# 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 E C C 127.80 3.73 16.38 21.13 112.71 -135.46 -90.17 123.61 99.91 0.07 0.02 99.80 0.09 0.04 0.01 0.00 0.00 0.03 0.01 1 A C C 55.62 11.29 10.24 21.77 110.03 -130.01 -78.67 131.49 81.66 1.94 16.40 74.89 1.53 7.95 4.54 9.18 0.00 1.29 0.62 2 R C C 135.84 6.51 13.01 20.78 107.48 -169.71 -92.21 69.24 73.17 5.43 21.39 44.37 13.36 16.18 4.88 16.19 0.01 3.57 1.46 3 D C C 92.72 5.71 15.87 22.61 104.04 -114.01 -80.30 71.19 66.72 10.33 22.95 43.42 13.96 10.38 5.36 17.12 0.01 8.19 1.56 4 I C C 49.26 15.24 14.25 29.34 100.95 147.31 -88.83 -17.38 57.66 27.25 15.09 33.95 17.35 8.04 5.86 8.24 0.10 23.60 2.86 5 L E E 44.82 16.01 14.42 30.53 115.13 75.77 -98.64 122.03 38.13 54.00 7.87 27.40 6.30 3.96 4.73 3.69 0.08 44.08 9.76 6 K C E 103.73 9.27 17.56 27.60 117.57 -167.79 -107.92 127.58 49.29 48.47 2.24 38.84 8.09 2.10 1.31 1.21 0.01 43.37 5.07 7 R C C 129.99 7.14 18.34 26.69 123.81 -137.76 -120.59 136.21 66.62 33.24 0.14 50.85 14.88 0.52 0.04 0.11 0.00 32.45 1.14 8 P C C 52.43 14.96 14.66 29.40 115.15 -110.39 -67.41 147.40 75.63 24.06 0.31 69.05 4.78 0.68 0.09 0.23 0.00 23.69 1.48 9 V C C 62.48 10.64 18.06 29.38 112.11 -128.79 -90.84 123.29 72.33 27.17 0.50 63.42 7.91 0.91 0.25 0.31 0.00 17.64 9.57 10 I C C 64.68 15.12 13.33 28.33 118.28 -158.35 -107.18 125.78 87.91 11.77 0.32 80.41 7.44 0.48 0.17 0.15 0.00 8.27 3.06 11 T C C 52.28 6.08 15.75 23.31 130.80 155.25 -116.17 174.26 96.78 2.58 0.64 81.69 14.91 0.43 0.60 0.12 0.00 1.19 1.07 12 E H H 149.27 1.50 15.92 17.53 91.14 -96.24 -59.37 -37.23 11.60 0.11 88.29 1.93 3.15 7.15 85.75 1.87 0.05 0.04 0.06 13 K H H 116.35 4.36 16.99 22.22 92.05 52.17 -65.48 -39.24 10.71 0.12 89.17 1.83 1.63 7.57 86.37 2.42 0.06 0.06 0.06 14 S H H 13.49 18.23 12.03 30.12 92.43 51.58 -65.77 -39.29 6.54 0.18 93.28 2.89 1.11 2.95 90.11 2.75 0.02 0.11 0.05 15 S H H 49.96 5.93 17.65 24.68 92.01 53.66 -63.78 -41.22 3.35 0.11 96.54 1.72 0.51 1.29 95.00 1.39 0.01 0.07 0.02 16 E H H 109.47 1.86 20.16 20.57 92.19 50.16 -65.30 -40.71 3.24 0.18 96.58 1.30 0.50 1.65 95.10 1.27 0.02 0.11 0.04 17 A H H 18.69 12.42 13.55 27.53 92.24 50.92 -65.73 -40.22 4.10 0.24 95.67 1.61 0.59 2.18 93.71 1.68 0.02 0.16 0.05 18 M H H 69.20 13.22 12.96 26.23 92.86 52.85 -65.36 -39.89 5.69 0.16 94.16 1.67 0.66 3.44 91.63 2.42 0.02 0.11 0.04 19 A H H 86.00 1.49 16.22 17.35 91.77 54.97 -66.67 -28.81 15.56 0.17 84.27 1.70 1.29 12.88 81.85 2.05 0.07 0.08 0.08 20 E C T 121.31 2.77 15.13 18.43 95.23 49.38 -89.38 1.99 85.84 0.05 14.11 0.82 2.72 82.04 13.13 1.21 0.00 0.02 0.05 21 D C T 98.57 6.43 15.84 23.62 94.86 -112.45 61.66 34.71 99.46 0.04 0.50 2.32 2.93 94.42 0.20 0.11 0.00 0.02 0.01 