# 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 102.73 6.67 11.86 19.64 113.28 -153.47 -92.98 133.12 98.75 0.51 0.74 98.30 0.33 0.31 0.60 0.07 0.00 0.25 0.15 1 A H H 71.07 3.83 10.05 15.40 101.66 -117.06 -74.39 -21.93 48.34 1.70 49.95 43.48 1.39 4.70 46.10 2.79 0.00 1.05 0.49 2 N H H 108.57 2.58 9.30 13.42 99.56 55.52 -75.00 -21.48 30.44 3.36 66.20 20.55 4.72 7.29 58.48 5.67 0.03 2.63 0.63 3 L H H 108.62 3.17 9.05 13.84 98.65 59.30 -77.37 -19.61 20.93 5.81 73.26 13.21 3.86 5.91 62.87 8.14 0.06 5.19 0.76 4 F H H 131.34 3.23 9.98 14.74 101.39 58.76 -84.97 -7.86 17.84 7.12 75.05 11.52 3.39 4.87 65.36 7.44 0.08 6.42 0.90 5 I H H 100.89 4.07 10.04 15.76 107.72 57.11 -86.07 96.21 17.75 7.39 74.86 12.10 2.93 4.42 67.30 5.44 0.07 6.97 0.78 6 R H H 140.85 4.11 11.07 16.71 108.21 52.98 -87.95 74.74 21.90 6.77 71.33 13.47 3.18 6.44 64.24 5.45 0.07 6.36 0.80 7 K H H 127.65 4.16 11.30 16.88 103.44 55.16 -82.66 6.62 28.42 5.52 66.06 14.64 3.98 10.61 59.62 5.37 0.09 4.80 0.89 8 M H H 117.61 3.91 11.44 16.68 100.80 55.07 -82.73 -10.98 38.86 4.98 56.16 20.72 5.94 13.34 50.74 4.33 0.09 3.67 1.18 9 V C H 87.91 5.23 11.44 18.14 108.61 57.39 -87.24 99.57 55.76 5.10 39.13 32.95 11.52 11.13 37.13 2.73 0.06 2.90 1.59 10 N C C 87.16 5.46 12.41 19.28 111.00 -116.86 -96.10 119.13 72.50 2.56 24.94 52.40 12.53 6.66 21.86 4.28 0.00 1.51 0.76 11 P H H 78.55 6.34 12.40 19.99 100.55 -122.64 -70.24 -16.81 45.95 2.85 51.20 26.72 6.59 12.57 34.92 16.48 0.03 1.97 0.73 12 L H H 96.66 6.11 13.57 20.70 97.85 63.98 -76.83 -18.50 27.98 5.59 66.43 13.82 4.80 9.40 41.12 25.29 0.09 4.57 0.90 13 L H H 85.10 7.82 13.85 22.62 98.45 64.57 -76.98 -19.33 21.36 7.26 71.39 10.60 4.07 7.19 40.45 30.59 0.07 6.19 0.84 14 Y H H 117.91 8.02 14.11 22.97 101.03 59.54 -87.91 -0.44 25.37 11.46 63.17 11.69 4.77 9.46 36.67 26.33 0.16 9.60 1.32 15 L H H 84.50 8.73 13.59 23.09 105.49 68.74 -84.40 44.37 34.92 12.87 52.21 16.17 7.49 12.67 33.68 17.51 0.43 9.54 2.51 16 S C C 53.02 8.71 13.17 22.87 109.05 87.51 -88.49 109.74 53.43 10.01 36.56 26.14 11.59 16.96 25.14 10.41 0.25 6.88 2.62 17 R C T 137.66 6.32 13.68 21.07 103.79 120.44 -85.09 11.12 61.32 6.34 32.35 22.19 15.43 24.52 20.69 10.95 0.24 3.95 2.02 18 H C C 119.16 5.69 13.14 20.04 104.86 78.39 -88.17 24.09 66.45 6.82 26.73 27.17 17.57 22.71 15.95 10.12 0.17 3.95 2.35 19 T C C 77.73 6.81 12.64 20.66 107.90 83.31 -92.94 62.51 73.85 8.31 17.84 39.21 16.48 18.68 10.66 7.13 0.06 5.00 2.78 20 V C C 82.16 8.22 12.05 21.39 111.00 125.74 -93.51 113.64 77.66 10.86 