# 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 105.91 6.50 11.41 19.37 116.61 -163.41 -98.03 136.57 99.93 0.06 0.01 99.87 0.07 0.02 0.00 0.00 0.00 0.02 0.00 1 N C C 86.72 4.51 11.16 17.27 111.04 -133.85 -84.76 119.56 93.41 1.64 4.94 91.94 0.53 1.09 4.72 0.27 0.00 0.54 0.91 2 T H H 87.07 3.65 11.34 16.51 94.71 -147.13 -65.30 -34.78 13.64 0.23 86.13 8.09 2.25 3.72 84.62 1.11 0.00 0.09 0.11 3 L H H 92.05 3.97 12.18 17.39 93.09 53.15 -65.98 -39.83 4.54 0.08 95.39 1.92 0.68 2.00 93.92 1.41 0.01 0.04 0.03 4 D H H 76.98 3.39 13.45 17.98 92.58 51.58 -65.59 -39.95 2.44 0.07 97.50 1.20 0.33 0.98 95.82 1.60 0.00 0.04 0.01 5 F H H 103.96 3.61 13.90 18.70 92.63 50.89 -65.14 -41.25 2.08 0.08 97.85 0.97 0.29 0.92 96.62 1.14 0.00 0.05 0.02 6 V H H 71.87 4.48 14.51 20.13 92.59 49.39 -65.60 -41.59 2.79 0.12 97.09 1.18 0.39 1.32 96.21 0.79 0.01 0.07 0.03 7 D H H 77.41 4.69 15.35 21.03 93.03 49.88 -66.69 -38.73 5.98 0.16 93.86 2.12 0.80 3.18 92.81 0.93 0.02 0.08 0.07 8 Q H H 98.92 4.61 15.47 21.07 93.24 51.73 -66.94 -37.19 11.31 0.09 88.60 2.57 1.45 7.24 87.05 1.59 0.02 0.04 0.05 9 A H H 56.85 4.44 15.39 20.85 93.42 53.22 -68.82 -35.25 24.10 0.14 75.76 4.34 2.95 16.80 73.25 2.49 0.03 0.05 0.09 10 S H H 53.02 5.65 14.93 21.82 95.26 53.85 -73.41 -26.33 46.12 0.45 53.42 12.54 5.72 28.35 48.78 4.09 0.04 0.19 0.29 11 L C C 70.39 9.49 12.90 23.46 96.50 66.61 -72.57 -19.64 55.44 1.94 42.61 33.94 8.81 13.14 29.57 12.58 0.02 0.95 0.98 12 R C C 129.15 7.34 13.35 21.84 99.19 75.37 -76.19 -15.10 56.94 2.09 40.97 37.06 7.53 12.42 19.09 21.86 0.01 1.18 0.86 13 D C C 111.34 2.38 14.84 17.85 98.87 68.93 -80.52 -12.64 63.13 1.42 35.45 25.40 14.87 23.55 10.92 23.74 0.03 0.66 0.82 14 D C C 100.69 3.80 15.24 20.16 103.45 52.44 -93.99 22.52 74.55 1.04 24.41 37.35 13.77 23.16 5.13 19.48 0.00 0.49 0.61 15 I C C 49.61 17.49 10.36 27.02 116.59 127.23 -90.03 132.74 99.12 0.67 0.21 58.38 40.43 0.33 0.09 0.08 0.00 0.17 0.51 16 P C C 47.98 10.03 16.65 28.03 115.77 -110.81 -67.57 151.64 99.68 0.18 0.14 95.56 3.19 0.98 0.02 0.10 0.00 0.09 0.07 17 T C C 91.94 5.25 21.22 27.50 112.24 -111.25 -80.30 131.58 98.72 1.11 0.17 90.14 7.14 1.40 0.02 0.18 0.00 0.40 0.72 18 F C C 17.57 23.52 11.08 34.02 124.06 -162.25 -113.08 141.40 93.02 6.94 0.04 90.18 2.45 0.07 0.01 0.01 0.00 1.13 6.13 19 S C C 54.55 4.27 24.70 28.80 131.21 -164.33 -121.38 162.07 99.86 0.14 0.01 99.55 0.34 0.01 0.00 0.00 0.00 0.03 0.06 20 P C T 69.21 11.68 15.31 27.50 110.79 -77.13 -59.34 137.08 99.86 0.07 0.08 0.13 1.19 98.59 0.00 0.04 0.00 0.03 0.02 21 G C T 40.00 5.05 19.78 25.88 96.47 26.47 91.00 -7.24 99.92 0.04 0.04 0.20 1.21 98.54 0.00 0.03 0.00 0.03 0.00 22 D C C 35.61 12.69 16.26 30.36 119.00 130.75 -72.81 149.57 93.54 6.45 0.00 92.46 1.26 0.02 0.00 