# 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 107.79 7.15 11.77 20.09 109.89 -161.85 -89.41 109.44 99.79 0.16 0.05 99.49 0.24 0.13 0.02 0.01 0.00 0.08 0.03 1 G C C 48.35 4.10 10.06 15.84 117.04 -155.40 -103.51 169.69 95.05 3.07 1.88 89.59 1.48 4.41 0.73 0.71 0.00 1.74 1.34 2 N C C 124.42 1.99 9.13 12.55 110.22 -98.97 -89.11 117.70 89.19 5.68 5.14 63.62 15.79 9.65 1.93 3.11 0.00 3.23 2.66 3 K C C 146.70 2.65 8.37 12.89 113.13 -156.53 -92.97 129.93 83.77 8.00 8.23 58.66 16.61 8.41 3.58 4.64 0.01 4.98 3.11 4 Q C C 127.99 3.02 8.32 13.23 113.21 -148.27 -91.75 128.33 81.22 10.42 8.36 63.87 11.53 5.35 4.39 4.11 0.00 6.77 3.98 5 V C C 106.63 3.33 8.41 13.61 113.54 -154.79 -94.69 134.62 83.27 10.06 6.68 71.18 8.02 3.47 4.28 2.53 0.00 6.41 4.12 6 K C C 145.62 2.71 9.44 13.86 112.89 -132.56 -88.40 135.42 87.31 6.56 6.13 70.20 13.41 3.22 4.40 1.96 0.00 3.54 3.27 7 A C C 71.37 4.26 9.11 15.20 114.61 -111.92 -82.44 141.33 93.30 2.11 4.59 77.14 14.26 1.93 3.53 1.12 0.00 1.10 0.94 8 P C C 90.96 4.28 9.51 15.55 109.49 -107.23 -70.46 146.94 83.15 2.40 14.45 73.51 4.77 5.58 8.86 4.85 0.00 1.46 0.97 9 E C C 132.79 3.12 10.18 14.92 108.48 -120.18 -82.77 118.69 78.43 5.13 16.43 62.67 8.01 7.45 9.82 6.62 0.00 2.88 2.54 10 A C C 69.43 5.25 8.50 15.38 109.79 -119.68 -85.76 125.82 80.45 4.96 14.59 59.96 11.01 9.14 7.88 6.80 0.00 2.77 2.43 11 R C C 166.41 2.70 9.88 14.09 106.07 -139.17 -85.80 72.41 86.28 3.10 10.62 52.80 16.37 17.47 5.20 5.02 0.00 1.68 1.45 12 N C C 123.46 2.19 10.12 13.55 107.54 53.19 -89.59 68.89 92.32 1.99 5.69 45.42 29.67 17.67 2.21 3.12 0.00 0.96 0.95 13 S C C 64.90 4.97 9.19 15.97 118.45 134.76 -96.46 141.26 95.32 2.39 2.29 52.75 39.86 3.04 1.27 0.91 0.00 1.13 1.02 14 P C C 97.77 3.24 11.66 16.34 111.03 -102.76 -69.53 146.05 88.09 4.43 7.48 72.25 9.66 6.06 3.91 3.51 0.00 2.75 1.85 15 R C C 142.55 6.30 10.51 18.13 109.67 -118.31 -81.67 129.22 67.23 11.34 21.44 51.55 7.96 7.29 9.00 12.70 0.01 7.31 4.18 16 A C C 62.76 7.48 10.54 19.16 110.78 -129.09 -85.18 135.05 61.19 11.15 27.65 40.99 10.98 9.98 8.15 19.29 0.03 8.45 2.13 17 S C C 80.42 3.55 13.38 18.18 107.44 -134.44 -89.16 93.23 57.72 15.60 26.68 36.20 11.95 10.86 7.56 18.63 0.06 12.18 2.57 18 L C C 91.55 8.50 11.61 20.98 107.22 98.66 -90.11 64.02 64.55 18.65 16.79 41.24 16.40 7.25 7.75 9.33 0.12 12.64 5.27 19 I C C 80.97 8.75 12.26 22.24 115.99 77.69 -102.52 123.82 83.91 