11.48 41.99 24.00 12.33 6.65 4.81 0.06 6.19 3.96 21 K C C 123.98 5.34 14.97 21.75 117.63 -142.31 -100.60 131.77 86.75 9.05 4.20 52.23 31.98 3.35 2.79 1.55 0.01 5.21 2.88 22 P C C 71.66 9.64 13.14 23.69 113.62 -113.82 -71.44 143.70 81.81 6.99 11.20 63.63 10.76 7.00 7.39 4.24 0.01 4.84 2.15 23 R C C 123.85 8.44 14.64 24.05 112.87 -146.69 -97.13 124.14 67.11 10.04 22.85 48.19 9.48 8.54 14.84 8.99 0.04 6.54 3.37 24 A C C 57.40 9.16 14.26 24.25 111.06 -138.36 -86.29 136.20 49.75 11.01 39.24 29.10 10.66 10.59 24.27 15.01 0.19 7.69 2.50 25 L H H 90.40 8.09 15.81 24.63 109.53 -146.96 -90.69 96.90 36.19 12.16 51.65 20.60 7.84 9.16 33.12 17.60 0.24 9.32 2.12 26 S H H 49.00 10.38 14.91 26.01 108.45 72.13 -87.26 107.56 28.54 10.62 60.85 17.73 5.48 6.75 38.48 21.22 0.12 8.77 1.46 27 T H H 60.88 10.87 14.81 26.18 106.41 55.83 -89.46 43.38 25.68 11.06 63.26 14.05 5.03 7.79 41.63 20.53 0.18 9.37 1.42 28 F H H 110.37 7.98 15.92 24.64 107.76 55.15 -89.94 81.65 26.53 10.56 62.91 12.63 5.57 9.59 42.58 19.01 0.36 8.61 1.63 29 L H H 86.11 8.50 14.85 24.14 108.77 55.56 -87.55 103.47 33.99 10.40 55.61 15.73 7.59 12.48 39.83 13.78 0.55 7.81 2.23 30 F C H 113.54 8.19 14.24 23.27 107.91 -132.08 -87.21 98.89 46.89 7.49 45.62 16.66 11.16 20.54 33.94 9.84 0.68 4.90 2.27 31 G C T 41.58 7.21 14.85 22.96 107.58 34.59 -59.93 1.42 62.31 5.84 31.85 23.97 14.92 24.40 22.20 8.87 0.26 3.43 1.95 32 S C C 60.20 8.02 14.24 23.23 109.88 61.28 -91.51 107.27 61.43 9.40 29.18 33.53 13.22 15.26 18.27 10.79 0.17 5.91 2.86 33 I C C 82.45 11.08 13.03 24.53 110.04 63.84 -90.70 113.16 58.97 11.79 29.24 31.08 12.99 15.85 16.92 11.88 0.27 7.52 3.49 34 R C C 143.50 5.96 15.28 22.44 111.16 -149.49 -90.29 116.12 66.33 9.76 23.91 27.04 14.93 25.54 12.83 10.33 0.24 6.22 2.88 35 G C C 47.71 6.27 15.18 22.36 111.31 2.85 -15.15 105.30 75.48 9.82 14.70 31.88 18.33 26.93 6.52 7.27 0.09 6.51 2.47 36 A C C 55.62 10.85 12.65 24.09 116.41 128.68 -95.74 135.06 75.30 17.57 7.13 44.17 22.65 9.16 3.21 3.94 0.05 11.53 5.28 37 A C C 62.36 6.95 15.96 24.09 120.10 -144.02 -101.40 139.35 79.49 18.95 1.55 52.94 25.21 2.21 0.65 0.99 0.00 14.42 3.58 38 P C C 73.44 10.18 13.45 24.40 113.45 -106.81 -68.49 144.95 74.55 20.05 5.40 60.07 8.34 5.11 2.08 3.47 0.01 16.26 4.66 39 V C C 81.87 8.88 13.12 23.09 113.87 -140.43 -95.26 133.89 74.85 16.39 8.75 45.97 17.02 12.50 2.75 6.05 0.04 11.46 4.22 40 A C C 72.04 5.78 13.86 20.97 114.36 -133.88 -92.45 132.20 76.52 15.88 7.60 43.22 21.38 12.87 2.36 5.21 0.04 11.00 3.93 41 V C C 82.85 8.45 