# 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 104.79 7.87 12.17 21.23 115.69 -155.08 -95.72 130.07 99.79 0.20 0.01 99.76 0.09 0.03 0.00 0.00 0.00 0.09 0.02 1 N C C 115.34 3.22 10.80 15.82 113.19 -163.18 -97.71 121.68 93.95 4.49 1.56 84.68 1.85 7.66 0.49 0.80 0.00 3.03 1.48 2 G C C 48.51 4.60 9.85 16.15 114.05 -163.57 -136.73 161.86 93.27 5.14 1.59 50.33 23.44 19.75 0.28 1.48 0.00 3.31 1.41 3 T C C 103.58 2.80 10.53 14.92 111.35 -122.58 -94.10 118.02 91.65 6.87 1.48 56.82 26.36 8.52 0.33 1.34 0.00 3.81 2.81 4 T C C 82.88 5.43 9.87 17.09 117.47 -147.64 -99.75 135.94 94.57 4.99 0.44 65.19 28.15 1.63 0.14 0.32 0.00 2.86 1.72 5 P C C 93.29 4.44 11.90 17.94 108.07 -117.94 -73.68 135.31 96.45 2.44 1.11 73.48 19.30 3.76 0.42 0.67 0.00 1.34 1.04 6 W C C 126.03 8.57 9.48 19.13 115.83 -131.61 -94.34 135.85 94.63 1.16 4.21 73.80 17.86 3.03 2.73 1.36 0.00 0.47 0.75 7 P C C 85.99 4.34 13.13 18.68 105.84 -111.55 -67.77 137.36 73.08 1.56 25.36 51.11 9.54 12.13 15.11 10.49 0.00 0.83 0.79 8 E C C 125.24 4.16 12.70 18.28 102.20 -100.28 -75.66 -9.71 55.91 3.65 40.44 31.86 10.93 13.24 23.92 16.51 0.04 2.08 1.42 9 A C C 55.97 9.24 10.64 20.63 98.67 58.26 -75.00 -19.30 50.21 4.08 45.71 30.48 8.62 11.14 25.27 20.62 0.03 2.51 1.32 10 E C T 126.53 4.39 13.48 19.35 101.43 70.53 -77.99 -1.09 55.06 3.21 41.73 19.86 10.89 24.22 23.98 17.80 0.12 1.97 1.16 11 G C T 47.29 4.96 15.24 21.17 102.30 34.43 -51.65 -6.41 65.53 3.61 30.86 21.01 14.27 30.82 16.48 13.83 0.13 2.29 1.17 12 V C C 67.03 10.88 13.03 24.58 112.15 101.34 -93.46 116.50 73.32 12.45 14.23 46.92 17.96 8.36 9.20 5.32 0.04 10.29 1.91 13 V C C 70.56 10.57 15.58 26.77 115.26 -155.23 -98.70 126.55 61.17 33.00 5.82 48.96 7.72 3.02 3.91 2.09 0.01 31.92 2.37 14 V E E 55.35 12.40 16.68 29.53 114.51 -165.53 -104.22 125.47 45.34 51.63 3.03 37.45 5.12 1.96 1.76 1.20 0.00 50.97 1.54 15 V E E 69.57 11.62 18.60 30.34 121.93 -162.84 -112.84 134.18 35.17 63.59 1.24 30.27 3.13 0.96 0.60 0.52 0.00 63.49 1.03 16 R E E 45.32 17.64 17.41 34.72 130.96 -174.34 -129.96 146.47 27.39 72.29 0.32 24.68 1.73 0.31 0.13 0.14 0.00 72.30 0.71 17 K E E 103.91 8.43 23.87 32.81 119.58 -136.65 -99.85 134.46 19.70 80.19 0.11 17.52 1.41 0.16 0.03 0.05 0.00 80.42 0.40 18 A E E 5.92 22.67 17.04 39.72 138.97 167.16 -144.26 163.67 6.63 93.35 0.02 5.86 0.49 0.03 0.00 0.01 0.00 93.53 0.07 19 V E E 45.40 9.46 26.45 37.08 119.03 -120.52 -108.50 132.32 0.67 99.33 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.34 