10.70 5.39 61.39 19.90 2.47 4.01 1.78 0.01 7.23 3.21 20 P C C 75.69 7.64 13.16 22.15 110.35 -118.66 -67.39 142.68 79.87 5.77 14.36 59.73 9.24 10.71 8.32 6.17 0.01 4.29 1.54 21 D C C 85.25 5.61 14.27 21.08 110.31 -126.51 -91.07 111.65 78.71 3.65 17.64 59.81 7.57 11.19 9.48 8.14 0.00 2.19 1.61 22 A H G 56.86 11.01 11.15 22.65 96.10 -160.85 -73.19 -13.17 41.62 2.66 55.72 22.08 7.90 12.63 17.85 37.09 0.02 1.60 0.83 23 T H G 93.34 3.85 14.79 19.85 95.33 73.48 -75.04 -16.77 39.23 2.96 57.81 12.09 7.95 19.77 18.38 38.97 0.09 1.85 0.90 24 H H G 115.51 5.84 14.60 21.59 98.44 57.49 -89.73 1.71 40.70 4.11 55.20 13.81 8.92 19.48 17.06 36.76 0.14 2.53 1.31 25 L C C 60.07 13.87 11.89 25.59 104.35 89.73 -88.87 12.48 62.95 6.42 30.62 31.10 19.51 13.38 15.29 13.94 0.19 2.73 3.85 26 G C C 30.74 8.31 16.35 25.34 121.50 -126.30 78.00 -168.52 64.71 3.69 31.61 30.89 14.65 19.36 4.09 27.48 0.03 1.86 1.64 27 P C T 86.64 6.32 17.73 24.84 99.29 -10.73 -72.61 5.07 65.41 2.19 32.39 12.49 14.61 38.45 3.37 28.85 0.02 1.27 0.94 28 Q C T 77.34 12.24 17.65 29.72 100.38 63.07 -93.05 1.80 58.64 7.87 33.50 19.15 13.13 28.96 3.94 27.56 0.06 5.19 2.02 29 F C C 64.04 14.19 19.12 33.44 123.98 91.48 -110.40 139.73 67.94 26.75 5.31 44.16 18.76 3.48 2.54 2.88 0.05 10.01 18.11 30 C C C 12.26 19.80 15.51 35.81 110.70 -117.27 -78.98 126.53 86.86 12.33 0.81 79.39 6.06 0.92 0.41 0.39 0.00 5.82 7.01 31 K C T 104.30 8.19 21.25 30.53 92.82 -142.02 -65.12 -29.47 61.05 2.61 36.33 7.12 11.91 41.95 6.59 29.11 0.14 1.51 1.66 32 S C T 36.95 13.92 19.33 32.99 93.96 55.64 -71.54 -32.92 56.98 0.62 42.40 1.11 4.11 52.78 5.71 35.47 0.04 0.37 0.41 33 C C T 29.21 15.54 17.55 33.36 100.10 28.74 -100.24 -7.72 57.44 0.93 41.63 2.10 4.69 50.89 6.35 34.84 0.03 0.58 0.53 34 W C C 105.24 12.81 18.91 31.30 98.46 -122.05 65.77 24.20 53.12 18.03 28.85 26.18 11.16 16.06 14.38 13.01 1.28 8.05 9.87 35 A C C 39.10 10.70 15.28 27.06 119.19 142.96 -88.23 151.74 69.80 14.34 15.87 42.66 13.49 13.43 8.71 7.25 0.10 8.46 5.91 36 E C C 122.43 6.04 16.38 23.57 109.35 -125.98 -84.92 120.78 75.74 10.53 13.72 35.68 21.30 20.42 5.72 7.21 0.09 6.72 2.86 37 N C C 88.45 8.07 15.75 24.57 111.88 86.59 -99.54 106.51 84.72 6.99 8.29 46.01 19.62 19.78 2.38 5.73 0.01 4.80 1.68 38 K C C 117.76 8.41 16.41 25.68 113.84 -151.06 -90.58 129.17 85.18 10.66 4.16 40.72 25.29 20.10 0.89 3.25 0.01 7.80 1.96 39 G C C 25.32 10.45 18.11 