# 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 104.04 6.93 12.93 21.03 116.21 -153.92 -99.84 133.68 99.82 0.16 0.02 99.73 0.11 0.04 0.01 0.00 0.00 0.08 0.02 1 T C C 80.13 5.66 10.46 17.82 116.43 -140.36 -92.30 138.82 87.28 5.13 7.59 82.32 1.57 3.72 5.64 1.58 0.00 2.98 2.19 2 T C C 84.29 5.08 10.28 17.06 110.74 -141.94 -94.59 122.31 76.86 9.47 13.67 54.59 15.40 6.36 10.66 3.72 0.02 5.44 3.80 3 K C C 127.23 4.46 11.63 17.60 105.97 -134.68 -79.08 110.74 70.01 10.05 19.94 49.86 12.55 6.98 14.40 6.22 0.03 6.54 3.42 4 R C C 136.19 5.76 12.00 19.17 100.89 55.50 -76.19 -17.66 61.23 9.75 29.01 39.70 11.10 10.43 17.36 11.74 0.06 6.29 3.33 5 R C C 133.58 5.74 13.78 20.77 105.28 54.92 -81.26 25.16 60.16 8.92 30.92 30.14 13.80 17.59 15.96 13.67 0.17 5.50 3.17 6 N C C 70.75 9.81 12.76 23.49 105.87 51.93 -96.54 62.30 67.56 6.95 25.49 32.54 15.36 21.13 11.62 12.43 0.11 3.77 3.04 7 H C C 104.58 7.10 15.53 23.60 103.80 143.69 -94.94 33.19 80.31 5.52 14.16 37.96 19.22 23.99 5.98 7.32 0.03 2.76 2.74 8 G C C 33.68 9.65 14.15 24.41 104.20 -108.11 79.34 3.18 84.25 4.71 11.04 34.85 23.05 27.23 2.36 8.09 0.01 2.44 1.97 9 R C C 130.98 6.65 15.76 23.23 102.23 99.16 -86.89 6.07 78.05 11.37 10.57 40.77 20.93 17.12 2.53 7.65 0.04 6.02 4.93 10 S C C 56.87 7.92 13.48 22.54 108.30 68.97 -89.98 80.09 77.34 14.62 8.04 49.46 18.31 9.42 2.41 5.55 0.05 7.34 7.46 11 K C C 99.86 7.23 12.18 20.92 118.44 -120.52 -99.82 135.96 88.18 9.70 2.12 64.15 21.44 2.30 0.99 1.12 0.00 4.77 5.23 12 P C C 69.23 5.60 11.83 19.24 113.81 -105.81 -66.72 150.70 87.65 3.69 8.67 63.87 10.16 12.68 1.82 7.61 0.00 2.20 1.66 13 A C T 83.52 3.31 10.95 15.69 96.69 -103.75 -65.15 -27.17 82.76 2.91 14.34 29.68 17.34 35.52 1.89 12.70 0.01 1.49 1.38 14 H C T 155.10 1.40 11.32 13.18 101.49 43.62 -91.16 8.70 81.45 3.41 15.13 21.45 21.71 38.23 1.92 13.31 0.01 1.73 1.64 15 S C C 59.90 6.17 8.67 16.47 116.63 88.05 -98.46 137.68 84.93 4.24 10.83 34.57 27.10 22.85 1.36 9.87 0.00 1.98 2.27 16 R C C 167.19 2.72 11.40 15.59 105.34 -134.18 -82.14 47.48 84.90 6.00 9.09 34.05 20.87 30.17 1.41 7.67 0.01 2.80 3.02 17 G C T 45.00 5.56 12.39 19.18 107.81 -10.96 74.94 -32.78 86.99 5.45 7.57 27.83 26.51 32.76 0.91 6.94 0.01 2.87 2.17 18 R C C 133.73 5.91 13.79 20.95 110.59 