# 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 G C C 39.68 5.70 17.59 23.96 116.57 -108.26 96.87 -166.44 99.90 0.09 0.00 99.77 0.13 0.03 0.00 0.00 0.00 0.06 0.00 1 S C C 56.61 9.43 15.53 25.59 122.55 -72.19 -104.52 144.93 77.21 22.71 0.08 76.10 0.74 0.29 0.01 0.05 0.00 22.15 0.66 2 M E E 49.69 13.69 16.22 30.60 123.67 -156.60 -115.35 138.99 27.63 72.34 0.03 23.41 2.61 0.15 0.00 0.03 0.00 73.47 0.32 3 L E E 41.44 13.27 20.47 34.48 119.21 -144.93 -102.74 130.37 3.87 96.13 0.00 3.57 0.15 0.01 0.00 0.00 0.00 96.23 0.05 4 V E E 9.77 20.83 20.10 41.25 122.85 -167.50 -118.40 131.92 0.31 99.69 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.01 5 L E E 20.02 17.34 25.66 42.79 115.86 -154.34 -104.13 124.26 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 6 I E E 5.98 23.86 23.51 47.17 118.43 -164.73 -110.07 126.13 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 7 T E E 16.82 18.41 25.47 43.09 127.36 -172.55 -122.68 140.93 0.74 99.26 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.31 0.01 8 Y E E 15.23 22.50 21.26 43.19 129.55 -169.03 -130.33 141.60 4.95 95.04 0.01 4.39 0.27 0.02 0.00 0.00 0.00 95.21 0.10 9 D E E 51.15 11.31 26.06 37.65 111.98 -139.25 -95.55 119.70 19.74 80.23 0.03 18.19 1.12 0.08 0.01 0.02 0.00 80.15 0.44 10 V C C 10.45 23.40 15.56 38.82 123.86 -171.57 -117.21 136.43 62.41 37.42 0.16 59.61 2.01 0.32 0.05 0.11 0.00 35.86 2.04 11 Q C C 103.81 5.47 23.60 29.35 111.20 -147.95 -94.47 118.74 87.43 12.27 0.30 75.50 10.19 1.39 0.08 0.25 0.00 10.74 1.85 12 T C C 32.31 16.71 10.95 27.29 123.06 145.64 -117.16 137.75 94.19 4.60 1.21 74.15 15.93 4.05 0.41 0.81 0.00 2.65 1.99 13 S C C 88.96 1.92 16.34 18.54 99.34 -166.42 -94.29 -11.42 97.89 0.81 1.30 52.03 39.89 6.11 0.46 0.72 0.00 0.33 0.46 14 S C S 58.33 3.30 14.03 18.39 125.46 71.42 -99.06 163.38 94.48 0.67 4.86 22.35 67.77 4.36 3.75 0.92 0.00 0.17 0.68 15 M H H 145.78 1.74 13.77 16.35 92.61 -104.22 -60.59 -34.61 39.45 0.23 60.32 4.70 8.56 26.39 48.43 11.49 0.13 0.09 0.20 16 G H H 45.82 2.47 15.71 18.50 92.98 53.97 -65.15 -34.19 38.70 0.21 61.09 4.25 5.64 28.12 50.58 11.00 0.15 0.09 0.16 17 G H H 10.39 14.44 11.48 26.78 92.89 52.73 -68.99 -32.41 32.35 0.48 67.17 14.35 6.33 13.06 55.34 10.39 0.04 0.22 0.27 18 T H H 64.74 8.40 16.38 25.69 92.89 60.42 -63.91 -40.21 13.84 0.21 85.96 8.25 2.54 4.00 83.33 1.70 0.01 0.09 0.09 