0.01 20 V E E 9.14 23.93 16.03 40.73 109.44 -125.07 -78.98 122.75 0.38 99.62 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.60 0.02 21 L E E 63.22 8.53 23.11 32.49 100.89 174.76 -97.34 -29.65 4.61 95.38 0.02 3.54 0.72 0.05 0.00 0.01 0.00 95.61 0.07 22 S E E 38.98 7.53 24.94 33.35 142.39 -1.95 -159.67 155.80 22.45 77.52 0.03 12.31 9.41 0.25 0.00 0.02 0.00 77.90 0.11 23 Y E E 50.61 21.59 14.14 34.48 130.43 -165.23 -136.95 141.63 28.30 71.60 0.10 26.30 1.53 0.11 0.04 0.04 0.00 70.96 1.02 24 V E E 59.32 7.77 20.35 29.08 121.69 -159.41 -116.38 137.46 36.90 62.99 0.11 33.81 2.16 0.25 0.04 0.07 0.00 60.50 3.16 25 G E E 28.85 11.91 12.85 25.19 132.86 -166.12 -131.51 164.67 45.45 54.43 0.12 36.57 7.74 0.79 0.04 0.12 0.00 50.68 4.07 26 S C C 53.67 5.02 14.05 20.43 130.93 -150.75 -125.54 171.99 70.68 29.09 0.22 56.66 12.34 1.31 0.07 0.21 0.00 23.35 6.06 27 H C S 164.64 1.44 11.68 13.66 95.36 -75.75 -62.28 -33.47 98.42 0.64 0.93 3.22 51.62 43.68 0.05 0.87 0.00 0.38 0.17 28 E C S 160.77 0.88 12.05 12.41 100.57 16.51 -96.19 -13.80 98.43 0.61 0.96 3.54 49.11 45.82 0.06 0.93 0.00 0.36 0.17 29 H C E 112.29 3.93 12.27 17.92 124.35 38.13 -130.04 138.68 59.11 40.03 0.86 27.15 24.71 9.48 0.16 0.87 0.01 32.66 4.96 30 R E E 118.64 9.77 11.78 22.62 118.90 -157.82 -109.98 130.97 31.27 68.52 0.22 25.69 4.14 0.47 0.12 0.13 0.00 52.99 16.46 31 D C C 48.26 9.81 15.05 26.58 111.48 -162.22 -111.59 110.89 67.17 32.76 0.07 63.24 3.04 0.26 0.02 0.06 0.00 31.83 1.55 32 P C T 73.95 8.83 17.53 27.67 93.56 -165.53 -70.24 -15.37 75.71 24.02 0.27 10.96 28.29 35.99 0.01 0.31 0.00 24.07 0.36 33 N C E 67.73 10.59 19.17 30.36 96.56 59.87 -94.10 3.77 59.27 40.48 0.25 11.63 19.21 27.69 0.01 0.29 0.00 40.91 0.26 34 R E E 49.41 15.90 20.45 36.43 125.85 86.67 -116.90 142.59 13.80 86.19 0.01 12.23 0.96 0.04 0.00 0.01 0.00 86.49 0.28 35 V E E 7.62 21.77 21.73 43.40 130.98 -172.73 -132.24 148.42 0.79 99.21 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.22 0.02 36 I E E 14.56 18.42 26.36 44.78 116.08 -139.71 -102.80 128.31 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 37 L E E 2.86 25.71 22.48 48.54 118.69 -164.03 -109.63 126.71 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.75 0.01 38 K E E 62.08 12.33 27.57 40.04 116.24 -164.22 -114.82 120.67 2.33 97.67 0.00 2.10 0.05 0.00 0.00 0.00 0.00 97.81 0.03 39 P E E 6.53 24.35 16.30 40.99 115.05 -151.09 -83.26 134.37 12.31 87.50 0.18 12.01 0.28 0.06 0.02 0.16 0.00 