11.47 21.16 116.92 -143.94 -102.48 130.25 81.47 12.80 5.73 49.66 24.75 7.34 2.49 3.30 0.02 7.88 4.55 42 E C C 116.84 4.88 12.84 19.37 116.06 -133.09 -93.56 132.51 91.61 4.62 3.77 66.31 20.77 4.64 2.04 1.75 0.00 2.76 1.73 43 P C C 94.29 5.28 11.41 18.40 108.72 -107.01 -65.81 139.26 76.25 2.38 21.37 35.08 12.36 29.45 11.41 9.37 0.02 1.33 1.00 44 G C C 53.37 3.73 13.11 17.82 102.04 20.20 81.70 -2.32 67.94 3.49 28.58 29.99 12.78 26.07 16.58 11.19 0.06 1.87 1.46 45 A C C 63.04 6.66 11.88 19.83 108.01 93.82 -88.92 81.26 51.54 6.91 41.55 30.02 11.61 10.58 26.58 14.80 0.11 4.33 1.97 46 A H H 64.70 6.30 13.64 21.21 109.86 58.02 -89.06 124.88 41.22 12.67 46.12 26.62 7.94 7.58 30.84 14.89 0.12 9.82 2.19 47 V H H 70.70 10.82 12.68 23.99 110.60 -150.23 -90.32 117.26 34.28 16.42 49.30 22.74 6.19 6.44 32.58 16.13 0.12 13.58 2.21 48 R H H 126.91 7.65 15.88 24.26 109.33 -148.18 -88.47 122.43 34.69 14.72 50.59 22.62 6.18 6.86 32.24 17.81 0.12 12.11 2.05 49 S H H 61.61 8.46 15.50 24.57 109.93 -125.11 -82.78 111.98 40.73 12.26 47.02 26.24 6.27 8.83 27.04 19.61 0.09 9.99 1.93 50 L C H 81.51 11.19 14.97 26.23 99.74 -140.57 -81.39 -14.91 48.43 10.27 41.30 20.32 10.48 18.81 23.26 17.05 0.40 7.10 2.60 51 L C C 72.60 12.28 13.30 25.62 106.04 62.65 -94.78 45.02 62.21 9.89 27.90 25.79 17.60 20.93 15.05 11.17 0.36 5.47 3.61 52 S C C 62.10 6.97 14.57 22.70 116.58 103.61 -89.43 138.28 90.72 6.06 3.23 53.23 32.22 5.78 1.26 1.87 0.00 3.33 2.30 53 P C C 95.45 5.54 13.36 20.32 106.71 -108.12 -73.17 119.41 89.67 4.78 5.55 48.22 21.55 20.22 1.17 4.46 0.00 3.00 1.39 54 G C C 45.26 5.56 13.94 20.76 119.67 36.24 -75.66 170.08 84.10 10.42 5.49 48.02 20.47 15.89 1.13 4.80 0.00 6.93 2.75 55 L C C 100.93 6.92 14.08 22.23 114.44 -67.59 -91.40 132.48 76.63 18.41 4.96 56.60 14.06 4.95 1.82 3.50 0.01 10.70 8.37 56 L C C 70.95 12.33 11.39 24.11 116.51 -130.80 -89.60 134.43 85.58 9.86 4.56 72.07 10.19 3.13 1.42 3.32 0.00 7.17 2.71 57 P C C 80.80 6.97 14.29 22.37 106.48 -116.77 -68.97 141.01 80.67 9.43 9.90 45.01 16.64 19.65 2.16 7.80 0.01 7.08 1.65 58 H C C 128.54 5.21 14.47 20.98 111.85 -44.00 -91.97 122.49 67.84 21.02 11.14 34.46 16.40 19.15 2.87 7.85 0.09 15.94 3.23 59 L C C 72.51 12.62 10.92 23.79 116.55 -150.20 -94.64 130.80 68.54 25.48 5.98 49.65 14.63 3.75 2.76 3.66 0.03 18.67 6.84 60 L C C 97.58 6.00 14.97 22.33 116.89 -144.05 -97.95 130.37 77.58 19.87 2.55 64.79 10.35 1.85 1.35 1.36 0.00 16.96 3.34 61 P C C 78.15 8.74 12.78 22.54 111.55 -113.66 -68.91 143.66 68.18 19.45 12.37 48.78 9.18 10.18 