# 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 124.27 3.94 13.15 18.67 115.66 -153.34 -95.80 129.93 99.81 0.18 0.00 99.80 0.07 0.01 0.00 0.00 0.00 0.10 0.01 1 V C C 79.06 9.06 9.42 19.60 118.63 -153.07 -100.00 135.21 86.62 13.29 0.09 87.11 0.32 0.13 0.03 0.03 0.00 10.80 1.58 2 T C C 84.66 4.15 14.67 20.37 119.61 -150.76 -104.79 139.33 65.98 33.87 0.15 63.62 2.02 0.30 0.04 0.10 0.00 32.01 1.91 3 T C C 61.39 12.61 12.32 25.29 123.94 -155.08 -114.19 139.72 54.73 45.18 0.08 51.85 2.20 0.18 0.02 0.07 0.00 44.72 0.96 4 N E E 61.28 9.06 18.01 28.01 128.56 -162.81 -122.49 154.47 28.36 71.54 0.10 24.69 3.05 0.30 0.02 0.08 0.00 71.06 0.81 5 Q E E 90.39 8.46 19.81 28.87 119.03 -115.87 -95.85 137.66 6.16 93.78 0.06 5.80 0.32 0.02 0.09 0.01 0.00 60.89 32.87 6 C C C 7.32 21.62 11.86 34.18 109.92 -113.37 -69.73 128.18 85.25 14.70 0.05 86.41 0.57 0.08 0.01 0.02 0.00 11.53 1.38 7 S C T 57.90 7.15 20.16 28.54 92.82 -147.58 -70.10 -22.94 99.70 0.15 0.15 0.33 6.09 93.32 0.00 0.14 0.00 0.10 0.03 8 Y C T 87.21 12.32 17.20 29.57 100.09 45.02 -83.77 -40.45 99.82 0.06 0.11 0.06 3.08 96.74 0.00 0.08 0.00 0.03 0.01 9 S C T 47.12 7.97 16.01 25.25 102.13 18.36 -106.63 -14.15 99.83 0.07 0.10 0.28 3.91 95.67 0.00 0.09 0.00 0.04 0.01 10 G C C 43.21 6.03 15.99 23.33 95.34 -122.65 80.55 5.91 99.30 0.64 0.07 83.63 11.39 4.27 0.01 0.06 0.00 0.32 0.31 11 R C C 101.26 7.39 16.23 25.25 118.13 141.00 -77.50 145.49 95.45 4.54 0.02 90.18 5.61 0.10 0.00 0.01 0.00 3.58 0.52 12 K E E 119.81 6.10 20.97 28.04 114.76 -114.31 -77.53 136.39 2.96 97.02 0.01 2.72 0.22 0.01 0.02 0.00 0.00 64.04 32.97 13 I E E 14.17 22.61 11.79 34.17 120.48 -153.52 -109.82 133.00 29.71 70.27 0.02 29.66 0.62 0.02 0.01 0.01 0.00 63.06 6.62 14 L C C 72.06 6.43 20.95 27.91 117.31 -121.60 -80.36 145.41 96.24 3.70 0.06 95.20 1.44 0.12 0.01 0.04 0.00 2.66 0.54 15 P C T 77.21 9.27 15.22 25.50 110.46 -87.05 -59.41 137.46 91.25 1.37 7.37 2.43 6.51 81.27 0.21 8.22 0.00 0.91 0.45 16 G C T 52.24 3.55 17.75 21.94 95.87 21.51 86.06 -4.52 91.19 1.01 7.80 2.21 5.74 82.32 0.28 8.47 0.00 0.77 0.20 17 Y C C 111.72 8.59 16.92 26.27 108.54 94.89 -105.52 -5.63 81.78 6.17 12.05 41.87 23.16 15.35 1.07 12.69 0.00 3.57 2.29 18 G C S 21.14 13.61 16.78 30.16 130.77 51.77 133.04 -167.57 87.39 11.99 0.61 32.05 50.36 5.11 0.07 0.63 0.00 10.64 1.13 19 K E E 80.34 10.95 19.76 30.93 120.16 -35.86 -96.79 139.49 34.20 65.57 0.23 24.12 8.53 1.34 0.02 0.22 0.00 65.30 0.47 20 R E E 83.00 14.54 