87.14 0.33 40 L E E 78.02 7.61 22.59 30.35 115.65 -127.45 -76.46 148.13 43.73 55.80 0.47 7.68 12.42 24.72 0.03 0.53 0.00 53.97 0.66 41 D C T 105.39 2.95 22.37 25.36 93.61 10.16 62.32 33.20 71.76 27.89 0.36 12.46 23.91 34.58 0.01 0.46 0.00 28.12 0.45 42 V C C 12.52 22.84 9.01 30.97 113.22 153.46 -90.88 125.77 66.75 33.12 0.14 65.89 1.43 0.19 0.05 0.08 0.00 27.33 5.03 43 N C C 112.85 2.75 20.67 23.95 102.28 170.40 -109.16 -10.38 97.84 2.05 0.11 77.62 20.04 0.41 0.04 0.06 0.00 1.24 0.59 44 D C S 71.17 3.32 23.03 25.78 136.71 28.80 -139.49 162.93 97.28 1.27 1.45 13.93 82.92 0.55 1.47 0.08 0.00 0.21 0.83 45 R H H 109.89 14.56 13.64 27.67 91.86 -107.58 -59.95 -36.50 1.96 0.00 98.04 0.15 0.28 1.44 96.56 1.57 0.01 0.00 0.00 46 G H H 46.83 1.88 21.57 22.16 91.57 55.05 -62.82 -40.78 1.26 0.00 98.74 0.10 0.08 0.97 96.78 2.06 0.00 0.00 0.00 47 S H H 33.15 9.01 19.23 29.49 91.98 49.40 -66.08 -38.92 0.55 0.00 99.45 0.05 0.04 0.39 97.35 2.17 0.00 0.00 0.00 48 A H H 1.74 26.31 12.53 39.31 91.26 52.78 -63.86 -41.24 0.61 0.00 99.39 0.04 0.03 0.44 97.67 1.82 0.00 0.00 0.00 49 A H H 55.39 9.91 21.87 31.86 91.27 56.36 -63.67 -33.85 6.45 0.00 93.55 0.14 0.13 6.34 83.31 10.07 0.00 0.00 0.00 50 R H H 143.68 3.60 24.46 28.47 90.96 57.88 -68.38 -25.36 28.53 0.01 71.47 0.19 0.34 31.54 59.05 8.87 0.00 0.00 0.01 51 L C T 5.12 24.08 16.52 41.30 94.13 50.82 -89.42 -13.03 51.72 0.08 48.20 0.94 1.13 51.77 37.08 8.98 0.01 0.03 0.06 52 I C T 48.28 17.42 16.77 34.47 112.01 115.12 -62.66 132.22 98.04 1.10 0.85 0.35 0.89 97.61 0.20 0.16 0.00 0.28 0.50 53 G C T 40.00 5.62 22.89 29.62 94.45 23.09 86.37 -4.98 99.85 0.10 0.05 0.12 1.14 98.66 0.00 0.02 0.00 0.05 0.01 54 R C C 68.21 14.55 18.97 33.62 121.07 127.73 -81.11 149.53 98.20 1.79 0.00 90.69 7.49 0.05 0.00 0.00 0.00 1.72 0.05 55 K E E 90.33 10.70 24.34 35.04 117.02 -122.16 -90.28 135.56 3.24 96.76 0.00 3.23 0.10 0.00 0.00 0.00 0.00 96.06 0.60 56 V E E 3.04 25.14 18.01 43.82 134.71 -175.37 -137.67 154.82 0.26 99.74 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 57 V E E 23.13 13.20 25.58 39.87 119.36 -134.03 -107.40 131.53 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 58 W E E 11.52 23.35 18.32 41.71 129.09 -171.94 -124.35 145.86 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 59 R E E 98.89 8.21 22.55 31.27 116.28 -139.38 -103.22 127.25 4.83 95.17 0.00 4.41 0.18 0.01 0.00 0.00 0.00 95.17 0.23 60 T C C 16.15 17.42 11.13 28.85 124.22 -148.71 -89.73 165.57 89.41 