# 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 87.54 10.70 14.26 25.39 114.36 -159.48 -92.72 123.46 99.78 0.18 0.04 99.77 0.08 0.03 0.02 0.00 0.00 0.08 0.02 1 S C C 55.53 6.61 13.77 21.55 114.21 -144.99 -82.96 160.69 87.53 1.09 11.38 84.28 0.78 1.93 11.68 0.42 0.00 0.39 0.52 2 L H H 87.86 6.08 15.13 22.40 95.60 -112.62 -66.41 -37.58 13.93 0.11 85.96 8.45 1.99 3.02 85.81 0.63 0.00 0.04 0.05 3 C H H 30.28 15.94 14.52 30.22 93.69 52.50 -66.02 -38.83 7.07 0.10 92.83 3.75 0.82 2.33 92.31 0.71 0.00 0.05 0.03 4 I H H 54.54 11.87 16.46 28.94 93.00 52.45 -65.46 -39.73 1.83 0.05 98.12 0.97 0.23 0.66 97.56 0.54 0.00 0.03 0.01 5 K H H 112.45 3.03 21.07 23.66 92.40 52.57 -65.12 -40.79 0.89 0.03 99.08 0.42 0.10 0.37 98.70 0.40 0.00 0.02 0.00 6 L H H 34.11 13.02 18.34 32.14 92.45 50.82 -65.25 -42.22 0.75 0.02 99.23 0.22 0.06 0.40 98.77 0.54 0.00 0.01 0.00 7 L H H 17.66 21.85 15.89 37.09 91.85 51.90 -63.40 -41.90 1.00 0.01 98.99 0.19 0.07 0.61 98.34 0.78 0.00 0.01 0.00 8 H H H 109.12 6.22 20.89 27.90 91.63 51.75 -63.91 -36.80 3.49 0.02 96.49 0.38 0.19 2.70 95.11 1.60 0.00 0.01 0.01 9 E H H 108.15 4.81 22.11 27.15 91.65 55.42 -69.21 -26.15 14.32 0.02 85.66 0.48 0.53 13.33 84.04 1.58 0.01 0.01 0.01 10 T C T 12.02 20.74 14.57 35.52 95.69 50.03 -92.53 -8.60 55.85 0.24 43.91 5.43 2.57 45.74 43.04 2.94 0.01 0.11 0.15 11 Q C T 83.24 12.21 15.95 28.92 111.56 119.41 -61.15 131.92 97.04 1.20 1.76 1.50 1.86 94.28 0.81 0.37 0.00 0.46 0.73 12 G C T 46.95 3.84 21.09 25.72 93.81 18.93 85.36 -4.67 99.48 0.27 0.25 0.47 3.17 95.99 0.03 0.11 0.00 0.20 0.02 13 H C S 69.54 11.47 18.35 30.38 126.92 114.43 -99.17 155.30 95.51 4.42 0.07 46.72 48.39 0.43 0.01 0.05 0.00 4.21 0.19 14 I E E 69.68 10.32 22.55 33.30 113.41 -117.36 -86.74 130.38 6.16 93.84 0.00 6.33 0.13 0.01 0.00 0.00 0.00 93.25 0.29 15 V E E 5.94 23.71 16.73 40.81 128.35 -172.82 -124.07 144.84 0.43 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 16 T E E 34.45 10.72 25.87 37.54 119.53 -145.53 -109.44 131.60 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 17 M E E 6.57 24.41 18.01 42.76 123.96 -168.69 -120.14 135.39 0.08 99.92 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 18 E E E 71.23 8.29 24.10 32.98 114.36 -148.26 -101.95 122.97 0.57 99.43 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.01 19 L E E 15.98 19.68 12.27 32.02 123.32 -149.42 -86.84 164.09 37.16 62.74 0.10 36.56 0.68 0.11 0.02 0.06 0.00 61.65 0.93 20 E C T 131.18 4.82 15.51 22.00 91.05 -104.63 -62.43 -24.53 97.45 0.80 1.75 0.52 3.87 93.33 0.06 1.56 0.00 0.57 0.10 21 N C T 106.12 2.92 15.58 19.29 92.61 57.59 -86.13 -0.33 98.03 0.13 1.84 0.26 3.28 94.59 0.04 1.73 0.00 0.07 0.03 22 G C S 41.31 4.83 16.07 22.10 98.19 -100.58 90.54 4.49 98.12 0.63 1.26 12.74 82.69 2.98 0.08 0.99 0.00 0.36 0.17 23 S C C 30.72 10.97 15.17 27.90 118.90 135.95 -75.00 148.13 90.36 9.62 0.02 90.18 0.69 0.06 0.00 0.01 0.00 8.66 0.39 24 T E E 43.60 13.31 19.76 33.63 127.30 -159.56 -124.85 140.93 0.54 99.46 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.43 0.04 25 Y E E 18.60 20.85 19.39 40.33 126.38 -169.30 -124.17 138.84 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 26 R E E 91.22 11.52 25.30 36.74 124.73 -164.23 -119.02 135.55 0.19 99.81 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.84 0.00 27 G E E 6.88 16.44 21.73 38.55 144.40 123.62 -165.94 -175.46 0.96 99.04 0.00 0.73 0.08 0.00 0.00 0.00 0.00 99.18 0.00 28 K E E 80.85 8.26 26.21 35.49 122.88 -68.48 -110.02 139.69 0.56 99.43 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 29 L E E 10.33 23.97 14.83 39.61 109.33 -115.30 -73.54 125.49 0.65 99.35 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.35 0.01 30 I E E 70.74 7.38 22.96 31.20 100.50 175.06 -96.83 -32.53 1.71 98.28 0.01 1.15 0.33 0.02 0.00 0.00 0.00 98.47 0.01 31 E E E 85.73 5.02 24.97 30.79 140.04 -0.52 -154.39 152.01 1.35 98.64 0.01 0.92 0.29 0.02 0.00 0.00 0.00 98.75 0.01 32 A E E 27.81 21.54 11.45 31.53 130.26 -169.57 -137.94 141.75 5.80 94.17 0.03 5.52 0.34 0.03 0.01 0.01 0.00 93.52 0.57 33 E C C 79.27 5.54 18.45 24.78 126.96 -156.99 -105.13 173.64 82.54 17.34 0.12 81.09 1.00 0.25 0.03 0.07 0.00 16.63 0.92 34 D C T 117.89 2.73 15.89 19.84 92.50 -90.88 -63.69 -21.64 98.17 0.33 1.51 0.58 4.29 93.22 0.04 1.57 0.00 0.21 0.10 35 N C T 92.47 5.01 17.63 23.44 93.87 49.89 -89.87 5.62 98.34 0.12 1.55 0.64 4.06 93.55 0.05 1.59 0.00 0.07 0.03 36 M C S 38.20 17.66 15.32 32.72 95.15 -108.11 68.58 23.30 91.82 5.72 2.46 28.07 54.58 9.27 0.23 2.42 0.00 3.83 1.59 37 N C C 45.58 9.21 22.81 33.19 115.85 144.58 -81.81 137.35 83.46 16.46 0.08 76.12 5.43 0.82 0.01 0.07 0.00 16.37 1.17 38 C E E 4.75 24.87 16.48 41.88 124.10 -158.70 -116.99 138.72 6.14 93.85 0.00 6.04 0.14 0.00 0.00 0.00 0.00 93.66 0.16 39 Q E E 47.63 10.30 26.76 37.85 124.15 -166.40 -121.29 135.66 0.43 99.57 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.59 0.02 40 M E E 11.82 23.56 16.49 40.20 121.48 -162.98 -114.80 131.03 0.41 99.59 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 41 R E E 93.79 7.24 22.39 30.18 130.84 -174.48 -127.19 151.25 3.76 96.24 0.00 2.36 0.98 0.05 0.00 0.00 0.00 96.59 0.01 42 D E E 97.92 3.45 22.69 26.44 92.83 7.16 57.50 46.28 3.91 96.09 0.00 2.54 0.81 0.05 0.00 0.00 0.00 96.59 0.01 43 I E E 11.85 22.83 12.16 34.92 117.66 166.88 -89.35 137.10 1.20 98.80 0.00 1.11 0.02 0.00 0.00 0.00 0.00 98.86 0.01 44 S E E 36.67 7.44 24.59 32.72 121.17 -155.03 -110.24 136.72 0.23 99.77 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 45 V E E 14.96 20.08 14.68 34.93 126.48 -171.40 -126.28 140.97 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 46 T E E 48.64 6.71 19.07 27.34 117.44 -148.52 -109.31 127.81 0.84 99.16 0.00 0.75 0.03 0.00 0.00 0.00 0.00 99.16 0.05 47 A C C 26.74 11.74 11.32 24.39 122.32 -148.90 -86.20 167.78 70.16 29.74 0.10 68.35 0.92 0.15 0.02 0.05 0.00 29.70 0.81 48 R C T 167.17 3.50 11.86 17.16 92.50 -96.75 -63.05 -26.92 97.61 1.18 1.22 0.93 4.75 92.02 0.04 1.22 0.00 0.91 0.13 49 D C T 119.71 0.84 12.34 12.44 93.59 54.28 -86.57 2.11 98.73 0.13 1.14 0.53 3.64 94.51 0.04 1.18 0.00 0.08 0.03 50 G C S 51.02 2.95 11.30 15.80 96.86 -101.29 87.24 4.99 97.79 0.93 1.28 19.53 74.82 3.63 0.10 1.09 0.00 0.56 0.27 51 R C C 131.47 2.94 12.54 17.27 117.30 136.03 -80.21 141.88 93.01 6.96 0.03 92.15 1.23 0.10 0.01 0.02 0.00 6.07 0.43 52 V E E 85.17 9.34 11.30 22.08 122.02 -151.33 -114.00 135.51 2.37 97.63 0.00 2.24 0.09 0.00 0.00 0.00 0.00 97.43 0.23 53 S E E 45.43 7.96 15.24 24.87 129.98 -177.29 -129.19 149.93 0.67 99.33 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.38 0.01 54 H E E 121.42 6.77 15.61 24.32 120.28 -142.21 -110.34 134.26 1.75 98.25 0.00 1.50 0.10 0.01 0.00 0.00 0.00 98.36 0.03 55 L E E 43.57 14.98 11.72 27.09 122.04 -165.39 -112.46 137.76 16.29 83.69 0.02 15.97 0.29 0.02 0.00 0.01 0.00 83.59 0.11 56 D E E 99.20 3.33 19.19 23.05 102.45 -151.15 -79.65 -33.05 25.84 74.13 0.03 10.85 13.73 0.43 0.00 0.02 0.00 74.90 0.07 57 Q E E 95.25 7.71 18.27 26.69 121.61 10.00 -140.22 130.90 7.10 92.89 0.02 5.40 1.04 0.06 0.00 0.01 0.00 93.44 0.04 58 V E E 24.92 18.94 14.82 33.80 123.87 -173.10 -123.07 134.51 0.66 99.34 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.34 0.02 59 Y E E 107.11 8.51 23.29 32.24 118.76 -151.01 -104.29 127.40 0.42 99.58 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.02 60 I E E 14.65 22.20 15.11 37.41 123.37 -171.46 -121.32 133.79 5.44 94.56 0.00 5.36 0.09 0.00 0.00 0.00 0.00 94.36 0.18 61 R C C 106.63 5.75 23.50 29.25 113.75 -125.85 -78.97 134.57 74.19 25.67 0.14 72.29 1.26 0.13 0.02 0.11 0.00 25.84 0.36 62 G H G 18.55 18.69 13.17 31.36 92.60 -130.42 -60.32 -34.27 12.60 0.56 86.84 1.44 1.93 7.29 0.41 88.49 0.00 0.42 0.02 63 S H G 79.79 2.91 20.50 23.90 90.52 65.40 -70.10 -17.40 10.82 0.33 88.85 0.55 1.14 7.34 0.34 90.36 0.00 0.24 0.01 64 H H G 81.81 10.03 17.46 28.35 95.76 54.37 -96.38 -3.89 11.45 0.53 88.02 1.52 1.57 6.48 0.44 89.52 0.00 0.45 0.02 65 I E E 18.29 23.13 10.38 32.78 112.75 97.47 -85.96 122.63 17.68 82.20 0.11 17.05 0.93 0.07 0.03 0.07 0.00 81.01 0.84 66 R E E 128.71 4.28 20.58 25.72 100.06 175.70 -95.83 -33.50 19.65 80.33 0.02 10.25 9.62 0.13 0.00 0.01 0.00 79.89 0.10 67 F E E 93.71 5.92 22.08 28.95 138.81 3.36 -152.55 149.04 1.04 98.95 0.01 0.85 0.12 0.02 0.00 0.01 0.00 98.96 0.04 68 L E E 39.29 21.07 14.25 34.41 122.84 -158.76 -125.13 128.31 0.49 99.51 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.47 0.03 69 I E E 76.58 7.10 22.66 30.35 116.41 -162.90 -113.61 121.29 4.98 95.01 0.01 4.86 0.16 0.01 0.00 0.00 0.00 94.74 0.23 70 V C C 35.60 18.41 13.61 31.57 117.87 -165.51 -108.34 133.10 85.58 14.36 0.07 83.93 0.90 0.05 0.02 0.02 0.00 14.92 0.16 71 P C C 40.85 9.14 15.65 26.68 113.83 -111.57 -66.37 149.26 81.89 5.03 13.08 75.92 3.47 3.38 5.27 6.99 0.00 4.20 0.77 72 D H G 94.80 4.89 16.22 22.08 93.94 -114.78 -61.97 -29.63 