53.07 -90.53 114.05 82.15 12.92 4.94 40.25 28.44 13.52 0.95 4.23 0.01 6.33 6.27 19 V C C 59.59 12.32 12.56 25.44 117.42 -148.26 -97.77 133.36 79.01 19.81 1.18 58.91 16.94 2.44 0.41 0.84 0.00 9.13 11.33 20 K C C 113.40 6.02 18.92 25.97 119.47 -147.02 -101.27 138.31 89.96 9.97 0.07 81.61 8.44 0.24 0.02 0.05 0.00 8.39 1.24 21 P C C 52.96 13.22 17.43 30.77 116.18 -104.47 -68.15 148.15 84.31 15.65 0.04 81.59 2.71 0.12 0.00 0.03 0.00 14.52 1.03 22 I E E 22.66 18.36 17.21 35.90 121.33 -147.71 -111.46 134.18 18.44 81.54 0.02 17.00 1.23 0.03 0.01 0.01 0.00 78.93 2.79 23 H E E 87.65 8.68 23.17 32.28 117.02 -135.45 -97.39 130.45 3.36 96.63 0.01 3.46 0.10 0.00 0.01 0.00 0.00 76.25 20.18 24 C C C 8.38 21.30 13.06 35.24 109.06 -121.43 -74.22 123.49 67.03 32.91 0.06 68.71 0.53 0.05 0.02 0.03 0.00 28.18 2.48 25 F C T 104.16 8.19 19.85 29.16 93.82 -155.45 -72.04 -24.80 99.43 0.29 0.28 0.43 4.63 94.39 0.01 0.29 0.00 0.21 0.05 26 N C T 86.39 7.47 18.86 26.81 100.67 42.72 -86.72 -39.46 99.56 0.12 0.32 0.10 2.51 97.01 0.01 0.29 0.00 0.06 0.02 27 C C T 53.71 8.03 17.27 26.43 103.24 17.27 -111.14 -14.12 99.71 0.08 0.21 0.57 4.15 94.98 0.00 0.23 0.00 0.05 0.02 28 G C C 29.55 11.14 16.01 28.04 95.34 -124.80 77.36 8.61 99.22 0.63 0.14 83.72 7.83 7.65 0.03 0.12 0.00 0.37 0.27 29 R C C 101.03 7.13 20.99 29.18 120.33 137.40 -80.07 147.94 85.35 14.63 0.03 82.08 4.10 0.10 0.01 0.02 0.00 11.61 2.10 30 L E E 60.49 14.92 18.97 33.63 115.23 -115.23 -81.59 134.17 1.89 98.10 0.01 1.67 0.18 0.01 0.01 0.00 0.00 72.89 25.25 31 T E E 13.62 18.04 16.41 35.05 133.62 -173.99 -133.75 153.17 29.64 70.35 0.00 28.36 1.04 0.01 0.00 0.00 0.00 69.71 0.87 32 P C C 49.92 6.31 21.49 28.77 113.94 -95.44 -64.02 143.79 56.83 43.13 0.04 58.01 0.84 0.04 0.01 0.02 0.00 39.18 1.90 33 K H G 87.47 15.34 13.02 28.03 91.38 -118.73 -57.53 -36.18 18.09 0.24 81.67 0.98 1.91 14.62 6.21 76.07 0.00 0.17 0.05 34 D H G 116.77 1.66 19.83 21.15 90.26 60.97 -68.83 -18.52 18.64 0.19 81.17 0.52 1.35 16.82 7.63 73.51 0.00 0.12 0.04 35 K H G 102.72 8.02 18.15 26.89 96.03 51.89 -95.36 -4.78 16.17 0.53 83.30 1.70 2.40 12.09 10.43 72.92 0.00 0.38 0.10 36 A C C 13.63 22.04 12.25 33.33 110.50 90.25 -83.65 130.71 55.24 31.71 13.04 39.35 12.21 4.08 8.00 5.32 0.11 26.40 4.54 37 V E