# 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 123.35 3.98 10.35 15.97 112.32 -138.05 -87.82 131.25 99.94 0.04 0.02 99.83 0.08 0.05 0.01 0.00 0.00 0.02 0.01 1 A C C 80.45 2.98 8.00 12.78 111.38 -136.68 -86.52 130.17 89.05 2.96 7.99 82.84 1.57 6.02 3.19 3.27 0.00 1.72 1.38 2 A C C 85.81 2.09 7.94 11.55 111.75 -140.41 -88.48 130.39 83.18 4.52 12.30 53.07 18.02 12.41 3.85 8.22 0.00 2.66 1.75 3 K C C 149.93 2.45 8.06 12.31 113.23 -133.80 -90.04 128.19 79.22 5.22 15.56 54.29 15.61 9.39 4.43 11.20 0.00 3.38 1.70 4 K C C 140.26 3.23 8.67 13.79 113.65 -148.01 -93.86 131.24 79.34 6.26 14.41 57.47 13.56 8.27 4.33 10.25 0.00 4.24 1.87 5 E C C 144.38 2.26 10.75 14.54 113.90 -139.18 -91.55 130.21 80.30 9.54 10.17 58.67 14.23 7.08 3.60 6.77 0.00 6.39 3.27 6 F C C 99.24 8.45 8.79 18.46 120.35 -156.94 -110.11 134.16 87.19 9.41 3.40 68.45 16.17 2.24 1.79 1.67 0.00 5.56 4.12 7 N C C 78.27 4.33 14.44 20.17 110.38 -148.13 -99.37 114.09 91.52 7.24 1.24 86.26 4.44 0.69 0.73 0.44 0.00 3.66 3.77 8 I C G 72.90 12.48 9.60 22.60 93.40 -156.00 -64.38 -28.85 55.07 1.01 43.92 5.16 5.51 41.90 2.37 44.07 0.00 0.67 0.32 9 F C T 140.28 3.53 13.30 18.12 92.59 61.39 -71.39 -21.79 60.12 0.40 39.48 1.73 3.80 53.63 1.49 38.96 0.00 0.25 0.14 10 D C T 107.64 1.76 14.52 16.30 98.04 45.29 -95.91 -3.22 57.32 0.63 42.05 3.53 6.48 44.95 1.43 43.00 0.00 0.40 0.20 11 H C C 67.23 13.21 8.23 21.27 115.88 99.82 -90.95 134.17 92.21 3.93 3.86 71.64 16.70 3.86 1.24 2.52 0.00 2.01 2.03 12 V C C 102.44 3.58 15.24 20.05 114.09 -155.16 -101.83 127.42 81.08 16.53 2.39 61.13 15.58 3.99 0.84 1.68 0.00 10.86 5.92 13 L C C 92.40 8.35 13.59 22.89 110.13 -135.21 -87.17 119.79 67.98 30.49 1.54 50.23 14.05 2.76 0.61 1.17 0.01 20.17 11.02 14 V C C 60.27 11.80 12.76 25.41 118.29 -156.57 -108.37 126.22 72.59 27.29 0.12 65.61 6.92 0.20 0.05 0.08 0.00 23.16 3.97 15 P C C 53.90 10.52 14.32 26.04 115.51 -114.94 -68.49 152.39 86.00 13.92 0.08 78.10 6.51 0.44 0.01 0.08 0.00 14.21 0.64 16 E C C 124.91 4.14 18.60 23.74 112.84 -102.48 -74.95 132.45 77.34 22.53 0.12 70.16 5.69 0.50 0.02 0.11 0.00 22.18 1.33 17 H E E 57.78 18.53 10.59 28.01 127.57 -168.04 -121.78 145.75 33.69 66.25 0.06 32.23 1.54 0.09 0.02 0.04 0.00 63.70 2.37 18 R E E 128.72 4.85 20.80 26.63 123.69 -148.50 -119.53 138.09 11.96 88.01 0.03 11.66 0.40 0.04 0.01 0.02 0.00 85.13 2.74 19 I E E 79.39 12.54 15.69 28.64 113.91 -126.00 -83.72 129.81 20.82 79.13 0.06 20.45 0.73 0.07 0.03 0.03 0.00 75.18 3.52 20 L C