22 K C C 71.85 11.99 16.75 29.30 125.58 136.81 -109.54 147.60 72.17 27.77 0.06 65.28 5.46 0.24 0.01 0.04 0.00 28.13 0.84 23 Y E E 38.54 17.47 19.17 36.61 118.22 -130.82 -97.17 135.19 16.41 83.57 0.02 15.75 0.48 0.03 0.00 0.01 0.00 83.46 0.26 24 T E E 26.69 16.26 22.48 38.62 128.45 -166.27 -123.54 142.33 3.09 96.91 0.00 3.03 0.06 0.00 0.00 0.00 0.00 96.85 0.05 25 F E E 13.89 21.77 20.10 41.59 130.58 -173.48 -130.61 144.39 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 26 D E E 57.43 10.60 25.94 36.84 116.53 -139.73 -101.78 127.64 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 27 V E E 8.90 23.43 15.06 38.49 132.86 172.70 -134.22 151.58 3.97 96.03 0.00 4.00 0.07 0.00 0.00 0.00 0.00 95.72 0.21 28 D C C 56.13 7.53 22.26 30.47 111.50 -105.84 -72.39 134.67 53.10 46.86 0.04 52.78 0.60 0.05 0.00 0.03 0.00 46.08 0.45 29 T C T 60.50 14.53 14.84 29.51 91.81 -134.35 -65.39 -20.64 97.57 1.53 0.90 1.20 7.19 89.38 0.03 0.93 0.00 1.14 0.13 30 R C T 169.24 1.73 20.85 21.89 93.40 60.64 -87.26 -1.92 98.53 0.71 0.76 1.59 5.75 91.24 0.03 0.81 0.00 0.52 0.06 31 V C C 17.36 20.14 9.57 29.43 116.55 117.37 -71.42 140.83 98.47 1.27 0.27 68.33 30.01 0.31 0.09 0.15 0.00 0.51 0.61 32 N C C 78.20 3.44 23.50 25.89 125.41 -138.91 -93.76 166.39 97.46 2.35 0.19 96.85 0.70 0.06 0.12 0.02 0.00 0.44 1.81 33 K H H 92.59 14.79 14.16 28.55 91.20 -103.87 -58.52 -37.58 2.35 0.00 97.65 0.28 0.35 1.48 97.66 0.22 0.00 0.00 0.00 34 T H H 88.00 2.12 21.65 22.76 91.69 53.05 -64.26 -40.71 1.49 0.00 98.51 0.13 0.14 1.10 98.42 0.20 0.00 0.00 0.00 35 Q H H 66.92 8.77 20.38 29.82 91.88 49.34 -65.56 -40.64 0.42 0.00 99.58 0.07 0.04 0.24 99.51 0.13 0.00 0.00 0.00 36 V H H 1.96 26.49 15.18 42.39 91.17 49.65 -63.63 -43.38 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 37 K H H 78.39 13.63 21.80 34.55 91.32 51.45 -61.89 -42.32 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 38 M H H 99.57 2.58 26.07 27.41 91.67 49.37 -64.38 -42.05 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 39 A H H 8.89 15.87 20.64 37.49 91.49 50.19 -63.75 -43.15 0.06 0.00 99.94 0.00 0.00 0.04 99.96 0.00 0.00 0.00 0.00 40 V H H 2.24 26.16 16.98 43.68 91.78 48.91 -64.34 -43.06 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 41 E H H 81.30 9.70 19.76 29.79 91.89 50.93 -63.76 -41.21 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 E H H 121.28 2.68 21.76 24.07 92.57 48.59 -67.33 -39.57 0.25 0.00 99.75 0.01 0.01 0.22 99.72 0.04 0.00 0.00 0.00 43 I H H 38.94 16.00 17.10 32.79 97.74 39.62 -79.96 -39.09 1.21 0.00 98.78 0.02 0.04 1.17 98.70 0.07 0.00 0.00 0.00 44 F H H 27.85 18.90 14.52 33.41 102.98 25.65 -108.72 -0.49 11.37 0.04 88.60 0.68 1.54 8.69 88.83 