E 54.81 11.78 18.35 30.62 119.10 -148.55 -105.82 129.84 20.00 78.50 1.50 15.79 3.60 1.06 1.20 0.65 0.02 73.57 4.10 38 G E E 35.06 9.84 17.61 27.81 117.55 -154.09 -90.78 147.49 17.95 80.94 1.11 13.29 3.87 1.03 0.52 0.49 0.00 80.31 0.49 39 R E E 129.16 6.90 16.81 25.00 125.88 -131.24 -125.48 139.34 14.68 83.81 1.51 11.69 2.22 0.64 0.91 0.53 0.00 83.57 0.44 40 F E E 90.38 11.77 12.79 25.28 123.92 -162.33 -117.90 137.88 10.12 89.18 0.70 9.25 0.57 0.17 0.55 0.20 0.00 88.68 0.58 41 V E E 76.93 6.43 15.51 23.52 118.25 -155.54 -110.04 128.64 10.34 89.02 0.64 9.49 0.55 0.16 0.53 0.17 0.00 88.47 0.63 42 V E E 73.94 8.98 12.11 22.59 117.54 -155.27 -102.03 129.70 20.22 77.34 2.45 17.99 1.39 0.56 1.71 0.69 0.00 76.83 0.82 43 R C E 130.27 5.24 12.65 19.66 118.19 -156.82 -102.47 136.36 45.58 45.46 8.95 33.93 8.05 3.01 6.63 2.46 0.03 44.41 1.48 44 R C C 146.62 4.35 11.78 17.74 110.42 -131.29 -88.84 118.28 65.32 22.94 11.74 52.28 8.03 3.52 9.50 2.76 0.01 22.06 1.84 45 M H H 112.44 4.65 11.21 17.33 102.03 -155.51 -79.13 -19.21 38.79 8.04 53.17 25.97 6.96 6.97 45.65 6.50 0.08 6.58 1.29 46 L H H 107.41 3.25 12.35 16.57 102.37 58.87 -78.48 -32.20 31.91 5.12 62.96 18.44 7.02 8.44 54.45 6.63 0.12 3.88 1.01 47 D H H 81.43 4.54 13.05 18.84 102.60 53.21 -78.70 -26.46 29.53 2.03 68.44 20.23 4.70 6.25 61.00 5.99 0.02 1.36 0.44 48 A H H 57.57 4.73 13.15 19.41 94.80 65.09 -66.24 -38.97 9.94 0.28 89.78 5.99 1.77 3.11 86.58 2.31 0.01 0.16 0.07 49 A H H 59.25 2.58 15.76 18.57 93.14 52.27 -65.50 -40.34 5.43 0.16 94.41 2.54 0.89 2.43 92.31 1.69 0.01 0.10 0.04 50 S H H 47.12 4.88 15.01 21.29 92.59 51.26 -65.55 -40.18 4.85 0.21 94.94 2.38 0.74 2.15 93.01 1.52 0.01 0.14 0.05 51 A H H 44.60 6.96 14.22 22.75 92.32 51.38 -64.83 -40.83 2.29 0.12 97.59 1.04 0.37 1.02 96.78 0.70 0.01 0.07 0.02 52 R H H 133.38 2.62 17.10 19.98 92.20 51.01 -65.00 -40.60 1.65 0.08 98.26 0.66 0.21 0.79 97.81 0.47 0.00 0.05 0.01 53 D H H 79.28 2.85 17.00 19.99 92.42 50.21 -65.53 -40.23 2.13 0.10 97.77 0.79 0.25 1.12 97.21 0.54 0.01 0.06 0.02 54 V H H 61.09 7.42 14.36 23.16 92.60 50.27 -65.95 -40.10 2.08 0.05 97.87 0.58 0.22 1.24 97.24 0.68 0.01 0.03 0.01 55 A H H 52.68 7.39 14.20 22.89 92.79 52.86 -66.25 -36.96 4.61 0.05 95.34 0.80 0.40 3.29 94.41 1.05 0.02 