# 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 Q C C 121.91 3.94 15.61 20.90 113.25 -141.32 -88.77 127.43 99.93 0.06 0.00 99.91 0.04 0.01 0.00 0.00 0.00 0.03 0.00 1 I C C 88.96 10.19 11.35 22.32 117.10 -151.58 -98.53 131.49 86.95 12.53 0.52 85.06 0.86 1.02 0.14 0.24 0.00 11.49 1.19 2 T C C 67.53 8.38 14.51 24.07 121.17 -164.05 -108.83 138.68 66.47 32.90 0.63 53.49 8.84 2.24 0.13 0.52 0.00 33.90 0.88 3 S E E 56.79 10.57 16.07 27.27 129.33 -167.13 -125.31 147.42 41.14 58.37 0.48 33.18 6.29 1.18 0.09 0.37 0.00 58.22 0.66 4 A E E 24.22 16.32 15.77 32.34 132.56 -172.28 -135.52 150.48 20.70 79.12 0.18 18.57 1.57 0.23 0.04 0.10 0.00 79.08 0.40 5 K E E 103.16 9.57 21.19 31.64 128.26 -159.44 -127.76 142.08 8.30 91.62 0.07 7.48 0.71 0.10 0.02 0.03 0.00 91.31 0.35 6 A E E 14.43 20.31 16.92 36.88 133.14 -174.73 -137.28 150.79 5.52 94.43 0.05 5.01 0.38 0.06 0.02 0.02 0.00 94.36 0.15 7 T E E 58.09 10.61 23.33 34.22 129.07 -160.38 -130.43 142.29 5.40 94.55 0.05 4.90 0.37 0.05 0.02 0.02 0.00 94.41 0.24 8 A E E 16.20 20.62 15.15 35.30 123.59 -159.38 -116.64 137.88 12.59 87.21 0.20 11.86 0.75 0.14 0.06 0.09 0.00 86.76 0.33 9 K E E 116.57 6.00 22.00 28.72 101.86 -166.25 -92.34 -28.85 29.50 70.29 0.21 11.62 16.42 1.51 0.03 0.17 0.00 70.01 0.23 10 T E E 68.31 8.84 22.36 31.08 118.33 8.99 -140.60 98.09 17.43 82.37 0.20 12.53 4.27 0.81 0.03 0.15 0.00 81.88 0.32 11 V E E 14.80 22.91 14.85 37.48 120.79 -169.71 -113.90 129.08 15.79 84.08 0.13 14.93 0.99 0.13 0.05 0.07 0.00 82.25 1.58 12 R C E 128.47 6.44 25.06 31.94 110.99 -149.33 -96.33 117.43 56.24 43.69 0.07 41.92 13.38 0.34 0.02 0.05 0.00 43.44 0.84 13 T C C 12.95 22.16 14.13 35.98 133.41 151.28 -134.40 153.67 88.82 11.10 0.08 68.35 21.38 0.25 0.04 0.05 0.00 8.40 1.53 14 S C C 42.60 5.85 22.81 29.04 116.63 -103.18 -70.56 152.80 99.73 0.21 0.06 99.43 0.37 0.03 0.04 0.00 0.00 0.09 0.04 15 P H H 54.04 15.27 15.21 30.41 91.67 -114.21 -57.99 -37.88 3.00 0.01 97.00 0.52 0.33 1.85 96.55 0.74 0.00 0.00 0.00 16 R H H 148.22 2.79 22.47 25.36 91.74 54.19 -63.62 -39.72 1.51 0.00 98.49 0.18 0.13 1.04 97.91 0.74 0.00 0.00 0.00 17 K H H 69.50 12.33 21.38 33.44 92.16 48.22 -66.76 -38.98 0.96 0.01 99.03 0.23 0.09 0.53 98.40 0.75 0.00 0.00 0.00 18 A H H 2.02 26.15 16.29 42.94 91.08 52.85 -63.17 -42.49 0.44 0.00 99.56 0.11 0.04 0.19 99.55 0.11 0.00 0.00 0.00 19 R H H 100.59 11.17 23.71 34.54 91.28 52.32 -62.44 -41.12 0.19 0.00 99.81 0.03 0.01 0.08 99.84 0.03 0.00 0.00 0.00 20 L H H 61.92 7.14 25.45 33.16 91.66 51.06 -64.00 -42.09 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 21 V H H 3.80 24.94 21.41 46.18 91.78 49.03 -64.21 -44.05 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 22 I H H 