# 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 A C C 65.91 8.32 12.34 21.73 115.06 -158.40 -85.34 142.59 99.64 0.32 0.04 99.41 0.23 0.11 0.02 0.01 0.00 0.16 0.06 1 S C C 82.57 3.26 11.64 16.65 113.29 -135.58 -92.06 136.41 94.13 4.21 1.66 86.32 2.91 5.12 0.47 0.98 0.00 2.46 1.73 2 G C C 57.67 2.50 11.26 15.43 111.65 -103.01 -85.58 121.29 93.07 5.37 1.56 49.67 27.41 16.17 0.26 1.52 0.00 3.31 1.65 3 G C C 53.43 3.02 11.32 16.15 117.99 14.83 118.99 176.05 88.90 9.62 1.48 44.30 31.54 13.68 0.23 1.50 0.00 6.57 2.18 4 G C C 51.92 3.09 12.87 17.41 119.74 -87.56 120.81 171.11 81.84 17.47 0.70 51.78 26.88 3.64 0.18 0.66 0.00 11.68 5.17 5 V C C 88.84 7.59 11.14 20.17 119.04 -66.97 -98.43 134.50 77.69 22.19 0.12 64.12 14.04 0.34 0.05 0.08 0.00 15.50 5.87 6 P C C 56.64 9.43 11.25 22.17 116.45 -108.76 -67.72 152.29 87.61 12.29 0.10 86.17 2.11 0.16 0.05 0.05 0.00 7.90 3.57 7 T C C 72.15 3.94 15.38 20.12 120.22 -119.04 -82.78 162.89 98.49 1.11 0.40 96.17 2.20 0.21 0.30 0.06 0.00 0.38 0.67 8 D H H 96.39 6.38 12.28 20.28 93.64 -101.46 -60.27 -34.64 12.79 0.10 87.10 1.78 1.98 8.49 72.77 14.82 0.06 0.05 0.05 9 E H H 122.58 4.43 13.63 19.31 92.75 57.35 -66.58 -31.39 9.58 0.08 90.33 1.15 0.97 6.69 74.30 16.77 0.03 0.05 0.03 10 E H H 114.37 4.35 14.80 20.25 94.52 53.67 -78.17 -21.31 8.03 0.14 91.83 1.56 1.17 4.98 75.94 16.19 0.03 0.09 0.04 11 Q H H 83.94 8.69 13.92 23.64 99.15 55.59 -90.04 -4.46 19.84 0.62 79.54 6.21 4.79 10.74 71.38 6.17 0.12 0.28 0.32 12 A C C 35.95 12.32 11.24 24.44 113.89 99.19 -82.25 134.41 65.00 2.64 32.36 40.10 11.56 12.35 31.20 2.29 0.02 1.02 1.46 13 T C C 69.05 5.42 16.38 22.97 125.48 -167.14 -113.34 160.96 70.47 3.50 26.03 44.79 13.39 10.75 25.50 2.20 0.02 1.28 2.06 14 G H H 38.62 4.52 18.37 23.51 114.83 -18.90 67.60 -140.26 42.73 1.27 56.01 12.41 19.54 12.56 52.13 2.11 0.15 0.45 0.64 15 L H H 77.50 10.12 15.84 26.63 92.83 -7.38 -66.10 -34.88 19.52 0.48 80.00 7.03 4.82 8.84 76.87 1.94 0.06 0.20 0.23 16 E H H 79.37 10.06 15.88 26.69 91.60 55.21 -63.00 -39.99 8.12 0.29 91.60 4.43 1.33 2.98 89.58 1.42 0.01 0.14 0.10 17 R H H 117.96 4.92 18.77 24.49 91.67 51.47 -64.28 -39.84 2.16 0.07 97.77 0.99 0.35 0.95 97.23 0.43 0.01 0.03 0.02 18 E H H 82.64 7.08 19.50 27.22 91.85 50.22 -64.42 -41.50 0.78 0.03 99.20 0.30 0.09 0.37 99.04 0.17 0.00 0.01 0.00 19 I H H 42.32 12.21 17.17 30.32 92.01 49.66 -64.24 -42.58 0.34 0.01 99.66 0.10 0.03 0.16 99.65 0.06 0.00 0.00 0.00 20 M H H 72.31 6.33 19.12 26.40 91.75 50.04 -63.78 -41.41 0.21 0.00 99.78 0.04 0.01 0.11 99.79 0.04 0.00 0.00 0.00 21 L H H 73.95 3.64 19.39 23.30 91.75 49.91 -64.29 -41.69 0.25 0.00 99.74 0.04 0.01 0.15 99.74 0.05 0.00 0.00 0.00 22 A H H 17.20 9.08 13.35 25.15 91.45 51.28 -63.52 -41.45 0.53 0.00 99.47 0.07 0.03 0.34 99.44 0.12 0.00 0.00 0.00 23 A H H 51.05 7.87 13.36 22.58 91.85 51.15 -64.41 -39.67 1.06 0.00 98.94 0.09 0.04 0.82 98.63 0.42 0.00 0.00 0.00 24 K H H 154.32 1.60 14.21 16.12 90.87 52.74 -66.28 -30.45 6.57 0.01 93.42 0.17 0.18 6.49 92.54 0.60 0.01 0.00 0.01 25 K C T 141.68 1.73 13.00 15.02 93.24 49.36 -88.68 -0.76 75.99 0.03 23.99 0.29 0.80 74.69 23.58 0.60 0.00 0.00 0.02 26 G C T 62.15 1.14 13.53 14.71 94.45 -110.34 77.71 14.41 99.87 0.01 0.12 1.40 0.93 97.61 0.04 0.02 0.00 0.00 0.00 27 L C C 80.15 6.41 11.51 19.95 120.34 136.55 -101.96 139.48 98.51 1.43 0.06 94.75 3.46 0.11 0.03 0.02 0.00 0.40 1.22 28 D C C 74.64 6.45 17.05 24.80 108.45 -121.53 -84.38 115.47 99.50 0.37 0.12 98.19 1.25 0.17 0.03 0.05 0.00 0.14 0.18 29 P C G 31.16 18.11 13.24 31.57 93.62 -161.39 -68.49 -18.81 59.06 1.09 39.85 14.60 7.74 33.38 1.40 41.92 0.00 0.65 0.31 30 Y C G 85.67 13.74 16.07 29.71 96.18 69.75 -79.78 -10.49 57.32 2.06 40.62 6.94 8.73 39.71 1.93 40.80 0.00 1.29 0.58 31 N C G 97.95 4.99 19.97 25.60 99.42 69.11 -90.57 21.17 54.72 3.67 41.61 27.51 12.15 14.48 2.39 40.32 0.00 2.15 0.99 32 V C C 48.13 16.59 12.21 28.29 115.56 127.39 -89.58 132.69 79.73 9.26 11.00 50.75 19.22 9.10 2.94 8.23 0.01 4.36 5.37 33 L C C 92.97 7.08 18.75 26.57 115.94 -154.22 -93.74 129.97 84.44 11.51 4.05 54.88 25.06 4.34 1.24 2.95 0.00 5.56 5.97 34 A C C 55.93 11.82 16.58 28.58 117.18 -118.26 -82.97 139.51 95.76 3.97 0.27 83.04 12.47 0.52 0.09 0.17 0.00 2.75 0.96 35 P C C 42.98 17.51 12.10 29.18 115.04 -107.18 -66.85 147.51 94.17 5.18 0.65 90.38 3.11 0.88 0.20 0.38 0.00 3.11 1.95 36 K C C 146.36 3.07 18.79 22.88 109.85 -134.29 -88.17 109.51 86.35 12.92 0.73 68.02 15.62 2.65 0.24 0.57 0.00 7.00 5.90 37 G C C 38.73 9.70 15.17 25.50 129.92 -92.13 -132.57 163.03 82.43 16.77 0.81 62.55 17.07 2.95 0.23 0.72 0.00 10.85 5.62 38 A C C 49.22 10.69 15.69 27.01 122.20 -131.70 -111.10 151.82 84.91 14.44 0.65 77.11 6.11 1.33 0.20 0.50 0.00 9.44 5.30 39 S C C 73.24 5.17 18.78 25.08 115.35 -106.00 -80.57 141.76 84.86 14.20 0.93 56.50 20.05 8.81 0.23 0.86 0.00 8.96 4.59 40 G C S 29.19 12.99 15.08 27.86 117.07 39.62 97.83 -1.72 92.87 6.64 0.49 25.13 56.59 11.38 0.07 0.53 0.00 4.67 1.63 41 T C C 54.44 6.12 19.48 26.33 129.11 25.72 -119.09 159.94 86.52 12.95 0.53 54.34 29.91 1.39 0.23 0.30 0.00 3.71 10.11 42 R C S 117.29 13.18 13.02 26.06 92.56 -108.79 -62.94 -27.06 96.51 1.80 1.69 3.62 49.29 43.92 0.12 1.39 0.00 1.06 0.60 43 E C S 145.25 1.78 17.98 19.48 95.02 55.56 -76.36 -22.67 96.76 1.88 1.36 3.25 48.90 44.85 0.07 1.24 0.00 1.21 0.47 44 D C S 86.27 4.48 18.27 23.56 110.13 31.70 -124.84 74.19 93.73 5.71 0.56 27.13 65.25 1.89 0.10 0.43 0.00 3.01 2.20 45 P C C 27.04 20.78 12.12 32.18 118.37 -159.12 -68.91 149.08 93.63 6.14 0.23 89.91 3.04 0.95 0.05 0.16 0.00 4.85 1.05 46 N C E 46.01 12.68 21.81 34.97 115.96 -129.64 -95.87 132.00 50.21 49.68 0.11 36.25 13.87 0.90 0.03 0.12 0.00 46.66 2.17 47 L E E 60.15 15.76 22.16 37.07 117.73 -142.30 -97.81 128.68 6.87 93.10 0.03 6.06 0.72 0.05 0.01 0.02 0.00 90.90 2.24 48 V E E 12.51 21.11 19.23 40.28 119.62 -168.99 -119.52 123.72 7.84 92.13 0.02 7.43 0.37 0.03 0.01 0.01 0.00 91.35 0.80 49 P E E 52.49 9.48 24.41 34.36 114.62 -119.08 -69.16 142.64 26.54 73.35 0.11 23.79 2.07 0.27 0.02 0.08 0.00 72.87 0.90 50 S C C 16.04 21.50 14.20 34.82 125.25 -158.02 -113.17 154.25 75.77 22.98 1.25 68.36 5.07 1.55 0.28 1.11 0.00 19.59 4.04 51 I C T 75.99 10.36 18.63 29.36 102.51 -134.51 -83.93 0.50 87.28 8.65 4.07 12.30 33.87 41.73 0.34 3.79 0.01 6.13 1.83 52 S C T 54.67 7.77 17.97 26.12 111.98 40.75 -89.38 119.69 93.76 2.38 3.86 5.15 35.98 52.92 0.24 3.58 0.00 1.59 0.55 53 N C S 110.96 5.54 18.47 24.98 95.70 -96.67 -24.58 21.27 92.62 4.41 2.97 16.76 59.95 15.87 0.21 2.93 0.00 3.34 0.93 54 K C C 69.00 12.51 18.09 31.05 127.22 109.90 -112.46 148.15 71.30 28.22 0.48 53.32 13.66 3.30 0.07 0.50 0.00 27.75 1.39 55 R E E 56.75 16.80 21.40 37.61 121.05 -141.90 -105.33 136.07 20.76 79.18 0.06 18.73 1.50 0.13 0.01 0.04 0.00 78.92 0.66 56 I E E 13.91 21.18 23.66 44.42 120.50 -155.02 -111.95 130.92 2.56 97.44 0.00 2.35 0.08 0.00 0.00 0.00 0.00 97.45 0.11 57 V E E 6.04 23.47 26.03 48.77 122.33 -164.99 -114.33 132.19 0.82 99.18 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.24 0.02 58 G E E 3.20 22.63 26.21 47.82 138.09 150.52 -135.89 161.58 0.71 99.29 0.00 0.60 0.04 0.00 0.00 0.00 