0.02 0.02 56 E H H 137.77 1.66 16.61 17.90 93.94 51.15 -72.28 -25.98 16.77 0.11 83.13 1.22 1.20 14.19 81.96 1.26 0.06 0.04 0.06 57 A H H 63.12 4.97 13.39 19.47 97.49 54.20 -87.20 -9.35 42.06 1.01 56.93 7.18 8.03 27.63 54.27 1.74 0.19 0.35 0.63 58 S C C 39.22 9.71 9.37 20.47 115.70 114.02 -94.52 131.11 82.05 6.40 11.54 54.96 20.18 6.21 8.55 3.28 0.01 2.32 4.49 59 P C T 93.85 3.66 12.50 17.71 96.21 -145.80 -68.03 -22.11 69.26 3.18 27.57 24.34 15.35 30.63 13.26 13.16 0.05 1.67 1.54 60 V C T 98.71 3.61 12.00 16.86 97.90 57.55 -78.17 -25.88 66.96 4.53 28.51 14.07 15.46 37.85 13.31 14.24 0.20 2.50 2.36 61 Y C T 140.89 4.61 11.33 17.28 102.13 38.84 -94.83 2.24 71.23 4.33 24.44 18.42 17.74 36.06 10.54 12.48 0.19 2.19 2.38 62 G C C 45.95 4.61 11.63 17.64 105.30 -90.99 74.42 6.58 86.28 2.75 10.96 36.30 20.00 30.60 3.39 7.01 0.01 1.34 1.36 63 A C C 73.88 4.13 11.08 16.90 105.20 104.96 -82.75 22.45 87.26 3.38 9.36 32.50 23.93 31.39 1.73 7.33 0.00 1.78 1.33 64 N C C 124.84 1.88 13.79 16.34 103.20 53.26 -88.46 20.07 87.94 5.84 6.22 39.76 22.65 25.95 0.94 5.54 0.00 3.62 1.54 65 F C C 79.04 11.41 9.06 21.14 117.63 116.93 -101.39 130.92 86.52 12.18 1.30 58.51 26.05 2.42 0.40 1.03 0.00 8.05 3.55 66 P C C 89.08 4.16 16.10 21.28 108.08 -142.41 -82.63 131.20 79.83 19.30 0.87 67.06 10.73 1.51 0.31 0.63 0.00 11.73 8.03 67 M C C 77.05 12.79 11.53 24.64 118.88 -133.26 -99.07 133.39 82.34 16.85 0.81 64.95 16.27 1.14 0.31 0.58 0.00 11.03 5.73 68 P C C 60.60 8.72 14.20 24.34 112.83 -108.83 -67.31 148.62 88.80 9.06 2.14 69.86 13.37 5.34 0.40 1.91 0.00 7.78 1.34 69 R C S 146.63 5.93 15.30 22.55 101.89 -126.65 -79.12 12.35 81.91 14.66 3.44 29.61 43.98 8.82 0.61 2.60 0.01 12.93 1.46 70 L E E 72.16 9.49 15.11 25.60 121.30 59.17 -107.72 136.37 47.68 49.50 2.82 33.99 11.12 3.87 0.59 2.17 0.00 47.00 1.25 71 Y E E 84.53 12.70 15.37 28.58 128.17 -173.65 -126.21 145.04 15.85 83.56 0.59 13.92 1.81 0.44 0.22 0.30 0.00 82.66 0.65 72 M E E 57.73 12.83 17.47 31.04 123.58 -158.89 -118.20 135.74 4.09 95.72 0.19 3.58 0.38 0.10 0.11 0.06 0.00 95.61 0.17 73 K E E 81.78 12.22 19.39 31.79 120.68 -151.62 -108.14 131.86 2.84 96.98 0.17 2.52 0.17 0.06 0.10 0.04 0.00 97.01 0.09 74 Q E E 39.15 16.55 18.49 35.00 122.25 -163.16 -112.84 135.09 6.10 