7.48 24.58 20.41 44.60 91.52 50.14 -63.07 -41.70 0.16 0.00 99.84 0.01 0.01 0.12 99.75 0.11 0.00 0.00 0.00 23 D H H 82.83 5.58 25.51 31.66 91.30 53.44 -64.50 -35.60 0.88 0.00 99.12 0.02 0.02 0.85 98.34 0.77 0.00 0.00 0.00 24 L H H 50.90 12.56 22.32 34.98 91.70 53.85 -69.42 -27.24 3.99 0.00 96.01 0.04 0.06 4.44 94.35 1.11 0.00 0.00 0.00 25 I H H 3.38 25.87 15.33 42.10 95.65 48.46 -88.89 -14.47 24.37 0.03 75.60 0.64 0.96 22.94 73.87 1.53 0.02 0.01 0.03 26 R C T 104.01 13.37 17.09 30.74 112.12 114.81 -62.31 131.47 97.73 0.06 2.22 0.25 0.56 97.30 1.69 0.14 0.00 0.01 0.05 27 G C T 55.62 2.35 20.98 23.57 94.25 16.06 83.91 -2.84 99.67 0.01 0.32 0.14 0.75 98.83 0.24 0.03 0.00 0.00 0.00 28 K C C 63.78 13.20 15.20 29.02 124.39 122.79 -89.10 153.95 99.70 0.28 0.02 50.58 49.07 0.14 0.01 0.01 0.00 0.10 0.10 29 S E B 44.89 6.11 23.96 30.42 118.87 -107.09 -73.22 156.06 8.69 91.29 0.02 6.45 0.10 0.00 0.02 0.00 0.00 3.55 89.88 30 V H H 11.45 23.91 14.65 38.74 91.23 -111.85 -57.86 -39.75 0.47 0.00 99.53 0.04 0.03 0.33 99.32 0.27 0.00 0.00 0.00 31 A H H 54.86 7.46 22.74 30.60 91.49 53.62 -62.87 -40.69 0.15 0.00 99.85 0.01 0.00 0.11 99.65 0.23 0.00 0.00 0.00 32 D H H 77.69 3.94 25.27 28.98 91.73 48.11 -65.89 -39.88 0.06 0.00 99.94 0.00 0.00 0.04 99.74 0.21 0.00 0.00 0.00 33 A H H 3.05 23.60 16.86 40.83 91.46 51.32 -63.75 -43.07 0.10 0.00 99.90 0.01 0.00 0.06 99.83 0.10 0.00 0.00 0.00 34 I H H 30.45 18.35 20.17 37.82 91.43 51.15 -62.72 -42.26 0.19 0.00 99.81 0.01 0.01 0.13 99.70 0.15 0.00 0.00 0.00 35 S H H 59.84 2.67 25.04 26.48 91.36 51.40 -63.68 -41.63 0.63 0.00 99.37 0.02 0.02 0.56 98.45 0.96 0.00 0.00 0.00 36 I H H 43.83 11.73 20.67 33.06 91.76 49.86 -64.96 -41.02 1.37 0.00 98.63 0.05 0.04 1.22 95.62 3.08 0.00 0.00 0.00 37 L H H 4.63 25.38 13.65 39.22 91.42 52.85 -67.03 -33.07 4.04 0.01 95.95 0.25 0.20 3.34 86.11 10.08 0.00 0.00 0.00 38 K H H 120.38 7.56 19.05 27.75 90.99 62.85 -65.84 -23.81 38.34 0.04 61.62 0.77 0.90 37.91 53.37 6.98 0.01 0.02 0.04 39 F C T 143.75 2.70 19.22 21.90 94.90 50.85 -90.49 -5.76 61.43 0.07 38.50 1.69 2.98 57.01 32.44 5.76 0.01 0.03 0.07 40 T C S 29.45 17.43 9.38 26.34 116.72 96.61 -87.79 133.34 99.58 0.23 0.19 32.89 66.33 0.39 0.13 0.04 0.00 0.05 0.17 41 P C C 106.55 2.60 18.39 21.29 100.41 -128.24 -73.65 40.30 99.46 0.35 0.19 76.20 21.82 1.38 0.07 0.10 0.00 0.12 0.30 42 N C C 61.38 12.61 12.32 25.29 122.50 110.63 -95.09 148.48 93.95 2.03 4.02 47.04 43.50 2.81 2.70 0.98 0.00 0.36 2.62 43 K C T 146.89 2.84 19.98 23.57 93.97 -124.70 -65.06 -25.73 78.15 0.26 21.59 2.26 9.04 67.15 13.16 7.95 0.02 0.11 0.31 44 S C T 16.38 19.06 15.74 34.55 93.97 56.62 -81.51 -12.85 71.72 0.11 28.17 4.93 4.26 62.04 21.54 7.07 0.00 0.04 