10.54 0.05 88.94 0.76 0.10 0.01 0.03 0.00 9.67 0.49 61 P C T 104.39 3.46 14.09 19.14 91.22 -97.83 -62.08 -22.42 97.66 0.78 1.57 9.94 9.08 78.37 0.09 1.75 0.00 0.64 0.13 62 T C T 96.01 2.29 13.23 16.31 93.67 57.49 -86.64 -0.45 98.27 0.21 1.52 9.85 8.08 80.19 0.10 1.58 0.00 0.13 0.06 63 G C S 49.43 3.12 14.22 18.46 97.96 -102.17 87.84 5.40 97.92 0.96 1.12 42.48 50.72 4.65 0.11 1.16 0.00 0.56 0.31 64 R C C 98.54 8.01 13.76 23.50 117.76 137.44 -80.58 140.68 92.93 7.03 0.05 91.23 1.61 0.22 0.01 0.03 0.00 6.50 0.40 65 K E E 99.15 10.09 18.02 28.95 120.69 -148.20 -110.11 133.70 5.00 94.99 0.01 4.73 0.19 0.01 0.00 0.00 0.00 94.60 0.46 66 L E E 14.78 20.79 17.30 38.21 123.13 -169.74 -117.00 135.63 0.94 99.06 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.12 0.01 67 V E E 52.75 11.59 24.80 36.50 122.60 -160.99 -115.38 133.44 0.81 99.19 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.26 0.01 68 G E E 6.75 16.98 21.60 38.85 144.80 123.98 -163.76 -173.45 1.05 98.95 0.00 0.85 0.07 0.00 0.00 0.00 0.00 99.08 0.00 69 K E E 82.00 8.35 26.37 35.72 123.64 -78.31 -113.54 140.94 0.52 99.48 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 70 I E E 8.52 24.57 14.21 39.77 109.65 -114.26 -74.21 124.85 1.96 98.03 0.01 1.91 0.05 0.01 0.00 0.00 0.00 97.94 0.09 71 V E E 65.63 7.48 22.85 31.13 101.71 173.97 -102.60 -27.84 22.09 77.86 0.05 14.75 6.83 0.31 0.01 0.04 0.00 77.87 0.19 72 R E E 112.51 4.16 24.55 29.27 138.78 -2.01 -151.96 154.39 29.67 70.27 0.07 12.98 16.42 0.65 0.01 0.07 0.00 69.57 0.31 73 T E E 57.42 16.60 15.83 31.39 115.08 -105.34 -73.75 136.91 44.59 55.13 0.28 41.94 1.90 0.29 0.07 0.17 0.00 54.07 1.55 74 H E E 61.19 13.03 16.14 29.62 106.58 -164.53 -105.36 39.61 44.16 55.00 0.84 37.46 3.58 0.85 0.51 0.45 0.00 38.01 19.13 75 G C T 32.61 7.92 16.99 25.79 119.89 -103.29 83.12 -160.47 78.58 9.42 12.00 13.50 25.81 39.32 0.48 12.55 0.01 6.40 1.93 76 T C T 105.93 3.62 16.27 20.63 94.78 -38.50 -73.68 -15.29 84.81 1.95 13.24 2.59 19.76 61.22 0.35 14.19 0.00 1.18 0.71 77 R C T 141.98 4.08 18.88 23.41 95.59 50.88 -91.08 1.31 85.75 1.33 12.92 2.98 14.49 67.00 0.35 13.90 0.00 0.80 0.46 78 G C T 12.38 15.96 15.94 32.43 96.58 -109.17 79.77 11.35 91.03 6.54 2.43 22.06 28.10 41.10 0.23 2.51 0.00 4.80 1.19 79 E E E 43.02 12.17 22.21 35.37 119.16 144.30 -86.27 142.06 42.95 57.01 0.04 38.77 3.64 0.15 0.01 0.04 0.00 55.34 2.06 80 V E E 5.62 24.23 19.09 43.76 121.22 -152.86 -111.04 132.08 5.03 94.97 0.00 5.06 0.13 