93.56 0.34 5.40 0.39 0.11 0.23 0.09 0.00 93.62 0.16 75 R E E 75.28 13.72 22.05 35.46 121.70 -160.81 -112.20 133.23 9.65 89.60 0.75 8.21 1.03 0.31 0.51 0.25 0.00 89.26 0.43 76 F E E 28.27 19.07 20.18 38.72 126.71 -166.73 -119.16 141.02 22.72 76.08 1.19 20.48 1.62 0.37 0.92 0.36 0.00 75.04 1.20 77 C C C 21.01 16.07 22.62 38.60 113.57 -124.86 -87.28 128.38 54.94 41.88 3.19 52.28 1.75 0.63 2.45 0.79 0.00 39.86 2.24 78 I H H 36.29 18.52 20.74 38.77 94.55 -144.11 -67.31 -33.25 23.50 3.57 72.93 9.20 4.69 10.74 60.45 10.73 0.22 3.45 0.52 79 A H H 39.50 9.22 22.72 32.67 91.60 59.13 -63.85 -39.39 16.27 3.44 80.29 6.04 2.83 7.87 65.65 13.55 0.16 3.46 0.45 80 C H H 27.63 11.55 20.42 33.05 92.00 52.58 -66.50 -37.30 10.23 2.92 86.85 4.81 1.91 4.09 70.35 15.54 0.06 2.94 0.30 81 A H H 10.70 17.38 16.38 34.50 92.31 54.01 -64.86 -40.09 9.40 6.73 83.87 5.22 1.64 3.49 73.69 8.74 0.09 6.57 0.58 82 I H H 66.20 10.20 17.50 28.22 92.55 51.24 -65.62 -41.33 9.74 9.99 80.27 4.57 1.69 4.49 72.89 6.12 0.19 9.10 0.94 83 H H H 117.83 4.87 17.59 23.13 92.48 50.44 -68.64 -32.99 17.80 4.83 77.38 4.32 2.55 11.67 70.50 5.45 0.55 4.02 0.95 84 S C T 50.25 7.45 14.09 23.07 94.70 48.19 -89.33 -1.84 66.08 0.66 33.26 4.50 6.15 53.38 31.74 3.47 0.06 0.34 0.34 85 R C T 163.84 4.12 15.92 21.60 93.62 -124.29 61.66 30.32 85.59 1.53 12.88 7.40 10.14 66.71 11.87 2.27 0.04 0.91 0.67 86 T C S 57.40 9.09 15.67 25.88 100.02 128.03 -89.99 -12.89 69.20 15.41 15.40 24.41 27.67 18.14 11.16 4.36 0.56 9.26 4.45 87 V C S 45.25 15.87 12.46 27.92 122.80 62.14 -111.60 142.49 71.31 15.06 13.63 25.92 32.14 14.37 8.87 4.78 0.21 10.18 3.53 88 R C C 133.56 5.75 18.01 24.79 117.79 -152.67 -104.80 128.92 73.70 15.72 10.58 44.94 19.41 9.65 6.75 4.28 0.05 11.21 3.71 89 A C C 61.72 10.00 13.96 24.72 113.01 -135.24 -86.07 131.33 86.21 8.89 4.91 67.54 14.50 3.92 3.41 1.84 0.00 6.38 2.40 90 R C C 95.25 8.91 11.42 21.76 123.37 -140.89 -103.36 150.12 94.97 3.40 1.63 78.12 15.64 1.23 1.20 0.49 0.00 2.02 1.29 91 P C C 74.39 3.23 14.36 18.55 113.96 -100.76 -65.21 149.20 93.55 2.46 3.99 87.68 3.99 1.99 2.88 0.95 0.00 1.25 1.27 92 V H H 94.33 6.18 10.28 18.09 92.56 -114.10 -60.24 -35.40 41.73 0.97 57.31 14.05 9.29 19.27 38.94 17.32 0.09 0.44 0.59 93 G H H 51.77 1.37 13.59 14.74 