18.21 30.14 97.47 32.95 67.76 -12.90 43.77 2.79 53.44 10.58 8.96 24.61 18.15 34.62 0.17 1.43 1.46 72 E C T 101.99 7.22 19.13 26.97 94.34 82.49 -74.99 -20.78 55.85 3.09 41.06 11.77 11.80 31.95 13.56 27.37 0.16 1.78 1.62 73 F C T 93.00 11.04 15.99 27.26 99.99 44.02 -98.12 -2.36 64.40 6.11 29.50 17.21 18.10 30.49 10.46 17.01 0.32 3.02 3.40 74 A C S 35.11 13.37 12.77 26.71 120.69 87.68 -99.91 141.71 90.14 5.04 4.82 40.25 45.70 4.60 2.45 2.12 0.01 2.40 2.47 75 P C C 79.54 6.31 15.52 22.97 108.78 -108.85 -67.35 144.89 86.89 4.21 8.90 59.80 15.17 11.66 3.09 6.05 0.00 2.51 1.72 76 T C C 78.95 8.66 12.38 21.98 111.64 -142.41 -94.23 113.36 80.63 9.29 10.08 56.32 13.76 9.90 3.72 6.61 0.01 5.39 4.29 77 R C C 141.35 5.91 12.85 20.28 114.76 -171.42 -99.00 125.98 78.58 11.88 9.54 52.35 18.37 7.55 4.52 5.20 0.02 7.58 4.42 78 T C C 87.69 4.83 12.64 19.17 115.84 -149.04 -100.66 129.88 78.45 12.99 8.56 55.13 16.34 6.62 4.46 4.29 0.01 9.10 4.06 79 Y C C 126.14 8.07 9.81 19.08 114.48 -156.97 -96.28 128.25 77.35 13.06 9.59 55.60 13.96 6.93 5.83 4.05 0.01 8.25 5.37 80 K C C 148.05 2.60 12.26 16.33 109.94 -157.70 -88.98 117.47 78.54 6.48 14.98 33.25 17.26 29.11 7.86 6.33 0.03 4.01 2.15 81 G C T 47.94 3.96 12.76 18.01 110.49 7.26 93.49 -29.67 80.07 3.63 16.31 27.65 21.64 31.88 7.92 7.42 0.03 1.98 1.49 82 H C C 103.94 7.08 10.57 18.92 109.06 50.60 -93.26 107.97 71.80 4.99 23.21 41.64 16.89 13.50 13.71 9.17 0.03 2.39 2.66 83 A C C 60.67 5.77 12.00 19.06 104.56 -132.13 -75.70 -24.35 64.88 2.62 32.50 32.23 15.55 17.70 19.80 12.08 0.03 1.26 1.35 84 S C C 70.50 4.12 12.18 17.55 100.29 42.38 -73.83 -21.47 59.79 1.77 38.44 28.03 15.57 17.13 23.62 13.83 0.04 0.81 0.97 85 D C C 90.95 4.35 11.59 17.31 100.01 66.00 -82.39 -4.50 54.78 1.71 43.51 30.37 12.32 12.77 29.00 13.85 0.03 0.81 0.85 86 D C C 83.79 5.64 10.37 17.55 101.54 76.69 -82.87 2.46 54.82 1.78 43.40 32.51 10.49 12.55 30.92 11.78 0.02 0.89 0.85 87 K C H 127.77 4.27 10.54 16.36 101.18 88.52 -82.22 6.08 54.02 2.38 43.61 31.97 10.60 12.42 32.22 10.48 0.03 1.22 1.06 88 K C C 139.03 2.88 10.12 14.55 104.73 90.76 -84.10 23.84 59.86 2.90 37.24 34.57 12.82 13.09 27.85 8.87 0.03 1.52 1.24 89 T C C 91.09 3.83 8.41 13.96 108.55 92.06 -89.86 99.82 69.04 4.31 26.65 42.52 12.16 14.17 19.50 7.43 0.02 2.48 1.73 90 R C C 166.18 2.52 8.37 12.74 109.31 69.19 -88.93 110.70 82.75 4.05 13.20 70.32 3.20 9.36 9.67 3.08 0.00 2.29 2.07 91 R C C 167.10 2.74 10.55 15.06 111.98 -143.69 -89.36 125.49 99.81 0.15 0.04 99.66 0.14 0.08 0.02 0.00 0.00 0.07 0.02