0.00 0.00 6.11 0.14 23 T E E 57.99 9.55 22.07 32.19 120.06 -133.33 -104.27 133.76 1.34 98.66 0.00 1.38 0.02 0.00 0.00 0.00 0.00 98.48 0.12 24 V E E 6.05 23.99 15.55 39.98 127.53 -171.92 -124.67 141.47 0.18 99.82 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 25 N E E 65.88 7.46 25.39 33.38 114.30 -134.33 -94.42 126.22 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 26 V E E 4.26 25.48 15.28 41.64 121.32 -167.46 -114.58 132.47 0.30 99.70 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 27 H E E 59.06 8.80 25.20 34.70 120.06 -164.55 -113.47 131.18 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 28 V E E 11.05 22.02 16.17 38.42 123.50 -167.06 -118.72 133.48 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 29 K E E 75.28 8.22 22.05 31.07 117.95 -155.28 -107.42 127.90 0.62 99.38 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.01 30 V E E 24.68 15.78 13.88 30.60 122.31 -167.96 -114.66 136.15 1.84 98.16 0.00 1.57 0.11 0.01 0.00 0.00 0.00 98.28 0.03 31 I E E 77.55 6.61 13.98 22.57 115.33 -142.54 -102.79 124.54 8.89 91.07 0.05 7.50 0.85 0.13 0.01 0.03 0.00 91.25 0.22 32 E E E 101.37 5.93 9.96 17.77 114.61 -177.35 -125.38 112.09 26.93 71.54 1.53 11.14 7.55 9.84 0.14 1.60 0.00 69.03 0.69 33 G C T 64.06 0.54 12.18 11.48 108.96 -40.88 64.01 -126.85 98.09 0.47 1.44 2.61 12.41 82.66 0.05 1.81 0.00 0.36 0.10 34 S C T 106.93 0.33 10.39 9.25 97.26 -26.90 -88.03 2.63 98.02 0.51 1.47 3.15 18.43 76.09 0.05 1.80 0.00 0.39 0.09 35 K E E 129.21 2.18 10.09 14.03 122.19 93.20 -104.20 144.79 21.79 78.06 0.14 13.14 8.51 1.41 0.02 0.13 0.00 75.97 0.80 36 E E E 120.40 5.86 9.84 17.89 120.31 -145.73 -104.91 135.50 11.81 88.17 0.02 10.13 0.73 0.09 0.00 0.01 0.00 88.90 0.14 37 R E E 102.69 6.20 13.91 22.06 128.66 -177.73 -130.37 147.99 3.40 96.60 0.01 3.00 0.17 0.02 0.00 0.00 0.00 96.77 0.04 38 I E E 91.38 8.80 14.33 24.48 118.31 -133.03 -100.42 132.17 1.54 98.46 0.00 1.47 0.04 0.00 0.00 0.00 0.00 98.47 0.02 39 Q E E 52.71 12.42 16.03 29.47 128.74 -175.12 -127.43 145.75 0.79 99.21 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.23 0.00 40 V E E 65.16 9.89 20.24 30.88 117.96 -136.80 -100.57 130.28 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.73 0.00 41 F E E 13.44 21.46 16.23 37.91 129.12 -173.30 -124.74 147.85 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 42 K E E 85.32 10.08 25.47 35.69 123.81 -152.02 -115.78 137.96 0.55 99.45 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.00 43 G E E 4.33 18.56 22.39 41.08 145.11 124.73 -169.49 -173.32 1.17 98.83 0.00 0.83 0.11 0.00 0.00 0.00 0.00 99.05 0.01 44 V E E 33.40 12.48 26.24 39.80 122.91 -73.02 -111.88 137.05 0.34 99.66 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.70 0.00 45 V E E 6.42 24.22 