C 24.83 17.51 10.14 27.64 118.91 -131.40 -84.18 148.20 90.70 9.25 0.05 89.40 1.87 0.06 0.02 0.02 0.00 8.09 0.54 21 S C C 57.14 2.41 18.96 20.55 120.72 -113.99 -74.44 163.34 99.41 0.44 0.15 99.23 0.33 0.06 0.09 0.01 0.00 0.20 0.08 22 E H H 133.85 3.70 12.56 18.29 90.74 -101.83 -57.66 -38.35 1.68 0.00 98.32 0.37 0.29 0.80 98.21 0.33 0.00 0.00 0.00 23 E H H 136.37 0.88 16.65 15.59 91.76 52.29 -64.18 -40.26 0.93 0.00 99.06 0.17 0.10 0.54 98.79 0.39 0.00 0.00 0.00 24 E H H 60.72 8.80 14.55 24.99 92.14 48.90 -65.89 -40.10 0.49 0.00 99.51 0.13 0.05 0.25 99.18 0.39 0.00 0.00 0.00 25 K H H 45.76 16.69 13.25 29.72 91.62 52.32 -62.30 -42.41 0.26 0.00 99.74 0.06 0.02 0.11 99.75 0.05 0.00 0.00 0.00 26 E H H 103.42 3.35 19.58 23.05 91.56 50.20 -64.18 -41.10 0.31 0.00 99.69 0.05 0.02 0.15 99.76 0.02 0.00 0.00 0.00 27 E H H 97.69 2.32 20.77 21.96 91.55 49.51 -64.61 -41.90 0.40 0.00 99.60 0.07 0.03 0.20 99.68 0.02 0.00 0.00 0.00 28 L H H 13.31 15.74 15.29 32.40 91.85 49.46 -64.13 -42.79 0.59 0.01 99.40 0.08 0.05 0.34 99.48 0.04 0.00 0.00 0.00 29 L H H 25.94 14.35 13.94 29.35 91.91 50.35 -63.81 -41.28 0.85 0.01 99.14 0.14 0.07 0.51 99.15 0.12 0.00 0.00 0.00 30 K H H 148.02 1.18 18.06 17.98 91.89 50.14 -65.12 -40.63 1.82 0.01 98.17 0.15 0.09 1.40 97.89 0.46 0.00 0.00 0.00 31 K H H 126.65 3.11 16.02 19.96 92.38 49.23 -66.68 -36.76 4.95 0.01 95.04 0.13 0.18 4.65 94.51 0.52 0.01 0.00 0.00 32 Y H H 66.23 12.53 11.61 25.06 97.91 33.95 -100.91 4.81 46.82 0.05 53.12 0.92 2.45 42.31 52.98 1.26 0.02 0.01 0.05 33 R C T 193.36 0.85 18.15 17.56 92.90 -122.84 56.23 41.04 99.75 0.01 0.24 6.44 2.02 91.38 0.09 0.06 0.00 0.00 0.00 34 I C C 33.84 15.82 8.98 24.72 128.65 135.93 -119.26 152.25 99.54 0.35 0.11 94.56 4.75 0.13 0.05 0.03 0.00 0.08 0.41 35 R C C 143.51 1.78 21.63 21.64 119.32 -125.08 -92.08 146.49 99.68 0.17 0.16 99.17 0.54 0.06 0.03 0.06 0.00 0.05 0.09 36 I H G 69.88 16.69 10.60 26.40 91.68 -116.46 -58.25 -35.29 5.13 0.04 94.84 0.32 0.36 3.00 0.21 96.08 0.00 0.02 0.00 37 S H G 89.65 1.59 17.97 19.52 90.25 62.45 -70.18 -15.59 4.97 0.02 95.01 0.15 0.25 3.23 0.14 96.22 0.00 0.01 0.00 38 Q H G 100.98 5.88 17.64 24.59 94.35 60.56 -90.61 -4.81 6.02 0.04 93.94 0.50 0.53 2.92 0.19 95.84 0.00 0.02 0.00 39 L C S 14.51 23.67 10.43 33.37 118.23 99.86 -80.67 140.54 99.49 0.42 0.09 44.73 54.68 0.19 0.02 0.04 0.00 0.12 0.23 40 P C C 37.76 11.43 20.54 32.86 114.75 -107.30 -67.33 149.15 98.52 1.47 0.02 94.38 4.23 0.10 0.00 0.01 0.00 1.04 0.23 