0.20 0.02 0.01 0.03 45 N C T 123.30 2.02 21.28 23.07 94.71 -125.18 58.11 42.48 99.61 0.15 0.24 25.64 14.18 59.86 0.09 0.10 0.00 0.09 0.04 46 V C C 21.00 19.15 11.22 30.27 129.59 133.06 -122.37 149.89 94.27 5.67 0.05 76.46 17.58 0.37 0.01 0.04 0.00 5.08 0.46 47 K C C 130.51 2.74 23.83 26.11 113.49 -127.05 -91.10 126.92 85.02 14.96 0.02 83.93 1.06 0.07 0.00 0.01 0.00 14.63 0.29 48 V E E 26.28 22.46 10.42 31.86 112.60 -142.07 -87.18 124.10 19.44 80.52 0.04 20.35 0.28 0.02 0.01 0.02 0.00 78.45 0.86 49 A E E 62.27 4.16 20.48 25.04 97.62 -170.87 -84.27 -36.25 20.18 79.78 0.04 11.38 8.63 0.20 0.00 0.03 0.00 79.65 0.10 50 S E E 52.36 4.65 22.84 28.20 140.15 -1.46 -155.94 153.77 2.91 97.07 0.01 2.29 0.30 0.03 0.00 0.01 0.00 97.35 0.03 51 V E E 38.53 21.95 11.48 32.05 126.08 -164.07 -132.24 132.42 0.96 99.03 0.00 0.87 0.03 0.00 0.00 0.00 0.00 99.09 0.01 52 N E E 71.98 5.33 23.07 28.70 125.23 -173.56 -125.29 140.04 0.92 99.08 0.00 0.76 0.04 0.00 0.00 0.00 0.00 99.19 0.01 53 I E E 61.71 17.14 13.16 29.78 122.98 -159.98 -119.44 131.59 1.08 98.92 0.00 1.00 0.02 0.00 0.00 0.00 0.00 98.96 0.01 54 M E E 77.13 7.14 17.78 26.32 123.67 -172.15 -121.30 138.36 1.10 98.90 0.00 0.99 0.04 0.00 0.00 0.00 0.00 98.93 0.04 55 N E E 85.84 8.65 14.44 24.54 117.76 -148.26 -106.93 127.97 3.56 96.44 0.00 3.07 0.25 0.01 0.00 0.00 0.00 96.53 0.14 56 Y E E 89.04 9.53 12.48 23.66 122.93 -172.15 -118.42 138.99 24.91 75.06 0.03 22.76 1.35 0.09 0.01 0.03 0.00 74.59 1.18 57 K C C 146.42 2.22 15.90 18.92 115.00 -122.92 -85.43 133.45 66.19 33.75 0.05 60.23 3.25 0.26 0.01 0.05 0.00 35.81 0.40 58 P C C 60.58 12.32 8.72 21.22 116.00 -109.59 -68.91 149.20 67.99 31.89 0.12 60.38 4.95 0.60 0.02 0.11 0.00 33.39 0.56 59 K E E 129.46 2.92 14.15 18.38 121.17 -144.23 -109.38 142.42 24.83 75.03 0.14 22.79 1.62 0.24 0.05 0.09 0.00 73.73 1.48 60 K E E 132.75 4.92 9.84 16.98 117.45 -126.88 -92.29 134.99 13.69 86.22 0.09 12.70 0.73 0.12 0.03 0.04 0.00 85.64 0.73 61 K E E 112.25 4.31 10.19 16.65 123.57 -168.85 -120.13 141.86 8.30 91.61 0.09 7.11 0.88 0.20 0.02 0.05 0.00 91.39 0.33 62 R E E 168.11 2.19 8.49 12.75 116.21 -133.80 -96.75 129.32 12.29 87.62 0.10 10.32 1.34 0.28 0.03 0.06 0.00 87.33 0.65 63 M E E 123.22 2.45 7.57 11.94 115.64 -176.43 -123.77 111.04 34.58 65.04 0.38 27.67 5.05 1.61 0.10 0.30 0.00 64.30 0.97 64 G C T 65.92 0.33 10.24 9.15 110.09 -49.29 65.35 -131.28 97.03 2.15 0.81 15.59 27.16 54.27 0.07 0.85 0.00 1.82 0.24 65 R C T 207.49 0.33 9.19 8.41 96.42 -18.87 -88.19 -4.65 96.85 2.23 0.92 15.08 28.20 53.48 0.08 0.99 0.00 1.94 0.24 66 Y E E 143.82 2.93 8.16 13.14 121.58 80.51 -107.26 140.29 29.77 69.90 0.34 21.51 7.83 2.24 0.07 0.31 0.00 66.50 1.54 67 Q