32.80 0.65 66.55 9.12 5.99 16.80 23.22 44.23 0.01 0.35 0.27 73 M H G 91.28 6.56 15.00 22.80 92.77 65.10 -68.80 -22.09 22.80 0.59 76.61 6.86 3.26 11.44 28.61 49.29 0.01 0.35 0.18 74 L H G 40.78 16.16 11.10 26.88 93.27 64.16 -72.28 -22.36 18.24 0.82 80.94 8.38 2.85 6.80 27.18 54.09 0.00 0.47 0.23 75 R H G 140.39 6.05 15.10 22.61 93.52 70.55 -68.20 -26.66 36.51 1.00 62.49 8.03 5.85 21.09 23.23 40.66 0.08 0.51 0.54 76 N C G 114.23 2.32 16.02 18.54 97.77 44.33 -96.34 7.08 54.66 0.93 44.42 14.69 10.30 29.93 12.92 31.02 0.03 0.44 0.66 77 A C C 29.17 14.01 8.95 23.25 113.68 121.02 -74.55 141.51 75.27 0.74 23.99 46.90 21.01 7.50 11.30 12.41 0.00 0.25 0.63 78 P H G 89.69 3.48 16.02 20.13 95.73 -114.20 -63.51 -23.07 45.97 0.60 53.43 10.73 6.49 27.22 18.05 36.85 0.02 0.31 0.34 79 M H G 96.61 7.98 14.16 23.05 95.74 61.42 -76.82 -15.03 39.74 2.39 57.88 9.71 6.32 22.80 20.61 38.08 0.15 1.49 0.83 80 F H G 74.50 13.75 10.97 24.60 106.39 74.96 -87.82 75.37 42.81 8.66 48.52 22.11 9.46 12.79 18.85 28.77 0.13 5.32 2.56 81 K C C 126.37 4.90 14.51 20.78 111.50 83.87 -93.96 114.19 64.84 11.36 23.80 39.22 12.55 12.78 13.54 10.69 0.11 7.03 4.08 82 V C C 93.98 5.85 12.07 19.36 110.98 -147.11 -96.09 113.58 78.23 9.13 12.64 45.78 21.79 10.85 7.82 4.83 0.06 4.87 4.00 83 G C C 34.51 6.19 11.70 19.39 127.45 -85.74 -114.83 174.92 93.84 3.63 2.53 59.57 28.59 5.78 0.97 1.47 0.00 1.76 1.85 84 P C T 111.39 2.22 12.42 15.69 106.81 -61.55 -68.64 133.06 92.33 1.50 6.17 26.02 16.81 49.59 1.19 4.87 0.00 0.85 0.66 85 G C T 56.60 2.65 12.16 16.00 103.12 16.53 78.58 0.39 92.18 2.07 5.75 25.80 17.88 48.53 0.92 4.88 0.00 1.23 0.76 86 R C C 134.26 6.23 10.33 18.03 110.87 118.02 -89.33 119.19 88.12 6.10 5.78 53.68 22.37 11.61 1.22 4.98 0.00 3.14 2.99 87 S C C 80.67 3.35 12.33 17.22 113.59 -155.69 -97.66 127.46 90.53 7.01 2.46 59.77 23.55 6.88 0.69 1.91 0.00 3.52 3.68 88 V C C 80.63 7.65 9.30 18.41 118.58 -126.49 -99.27 134.29 95.63 3.83 0.54 70.70 23.16 1.89 0.17 0.38 0.00 2.03 1.66 89 P C C 91.25 3.65 12.21 17.36 114.35 -107.65 -69.04 149.79 97.84 1.61 0.54 78.32 16.59 2.91 0.14 0.40 0.00 0.84 0.80 90 L C C 112.43 4.74 10.57 17.26 115.91 -104.89 -79.08 141.38 98.02 1.47 0.51 81.28 15.69 1.03 0.20 0.27 0.00 0.67 0.85 91 P C C 84.11 6.08 9.70 17.49 113.31 -104.12 -67.47 147.15 94.71 2.09 3.20 76.80 10.06 7.66 0.74 2.57 0.00 1.27 0.90 92 T C C 103.78 2.89 9.83 14.43 111.16 -131.75 -88.95 121.86 88.27 6.78 4.95 62.39 13.71 11.65 1.15 4.18 0.00 4.26 2.66 93 R C C 163.49 3.16 8.56 13.62 115.66 -157.83 -104.03 132.59 83.94 10.76 5.29 48.68 20.56 14.82 1.33 4.10 0.01 6.62 3.90 94 G C C 49.28 3.41 8.80 14.02 119.35 -131.51 -89.40 165.83 88.61 7.91 3.48 50.57 22.81 15.50 0.74 2.91 0.00 5.37 2.10 95 R C C 181.05 1.68 9.45 12.45 110.46 -94.65 -85.99 126.86 91.97 5.66 2.37 84.32 2.99 4.89 0.72 1.28 0.00 3.60 2.20 96 R C C 172.86 2.62 10.16 14.45 108.74 -119.36 -83.93 118.07 99.82 0.15 0.02 99.69 0.14 0.07 0.01 0.00 0.00 0.07 0.03