4.13 8.18 0.02 16.38 3.15 62 A C C 65.15 7.69 12.62 21.35 112.09 -157.28 -94.05 125.65 60.45 20.65 18.90 30.93 13.64 18.31 4.95 13.00 0.14 14.91 4.12 63 L C T 108.64 5.77 13.81 20.61 111.14 -112.21 -93.28 116.18 65.50 16.85 17.65 20.72 16.45 31.00 3.81 12.56 0.17 12.09 3.20 64 G C T 41.11 6.78 15.01 22.70 113.67 -48.20 100.84 -4.66 73.14 16.14 10.72 23.71 21.17 30.51 2.11 7.73 0.06 12.53 2.17 65 F C C 87.99 13.06 12.24 25.39 120.67 -92.70 -103.44 138.74 60.97 32.90 6.14 41.17 12.97 7.06 2.67 3.79 0.05 27.97 4.32 66 K E E 104.77 7.84 17.05 25.85 122.77 -159.15 -110.84 138.07 44.29 50.52 5.19 32.64 7.30 3.53 3.40 2.39 0.03 43.37 7.34 67 N C E 75.54 11.81 14.58 26.76 118.13 -144.97 -100.30 133.50 48.62 44.68 6.70 38.13 6.60 3.01 4.64 2.74 0.03 38.57 6.29 68 K C C 83.32 11.31 14.08 25.92 119.43 -159.67 -105.54 138.12 59.40 23.96 16.64 43.82 9.39 6.14 7.18 8.95 0.03 21.63 2.86 69 T C C 92.07 5.15 16.75 22.82 98.90 -153.28 -84.70 -16.27 64.76 15.25 19.99 32.56 21.74 12.14 6.97 11.63 0.13 12.84 1.98 70 V C C 75.57 6.97 17.57 25.27 120.90 47.35 -116.86 133.68 60.57 17.89 21.54 38.13 13.61 10.03 7.77 13.04 0.07 14.59 2.75 71 L C C 38.40 19.21 9.64 27.70 113.67 -125.29 -84.61 127.72 69.40 16.74 13.87 59.16 7.06 3.69 6.55 7.27 0.02 12.48 3.78 72 K C C 137.12 3.35 17.98 21.99 99.62 -169.63 -88.22 -29.80 79.54 11.26 9.20 50.97 21.05 8.07 3.87 5.30 0.04 8.28 2.43 73 K C C 118.42 4.79 18.25 23.92 124.81 14.98 -130.27 134.99 79.14 12.63 8.23 45.72 23.80 10.29 2.81 5.55 0.05 8.82 2.96 74 R C C 96.84 15.23 12.97 27.53 120.91 -149.80 -99.51 142.72 83.58 14.43 2.00 70.32 9.92 1.69 1.14 0.98 0.00 7.35 8.60 75 C C C 25.88 14.24 12.27 27.48 118.13 -109.99 -73.06 154.10 94.61 4.86 0.54 88.82 4.89 0.86 0.22 0.28 0.00 2.43 2.50 76 K C T 166.66 1.20 18.52 18.89 94.20 -101.93 -64.07 -25.93 97.25 2.08 0.67 2.39 20.75 74.43 0.06 0.55 0.00 1.36 0.46 77 D C T 74.70 8.24 15.90 25.22 96.53 44.02 -94.28 5.59 97.78 1.93 0.30 2.52 23.54 71.80 0.01 0.31 0.00 1.67 0.16 78 C E E 15.50 20.36 11.85 31.92 126.99 88.48 -112.50 150.09 29.34 70.63 0.03 25.12 3.34 0.15 0.00 0.03 0.00 70.74 0.62 79 Y E E 80.00 9.20 22.92 32.58 130.61 -163.64 -128.13 149.33 1.90 98.10 0.00 1.79 0.05 0.00 0.00 0.00 0.00 98.10 0.05 80 L E E 51.34 15.02 18.73 33.83 117.54 -128.34 -97.18 132.42 0.42 99.58 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.00 81 V E E 24.47 14.64 16.56 32.36 130.56 -176.18 -129.28 149.38 0.34 99.66 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 82 K E E 105.30 8.04 16.73 25.97 