41 Q E E 92.83 11.41 22.04 33.29 118.70 -128.91 -91.14 138.26 20.38 79.55 0.07 18.90 0.99 0.07 0.04 0.04 0.00 65.86 14.11 42 I E E 14.38 22.98 13.28 36.15 119.96 -150.65 -106.16 133.08 19.28 80.69 0.03 19.50 0.37 0.02 0.02 0.01 0.00 72.79 7.28 43 K E E 97.55 5.08 22.85 27.82 115.91 -124.19 -80.09 144.08 43.66 56.05 0.29 43.66 0.82 0.18 0.10 0.18 0.00 49.04 6.01 44 A C T 54.03 13.57 12.70 26.55 91.45 -118.67 -62.08 -26.37 99.48 0.11 0.41 0.46 2.79 96.36 0.02 0.29 0.00 0.06 0.03 45 S C T 91.60 1.24 18.77 18.86 93.54 56.66 -90.41 -0.36 99.61 0.03 0.36 0.55 2.76 96.34 0.01 0.32 0.00 0.01 0.01 46 D C C 27.10 15.95 10.09 26.74 112.77 120.10 -69.66 132.54 99.70 0.18 0.12 77.47 22.07 0.10 0.08 0.03 0.00 0.03 0.22 47 P H H 79.25 3.89 20.45 24.97 91.20 -130.34 -60.41 -32.85 5.47 0.01 94.53 0.24 0.53 4.89 93.95 0.37 0.01 0.00 0.00 48 A H H 14.18 17.41 17.03 34.75 91.55 56.62 -64.84 -39.66 1.70 0.00 98.30 0.07 0.11 1.59 97.82 0.41 0.00 0.00 0.00 49 V H H 8.43 21.95 14.14 36.05 91.98 50.50 -64.48 -42.40 0.29 0.00 99.71 0.04 0.02 0.20 99.32 0.42 0.00 0.00 0.00 50 V H H 100.47 3.38 20.00 24.05 92.06 48.93 -64.92 -40.42 0.21 0.00 99.79 0.02 0.01 0.15 99.33 0.49 0.00 0.00 0.00 51 A H H 62.35 6.13 18.91 25.85 91.85 51.35 -66.68 -35.51 1.63 0.00 98.37 0.05 0.07 1.60 97.82 0.46 0.00 0.00 0.00 52 L H H 29.46 18.24 14.32 32.42 94.06 42.46 -87.67 -10.52 30.57 0.02 69.41 0.29 0.94 29.28 68.92 0.53 0.01 0.00 0.01 53 G C T 49.99 2.64 23.31 25.82 94.74 -119.54 71.68 28.38 99.81 0.00 0.19 11.11 1.25 87.51 0.10 0.03 0.00 0.00 0.00 54 A C C 8.62 24.44 9.46 32.93 119.24 166.20 -79.45 147.24 99.75 0.22 0.03 99.05 0.64 0.04 0.01 0.01 0.00 0.05 0.21 55 K C C 118.65 2.57 24.85 27.30 130.91 -163.89 -128.14 156.88 99.89 0.10 0.01 99.11 0.75 0.02 0.00 0.00 0.00 0.02 0.08 56 P C T 77.25 10.62 16.77 27.99 110.25 -76.33 -58.58 135.80 99.86 0.06 0.08 0.07 1.27 98.57 0.00 0.04 0.00 0.02 0.02 57 G C T 33.55 7.16 20.36 28.68 96.30 24.98 89.49 -6.33 99.93 0.03 0.04 0.14 1.24 98.57 0.00 0.03 0.00 0.02 0.00 58 D C C 30.66 13.45 18.74 33.50 117.83 131.59 -72.48 146.96 92.95 7.05 0.01 88.92 4.17 0.06 0.00 0.01 0.00 6.55 0.29 59 V E E 30.82 15.39 21.82 37.66 116.49 -133.34 -101.71 128.84 2.32 97.68 0.00 2.48 0.04 0.00 0.00 0.00 0.00 97.12 0.35 60 I E E 10.17 21.82 19.09 40.96 127.33 -170.45 -119.77 142.78 0.43 99.57 0.00 0.42 0.00 0.00 0.00 0.00 0.00 99.57 0.00 61 E E E 63.88 10.68 23.67 34.87 115.87 -135.39 -99.82 128.13 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 