18.45 32.82 124.03 -155.08 -116.40 136.85 2.58 97.41 0.01 2.28 0.14 0.01 0.00 0.00 0.00 97.48 0.09 21 M E E 33.51 14.72 18.27 33.77 130.69 -172.12 -126.17 150.07 0.37 99.63 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.65 0.01 22 S E E 29.17 11.38 16.55 29.71 120.28 -145.71 -112.13 134.22 2.90 97.09 0.01 2.64 0.13 0.01 0.00 0.00 0.00 97.00 0.20 23 R C C 71.45 10.41 13.80 25.34 122.92 -147.53 -88.58 170.71 80.80 18.62 0.59 78.33 1.60 0.85 0.08 0.56 0.00 17.55 1.02 24 H C T 136.03 4.78 12.97 19.03 92.52 -95.49 -63.12 -25.81 96.82 1.04 2.14 1.18 5.61 89.65 0.06 2.51 0.00 0.83 0.15 25 D C T 99.98 2.69 13.02 16.50 94.04 53.44 -88.95 3.75 97.71 0.12 2.16 0.62 4.28 92.42 0.06 2.51 0.00 0.07 0.03 26 K C S 137.96 4.04 13.31 18.89 95.24 -106.17 74.03 14.41 96.70 1.05 2.25 20.09 71.40 5.11 0.20 2.21 0.00 0.56 0.43 27 V C C 64.14 6.53 14.20 22.66 117.31 143.19 -82.68 139.57 91.33 8.62 0.05 90.15 1.53 0.13 0.01 0.03 0.00 7.35 0.80 28 L E E 65.80 10.83 16.78 28.79 118.19 -140.58 -104.46 130.43 2.68 97.31 0.00 2.63 0.08 0.01 0.00 0.00 0.00 96.95 0.33 29 L E E 22.54 17.26 17.35 35.24 125.52 -169.59 -117.96 139.95 0.29 99.71 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 30 I E E 52.78 10.63 23.57 34.96 118.23 -148.72 -107.71 128.92 0.53 99.47 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.46 0.03 31 F E E 16.92 20.48 14.72 35.66 116.11 -140.16 -88.83 137.00 18.23 81.76 0.02 18.27 0.30 0.02 0.00 0.01 0.00 80.62 0.78 32 L C S 65.09 9.91 19.88 30.81 96.29 -156.44 -81.23 -25.36 98.83 1.14 0.03 14.40 83.88 0.64 0.01 0.01 0.00 1.00 0.06 33 N C S 57.32 6.30 20.41 27.40 137.80 9.83 -146.58 162.29 98.95 0.78 0.27 20.11 78.61 0.43 0.20 0.04 0.00 0.21 0.40 34 R H H 156.74 4.24 16.03 22.00 91.50 -104.81 -61.60 -35.27 3.03 0.01 96.96 0.25 0.45 2.15 95.98 1.16 0.01 0.00 0.00 35 K H H 129.66 2.49 20.44 22.70 91.42 54.43 -64.50 -40.02 2.17 0.01 97.83 0.18 0.17 1.66 96.65 1.32 0.01 0.00 0.00 36 A H H 8.35 18.14 14.07 32.92 91.86 50.00 -65.01 -41.80 0.84 0.01 99.16 0.16 0.08 0.50 97.98 1.27 0.00 0.00 0.00 37 S H H 27.07 12.59 16.59 30.08 91.73 52.56 -62.69 -42.18 0.41 0.00 99.58 0.10 0.03 0.21 99.33 0.33 0.00 0.00 0.00 38 V H H 76.50 2.32 21.62 22.71 91.57 50.22 -63.56 -41.79 0.58 0.01 99.41 0.07 0.04 0.40 99.08 0.41 0.00 0.00 0.00 39 H H H 52.54 8.61 16.92 27.27 91.91 50.31 -65.21 -41.14 1.16 0.01 98.84 0.12 0.07 0.84 98.24 0.71 0.00 0.00 0.00 40 Y H H 40.72 17.63 13.06 30.37 92.68 50.16 -65.32 -40.91 2.89 