29.12 118.11 28.49 106.68 -175.94 72.42 25.99 1.59 32.54 26.27 14.80 0.22 1.44 0.00 23.32 1.40 40 L E E 59.51 13.62 18.54 32.13 123.40 -47.32 -109.51 141.24 30.63 68.64 0.73 25.84 4.08 0.89 0.25 0.51 0.00 65.39 3.03 41 V E E 20.58 18.51 15.95 34.76 123.16 -157.64 -114.06 137.22 11.73 87.68 0.59 9.67 1.95 0.61 0.26 0.34 0.00 85.10 2.06 42 E E E 107.41 6.98 21.02 28.77 113.21 -137.30 -94.70 126.20 16.31 82.94 0.74 12.33 3.24 1.46 0.21 0.50 0.00 81.26 0.99 43 C E E 27.72 17.56 13.14 30.22 118.62 175.63 -123.18 117.14 43.34 54.37 2.29 19.21 11.83 14.87 0.33 1.90 0.01 50.52 1.34 44 N C T 86.58 8.51 17.69 26.47 99.03 -30.77 57.09 -11.11 95.91 2.61 1.49 8.24 21.98 65.68 0.14 1.46 0.00 2.12 0.38 45 N C T 109.85 5.09 19.01 24.96 96.95 -38.69 -38.10 9.74 96.58 2.08 1.34 8.35 28.37 59.94 0.11 1.32 0.00 1.59 0.31 46 H E E 38.42 16.76 16.05 33.10 125.99 104.61 -110.60 145.39 34.49 65.10 0.41 21.93 11.29 2.91 0.09 0.35 0.00 62.15 1.27 47 Y E E 61.41 14.05 23.22 37.45 120.19 -145.80 -109.10 131.93 12.62 87.26 0.12 10.70 1.52 0.25 0.05 0.07 0.00 86.39 1.02 48 L E E 6.71 22.50 20.78 43.36 132.37 -174.58 -128.54 151.48 9.06 90.87 0.07 8.38 0.64 0.06 0.04 0.03 0.00 89.30 1.54 49 C E E 12.10 16.26 22.56 39.74 115.59 -107.35 -69.95 146.56 31.07 68.75 0.18 31.16 0.87 0.07 0.14 0.06 0.00 64.35 3.34 50 L H H 47.74 15.92 20.31 36.24 91.75 -117.09 -58.38 -38.42 1.75 0.06 98.19 0.33 0.32 1.16 97.19 0.95 0.01 0.04 0.01 51 N H H 85.69 4.52 25.43 30.23 91.70 54.35 -64.03 -39.80 0.56 0.03 99.41 0.06 0.09 0.44 98.35 1.04 0.01 0.02 0.00 52 C H H 12.06 17.21 20.40 37.95 91.83 48.93 -65.13 -42.58 0.23 0.02 99.74 0.03 0.03 0.18 98.70 1.04 0.00 0.02 0.00 53 L H H 5.49 24.72 17.87 42.38 91.47 50.60 -63.78 -42.89 0.27 0.07 99.66 0.04 0.05 0.21 98.98 0.64 0.00 0.07 0.01 54 T H H 61.20 8.91 21.98 31.11 91.53 50.90 -63.33 -41.51 0.97 0.14 98.89 0.16 0.11 0.82 97.90 0.84 0.02 0.12 0.02 55 L H H 80.35 5.03 22.28 27.38 92.12 49.83 -65.18 -41.38 2.44 0.08 97.48 0.26 0.17 2.19 96.19 1.08 0.02 0.06 0.02 56 L H H 22.68 17.93 16.91 34.80 92.51 49.24 -67.29 -38.56 6.78 0.11 93.11 0.63 0.49 5.78 91.50 1.40 0.07 0.06 0.07 57 L H H 45.62 16.50 14.87 30.95 93.17 56.17 -70.51 -23.74 27.82 0.50 71.68 2.85 2.54 22.47 69.10 2.29 0.22 0.20 0.33 58 G C T 52.81 2.86 18.49 21.69 96.23 59.21 -73.04 -20.13 56.88 0.83 42.28 7.24 6.11 41.98 41.25 2.55 0.06 0.36 0.44 59 V C T 98.87 3.41 16.77 