62 I E E 15.76 20.21 16.32 36.85 121.52 -167.26 -114.90 132.59 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 63 K E E 88.00 8.52 19.36 28.91 119.14 -157.55 -109.90 129.69 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 64 R E E 77.89 10.81 14.54 26.60 132.29 173.34 -136.47 150.15 1.30 98.70 0.00 1.10 0.05 0.00 0.00 0.00 0.00 98.83 0.02 65 K E E 139.27 3.12 14.76 19.31 114.38 -117.96 -87.14 129.40 9.83 90.16 0.01 8.60 0.76 0.05 0.00 0.01 0.00 90.37 0.22 66 S C E 32.88 11.28 7.43 19.41 121.76 -167.17 -111.10 140.23 51.41 48.54 0.05 48.36 1.73 0.16 0.01 0.04 0.00 48.90 0.80 67 P C T 123.75 0.80 11.17 11.78 93.21 -119.02 -64.05 -26.62 98.50 0.44 1.06 0.85 14.38 83.24 0.03 1.12 0.00 0.29 0.09 68 T C T 116.27 0.78 10.52 10.81 100.65 40.41 -91.43 -23.77 99.02 0.12 0.86 0.83 14.98 83.17 0.02 0.90 0.00 0.07 0.04 69 A C T 64.81 4.34 9.54 15.31 106.75 23.96 -108.31 -15.79 97.36 1.65 1.00 4.65 21.44 71.18 0.05 1.14 0.00 1.27 0.26 70 G E E 39.89 2.30 13.85 16.94 121.53 -127.53 86.32 -164.26 40.95 58.88 0.16 29.17 8.51 2.22 0.02 0.16 0.00 59.29 0.63 71 Y E E 141.37 4.68 12.49 18.85 119.44 -16.31 -99.33 137.18 8.37 91.62 0.01 6.93 0.86 0.07 0.00 0.01 0.00 91.95 0.17 72 Y E E 85.99 9.80 13.09 24.47 128.27 -174.47 -128.60 147.39 1.15 98.85 0.00 0.96 0.06 0.00 0.00 0.00 0.00 98.97 0.02 73 Y E E 98.09 10.05 16.08 27.21 120.07 -139.59 -108.22 133.13 0.50 99.50 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.00 74 Y E E 57.15 13.29 17.14 31.31 127.75 -171.84 -123.43 146.87 0.92 99.08 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.18 0.00 75 Y E E 50.69 14.75 18.74 34.13 123.36 -152.98 -114.31 141.50 2.02 97.98 0.00 1.82 0.03 0.00 0.00 0.00 0.00 98.14 0.01 76 R E E 35.73 17.35 20.42 37.70 126.94 -167.40 -122.07 141.15 2.02 97.98 0.00 1.77 0.04 0.00 0.00 0.00 0.00 98.18 0.01 77 L E E 28.05 14.98 23.18 38.69 118.75 -145.29 -103.29 131.20 0.76 99.24 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.30 0.01 78 V E E 12.16 20.28 18.41 39.10 120.37 -157.93 -107.33 133.10 1.20 98.79 0.00 1.09 0.03 0.00 0.00 0.00 0.00 98.82 0.05 79 V E E 37.86 11.54 18.82 31.70 122.79 -166.29 -115.41 140.52 7.35 92.64 0.01 6.86 0.27 0.01 0.00 0.01 0.00 92.44 0.41 80 E E E 104.81 8.25 14.58 23.86 113.38 -120.65 -82.41 135.66 39.48 60.45 0.07 37.05 1.08 0.28 0.01 0.05 0.00 61.04 0.49 81 D C C 99.41 4.93 14.87 21.24 109.95 -113.58 -87.44 124.69 99.76 0.23 0.01 99.58 0.18 0.06 0.00 0.00 0.00 0.17 0.01