93.18 55.70 -64.11 -35.68 39.21 0.59 60.21 7.98 7.71 22.63 41.00 19.94 0.12 0.29 0.33 94 N H H 85.25 3.99 12.30 17.64 94.64 51.21 -74.98 -24.89 34.19 0.98 64.83 13.25 6.94 13.81 43.95 21.07 0.06 0.50 0.42 95 R H H 93.45 10.19 9.65 20.52 94.81 68.92 -68.06 -30.42 37.17 1.65 61.17 20.55 7.27 10.73 47.11 12.76 0.05 0.85 0.69 96 K H H 130.80 2.90 13.82 17.67 94.49 62.49 -69.35 -29.10 45.42 3.09 51.48 24.15 9.79 13.35 39.61 10.13 0.09 1.68 1.21 97 I C H 102.95 3.50 13.07 17.51 97.44 56.36 -80.63 -19.69 53.67 4.03 42.31 31.14 11.14 12.72 33.84 7.32 0.07 2.11 1.65 98 R C C 119.45 7.47 10.79 19.40 101.11 78.07 -79.40 -4.85 66.51 5.08 28.42 44.98 12.03 9.33 24.14 4.58 0.03 2.57 2.35 99 Y C C 143.37 4.59 11.51 17.49 102.30 68.63 -88.74 1.68 77.43 4.48 18.09 52.66 17.21 7.17 15.11 3.48 0.01 2.25 2.11 100 T C C 89.52 3.92 10.55 16.12 103.40 61.65 -84.39 3.26 84.96 3.12 11.92 64.59 12.22 7.82 8.84 3.27 0.00 1.71 1.55 101 K C C 133.70 3.61 10.00 15.45 111.17 77.95 -83.79 126.07 92.06 2.00 5.94 70.09 14.53 7.35 3.69 2.20 0.00 1.03 1.10 102 K C C 148.90 2.68 10.65 15.16 112.63 -121.93 -87.50 127.26 96.18 1.85 1.98 77.42 15.39 3.23 1.05 0.87 0.00 0.85 1.19 103 V C C 88.58 5.93 8.84 16.64 116.71 -138.24 -96.11 133.42 97.87 1.28 0.85 81.54 14.84 1.57 0.34 0.46 0.00 0.63 0.63 104 P C C 98.08 3.01 11.45 16.08 111.16 -112.23 -71.19 136.69 96.92 1.44 1.64 82.46 9.34 5.09 0.41 1.19 0.00 0.79 0.72 105 F C C 129.39 5.96 8.74 16.31 114.16 -145.75 -98.75 132.20 94.47 3.67 1.85 71.60 18.20 4.15 0.60 1.22 0.00 1.55 2.68 106 R C C 148.12 3.40 9.63 14.95 116.63 -140.33 -100.67 129.34 97.71 1.82 0.47 76.57 20.16 0.93 0.19 0.24 0.00 0.80 1.12 107 P C C 93.02 3.49 9.03 14.43 109.88 -112.27 -65.67 146.57 90.40 1.56 8.05 68.55 7.60 13.15 1.34 7.72 0.00 0.85 0.80 108 A C T 88.97 2.03 8.56 12.17 105.45 -108.15 -75.07 104.93 87.01 1.53 11.46 26.31 16.94 43.33 1.35 10.57 0.00 0.77 0.73 109 G C T 57.21 1.95 8.42 11.80 105.88 19.47 68.10 7.66 84.58 2.63 12.80 30.99 17.92 35.48 1.44 11.74 0.00 1.42 1.01 110 K C C 144.49 2.73 7.47 12.11 111.83 118.17 -85.77 128.82 89.62 3.53 6.86 81.61 3.01 5.56 1.57 4.65 0.00 2.01 1.58 111 K C C 154.81 2.17 10.05 13.94 112.13 -142.30 -91.47 127.08 99.64 0.31 0.04 99.52 0.17 0.08 0.01 0.01 0.00 0.16 0.05