0.02 97.09 0.26 0.16 2.37 96.07 1.13 0.00 0.01 0.00 41 L H H 100.56 5.61 16.47 23.16 91.76 51.21 -66.98 -31.12 11.12 0.05 88.83 0.53 0.59 10.07 87.83 0.90 0.03 0.02 0.02 42 N C T 104.97 2.23 15.88 18.11 94.60 50.91 -87.58 -0.32 79.18 0.12 20.70 1.39 3.77 71.80 21.83 1.06 0.01 0.04 0.11 43 K C T 145.30 4.14 15.15 20.77 95.64 -116.07 63.09 33.05 95.63 0.11 4.25 7.03 4.32 84.18 3.76 0.60 0.00 0.05 0.06 44 W C C 96.17 10.93 12.20 24.28 115.76 159.99 -85.53 135.45 97.72 1.23 1.05 86.86 8.75 1.72 0.66 0.33 0.00 0.36 1.31 45 N C C 63.87 7.18 18.34 26.83 108.13 -134.97 -99.05 110.34 99.39 0.19 0.42 96.62 2.54 0.32 0.24 0.10 0.00 0.06 0.12 46 P H G 26.54 19.29 11.87 31.46 91.72 -156.40 -63.63 -23.84 21.93 0.46 77.61 6.30 2.60 11.74 5.99 72.96 0.00 0.31 0.11 47 R H G 132.48 7.23 16.54 24.96 90.72 67.75 -68.11 -18.62 20.31 1.04 78.64 3.21 2.54 13.74 6.35 73.08 0.00 0.90 0.16 48 K H G 138.15 2.62 18.47 21.29 94.53 56.70 -87.99 -7.00 18.98 2.26 78.75 5.68 3.57 9.93 6.91 71.65 0.01 1.93 0.32 49 I C C 30.24 18.51 9.39 27.35 112.60 101.77 -85.89 126.25 73.02 6.52 20.46 46.84 21.91 4.56 15.04 5.16 0.03 3.39 3.08 50 R C C 157.65 3.55 20.03 24.37 97.08 -158.84 -74.13 -22.29 60.41 6.36 33.24 31.70 13.88 14.57 28.08 5.54 0.06 4.53 1.63 51 W C H 78.17 13.72 16.18 30.03 96.43 62.13 -85.31 -3.66 56.01 8.24 35.75 27.78 12.85 15.43 30.23 5.70 0.09 6.31 1.62 52 T C H 24.45 15.33 15.64 31.50 109.03 95.31 -78.60 130.79 46.77 10.85 42.38 34.94 6.97 5.29 38.79 3.81 0.02 8.37 1.80 53 L H H 66.05 9.75 18.14 28.62 93.95 47.44 -65.10 -38.21 14.16 5.99 79.85 8.00 2.78 3.78 76.82 2.26 0.03 5.97 0.36 54 A H H 46.48 5.29 18.83 25.06 92.21 52.44 -65.18 -41.15 9.95 6.15 83.90 5.03 1.52 3.49 80.65 2.47 0.02 6.59 0.22 55 S H H 27.78 8.98 15.79 26.65 92.20 49.62 -65.75 -40.86 9.52 6.95 83.53 5.32 1.44 3.10 79.76 2.79 0.03 7.33 0.24 56 R H H 62.01 11.23 13.07 25.43 92.34 52.04 -65.26 -40.61 9.18 6.37 84.45 5.32 1.34 2.86 81.00 2.53 0.02 6.67 0.26 57 R H H 135.23 3.39 14.49 18.96 92.33 51.08 -65.38 -39.46 10.68 4.86 84.46 5.23 1.43 4.20 80.73 2.93 0.03 5.17 0.27 58 A H H 77.10 2.26 13.59 16.52 92.41 52.27 -67.70 -31.11 17.89 2.50 79.61 4.86 2.24 10.72 76.04 3.14 0.14 2.54 0.32 59 R C T 132.25 4.48 11.74 17.62 96.24 47.37 -90.49 -0.62 58.91 0.99 40.10 4.82 4.72 47.09 39.49 2.79 0.04 0.75 0.29 60 G C T 55.87 2.45 12.41 15.96 98.18 -113.02 74.19 15.09 83.95 0.84 15.21 12.50 7.97 62.16 14.57 1.99 0.00 0.60 0.22 61 K C C 119.94 4.54 11.16 