19 K H H 127.86 1.59 22.23 21.83 92.27 50.20 -64.69 -41.56 5.83 0.11 94.06 2.56 1.10 2.43 92.86 0.96 0.01 0.05 0.03 20 R H H 68.80 11.97 19.74 32.01 92.04 48.91 -64.99 -41.54 3.15 0.07 96.78 1.29 0.46 1.45 96.06 0.68 0.00 0.04 0.01 21 L H H 11.32 22.79 16.34 38.80 91.39 51.39 -63.44 -42.18 1.11 0.02 98.87 0.40 0.13 0.50 98.73 0.23 0.00 0.01 0.00 22 R H H 124.40 5.34 23.92 29.79 91.22 51.49 -63.15 -41.09 0.39 0.00 99.60 0.11 0.04 0.17 99.60 0.08 0.00 0.00 0.00 23 K H H 100.80 4.32 25.38 29.62 91.38 49.98 -63.92 -41.95 0.24 0.00 99.76 0.04 0.02 0.13 99.75 0.06 0.00 0.00 0.00 24 V H H 3.30 24.45 20.17 44.63 91.47 48.72 -63.74 -44.00 0.22 0.00 99.78 0.02 0.01 0.13 99.78 0.05 0.00 0.00 0.00 25 A H H 12.92 19.72 20.84 40.01 91.05 51.63 -61.73 -42.99 0.26 0.00 99.74 0.03 0.02 0.15 99.77 0.04 0.00 0.00 0.00 26 K H H 120.03 2.17 26.82 27.69 91.34 50.23 -63.60 -41.54 0.38 0.00 99.62 0.04 0.02 0.24 99.59 0.11 0.00 0.00 0.00 27 A H H 23.51 10.74 22.00 33.80 91.63 49.44 -64.62 -42.50 0.72 0.00 99.28 0.05 0.04 0.52 99.13 0.25 0.00 0.00 0.00 28 C H H 1.61 27.02 14.18 41.93 91.48 49.51 -65.14 -39.69 1.57 0.01 98.42 0.14 0.10 1.20 97.60 0.95 0.00 0.00 0.00 29 Q H H 94.06 11.11 19.10 30.21 91.46 56.81 -64.67 -31.36 10.06 0.06 89.88 0.55 0.47 8.76 81.96 8.16 0.04 0.03 0.02 30 N H H 123.41 1.27 22.69 22.21 92.24 51.99 -75.12 -21.65 34.75 0.04 65.21 0.58 0.85 34.18 59.33 4.99 0.02 0.02 0.03 31 Y C T 78.73 12.93 16.68 29.80 102.81 33.80 -106.91 -15.05 52.95 0.31 46.74 1.75 4.88 45.44 41.43 6.06 0.10 0.15 0.20 32 G C E 13.40 15.45 16.90 32.53 146.17 -12.10 165.19 177.28 62.27 37.53 0.20 25.55 27.58 8.19 0.05 0.15 0.00 37.81 0.68 33 Q E E 94.54 5.92 22.32 28.91 122.78 -73.78 -110.79 139.58 6.24 93.75 0.01 5.80 0.30 0.03 0.01 0.01 0.00 93.61 0.25 34 R E E 99.15 14.53 14.40 28.76 111.12 -125.71 -82.67 123.97 2.69 97.30 0.00 2.62 0.08 0.01 0.00 0.00 0.00 96.87 0.42 35 V E E 64.66 8.90 16.42 26.61 101.66 176.97 -95.67 -35.25 18.07 81.89 0.04 15.27 1.56 0.17 0.01 0.03 0.00 82.78 0.18 36 Q E E 83.55 4.94 19.17 24.75 136.50 -11.52 -152.70 157.51 30.96 68.49 0.56 5.10 12.54 17.10 0.04 0.60 0.00 63.41 1.21 37 N C T 104.94 5.91 18.97 25.68 96.98 -60.46 1.02 -21.97 99.20 0.29 0.51 0.92 14.35 83.88 0.01 0.59 0.00 0.19 0.06 38 S C T 30.39 16.58 16.28 32.25 100.35 5.25 -112.89 11.00 99.19 0.53 0.28 1.10 15.73 82.35 0.01 0.34 0.00 0.44 