E E 121.38 3.53 9.42 15.38 122.97 -164.01 -115.97 143.08 17.49 82.42 0.09 14.54 1.94 0.44 0.02 0.06 0.00 82.45 0.55 68 G E E 32.42 4.29 13.92 19.81 138.35 120.34 -147.46 -176.70 11.05 88.90 0.05 8.61 1.91 0.37 0.01 0.04 0.00 88.78 0.29 69 Y E E 130.28 6.78 11.95 20.50 122.22 -83.57 -109.45 141.88 9.79 90.17 0.04 8.77 0.65 0.09 0.02 0.03 0.00 87.33 3.12 70 T C C 56.93 8.93 12.03 22.45 123.38 -162.21 -111.27 148.49 55.54 44.34 0.13 50.64 3.11 0.38 0.03 0.11 0.00 44.74 1.00 71 N C C 102.26 5.07 15.18 21.47 107.90 -113.28 -82.24 111.81 74.89 24.97 0.14 55.78 15.90 1.42 0.02 0.16 0.00 26.23 0.50 72 K C C 95.66 9.61 14.09 24.46 117.25 144.50 -99.09 134.50 72.65 27.22 0.13 58.82 10.91 1.13 0.01 0.15 0.00 28.40 0.58 73 R E E 95.93 11.01 16.32 28.00 125.12 -161.10 -115.43 144.25 23.06 76.90 0.04 20.74 1.65 0.13 0.01 0.03 0.00 76.31 1.12 74 R E E 59.15 14.78 17.10 32.23 125.61 -160.78 -118.22 141.56 5.21 94.78 0.01 4.79 0.26 0.01 0.00 0.00 0.00 94.74 0.20 75 K E E 69.46 12.33 21.69 34.13 123.48 -149.39 -111.65 140.26 2.68 97.32 0.00 2.22 0.28 0.00 0.00 0.00 0.00 97.45 0.05 76 A E E 7.91 21.50 17.52 39.56 125.05 -163.22 -119.19 139.19 0.95 99.05 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.08 0.02 77 I E E 43.41 10.91 24.81 36.72 117.19 -151.62 -108.23 126.14 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 78 V E E 7.74 23.29 17.75 41.58 121.06 -167.67 -114.45 131.39 0.69 99.31 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.33 0.01 79 T E E 45.80 8.74 25.67 35.05 120.54 -162.08 -110.03 133.76 2.88 97.11 0.00 2.73 0.08 0.00 0.00 0.00 0.00 97.08 0.10 80 L E E 18.01 21.91 12.88 34.62 116.92 -141.24 -92.48 135.92 24.69 75.18 0.13 23.04 1.35 0.16 0.04 0.09 0.00 73.86 1.45 81 K C C 105.27 5.52 18.86 25.04 118.25 -135.01 -87.19 151.63 80.73 18.05 1.22 66.97 10.05 2.56 0.24 1.09 0.00 17.89 1.21 82 E C T 141.49 3.26 15.14 19.93 109.79 -90.11 -67.86 136.30 88.64 7.02 4.33 23.74 25.30 40.16 0.62 3.67 0.00 5.45 1.06 83 G C T 52.63 2.82 15.04 18.65 105.59 25.42 86.45 -5.69 91.21 4.97 3.82 36.20 18.12 37.26 0.52 3.39 0.00 3.65 0.86 84 S C C 53.15 10.38 11.37 22.45 116.88 122.43 -94.63 138.23 90.45 6.92 2.63 79.80 7.42 3.20 0.58 1.98 0.00 5.87 1.15 85 I C C 83.76 9.40 11.74 22.33 117.81 -155.07 -105.43 130.42 88.46 10.03 1.51 81.22 5.07 2.10 0.44 0.96 0.00 8.62 1.59 86 D C C 100.36 4.22 13.70 19.53 112.04 -139.27 -88.21 122.84 84.50 13.64 1.86 76.50 5.03 2.48 0.56 1.19 0.00 12.32 1.93 87 L C C 93.13 8.52 9.47 19.00 107.61 -173.78 -91.46 55.77 86.88 12.08 1.03 84.99 1.17 1.20 0.37 0.44 0.00 9.27 2.55 88 F C C 129.83 5.65 12.43 19.50 111.11 59.56 -94.63 106.75 99.45 0.53 0.02 99.44 0.11 0.04 0.01 0.00 0.00 0.38 0.03