0.11 45 A H H 12.35 20.17 15.75 36.01 92.15 90.46 -60.72 -38.50 4.39 0.01 95.60 1.87 0.60 1.64 94.20 1.68 0.00 0.01 0.00 46 G H H 35.07 4.89 24.70 29.81 91.34 55.19 -63.24 -39.63 1.26 0.00 98.73 0.31 0.09 0.64 98.44 0.52 0.00 0.00 0.00 47 I H H 42.19 12.39 23.50 36.04 91.84 50.09 -65.33 -42.07 0.27 0.00 99.73 0.05 0.01 0.14 99.56 0.23 0.00 0.00 0.00 48 I H H 1.97 27.08 20.00 47.44 91.34 49.72 -63.94 -43.32 0.07 0.00 99.93 0.01 0.00 0.03 99.92 0.04 0.00 0.00 0.00 49 E H H 54.38 16.26 23.51 38.53 91.22 51.70 -62.16 -42.20 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 50 K H H 112.84 3.41 27.75 31.17 91.53 50.12 -64.43 -41.13 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 51 V H H 12.03 18.92 22.85 41.60 91.40 49.54 -63.75 -43.83 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 52 L H H 2.40 26.86 21.15 48.15 91.24 48.96 -63.66 -43.05 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 53 M H H 86.09 9.01 26.39 35.64 91.47 50.24 -63.93 -41.87 0.16 0.00 99.84 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 54 S H H 44.32 5.87 26.79 33.38 91.65 50.06 -64.37 -42.05 0.45 0.00 99.55 0.04 0.02 0.33 99.59 0.03 0.00 0.00 0.00 55 A H H 4.10 22.28 21.02 43.31 91.45 49.71 -64.05 -42.74 0.65 0.00 99.35 0.09 0.05 0.43 99.37 0.06 0.00 0.00 0.00 56 V H H 18.72 19.40 22.05 40.75 91.45 49.77 -63.20 -42.75 0.49 0.00 99.51 0.09 0.04 0.28 99.49 0.09 0.00 0.00 0.00 57 A H H 52.00 3.37 25.55 28.38 91.27 50.06 -62.86 -42.34 0.85 0.00 99.15 0.10 0.05 0.57 99.12 0.15 0.00 0.00 0.00 58 N H H 53.81 7.63 22.56 30.95 92.06 48.71 -65.66 -40.21 2.18 0.00 97.82 0.22 0.16 1.59 97.71 0.31 0.00 0.00 0.00 59 A H H 5.09 21.00 13.84 35.38 91.74 51.48 -64.67 -41.68 2.99 0.02 96.99 0.41 0.31 2.08 96.51 0.67 0.01 0.01 0.01 60 E H H 91.77 8.67 16.90 26.26 92.58 49.66 -65.64 -39.79 7.18 0.05 92.78 0.76 0.71 5.62 91.89 0.95 0.03 0.02 0.03 61 N H H 123.31 0.98 18.15 17.33 95.61 42.38 -73.30 -36.79 18.44 0.03 81.53 0.73 1.24 16.41 80.42 1.15 0.03 0.01 0.03 62 N H H 95.03 4.73 15.19 20.92 100.93 30.83 -92.30 -27.65 43.50 0.08 56.42 1.69 3.79 36.53 56.66 1.21 0.03 0.02 0.06 63 F C S 75.29 11.43 11.36 23.49 106.86 26.60 -115.67 8.75 79.73 0.53 19.74 14.33 35.54 28.75 18.86 1.85 0.01 0.15 0.51 64 D C C 131.26 0.75 18.39 17.24 94.48 -119.56 54.26 41.16 99.59 0.09 0.32 63.37 15.02 21.21 0.09 0.21 0.00 0.04 0.06 65 L C C 32.83 18.23 8.50 25.75 122.11 148.28 -96.31 146.07 99.41 0.43 0.16 88.68 10.20 0.46 0.06 0.08 0.00 0.13 0.40 66 D C C 86.19 2.98 22.77 24.90 107.45 -122.16 -83.48 114.28 99.58 0.31 0.10 99.14 0.45 0.12 0.02 0.03 0.00 0.12 0.12 67 V H G 38.83 20.59 11.35 31.11 93.35 -161.91 -65.00 -27.77 11.22 0.27 88.51 1.39 1.27 6.82 0.61 89.69 0.00 