# 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 122.46 4.59 11.43 17.73 116.20 -163.33 -101.92 134.47 99.57 0.39 0.04 99.56 0.12 0.05 0.02 0.00 0.00 0.20 0.05 1 A C C 79.11 3.70 8.90 14.45 113.90 -143.84 -90.16 130.95 87.61 8.33 4.06 81.31 1.83 4.85 1.94 1.47 0.00 6.30 2.29 2 H C C 144.83 2.57 8.32 12.86 116.15 -153.00 -98.95 133.07 79.37 15.33 5.30 51.86 19.03 8.63 2.31 3.07 0.01 11.05 4.05 3 K C C 145.92 2.75 8.84 13.56 115.27 -137.83 -95.58 131.68 78.85 15.80 5.35 56.57 15.63 6.21 2.40 3.12 0.01 11.15 4.90 4 K C C 151.67 2.53 9.51 14.02 113.66 -131.42 -84.31 136.00 83.50 10.24 6.27 46.79 16.99 20.18 2.39 3.60 0.01 7.63 2.41 5 G C C 52.12 3.58 9.75 15.00 114.73 -106.60 -95.22 158.95 87.76 6.01 6.24 43.26 22.41 22.94 2.06 3.79 0.01 3.76 1.78 6 A C C 78.51 3.76 9.57 15.06 111.29 -119.82 -86.63 134.21 80.26 6.51 13.23 50.39 18.68 11.31 5.85 7.34 0.01 3.73 2.67 7 S C C 79.46 3.39 10.22 15.26 112.27 -134.91 -90.08 137.03 73.71 5.73 20.55 42.97 17.23 13.91 8.86 11.51 0.03 3.26 2.24 8 S C C 82.46 3.42 10.76 15.74 103.50 -134.16 -85.57 10.52 68.21 6.57 25.22 37.41 17.19 14.44 10.55 14.12 0.05 3.94 2.30 9 S C C 68.75 5.16 10.53 17.28 109.35 103.50 -91.25 100.25 68.02 8.01 23.98 41.04 14.80 12.53 11.34 12.51 0.04 5.00 2.74 10 R C C 148.84 4.72 11.08 17.42 105.83 86.32 -90.12 49.89 69.36 8.64 22.00 37.67 16.17 16.26 11.75 9.73 0.06 5.09 3.28 11 N C C 102.84 4.83 12.38 18.55 105.68 51.76 -90.87 64.33 79.51 5.22 15.27 32.33 21.40 27.02 7.44 6.90 0.03 2.88 2.00 12 G C C 44.17 6.57 12.29 20.04 104.82 -96.36 79.28 7.69 85.74 3.65 10.61 39.16 24.28 23.14 4.23 5.74 0.01 1.87 1.57 13 R C C 131.96 5.89 12.69 20.12 115.64 128.86 -92.92 136.65 76.58 7.41 16.00 49.48 16.58 10.49 8.88 7.08 0.02 3.76 3.70 14 D C C 90.45 6.27 12.56 20.20 109.60 -127.69 -86.43 117.14 74.78 4.66 20.56 51.26 12.48 11.01 10.86 9.74 0.01 2.65 1.99 15 S C C 66.09 7.17 12.48 20.78 106.11 -165.01 -89.52 44.63 61.48 3.22 35.29 33.04 13.12 16.06 15.15 19.47 0.04 1.70 1.42 16 A C C 73.44 4.96 15.28 21.10 100.98 76.57 -83.45 3.05 56.58 3.44 39.98 27.44 13.01 17.31 15.45 23.46 0.08 1.83 1.43 17 A C C 44.68 12.00 13.21 25.65 114.82 110.50 -83.47 139.31 54.74 4.52 40.74 32.33 11.62 12.12 13.39 26.39 0.03 2.71 1.41 18 Q C C 89.62 9.46 17.41 27.36 115.02 -139.97 -95.61 131.81 62.16 10.28 27.57 38.43 14.73 10.51 9.23 17.45 0.04 7.47 2.14 19 R C C 105.83 12.06 18.74 30.56 121.13 -148.39 -104.13 137.15 58.30 28.91 12.79 41.68 11.03 6.50 4.62 7.87 0.03 24.61 3.65 20 L E E 50.40 16.22 18.35 34.17 122.99 -160.03 -106.82 141.32 47.22 51.12 1.66 39.12 5.95 1.56 0.81 0.85 0.00 49.53 2.16 21 G E E 15.20 13.56 21.93 35.47 142.11 147.85 -144.83 -173.07 18.57 