17.29 107.49 122.50 -93.74 52.00 77.65 3.39 18.96 54.54 12.31 9.98 15.89 3.82 0.00 2.49 0.98 62 E C C 115.03 5.38 11.35 18.09 113.25 -93.74 -94.40 116.88 73.97 5.77 20.26 54.38 10.61 8.25 16.75 4.08 0.00 4.75 1.18 63 V C C 89.84 5.80 11.09 18.39 112.36 -155.46 -97.19 124.06 68.76 8.41 22.84 54.70 8.54 4.56 20.26 3.33 0.00 7.20 1.41 64 I C C 109.71 4.48 11.18 17.20 113.08 -156.66 -96.48 122.89 64.40 10.42 25.18 51.94 7.22 4.01 23.03 3.10 0.01 9.28 1.42 65 V C C 88.75 5.60 10.16 17.30 114.71 -155.83 -96.66 131.82 61.05 10.25 28.70 48.68 6.75 4.21 26.29 3.44 0.01 9.52 1.10 66 K C C 137.21 3.32 11.02 15.79 111.81 -136.38 -87.15 127.15 58.18 10.84 30.98 45.60 6.02 5.27 27.70 4.24 0.01 9.88 1.28 67 A C C 69.59 5.49 8.49 15.49 112.44 -148.76 -93.85 122.57 58.15 8.87 32.97 43.05 7.57 6.47 28.73 5.12 0.02 7.87 1.18 68 R C C 163.06 2.72 10.16 14.34 109.67 -151.15 -93.49 116.95 61.38 8.66 29.97 43.01 9.88 7.39 25.91 5.06 0.02 7.40 1.32 69 E C C 134.98 2.94 9.67 14.32 112.41 -133.99 -91.49 124.49 66.37 8.72 24.91 48.72 9.94 6.55 21.43 4.50 0.01 7.56 1.28 70 R C C 157.59 3.63 8.85 14.37 114.92 -151.37 -95.84 128.14 69.80 9.97 20.22 54.27 9.13 5.17 18.01 3.28 0.01 8.50 1.64 71 V C C 102.31 3.87 8.74 14.43 116.61 -150.87 -100.85 130.73 71.04 11.64 17.32 59.08 6.97 3.98 15.64 2.55 0.01 9.41 2.36 72 T C C 96.92 3.40 8.72 14.05 118.06 -160.00 -106.97 135.18 74.29 10.03 15.68 59.24 9.14 4.96 13.97 2.56 0.00 8.00 2.12 73 R C C 163.83 2.97 8.51 13.41 115.98 -153.90 -103.03 131.54 76.10 8.84 15.07 55.48 13.83 6.12 12.96 2.87 0.01 6.94 1.80 74 K C C 150.92 2.19 9.69 13.51 115.60 -149.65 -94.80 134.63 76.23 9.36 14.41 58.93 10.99 5.64 12.00 2.94 0.01 7.80 1.69 75 A C C 78.02 4.37 8.05 14.23 115.64 -125.56 -86.13 135.57 76.28 11.54 12.18 61.52 9.74 4.25 10.36 2.34 0.00 9.65 2.13 76 V C C 104.07 3.45 9.06 14.36 117.68 -154.49 -106.14 131.85 75.73 14.26 10.00 64.64 7.92 2.31 9.12 1.47 0.00 11.96 2.58 77 V C C 113.24 2.91 9.58 14.31 116.21 -149.72 -100.25 128.81 75.22 14.27 10.51 61.78 9.38 3.11 9.49 1.68 0.00 12.33 2.23 78 S C C 71.60 5.04 8.45 15.27 117.99 -157.68 -106.08 134.59 76.27 12.10 11.63 60.96 10.34 4.10 9.75 2.59 0.00 9.95 2.31 79 K C C 152.36 2.53 10.24 14.40 113.49 -156.06 -100.65 121.73 74.41 10.35 15.25 59.73 8.63 5.49 11.70 4.02 0.01 8.16 2.27 80 R C C 148.27 4.58 9.64 16.06 117.27 -164.91 -102.20 137.45 65.25 10.09 24.67 44.49 11.20 9.69 15.56 9.15 0.03 7.69 2.18 81 N C C 111.59 3.39 11.48 16.43 112.77 -133.35 -85.24 131.21 63.91 11.93 24.16 40.93 11.78 11.59 13.76 10.19 0.03 9.43 2.30 82 F C C 117.79 7.54 9.02 17.72 108.75 -164.08 -100.55 77.88 59.32 18.08 22.60 41.98 8.56 8.57 12.75 9.86 0.04 13.73 4.52 83 L C T 115.99 3.72 10.50 16.00 112.74 123.79 -89.15 132.56 69.16 16.61 14.24 20.92 11.01 38.16 9.22 4.87 0.10 12.58 3.12 84 S C T 95.06 1.35 13.38 14.59 98.83 11.49 44.33 21.10 80.67 10.66 8.67 18.61 16.83 46.07 4.79 3.63 0.02 8.71 1.33 85 I C C 64.12 10.10 7.41 18.35 120.34 129.75 -95.70 141.64 87.29 10.92 1.79 69.57 16.98 1.00 1.59 0.49 0.00 7.41 2.96 86 D C C 83.08 2.11 15.15 17.08 120.60 -127.90 -83.62 162.22 84.81 13.68 1.51 83.99 1.70 0.36 1.44 0.19 0.00 5.24 7.08 87 D H H 96.52 5.17 10.71 17.69 92.29 -107.57 -59.79 -37.52 1.84 0.02 98.15 0.52 0.24 0.94 97.83 0.46 0.00 0.01 0.00 88 S H H 80.46 1.12 14.32 14.63 92.25 52.73 -65.46 -39.92 0.95 0.01 99.03 0.20 0.08 0.59 98.60 0.52 0.00 0.01 0.00 89 K H H 112.90 2.72 14.76 18.03 92.30 49.24 -66.67 -39.90 0.46 0.01 99.53 0.15 0.04 0.24 99.08 0.48 0.00 0.01 0.00 90 L H H 49.29 8.72 11.64 22.13 92.26 51.27 -64.21 -42.30 0.31 0.01 99.68 0.11 0.03 0.14 99.53 0.19 0.00 0.00 0.00 91 E H H 99.78 3.22 15.68 19.55 91.96 50.66 -64.33 -40.62 0.50 0.01 99.49 0.13 0.04 0.27 99.41 0.15 0.00 0.00 0.00 92 A H H 54.14 2.12 15.38 17.59 91.73 51.10 -63.82 -41.64 1.09 0.01 98.90 0.23 0.08 0.65 98.76 0.27 0.00 0.00 0.00 93 L H H 74.76 4.64 13.88 20.05 92.42 50.22 -65.60 -39.86 2.90 0.02 97.07 0.61 0.24 1.85 96.76 0.53 0.00 0.01 0.01 94 K H H 99.72 6.07 12.74 20.27 92.47 51.98 -66.38 -36.72 8.12 0.07 91.82 1.62 0.81 5.41 91.32 0.78 0.01 0.02 0.03 95 S H H 76.61 1.95 13.11 15.45 94.00 52.48 -73.67 -24.89 33.25 0.31 66.44 6.71 3.78 22.40 65.24 1.54 0.03 0.12 0.17 96 K C H 140.21 1.99 12.19 14.89 97.01 59.25 -78.40 -20.36 50.98 1.09 47.93 17.36 10.18 24.32 44.20 2.90 0.05 0.45 0.55 97 Y C C 145.95 3.90 10.36 15.82 105.24 61.21 -86.70 16.79 62.60 2.13 35.28 33.80 16.94 12.29 31.23 3.83 0.02 0.95 0.93 98 S C C 69.72 4.40 9.09 15.27 109.30 82.87 -82.31 118.30 74.02 3.32 22.66 53.39 7.98 11.54 19.41 4.43 0.00 2.17 1.08 99 R C C 165.22 2.53 9.89 14.05 108.32 -149.03 -88.09 101.54 75.28 8.86 15.86 52.64 10.90 10.87 12.29 4.33 0.01 5.89 3.07 100 V C C 101.52 4.14 7.52 13.51 111.10 -153.09 -91.82 119.31 85.36 6.99 7.65 76.37 2.70 6.12 6.12 1.57 0.00 4.37 2.75 101 N C C 123.51 2.14 11.41 14.87 106.77 -145.87 -87.22 82.98 99.82 0.10 0.08 99.62 0.14 0.12 0.04 0.00 0.00 0.05 0.01