0.20 0.01 68 E H G 134.81 3.27 20.21 24.36 90.93 65.92 -69.33 -18.60 11.46 0.28 88.26 0.52 1.01 8.38 0.47 89.38 0.00 0.22 0.01 69 S H G 52.63 7.31 19.60 28.05 96.69 53.18 -95.19 1.98 11.85 0.52 87.64 1.29 1.51 7.10 0.46 89.18 0.00 0.45 0.02 70 L E E 8.13 24.96 12.33 37.39 117.68 105.37 -90.49 134.59 31.93 67.94 0.13 28.22 3.38 0.16 0.03 0.09 0.00 67.67 0.46 71 V E E 46.52 9.33 26.71 36.72 123.17 -166.44 -119.37 133.25 1.22 98.77 0.00 1.10 0.06 0.00 0.00 0.00 0.00 98.74 0.10 72 V E E 16.86 23.28 15.81 39.15 110.44 -128.11 -83.25 120.69 0.40 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.60 0.01 73 S E E 49.75 7.36 22.51 30.64 100.31 175.93 -93.99 -33.62 2.08 97.91 0.00 1.24 0.55 0.02 0.00 0.00 0.00 98.17 0.01 74 E E E 84.22 5.75 24.79 31.46 139.82 1.30 -154.89 149.42 0.98 99.02 0.00 0.63 0.15 0.01 0.00 0.00 0.00 99.21 0.00 75 A E E 16.69 24.02 13.74 37.04 130.15 -171.08 -134.82 139.37 0.69 99.30 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.38 0.00 76 F E E 79.35 7.43 25.90 33.96 129.61 -174.13 -134.37 141.71 0.26 99.73 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.01 77 V E E 35.99 20.64 15.01 34.85 121.82 -158.63 -115.55 131.41 1.60 98.39 0.00 1.44 0.06 0.00 0.00 0.00 0.00 98.47 0.03 78 N E E 64.45 8.38 20.52 29.43 125.34 -168.37 -118.73 140.76 14.56 85.43 0.01 12.23 1.69 0.09 0.00 0.01 0.00 85.67 0.32 79 E E E 112.05 8.50 17.06 26.47 115.31 -122.94 -88.48 133.61 37.52 62.41 0.06 32.82 3.73 0.25 0.01 0.06 0.00 61.52 1.61 80 G C C 21.23 13.21 11.61 25.20 127.53 -141.70 -89.58 174.50 69.67 30.23 0.10 57.39 10.66 0.60 0.02 0.10 0.00 30.29 0.94 81 P C C 87.38 3.80 16.75 21.21 113.85 -72.89 -69.16 149.91 70.07 29.68 0.25 46.62 21.03 1.88 0.03 0.25 0.00 29.40 0.79 82 T E E 81.21 7.84 11.34 20.55 120.00 -131.56 -103.92 138.03 39.12 60.37 0.50 31.95 6.48 0.95 0.18 0.38 0.00 57.09 2.99 83 M E E 102.10 6.14 10.94 18.99 119.76 -154.63 -106.93 135.87 27.42 72.21 0.37 24.43 2.58 0.39 0.17 0.20 0.00 69.82 2.42 84 K E E 137.05 3.75 11.62 17.48 117.87 -146.89 -99.70 134.09 26.59 73.19 0.22 24.43 1.67 0.25 0.08 0.12 0.00 71.95 1.50 85 R E E 137.96 4.71 10.79 17.50 121.88 -163.90 -114.11 141.55 33.15 66.63 0.22 30.74 1.96 0.26 0.09 0.12 0.00 65.03 1.80 86 F E E 127.33 5.03 8.93 16.01 117.25 -131.30 -96.74 135.15 43.90 55.81 0.30 40.52 2.56 0.35 0.15 0.17 0.00 51.90 4.35 87 R C C 149.39 2.90 10.60 15.37 120.02 -157.18 -111.51 132.33 68.49 31.05 0.46 63.66 3.77 0.44 0.21 0.24 0.00 29.95 1.73 88 P C C 92.66 3.53 8.43 13.98 113.07 -111.16 -70.08 143.27 59.53 28.05 12.43 46.77 7.11 5.36 5.24 7.53 0.02 24.33 3.64 89 R C C 160.36 2.36 8.00 12.09 108.44 -149.36 -91.87 151.04 57.86 7.67 34.46 36.30 11.31 11.01 6.46 27.61 