20.82 102.75 38.17 -100.12 -25.24 66.37 2.73 30.90 16.81 20.97 29.45 27.23 2.84 0.13 1.02 1.56 60 S C C 36.27 9.01 16.12 26.64 138.17 10.66 -147.20 159.18 89.97 4.46 5.57 55.70 23.86 10.76 3.69 1.84 0.00 2.19 1.95 61 S C C 58.17 10.77 16.89 28.47 100.40 -140.90 -97.96 8.67 93.37 5.67 0.95 59.27 29.24 5.03 0.27 0.68 0.00 4.67 0.85 62 R E B 101.54 7.17 21.62 29.88 128.86 88.07 -115.94 148.22 12.54 87.32 0.14 8.40 1.24 0.06 0.09 0.02 0.00 7.69 82.49 63 C C C 7.58 21.28 12.99 35.12 109.68 -110.22 -70.26 129.05 95.91 4.04 0.05 95.96 0.70 0.08 0.02 0.02 0.00 1.96 1.27 64 P C T 54.44 9.35 19.34 30.34 92.33 -140.96 -67.19 -22.62 99.80 0.10 0.11 0.39 3.44 96.00 0.00 0.09 0.00 0.06 0.02 65 I C T 73.87 10.77 17.36 28.32 100.31 43.97 -84.39 -41.50 99.81 0.08 0.11 0.07 1.94 97.87 0.00 0.07 0.00 0.04 0.02 66 C C T 60.51 6.34 15.61 23.37 100.49 20.17 -105.62 -11.00 99.78 0.11 0.11 0.39 3.20 96.24 0.00 0.08 0.00 0.06 0.02 67 K C C 135.67 5.20 14.78 21.91 93.91 -127.27 65.18 22.63 99.03 0.87 0.10 81.50 10.89 6.58 0.03 0.08 0.00 0.44 0.48 68 M C C 86.86 5.53 15.93 23.09 119.79 141.66 -85.62 145.95 94.08 5.88 0.04 76.88 17.70 0.19 0.01 0.03 0.00 3.55 1.64 69 P E B 87.52 5.33 18.75 25.13 114.50 -101.30 -65.27 143.52 6.32 93.64 0.03 4.95 0.19 0.00 0.03 0.00 0.00 9.49 85.33 70 L C C 20.35 22.36 10.11 31.60 114.69 -117.93 -80.85 137.43 94.64 5.30 0.06 93.35 1.71 0.11 0.01 0.04 0.00 4.20 0.59 71 P C C 78.61 5.23 20.64 26.15 109.67 -111.14 -69.08 136.68 95.01 4.76 0.23 82.87 11.25 0.97 0.04 0.22 0.00 4.05 0.60 72 T C C 61.87 13.06 14.55 27.47 122.56 -137.44 -112.68 136.31 57.16 42.45 0.39 47.75 8.49 1.07 0.08 0.38 0.00 39.69 2.53 73 R E E 123.27 7.62 17.02 25.75 118.09 -159.37 -111.20 125.75 25.78 73.97 0.24 22.90 2.34 0.33 0.09 0.17 0.00 68.62 5.56 74 L E E 58.05 14.95 12.58 27.50 118.94 -162.35 -106.05 130.41 28.20 71.64 0.16 26.00 1.55 0.18 0.08 0.10 0.00 65.96 6.13 75 R C C 142.94 4.43 17.50 23.48 119.19 -164.29 -114.09 128.54 71.93 27.86 0.21 67.68 2.98 0.33 0.06 0.15 0.00 27.44 1.37 76 P C C 61.24 12.60 10.80 23.60 114.44 -117.36 -69.70 148.40 77.53 13.47 9.00 61.49 7.69 7.35 1.40 8.35 0.00 12.19 1.53 77 S C C 78.79 3.98 13.73 19.11 103.14 -123.05 -79.76 5.65 85.14 4.95 9.91 45.69 22.72 16.33 1.27 9.49 0.00 3.03 1.46 78 A C C 80.18 3.13 13.75 18.03 117.65 11.05 -102.33 138.83 83.92 5.89 10.19 41.47 28.89 13.54 1.81 8.51 0.01 2.91 2.86 79 A C C 