80.02 1.41 14.70 3.20 1.15 0.71 0.65 0.00 78.62 0.98 22 V E E 37.47 18.46 17.31 35.27 118.19 -79.27 -100.30 133.00 9.70 87.81 2.48 8.02 1.21 0.77 1.76 0.72 0.01 86.78 0.74 23 K E E 102.54 8.54 20.79 29.82 99.93 -173.45 -94.41 -28.16 13.15 84.21 2.64 8.41 4.06 1.44 1.56 0.92 0.01 82.98 0.62 24 R E E 93.60 9.67 19.34 29.67 134.36 12.85 -141.53 144.67 19.32 77.29 3.39 16.23 2.26 1.01 1.78 1.55 0.01 75.54 1.62 25 F C C 83.43 13.19 15.14 28.55 126.12 -167.84 -122.34 139.11 53.11 38.41 8.48 44.84 4.41 3.67 0.83 7.58 0.00 36.59 2.08 26 G C T 44.70 7.07 16.27 24.23 99.28 -5.67 57.73 62.43 87.36 3.86 8.79 1.00 5.86 81.54 0.31 8.19 0.00 2.81 0.29 27 G C T 51.37 4.46 16.62 22.07 96.54 -21.57 82.30 0.04 90.36 1.59 8.05 2.24 8.41 79.81 0.18 7.80 0.00 1.44 0.13 28 Q C C 83.16 7.87 15.70 25.09 120.26 129.61 -85.09 147.08 88.49 11.43 0.08 74.39 13.17 0.37 0.01 0.10 0.00 11.53 0.44 29 V E E 87.86 7.09 20.23 28.21 115.60 -121.79 -88.33 132.32 9.91 90.09 0.00 9.93 0.24 0.01 0.00 0.00 0.00 86.61 3.21 30 V E E 10.94 22.91 11.89 34.58 125.40 -170.09 -119.90 143.09 2.21 97.79 0.00 2.43 0.02 0.00 0.00 0.00 0.00 94.04 3.51 31 K C C 118.94 3.14 23.74 26.68 121.60 -135.81 -92.18 151.45 61.24 38.75 0.01 62.69 0.35 0.03 0.00 0.00 0.00 35.89 1.04 32 A C T 53.60 12.70 14.57 27.60 109.62 -85.69 -59.19 134.53 99.32 0.59 0.10 0.07 1.23 98.33 0.00 0.05 0.00 0.28 0.03 33 G C T 40.85 5.71 20.38 27.02 95.86 24.72 89.34 -6.24 99.76 0.19 0.05 0.12 1.67 98.03 0.00 0.04 0.00 0.12 0.01 34 E C C 72.22 10.13 20.15 31.05 117.93 124.71 -78.05 142.89 89.55 10.42 0.03 86.18 2.92 0.09 0.00 0.03 0.00 10.35 0.43 35 I E E 47.54 16.43 20.91 37.00 110.63 -118.30 -78.99 124.18 3.64 96.36 0.00 3.82 0.08 0.01 0.00 0.00 0.00 95.24 0.84 36 L E E 8.97 22.73 21.77 44.31 100.76 176.63 -94.52 -33.04 2.50 97.50 0.00 1.43 1.00 0.05 0.00 0.00 0.00 97.49 0.03 37 V E E 6.82 22.79 22.27 45.01 137.64 4.23 -150.33 147.40 1.22 98.76 0.02 0.94 0.20 0.06 0.00 0.02 0.00 98.72 0.05 38 R E E 82.98 13.49 24.33 37.21 124.05 -159.02 -121.12 132.33 4.58 95.39 0.04 3.82 0.53 0.11 0.01 0.03 0.00 95.31 0.19 39 Q E E 39.93 18.48 16.69 34.57 116.44 -147.12 -98.63 127.53 27.98 71.78 0.23 23.48 3.26 0.72 0.05 0.21 0.00 71.46 0.82 40 R C C 124.09 7.53 18.52 26.93 116.46 -170.89 -109.88 129.35 73.01 26.27 0.72 48.20 17.35 7.17 0.10 0.78 0.00 25.05 1.35 41 G C S 37.41 5.97 17.69 24.52 124.41 15.64 112.29 -174.78 90.62 8.69 0.69 31.82 45.78 12.96 0.06 0.81 0.00 7.73 0.84 42 T C C 84.02 8.23 15.25 24.43 102.52 -79.20 -93.03 1.18 88.78 10.06 1.16 44.93 35.99 8.29 0.13 1.27 0.00 8.08 1.31 43 H C C 122.83 4.77 19.62 25.04 108.41 71.45 -93.97 78.40 80.84 18.28 0.88 53.70 21.02 5.91 0.13 1.00 