0.00 99.34 0.01 59 C E E 7.13 22.57 24.33 46.41 132.45 -148.53 -133.25 147.10 1.34 98.66 0.00 1.25 0.05 0.00 0.00 0.00 0.00 98.65 0.04 60 I E E 37.87 14.70 24.22 39.09 116.35 -134.67 -97.06 128.44 4.98 95.00 0.02 4.49 0.33 0.04 0.00 0.01 0.00 94.77 0.35 61 C E E 18.31 17.48 15.58 33.31 121.10 -160.93 -100.16 146.63 34.15 65.65 0.21 27.07 6.24 0.78 0.04 0.17 0.00 64.80 0.90 62 E C C 93.87 6.60 17.35 24.54 116.31 -120.76 -90.45 155.74 63.68 33.66 2.66 39.06 19.06 6.64 0.44 2.35 0.01 30.30 2.14 63 E C T 129.67 4.34 14.15 19.78 96.72 -81.88 -66.97 -33.16 84.98 4.00 11.02 6.36 19.94 57.52 0.67 11.43 0.01 3.24 0.84 64 D C T 107.33 2.56 14.54 17.53 98.52 33.44 -89.33 5.73 88.37 0.76 10.87 6.02 15.13 65.73 0.75 11.56 0.00 0.46 0.35 65 N C T 80.32 9.88 13.10 23.60 100.03 -84.38 55.32 36.26 82.21 7.52 10.27 18.08 29.95 34.87 0.82 9.65 0.02 5.00 1.62 66 T C C 67.77 8.67 16.50 26.02 101.44 125.11 -97.22 3.18 67.26 31.22 1.52 40.84 14.65 11.78 0.23 1.39 0.00 29.82 1.29 67 S E E 32.59 10.61 19.78 31.40 125.46 83.86 -114.27 145.83 33.00 66.81 0.18 26.54 5.32 0.68 0.04 0.15 0.00 66.55 0.71 68 V E E 20.68 20.54 17.95 38.32 119.77 -142.47 -106.47 130.60 6.60 93.38 0.02 6.05 0.30 0.02 0.01 0.01 0.00 93.50 0.11 69 V E E 22.57 15.76 23.79 39.95 119.82 -159.46 -110.93 129.02 0.61 99.39 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.01 70 W E E 36.31 19.31 22.48 41.32 119.61 -157.01 -107.94 130.56 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 71 F E E 15.41 20.54 22.42 42.58 130.21 -174.65 -127.54 144.95 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 72 W E E 49.35 15.21 25.85 41.04 117.43 -140.78 -103.01 131.17 1.15 98.85 0.00 1.00 0.03 0.00 0.00 0.00 0.00 98.95 0.02 73 L E E 5.36 25.10 18.68 44.41 116.39 -151.00 -99.62 127.15 6.21 93.77 0.02 5.14 0.72 0.05 0.00 0.01 0.00 93.91 0.16 74 H E E 55.91 10.98 22.82 34.20 128.62 -173.44 -123.43 146.01 19.22 80.70 0.07 16.95 1.93 0.22 0.02 0.05 0.00 79.47 1.36 75 K C S 102.24 11.36 16.72 28.20 110.57 -103.83 -75.19 128.30 66.37 33.01 0.62 8.50 36.90 22.81 0.06 0.56 0.00 30.01 1.15 76 G C S 45.62 3.55 18.75 22.65 115.27 15.31 91.56 -145.97 87.39 12.30 0.30 4.72 58.31 23.93 0.01 0.31 0.00 12.37 0.36 77 E C C 124.61 3.08 20.12 23.70 119.47 2.19 -96.10 143.37 79.31 20.51 0.19 57.47 20.24 1.30 0.02 0.22 0.00 19.74 1.01 78 A C C 34.61 18.54 12.80 30.49 115.48 -111.40 -72.97 