17.68 42.89 109.52 -117.56 -75.24 124.31 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 46 I E E 45.82 11.92 23.43 36.11 100.72 174.15 -99.43 -30.86 0.48 99.52 0.00 0.33 0.06 0.00 0.00 0.00 0.00 99.60 0.00 47 R E E 91.99 6.55 25.26 32.81 141.34 -1.38 -157.39 151.56 0.35 99.65 0.00 0.27 0.03 0.00 0.00 0.00 0.00 99.70 0.00 48 R E E 77.47 19.66 13.52 31.74 124.76 -158.33 -126.24 133.18 2.10 97.90 0.00 2.00 0.07 0.00 0.00 0.00 0.00 97.82 0.10 49 Q E E 97.35 5.36 18.19 24.68 125.92 -175.18 -127.69 142.95 34.57 65.38 0.04 28.66 4.26 0.37 0.01 0.04 0.00 66.20 0.48 50 G C C 50.93 2.54 15.50 18.85 117.24 14.34 94.47 -168.16 83.50 16.39 0.12 47.47 31.68 3.21 0.01 0.15 0.00 16.97 0.51 51 G C C 52.40 3.92 12.69 18.28 122.09 -114.96 -139.15 156.83 91.56 8.17 0.27 45.08 43.10 3.74 0.04 0.31 0.00 6.13 1.60 52 G C S 46.75 2.59 14.80 18.14 123.25 31.42 90.73 -160.11 94.36 3.43 2.21 6.71 74.94 13.18 0.19 1.73 0.00 1.95 1.31 53 I C T 123.04 4.78 13.61 19.51 94.16 -42.58 -71.90 -23.49 95.55 0.99 3.46 1.85 35.32 58.20 0.09 3.68 0.00 0.59 0.27 54 S C T 62.16 6.90 15.75 23.59 99.73 49.74 -97.87 11.74 89.64 7.66 2.70 9.78 25.74 53.47 0.09 3.46 0.00 6.93 0.53 55 E C C 41.71 13.65 14.82 29.54 116.83 125.60 -83.60 139.53 66.50 33.15 0.34 61.82 2.82 0.52 0.04 0.28 0.00 34.07 0.46 56 T E E 32.48 12.10 21.45 34.36 132.08 -173.38 -130.22 151.06 6.96 93.03 0.01 6.29 0.36 0.02 0.00 0.00 0.00 93.10 0.22 57 F E E 11.54 22.02 18.73 41.07 125.00 -156.21 -119.28 138.42 0.55 99.45 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.01 58 T E E 23.30 12.28 25.22 38.65 120.22 -153.99 -111.62 133.91 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 59 V E E 5.33 23.62 18.99 43.19 121.42 -164.72 -114.31 132.80 0.26 99.74 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 60 R E E 64.87 12.50 23.12 35.76 124.44 -166.03 -113.94 136.21 0.79 99.21 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.28 0.01 61 K E E 51.40 14.48 17.34 32.14 129.70 -174.16 -124.91 148.53 1.99 98.00 0.01 1.56 0.23 0.02 0.00 0.00 0.00 98.15 0.03 62 E E E 87.06 8.98 15.98 26.21 116.98 -136.23 -104.32 127.01 7.73 92.22 0.06 6.42 0.94 0.11 0.01 0.03 0.00 92.28 0.19 63 S E E 45.80 8.92 11.03 21.58 125.43 169.16 -135.28 135.10 16.66 83.00 0.34 11.41 4.42 1.51 0.08 0.26 0.00 81.23 1.09 64 Y C T 198.65 1.09 13.27 14.19 93.87 -14.74 50.68 43.19 98.46 0.98 0.56 1.39 12.59 84.52 0.03 0.57 0.00 0.76 0.14 65 G C T 61.01 1.58 12.80 14.68 96.04 -48.26 82.19 0.77 99.22 0.40 0.37 1.35 12.90 84.96 0.02 0.40 0.00 0.31 0.06 66 V E E 76.25 5.62 13.57 20.93 122.02 102.05 -111.48 134.83 11.01 88.91 0.08 7.34 3.21 0.49 0.02 0.06 0.00 88.37 0.51 67 G E E 28.50 11.56 13.35 25.71 120.43 -142.57 -91.19 146.13 4.20 95.79 0.01 3.42 0.39 0.03 0.00 0.00 