0.05 39 V E E 24.41 15.29 20.16 36.50 122.93 98.49 -114.63 134.12 3.12 96.88 0.00 2.66 0.31 0.01 0.00 0.00 0.00 96.73 0.30 40 F E E 11.62 21.08 20.16 41.38 130.56 -174.08 -126.45 147.88 0.29 99.71 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.02 41 E E E 38.38 14.73 25.07 39.84 124.14 -161.41 -118.96 136.83 0.48 99.52 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 42 C E E 7.86 21.61 19.31 40.92 134.71 177.13 -139.76 150.95 1.20 98.80 0.00 1.14 0.02 0.00 0.00 0.00 0.00 98.79 0.04 43 I E E 69.81 9.14 24.46 34.11 113.64 -125.60 -92.69 126.35 3.63 96.37 0.01 3.43 0.13 0.01 0.00 0.00 0.00 96.25 0.19 44 V E E 14.10 20.66 12.59 33.22 134.15 166.67 -136.44 156.75 26.17 73.82 0.01 25.46 0.68 0.02 0.01 0.00 0.00 72.30 1.53 45 D C C 77.91 3.24 21.38 23.78 116.98 -105.06 -73.43 155.93 90.00 9.99 0.02 90.44 0.33 0.01 0.00 0.00 0.00 8.99 0.22 46 S H H 66.16 7.92 13.71 22.99 91.74 -110.67 -59.14 -37.34 3.61 0.00 96.39 0.24 0.26 3.00 95.14 1.36 0.00 0.00 0.00 47 T H H 97.05 1.11 18.86 17.94 91.92 52.92 -64.94 -40.16 1.85 0.00 98.14 0.07 0.08 1.71 96.34 1.79 0.00 0.00 0.00 48 Q H H 71.03 9.09 17.50 27.43 92.05 48.22 -66.61 -39.93 0.67 0.00 99.33 0.07 0.04 0.48 97.58 1.83 0.00 0.00 0.00 49 L H H 14.44 21.03 13.29 34.11 91.24 52.35 -62.27 -43.10 0.15 0.00 99.85 0.02 0.01 0.08 99.79 0.10 0.00 0.00 0.00 50 T H H 70.59 4.01 21.78 25.76 91.62 50.65 -63.50 -41.74 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 51 S H H 55.49 3.03 22.64 24.93 91.49 50.05 -64.31 -41.80 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 52 L H H 8.19 20.98 17.29 38.58 91.66 49.95 -63.84 -42.93 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 53 K H H 59.96 17.51 19.37 35.66 91.35 52.12 -61.29 -42.37 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 54 L H H 96.70 2.20 23.71 24.35 91.69 49.94 -64.13 -41.34 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 55 E H H 79.38 7.64 21.76 29.82 91.71 49.16 -65.26 -41.47 0.25 0.00 99.75 0.01 0.01 0.20 99.67 0.11 0.00 0.00 0.00 56 L H H 2.77 26.34 14.59 41.53 91.45 49.44 -64.67 -41.34 0.66 0.00 99.34 0.03 0.02 0.54 98.59 0.81 0.00 0.00 0.00 57 T H H 55.97 13.71 17.95 31.40 91.00 56.56 -63.54 -33.10 3.79 0.00 96.21 0.10 0.10 3.61 88.91 7.28 0.00 0.00 0.00 58 S H H 86.73 1.38 22.27 22.22 90.68 56.70 -72.12 -20.48 28.09 0.01 71.90 0.21 0.39 29.58 63.60 6.21 0.01 