0.02 5.48 1.82 90 A H G 92.53 1.13 7.44 9.47 109.11 -54.05 -75.92 124.29 44.91 6.92 48.17 13.54 12.63 21.59 4.89 40.74 0.09 4.69 1.83 91 K C G 178.35 0.54 8.63 8.85 99.70 -1.83 -36.15 32.73 55.52 1.55 42.93 6.76 12.21 35.83 3.11 40.45 0.02 0.84 0.79 92 G C T 63.91 0.87 8.97 10.22 99.37 -63.54 82.49 3.04 83.32 2.00 14.68 9.12 28.64 45.40 1.33 13.48 0.01 1.15 0.87 93 S C C 69.29 2.61 8.68 13.10 121.29 110.95 -102.16 151.11 76.53 18.53 4.94 41.13 23.73 12.08 0.99 4.18 0.03 11.41 6.45 94 A C C 74.23 4.47 8.73 15.22 117.20 -137.30 -98.59 139.82 70.30 27.37 2.33 49.83 16.11 3.96 0.80 1.79 0.02 18.93 8.56 95 S C C 60.70 4.65 11.59 18.06 123.17 -162.03 -112.36 143.33 75.78 23.97 0.25 59.22 15.44 0.88 0.06 0.22 0.00 22.22 1.96 96 P C C 85.80 5.02 12.73 19.48 114.03 -105.10 -68.02 145.44 73.98 25.85 0.17 64.98 6.58 0.65 0.04 0.15 0.00 26.60 0.99 97 I E E 83.52 8.76 11.34 21.34 115.66 -150.96 -95.97 135.36 36.45 63.37 0.18 31.73 3.75 0.41 0.07 0.13 0.00 61.14 2.76 98 N E E 86.64 6.99 13.72 22.14 119.01 -143.15 -106.66 129.32 18.00 81.90 0.10 15.81 1.67 0.22 0.03 0.07 0.00 79.79 2.41 99 K E E 103.50 9.31 14.50 24.96 124.31 -170.70 -122.17 137.90 24.04 75.89 0.06 21.54 1.85 0.13 0.02 0.04 0.00 75.35 1.07 100 R E E 104.32 10.48 16.32 27.41 122.22 -148.21 -107.13 136.91 30.71 69.23 0.06 29.15 1.14 0.10 0.02 0.04 0.00 68.31 1.26 101 T E E 48.15 12.17 18.50 31.11 126.29 -160.55 -116.65 147.91 30.94 69.01 0.06 29.52 1.18 0.10 0.02 0.04 0.00 67.51 1.63 102 S E E 13.61 18.98 16.69 35.79 127.30 -156.72 -121.92 147.12 24.08 75.89 0.04 21.97 1.48 0.10 0.01 0.03 0.00 75.54 0.87 103 H E E 64.82 10.75 23.52 34.68 121.08 -147.88 -110.44 133.32 15.81 84.18 0.01 13.75 1.44 0.06 0.00 0.01 0.00 84.48 0.25 104 I E E 9.54 23.38 17.89 41.50 121.61 -162.62 -113.96 131.76 5.07 94.93 0.00 4.81 0.16 0.01 0.00 0.00 0.00 94.95 0.07 105 T E E 29.78 11.11 25.86 37.93 121.19 -164.65 -114.81 131.31 1.05 98.95 0.00 0.96 0.04 0.00 0.00 0.00 0.00 98.97 0.02 106 V E E 5.60 24.33 19.06 43.86 120.28 -162.94 -113.52 128.45 0.31 99.69 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 107 V E E 29.10 10.74 26.51 38.51 119.56 -164.18 -113.47 128.84 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 108 V E E 7.49 23.37 17.45 41.30 119.88 -162.33 -109.26 130.88 1.02 98.98 0.00 0.94 0.02 0.00 0.00 0.00 0.00 99.02 0.02 109 T E E 43.68 8.77 21.99 31.54 131.37 -176.99 -128.68 154.18 6.58 93.41 0.02 6.16 0.30 0.03 0.00 0.01 0.00 93.31 0.18 110 E E E 92.02 11.03 14.37 25.90 113.64 -112.10 -81.18 137.22 27.72 72.23 0.05 26.73 0.52 0.08 0.02 0.03 0.00 71.90 0.72 111 K C C 131.54 5.23 15.72 22.46 111.19 -115.11 -78.49 132.27 99.71 0.28 0.00 99.71 0.06 0.02 0.00 0.00 0.00 0.20 0.01