0.00 16.13 2.11 44 F C C 40.32 20.38 11.73 31.13 120.65 108.90 -105.22 134.56 61.14 38.42 0.44 51.60 7.94 0.95 0.17 0.32 0.00 24.28 14.72 45 H C C 103.88 6.01 21.91 28.49 116.49 -158.45 -108.61 124.74 86.28 13.63 0.09 81.44 4.61 0.34 0.02 0.07 0.00 11.52 2.00 46 P C C 65.59 13.44 14.84 28.18 112.33 -113.85 -66.53 142.37 89.46 9.10 1.44 43.67 20.65 25.28 0.21 1.42 0.00 7.11 1.66 47 G C C 30.77 8.48 17.86 27.22 133.98 92.35 106.42 -168.71 91.34 6.92 1.74 33.96 31.31 26.29 0.21 1.90 0.00 4.14 2.20 48 V C T 105.03 3.84 20.39 24.58 101.94 -54.26 -75.09 18.54 92.84 5.61 1.55 4.18 30.32 59.00 0.09 1.52 0.00 3.88 1.01 49 N C T 51.76 14.70 17.70 32.00 97.03 32.51 -92.27 5.42 90.66 8.72 0.62 8.72 24.13 57.72 0.03 0.72 0.00 8.26 0.43 50 V E E 19.12 21.78 14.54 35.91 125.49 89.17 -110.62 139.18 14.48 85.49 0.03 12.34 1.52 0.10 0.01 0.02 0.00 85.50 0.52 51 G E E 22.11 8.30 23.93 32.88 141.56 166.28 -152.05 175.97 0.80 99.19 0.00 0.71 0.04 0.00 0.00 0.00 0.00 99.20 0.05 52 R E E 122.91 10.73 17.32 28.75 122.69 -104.53 -110.45 138.53 1.58 98.42 0.00 1.56 0.05 0.00 0.00 0.00 0.00 98.07 0.32 53 G C C 22.48 12.01 12.32 25.03 125.85 -151.90 -95.33 176.08 80.21 19.72 0.07 77.90 1.25 0.20 0.01 0.05 0.00 20.04 0.55 54 G C T 62.49 1.07 15.88 16.14 95.05 -86.41 -62.98 -30.57 93.74 2.56 3.70 1.85 17.31 74.05 0.07 4.46 0.00 1.87 0.40 55 D C T 100.69 3.32 16.04 19.99 96.44 47.69 -90.56 8.47 96.58 0.23 3.19 0.85 12.81 82.04 0.04 4.05 0.00 0.13 0.06 56 D C S 60.30 12.67 15.62 28.49 94.91 -106.13 72.30 21.43 94.84 1.82 3.34 10.48 51.30 32.19 0.10 4.27 0.00 1.36 0.31 57 T E E 25.07 12.45 20.41 34.23 122.42 134.55 -94.07 144.45 46.24 53.75 0.02 45.51 0.94 0.06 0.00 0.01 0.00 52.66 0.82 58 L E E 4.30 25.01 19.11 44.95 115.84 -132.49 -94.27 131.82 0.27 99.73 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.71 0.02 59 F E E 47.44 12.23 27.14 39.95 127.05 -169.43 -122.22 140.96 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.01 60 A E E 6.77 23.55 15.46 39.53 112.18 -117.20 -78.40 128.98 3.62 96.38 0.00 3.74 0.05 0.00 0.00 0.00 0.00 95.92 0.29 61 L C S 77.70 7.27 23.32 31.45 96.28 -165.91 -87.63 -20.71 93.24 6.72 0.04 22.51 68.99 1.30 0.00 0.05 0.00 6.96 0.19 62 A C S 41.61 6.44 22.59 29.76 136.92 23.06 -140.45 160.18 95.04 4.92 0.05 2.02 91.52 2.00 0.00 0.04 0.00 4.22 0.21 63 P C C 73.81 7.42 21.13 29.07 114.32 -86.58 -64.51 143.76 95.23 4.68 0.09 47.10 44.89 2.78 0.00 0.13 0.00 4.89 0.20 64 G E E 10.87 11.27 20.71 33.91 143.55 93.33 164.97 -172.56 14.51 85.48 0.02 11.66 2.53 0.15 0.00 0.02 0.00 85.17 0.48 65 A E E 30.26 10.50 24.77 36.38 127.49 -65.71 -120.64 145.50 0.90 99.10 0.00 0.84 0.02 0.00 0.00 0.00 0.00 99.09 0.05 