0.00 96.10 0.06 68 V E E 41.66 11.73 17.49 30.67 124.63 -166.57 -125.17 135.86 1.27 98.73 0.00 1.15 0.05 0.00 0.00 0.00 0.00 98.77 0.02 69 E E E 82.50 13.22 17.62 30.90 122.25 -155.98 -111.79 133.80 0.94 99.06 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.16 0.01 70 R E E 69.69 13.24 19.51 33.03 130.64 -174.69 -131.44 144.27 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 71 T E E 57.62 12.94 20.59 33.44 122.34 -151.05 -114.87 132.56 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 72 F E E 21.43 19.03 17.98 37.23 127.44 -173.21 -130.56 139.40 0.77 99.23 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.27 0.02 73 P E E 47.27 8.58 23.76 33.00 113.25 -110.06 -67.58 142.85 7.94 92.05 0.02 6.89 0.59 0.10 0.00 0.01 0.00 92.19 0.22 74 V C T 25.84 21.58 15.90 36.75 93.20 -121.01 -62.98 -27.89 93.41 5.60 1.00 12.68 15.98 64.46 0.07 1.13 0.00 5.21 0.48 75 H C T 100.30 8.70 22.17 31.37 95.07 57.42 -88.38 5.39 96.79 2.46 0.75 12.60 19.59 64.38 0.05 0.98 0.00 1.71 0.71 76 S C C 16.17 17.95 13.74 32.23 113.10 126.16 -72.41 134.40 97.06 2.30 0.64 67.83 28.05 1.19 0.11 0.63 0.00 1.12 1.07 77 P C T 84.43 5.53 21.37 27.69 92.49 -130.49 -65.52 -19.56 97.23 0.96 1.82 3.01 11.36 82.62 0.10 2.03 0.00 0.65 0.24 78 N C T 52.41 12.99 18.68 31.96 95.13 61.04 -87.69 -2.38 94.53 4.04 1.42 4.75 7.63 82.20 0.12 1.49 0.00 3.48 0.33 79 I E E 12.66 24.11 11.69 35.58 111.33 104.50 -82.89 120.12 12.66 87.23 0.12 12.11 0.66 0.07 0.03 0.06 0.00 86.13 0.94 80 D E E 82.26 4.83 22.24 27.75 99.77 176.08 -94.15 -32.82 11.71 88.23 0.06 9.05 2.01 0.11 0.01 0.03 0.00 88.69 0.09 81 H E E 86.23 5.48 24.56 30.92 140.50 1.96 -154.67 151.49 1.70 98.28 0.02 1.28 0.16 0.02 0.00 0.01 0.00 98.52 0.01 82 I E E 22.72 23.98 13.35 36.87 123.87 -161.08 -127.99 128.87 0.65 99.34 0.01 0.60 0.02 0.00 0.00 0.00 0.00 99.37 0.01 83 D E E 63.29 7.02 25.27 32.53 121.87 -170.05 -117.55 131.77 0.51 99.48 0.01 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.00 84 V E E 40.89 18.45 16.46 34.43 115.65 -147.08 -95.96 125.05 1.36 98.61 0.04 1.29 0.03 0.01 0.02 0.00 0.00 98.62 0.03 85 L E E 57.18 11.15 19.05 30.88 113.18 -167.31 -106.16 118.17 8.87 91.00 0.13 7.89 0.67 0.11 0.07 0.05 0.00 91.04 0.18 86 T E E 57.60 10.24 18.52 29.25 134.24 0.84 -137.05 149.90 25.04 74.55 0.40 21.06 3.34 0.58 0.16 0.23 0.00 74.11 0.54 87 R C C 117.59 11.33 15.12 26.71 116.94 -148.29 -105.06 129.05 57.49 38.23 4.28 42.26 11.19 3.93 1.93 2.04 0.01 37.19 1.45 88 G C C 31.94 8.72 15.29 24.76 123.12 147.52 -116.37 -172.28 79.06 8.75 12.18 41.22 27.74 10.91 7.79 4.19 0.03 6.64 1.48 89 D C C 105.80 3.29 17.55 21.47 105.57 -55.86 -85.48 77.34 78.91 4.68 16.42 55.12 14.87 8.46 12.55 4.57 0.01 3.22 1.19 90 V C C 49.91 14.65 10.99 25.38 112.75 115.23 -93.03 120.70 63.14 4.30 32.56 49.31 7.71 5.70 27.79 5.48 0.01 2.87 1.12 91 R C C 131.44 5.80 16.87 23.53 107.81 -153.47 -80.39 87.49 57.19 3.36 39.45 43.94 6.99 6.15 33.46 6.37 0.01 2.21 0.88 92 R H H 123.86 8.63 15.95 25.04 95.89 50.55 -69.43 -30.56 40.60 2.82 56.59 26.13 7.40 7.70 44.31 11.83 0.03 1.92 0.68 93 A H H 44.27 9.88 15.38 26.24 95.50 64.55 -71.15 -27.69 38.08 2.40 59.52 23.47 6.09 8.47 46.33 13.35 0.02 1.73 0.54 94 K H H 91.86 9.47 18.06 27.90 96.85 62.68 -72.30 -22.06 37.54 3.07 59.40 24.31 5.11 8.38 46.51 12.63 0.02 2.41 0.64 95 L H H 40.24 15.07 15.30 30.51 94.69 64.56 -70.18 -32.45 21.30 3.02 75.68 14.82 2.96 4.50 60.90 13.65 0.02 2.79 0.36 96 Y H H 91.99 8.15 18.55 27.56 93.59 66.72 -65.93 -37.73 14.44 2.82 82.73 6.13 2.15 6.07 64.68 17.70 0.04 2.97 0.26 97 Y H H 82.30 8.61 17.92 27.63 93.42 52.85 -68.51 -36.44 14.63 3.07 82.30 5.66 2.17 6.64 63.25 18.69 0.06 3.23 0.30 98 L H H 39.53 14.73 14.71 29.76 93.12 57.82 -68.30 -35.27 14.15 2.56 83.30 6.41 2.27 5.57 63.20 19.71 0.07 2.47 0.30 99 R H H 108.19 8.69 16.04 25.59 92.69 59.54 -65.93 -34.14 23.97 2.32 73.71 6.67 3.45 13.37 56.74 17.10 0.23 1.96 0.49 100 E H H 117.09 3.42 17.46 21.29 96.02 50.71 -84.19 -11.07 38.17 1.74 60.10 9.01 4.87 22.99 45.77 15.40 0.18 1.24 0.55 101 L C H 52.33 13.03 10.23 23.61 103.67 89.44 -77.18 39.16 56.29 2.78 40.92 29.81 12.70 14.54 32.42 7.89 0.06 1.48 1.09 102 R C T 147.96 4.70 14.02 20.03 106.85 -143.86 -81.16 113.10 63.10 2.52 34.38 18.08 9.71 34.75 28.74 6.15 0.10 1.41 1.07 103 G C T 47.04 3.94 13.97 18.95 106.16 12.08 78.78 -12.74 68.27 0.93 30.80 13.75 13.26 40.98 23.30 7.70 0.04 0.45 0.52 104 K C H 123.48 5.29 12.83 19.41 101.61 49.40 -78.45 -21.59 52.06 1.92 46.02 21.34 13.95 17.35 32.67 12.79 0.08 1.02 0.80 105 K H H 126.18 4.87 13.78 19.86 100.55 69.34 -78.38 -14.33 43.62 4.28 52.10 19.60 9.59 14.98 34.84 16.79 0.16 2.82 1.21 106 A H H 48.42 9.48 11.58 22.13 107.39 103.15 -82.64 102.35 44.49 5.76 49.75 23.68 8.85 12.14 33.37 16.38 0.10 4.23 1.24 107 K C H 118.54 5.24 14.71 21.20 111.07 -145.83 -92.83 116.96 47.80 10.13 42.07 28.49 9.11 10.64 29.35 12.60 0.08 7.95 1.79 108 I C C 74.56 11.02 10.49 22.16 113.60 -145.88 -91.88 128.17 51.03 16.37 32.61 35.91 8.61 6.57 26.97 5.89 0.08 13.37 2.60 109 K C C 128.51 4.30 12.11 18.00 111.85 -165.67 -94.91 125.02 56.76 16.54 26.70 39.16 9.12 7.30 23.19 4.72 0.05 14.33 2.13 110 E C C 123.06 4.73 9.57 16.11 113.73 -146.85 -90.56 128.84 63.76 16.10 20.14 44.05 9.70 8.58 16.73 4.67 0.03 14.08 2.16 111 K C C 140.93 3.48 9.41 14.84 111.54 -151.07 -90.80 126.28 80.96 8.92 10.12 72.87 1.76 6.26 7.77 2.16 0.00 7.26 1.92 112 R C C 162.15 3.52 11.11 16.48 110.08 -140.20 -88.95 115.70 99.82 0.14 0.04 99.77 0.07 0.05 0.02 0.00 0.00 0.09 0.01