61.48 8.23 10.98 20.52 115.68 -110.51 -85.08 137.50 95.81 2.72 1.48 67.88 26.05 1.95 0.49 0.95 0.00 1.35 1.32 80 P C C 75.04 8.65 11.30 21.11 110.65 -108.12 -68.01 146.58 95.67 1.93 2.41 69.24 12.99 13.19 0.52 2.08 0.00 1.09 0.90 81 T C C 103.69 2.97 14.95 18.77 103.86 -142.42 -93.94 6.60 92.08 5.69 2.23 58.74 22.38 10.33 0.60 1.70 0.00 2.19 4.07 82 A C C 54.33 8.90 11.43 21.55 120.98 85.21 -98.00 145.33 96.98 2.73 0.29 59.02 37.49 0.74 0.10 0.15 0.00 1.05 1.45 83 P C C 63.83 8.54 12.14 22.09 116.42 -97.06 -67.26 151.99 98.78 0.69 0.53 89.45 8.32 1.07 0.23 0.22 0.00 0.32 0.38 84 P C C 82.38 4.42 13.53 19.26 112.98 -99.90 -67.03 151.14 91.19 2.21 6.61 81.16 4.74 5.39 2.68 3.35 0.00 0.96 1.72 85 A C C 78.51 4.85 10.55 17.10 99.45 -109.15 -68.33 -25.08 74.66 3.59 21.74 37.68 16.49 21.24 6.06 14.72 0.02 1.60 2.19 86 E C C 140.98 2.20 12.12 15.33 102.10 61.02 -84.09 11.23 70.63 4.16 25.21 29.97 18.71 23.52 7.47 15.98 0.05 1.93 2.37 87 A C C 57.60 6.97 9.47 17.89 106.99 101.38 -83.33 89.10 70.62 3.32 26.06 35.09 19.97 16.75 8.62 15.98 0.03 1.45 2.12 88 G C C 46.03 4.12 11.78 17.23 109.25 -88.48 15.21 -132.65 74.37 2.42 23.21 33.95 17.34 23.93 6.77 15.41 0.02 1.08 1.51 89 D C C 109.71 2.94 11.47 15.65 100.93 -7.71 -80.71 6.23 73.99 3.16 22.85 32.34 18.31 24.48 5.71 15.97 0.02 1.52 1.65 90 N C C 107.81 4.08 10.96 16.62 100.03 65.16 -87.74 9.22 77.59 5.08 17.34 44.70 16.62 16.56 4.57 12.47 0.01 2.74 2.33 91 T C C 80.34 5.83 10.93 18.45 110.20 106.87 -88.24 105.77 83.81 8.50 7.69 55.82 20.61 6.93 2.89 4.61 0.00 3.90 5.24 92 R C C 159.33 2.75 13.38 17.70 118.53 -158.01 -101.66 132.79 93.69 5.94 0.37 66.20 27.19 0.72 0.15 0.20 0.00 2.55 2.99 93 P C C 72.41 8.48 10.05 20.01 116.75 -108.32 -66.80 150.12 98.81 1.12 0.07 91.54 7.14 0.24 0.02 0.04 0.00 0.53 0.49 94 P C C 76.35 5.42 11.75 19.00 115.62 -101.65 -65.61 151.58 99.16 0.58 0.26 94.10 4.07 1.02 0.06 0.18 0.00 0.26 0.31 95 P C C 104.74 2.79 12.09 16.42 110.96 -99.06 -66.19 141.64 96.13 2.52 1.36 73.88 12.17 9.49 0.24 1.31 0.00 0.97 1.93 96 Y C C 139.00 6.87 7.95 16.14 111.98 -129.77 -91.74 127.31 91.19 7.30 1.51 69.16 15.47 5.50 0.39 1.28 0.00 2.64 5.56 97 S C C 84.66 2.02 10.43 13.99 116.32 -153.86 -101.72 132.93 98.29 1.60 0.11 94.74 3.36 0.37 0.04 0.06 0.00 0.86 0.58 98 P C C 98.86 3.89 11.04 16.78 109.03 -104.84 -67.62 144.39 99.80 0.16 0.05 99.19 0.46 0.20 0.02 0.01 0.00 0.08 0.04