0.00 0.01 59 L H H 48.57 13.52 16.73 30.67 96.76 48.67 -93.32 -13.21 41.14 0.03 58.82 0.55 1.32 39.70 54.44 3.93 0.01 0.01 0.02 60 I C S 16.46 23.55 9.49 32.01 120.74 90.08 -91.97 143.23 95.19 3.55 1.27 43.58 50.03 0.54 1.24 0.12 0.00 0.40 4.09 61 D C C 68.87 5.24 18.24 24.53 106.89 -131.86 -87.68 111.83 99.39 0.53 0.09 99.00 0.38 0.11 0.04 0.01 0.00 0.12 0.35 62 E C T 121.42 8.30 12.05 22.04 92.93 -157.16 -64.96 -25.61 95.46 0.35 4.20 1.20 6.63 88.16 0.50 3.06 0.00 0.18 0.28 63 E C T 156.62 0.83 16.78 16.05 94.00 54.92 -74.49 -23.95 96.92 0.08 2.99 0.26 3.69 93.66 0.16 2.15 0.00 0.04 0.05 64 K C T 114.94 4.88 16.27 22.09 105.09 25.36 -109.14 -15.87 97.53 0.26 2.21 1.72 7.43 88.53 0.15 1.92 0.00 0.15 0.09 65 D C C 22.93 18.53 12.64 30.69 135.94 46.19 -135.84 158.48 83.07 16.78 0.16 75.49 5.89 1.04 0.04 0.12 0.00 16.17 1.24 66 S E E 31.14 9.54 23.48 34.00 130.50 -158.36 -129.35 150.28 21.12 78.83 0.05 20.05 0.72 0.07 0.01 0.03 0.00 78.56 0.56 67 L E E 20.78 22.72 16.51 38.97 123.83 -153.04 -119.29 132.87 2.17 97.83 0.00 2.08 0.05 0.00 0.00 0.00 0.00 97.81 0.06 68 R E E 82.73 9.68 24.50 34.52 125.89 -170.50 -124.10 136.01 0.31 99.69 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.01 69 I E E 38.62 19.22 17.25 35.96 121.11 -159.76 -113.83 129.70 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 70 Y E E 76.16 10.04 19.91 30.93 126.81 -174.30 -128.04 141.42 1.07 98.92 0.01 0.97 0.03 0.00 0.00 0.00 0.00 98.95 0.04 71 R E E 114.01 9.34 16.95 27.13 114.60 -129.08 -87.29 129.87 11.86 88.09 0.05 11.11 0.49 0.06 0.01 0.02 0.00 88.04 0.27 72 L C C 69.60 11.88 11.67 24.10 114.71 -152.60 -95.99 130.08 68.93 30.42 0.65 46.36 20.00 2.71 0.15 0.53 0.00 28.97 1.27 73 G C S 40.71 3.90 13.93 18.95 125.69 32.83 122.79 -174.38 85.76 10.90 3.34 24.21 52.80 9.56 0.87 2.25 0.01 7.23 3.07 74 N C T 126.11 1.87 12.37 14.89 99.93 -53.61 -75.43 -11.58 77.24 1.22 21.55 6.30 28.54 44.58 4.13 14.98 0.04 0.62 0.83 75 N C T 114.98 2.54 11.75 15.31 100.02 41.17 -87.51 24.54 74.81 1.49 23.69 9.36 20.74 45.73 5.30 17.09 0.04 0.78 0.95 76 Y C C 109.03 8.58 8.82 18.36 101.33 97.63 -83.93 36.49 58.01 6.86 35.13 30.20 13.44 16.35 9.26 24.26 0.11 3.59 2.80 77 K C G 134.77 4.25 11.23 17.20 98.64 125.80 -74.57 -22.51 49.66 4.75 45.58 19.82 10.64 21.52 7.49 36.12 0.09 3.02 1.30 78 T C G 107.88 1.67 13.13 15.19 99.69 53.75 -88.86 -5.44 