0.01 0.00 0.00 0.00 94.17 0.62 81 K E E 49.25 12.63 27.36 40.50 121.14 -159.50 -113.65 131.17 3.06 96.94 0.00 2.92 0.05 0.00 0.00 0.00 0.00 96.98 0.05 82 A E E 2.78 25.80 18.25 44.72 125.23 -169.73 -116.73 138.04 1.08 98.92 0.00 1.05 0.01 0.00 0.00 0.00 0.00 98.93 0.01 83 V E E 47.44 9.66 27.56 38.27 118.20 -158.76 -113.57 125.21 0.33 99.67 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.65 0.02 84 F E E 14.67 23.98 13.76 37.71 121.88 -159.22 -96.19 142.74 4.11 95.89 0.00 4.24 0.05 0.00 0.00 0.00 0.00 95.19 0.52 85 K C C 97.19 7.01 21.01 28.34 117.08 -115.64 -77.23 149.48 87.78 12.17 0.05 82.86 3.85 0.23 0.00 0.05 0.00 12.58 0.42 86 P C T 98.14 4.83 18.11 24.37 111.09 -82.46 -64.51 138.75 96.50 3.07 0.42 2.37 17.88 76.38 0.02 0.48 0.00 2.54 0.32 87 G C T 51.76 3.66 20.25 24.48 97.00 22.47 84.92 -2.37 98.03 1.47 0.50 14.35 14.06 69.51 0.04 0.60 0.00 1.23 0.21 88 L C C 21.08 21.71 12.59 33.89 116.08 142.75 -78.61 136.61 96.15 3.45 0.40 81.03 14.55 0.32 0.20 0.18 0.00 1.47 2.25 89 P C C 43.51 9.40 23.22 33.33 113.42 -109.27 -67.67 145.77 97.25 0.92 1.83 94.72 1.80 1.01 0.67 0.85 0.00 0.35 0.59 90 G H G 18.21 19.92 16.12 35.17 93.24 -126.12 -60.94 -30.95 35.05 0.61 64.34 10.45 6.37 18.05 9.44 55.09 0.01 0.31 0.28 91 Q H G 106.76 6.63 21.92 29.44 91.34 64.86 -67.57 -19.94 23.82 0.74 75.44 6.18 3.66 13.33 14.16 62.02 0.01 0.45 0.19 92 A H G 30.02 15.78 18.21 33.98 91.88 68.99 -70.78 -21.47 20.50 0.68 78.83 5.43 3.59 11.09 12.93 66.38 0.01 0.39 0.18 93 L H G 45.64 18.56 17.14 34.45 104.28 68.74 -82.97 70.50 48.50 1.44 50.06 3.64 6.24 37.24 11.13 39.97 0.13 0.76 0.89 94 G C T 38.48 7.38 21.44 29.22 101.08 -41.82 92.05 5.42 89.36 1.19 9.45 12.62 8.76 68.05 2.74 6.60 0.01 0.81 0.42 95 D C C 50.51 14.36 16.02 30.26 118.38 141.45 -83.45 148.45 90.26 9.47 0.26 77.07 11.79 0.93 0.06 0.22 0.00 9.35 0.58 96 Y E E 123.86 7.02 23.09 30.64 119.24 -122.01 -96.69 137.08 23.73 76.18 0.08 22.49 0.88 0.10 0.02 0.04 0.00 75.96 0.51 97 V E E 11.80 24.11 13.26 37.17 126.59 -169.67 -121.67 142.21 3.10 96.90 0.01 2.99 0.08 0.00 0.00 0.00 0.00 96.87 0.06 98 E E E 89.35 6.41 24.08 30.83 119.93 -152.30 -107.93 132.93 0.73 99.27 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.27 0.02 99 I E E 38.79 19.46 13.40 32.35 114.98 -147.21 -96.27 126.03 3.40 96.59 0.01 3.51 0.03 0.00 0.00 0.00 0.00 96.35 0.10 100 L C C 70.41 9.37 18.76 28.70 114.03 -163.54 -100.95 124.38 95.13 4.87 0.00 95.51 0.05 0.00 0.00 0.00 0.00 4.42 0.02