140.84 66.26 33.66 0.08 64.56 1.21 0.17 0.01 0.06 0.00 33.43 0.56 79 Q E E 64.42 10.93 20.94 32.26 131.42 -170.04 -130.29 148.47 10.36 89.60 0.04 8.80 1.55 0.13 0.01 0.03 0.00 88.62 0.86 80 R E E 117.30 9.60 20.89 30.98 118.76 -130.59 -100.72 135.90 4.26 95.73 0.02 3.73 0.29 0.01 0.02 0.01 0.00 85.25 10.70 81 C C C 8.03 22.01 11.28 34.00 108.39 -117.60 -74.57 120.70 92.15 7.83 0.02 92.76 0.33 0.05 0.00 0.01 0.00 6.33 0.52 82 P C T 87.79 4.95 18.62 24.88 92.86 -151.96 -66.87 -25.65 99.63 0.09 0.29 0.33 3.91 95.38 0.01 0.28 0.00 0.06 0.02 83 R C T 147.26 3.87 17.66 22.31 98.85 45.81 -80.19 -38.93 99.60 0.06 0.34 0.07 2.41 97.22 0.00 0.26 0.00 0.02 0.01 84 C C T 45.62 10.54 15.03 26.64 102.85 21.78 -109.17 -14.17 99.64 0.08 0.28 0.27 3.41 96.03 0.01 0.23 0.00 0.04 0.02 85 G C C 31.85 7.28 18.37 27.17 96.31 -120.32 81.02 6.89 98.97 0.86 0.17 82.62 9.25 7.09 0.05 0.12 0.00 0.57 0.30 86 A C C 20.39 14.49 16.79 32.67 117.79 147.00 -73.84 145.23 87.20 12.78 0.02 85.03 2.48 0.06 0.00 0.01 0.00 11.58 0.83 87 H E E 54.84 13.84 22.25 36.27 122.91 -148.93 -107.73 139.92 1.35 98.65 0.00 1.27 0.06 0.00 0.00 0.00 0.00 97.82 0.84 88 Y E E 17.84 22.22 18.67 40.82 134.80 -176.77 -135.90 151.66 0.69 99.31 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.30 0.02 89 K E E 72.86 10.60 26.17 37.20 120.90 -128.13 -102.31 138.82 0.95 99.05 0.00 0.98 0.02 0.00 0.00 0.00 0.00 98.97 0.03 90 L E E 10.37 24.20 15.46 40.16 114.08 -122.55 -83.12 133.25 5.67 94.33 0.00 5.61 0.12 0.01 0.00 0.00 0.00 93.98 0.27 91 V E E 46.54 9.73 22.46 33.07 122.02 -165.48 -116.10 132.58 14.75 85.23 0.01 14.04 0.49 0.02 0.00 0.01 0.00 85.04 0.40 92 P E E 73.85 10.01 17.80 28.29 112.92 -109.46 -66.44 141.71 26.45 73.38 0.17 23.70 2.29 0.32 0.04 0.13 0.00 72.38 1.14 93 Q C C 62.07 13.99 11.48 25.56 121.80 -159.40 -113.76 139.57 79.32 19.45 1.23 71.41 5.67 1.52 0.32 0.97 0.00 17.91 2.22 94 Q C C 139.10 1.85 15.07 17.53 110.20 -133.79 -85.47 123.77 85.04 11.74 3.22 65.75 13.52 5.26 0.68 2.92 0.00 9.25 2.61 95 L C C 94.33 7.53 8.82 17.62 114.59 -139.95 -88.24 130.80 91.42 4.55 4.03 63.41 17.13 10.35 0.71 3.79 0.00 3.14 1.47 96 A C C 79.84 3.24 9.50 14.45 109.39 -115.00 -78.92 127.51 95.83 2.17 2.00 86.86 2.47 6.74 0.40 1.39 0.00 1.43 0.72 97 H C C 132.42 4.27 10.24 16.30 110.70 -149.97 -96.11 106.95 99.83 0.14 0.03 99.58 0.20 0.11 0.01 0.01 0.00 0.07 0.02