49.27 5.73 45.00 15.37 12.55 23.86 5.64 37.14 0.14 4.05 1.25 79 K C G 122.52 4.46 12.45 18.47 111.10 68.95 -100.40 78.53 51.20 10.78 38.02 30.38 10.39 12.65 4.37 32.15 0.03 8.88 1.15 80 V C C 64.73 12.50 8.97 21.62 120.81 129.93 -109.93 133.51 57.64 41.25 1.12 50.68 5.07 0.80 0.56 0.51 0.00 41.21 1.17 81 E E E 116.69 3.89 15.36 20.93 120.42 -164.73 -114.59 133.11 16.34 83.01 0.65 15.08 0.99 0.33 0.42 0.25 0.00 81.83 1.10 82 H E E 102.56 9.67 10.91 21.81 119.59 -156.82 -108.87 130.35 10.04 89.61 0.35 9.44 0.49 0.18 0.25 0.12 0.00 87.55 1.96 83 I E E 100.98 5.09 12.65 19.47 118.25 -171.82 -116.75 129.69 28.53 70.83 0.64 21.99 5.26 1.83 0.31 0.38 0.00 68.66 1.57 84 G C S 42.03 4.07 13.06 18.60 128.57 19.84 111.06 -173.83 80.88 18.77 0.35 19.25 51.45 9.14 0.04 0.35 0.00 18.82 0.94 85 A C S 83.60 3.39 11.31 16.21 109.29 -51.35 -86.65 117.31 93.26 6.40 0.33 33.88 55.03 4.62 0.05 0.33 0.00 5.08 1.01 86 K C C 140.08 2.92 10.71 15.57 119.04 -111.27 -99.16 137.19 96.22 3.58 0.20 55.68 39.79 1.16 0.04 0.17 0.00 2.32 0.84 87 P C C 97.73 3.85 10.57 16.36 112.17 -107.33 -69.00 146.20 96.76 2.21 1.02 77.81 12.75 5.96 0.15 1.12 0.00 1.65 0.55 88 S C C 79.40 3.77 9.41 15.06 114.79 -128.95 -95.53 137.60 93.80 4.63 1.57 73.24 13.84 6.33 0.28 1.64 0.00 2.90 1.78 89 I C C 108.03 5.34 8.72 15.87 117.45 -150.26 -104.73 130.32 88.81 9.48 1.71 71.12 14.41 2.59 0.55 1.31 0.00 5.04 4.97 90 D C C 105.80 2.53 11.48 15.44 110.38 -147.79 -94.33 113.12 94.97 3.79 1.24 87.78 5.39 1.90 0.33 0.86 0.00 2.48 1.27 91 L C C 103.39 6.40 7.61 15.55 104.55 -172.27 -87.54 27.80 92.40 2.54 5.06 51.98 14.84 25.49 1.01 4.29 0.00 1.62 0.78 92 E C C 151.27 1.43 10.93 12.93 102.37 101.30 -84.75 3.50 93.46 2.39 4.15 34.14 30.19 29.31 0.65 3.57 0.00 1.33 0.79 93 D C S 102.54 2.50 10.07 14.10 115.16 56.40 -102.21 130.20 95.72 2.99 1.29 40.42 51.83 3.83 0.26 0.99 0.00 1.98 0.70 94 P C C 91.78 4.84 8.21 14.84 112.63 -138.30 -73.24 138.69 91.42 6.93 1.65 66.84 18.85 5.47 0.35 1.44 0.00 6.17 0.88 95 L E E 115.14 3.30 8.56 13.79 115.69 -142.43 -97.13 127.78 38.70 59.24 2.07 30.27 6.35 2.67 0.74 1.46 0.00 53.62 4.89 96 I E E 118.52 3.70 8.81 14.39 114.31 -157.50 -100.18 123.58 28.01 71.40 0.60 26.26 0.80 0.39 0.29 0.28 0.00 65.95 6.03 97 F C C 128.91 5.55 11.19 18.35 114.21 -166.55 -100.84 120.67 95.76 4.23 0.01 95.82 0.09 0.02 0.00 0.00 0.00 4.01 0.05