66 V E E 8.17 24.54 16.55 41.52 118.27 -139.14 -101.48 129.43 0.33 99.67 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.68 0.00 67 E E E 69.08 9.68 24.97 34.86 122.57 -166.81 -116.92 136.45 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 68 F E E 53.62 18.33 16.27 33.88 123.95 -155.83 -109.81 139.18 1.09 98.91 0.00 0.95 0.03 0.00 0.00 0.00 0.00 99.00 0.02 69 G E E 19.49 7.21 19.76 28.56 141.46 137.16 -159.52 -173.62 2.29 97.70 0.01 1.77 0.26 0.03 0.00 0.00 0.00 97.90 0.03 70 A E E 62.94 7.27 13.81 22.81 123.30 -93.49 -117.25 138.48 4.95 95.01 0.03 3.94 0.58 0.08 0.00 0.02 0.00 95.30 0.08 71 K E E 104.93 6.27 10.22 18.52 122.30 173.48 -134.73 126.39 12.88 86.90 0.23 8.79 2.88 1.20 0.04 0.20 0.00 86.45 0.45 72 R C T 206.09 0.43 11.89 10.91 93.44 -13.39 51.95 42.12 98.69 0.84 0.47 2.42 7.26 89.07 0.03 0.44 0.00 0.71 0.07 73 G C T 65.47 0.79 11.39 11.90 95.16 -47.70 78.62 2.87 99.44 0.23 0.32 1.81 7.30 90.33 0.01 0.34 0.00 0.18 0.03 74 R E E 128.69 3.96 12.07 18.08 124.68 104.94 -112.66 143.16 11.42 88.54 0.04 7.53 3.35 0.47 0.00 0.03 0.00 88.29 0.31 75 K E E 97.81 9.82 13.10 24.08 114.65 -125.88 -86.15 131.52 4.55 95.44 0.00 3.92 0.19 0.01 0.00 0.00 0.00 95.84 0.04 76 T E E 38.48 10.27 18.17 30.01 128.55 -175.52 -126.80 146.81 1.42 98.58 0.00 1.24 0.04 0.00 0.00 0.00 0.00 98.70 0.02 77 V E E 27.62 19.38 15.63 34.98 121.85 -155.11 -116.91 131.76 0.79 99.21 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.29 0.01 78 N E E 58.14 9.02 23.98 33.40 126.45 -168.78 -121.76 142.69 1.25 98.75 0.00 1.06 0.06 0.00 0.00 0.00 0.00 98.87 0.01 79 I E E 34.41 20.02 16.16 36.03 118.40 -144.80 -106.63 127.89 2.66 97.34 0.00 2.40 0.13 0.01 0.00 0.00 0.00 97.35 0.11 80 V E E 44.60 10.09 19.66 31.08 120.75 -169.60 -118.85 130.22 11.05 88.95 0.01 10.22 0.50 0.02 0.00 0.00 0.00 88.92 0.34 81 P E E 71.17 8.33 18.20 27.21 114.08 -113.47 -67.36 144.18 29.24 70.59 0.17 26.01 2.39 0.35 0.04 0.13 0.00 70.31 0.78 82 V C C 58.35 14.06 11.46 25.47 113.22 -126.07 -85.98 132.95 86.75 11.01 2.23 63.76 16.27 6.34 0.39 2.05 0.00 9.91 1.29 83 A C C 74.10 3.90 14.04 19.35 114.07 -133.20 -89.70 139.23 91.31 6.35 2.33 57.43 26.24 7.81 0.44 2.11 0.00 4.35 1.61 84 R C C 153.93 4.38 10.68 17.19 115.26 -120.79 -88.46 136.34 94.03 3.90 2.07 65.71 24.66 3.85 0.51 1.54 0.00 2.55 1.17 85 P C C 90.74 5.13 8.76 15.75 112.05 -110.79 -71.74 148.00 94.16 3.11 2.74 74.99 8.85 10.20 0.61 2.26 0.00 2.22 0.87 86 E C C 154.13 1.49 9.66 12.41 111.23 -119.33 -86.75 133.81 95.11 2.88 2.01 88.34 1.16 6.35 0.51 0.97 0.00 1.69 0.97 87 A C C 81.00 3.83 9.79 15.32 110.31 -107.41 -81.68 127.69 99.94 0.05 0.01 99.87 0.06 0.03 0.00 0.00 0.00 0.02 0.00