117.32 -135.63 -101.44 128.37 1.63 98.36 0.00 1.43 0.08 0.01 0.00 0.00 0.00 98.45 0.03 83 R E E 77.81 11.63 11.26 23.83 121.07 175.07 -133.43 121.68 11.07 88.78 0.15 7.20 2.47 1.09 0.01 0.16 0.00 88.68 0.38 84 R C T 189.90 1.40 13.80 15.40 92.89 -15.84 53.32 44.01 99.20 0.51 0.29 0.61 6.32 92.30 0.00 0.33 0.00 0.39 0.04 85 G C T 55.37 2.87 14.02 17.77 94.64 -49.20 79.69 2.12 99.56 0.24 0.20 0.69 7.10 91.77 0.00 0.24 0.00 0.17 0.02 86 R E E 94.09 8.78 15.59 25.75 128.92 103.79 -116.98 147.33 7.13 92.86 0.01 4.82 1.76 0.13 0.00 0.01 0.00 93.12 0.17 87 W E E 52.00 14.57 16.73 32.60 115.30 -125.42 -90.96 130.10 0.93 99.07 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.11 0.01 88 Y E E 27.44 15.79 20.17 36.82 130.80 -175.11 -127.11 148.85 0.15 99.85 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 89 V E E 11.01 19.70 20.19 40.49 118.18 -142.17 -107.89 128.60 0.15 99.85 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 90 Y E E 49.52 12.29 22.76 35.95 118.70 -163.63 -109.93 127.46 2.43 97.57 0.00 2.21 0.08 0.00 0.00 0.00 0.00 97.61 0.09 91 C E E 11.72 17.87 13.98 32.91 112.89 -155.22 -101.23 119.05 38.52 61.45 0.03 36.72 1.18 0.10 0.00 0.02 0.00 61.39 0.59 92 K C S 123.93 5.03 17.99 24.30 94.27 -162.36 -72.16 -22.20 93.80 5.91 0.29 14.49 49.28 29.62 0.04 0.24 0.00 6.09 0.24 93 T C S 92.66 3.01 16.60 20.05 97.95 48.15 -86.87 -22.25 96.60 3.03 0.38 5.13 63.57 27.95 0.04 0.28 0.00 2.62 0.40 94 H C C 65.68 9.44 10.86 21.99 110.89 43.99 -124.00 91.84 97.35 2.22 0.43 72.84 23.87 0.72 0.20 0.21 0.00 1.11 1.06 95 P C G 81.58 5.79 12.84 20.85 93.36 -174.74 -62.49 -28.51 50.22 0.77 49.01 12.55 5.98 30.11 12.74 37.84 0.01 0.44 0.33 96 R H G 150.90 3.25 16.16 20.35 91.91 64.16 -72.38 -15.21 45.31 1.01 53.68 8.48 6.68 28.62 16.12 38.94 0.06 0.57 0.53 97 H H G 50.02 13.63 11.57 25.77 98.91 67.63 -85.49 0.39 40.26 2.59 57.15 21.61 7.83 11.52 17.04 39.58 0.02 1.40 0.99 98 K C C 98.67 8.33 14.59 24.02 106.31 102.24 -75.17 111.89 56.13 4.12 39.75 35.77 9.48 11.19 22.73 16.76 0.02 2.23 1.82 99 Q C C 91.44 7.84 13.33 22.17 102.09 64.21 -78.83 0.97 57.37 5.14 37.49 32.50 11.41 14.01 17.84 19.26 0.04 3.08 1.87 100 R C C 130.67 6.77 11.41 19.53 102.89 67.29 -80.49 3.76 61.45 4.59 33.96 37.54 11.02 13.45 14.58 18.95 0.03 2.72 1.71 101 Q C C 120.70 3.99 10.49 16.21 105.79 66.74 -85.48 48.52 76.46 3.29 20.24 62.35 3.20 12.04 10.42 8.40 0.00 1.88 1.70 102 M C C 120.34 5.27 11.57 18.26 104.14 60.92 -80.65 28.25 99.77 0.10 0.13 99.21 0.30 0.34 0.06 0.02 0.00 0.05 0.03