# 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 116.26 5.73 12.39 19.57 112.93 -165.56 -93.23 124.89 99.91 0.07 0.02 99.83 0.08 0.04 0.01 0.00 0.00 0.03 0.01 1 S C C 71.05 5.21 10.35 17.26 114.54 -146.58 -92.39 141.73 81.93 2.25 15.81 74.52 1.77 7.47 4.03 10.02 0.00 1.54 0.65 2 E C C 131.35 4.01 11.14 16.94 113.36 -143.90 -94.01 125.71 74.70 5.12 20.18 45.99 14.97 14.18 4.19 15.90 0.00 3.60 1.17 3 Q C C 111.99 5.20 12.35 19.31 116.76 -147.75 -97.54 132.21 70.63 9.17 20.20 48.13 12.27 10.72 4.42 15.69 0.00 7.17 1.59 4 I C C 81.39 11.10 11.89 23.60 117.51 -152.14 -101.35 129.72 79.08 13.46 7.46 66.48 8.34 4.13 3.08 4.09 0.00 11.73 2.14 5 T C C 65.36 9.60 15.20 25.62 118.42 -168.31 -110.52 138.33 83.67 14.63 1.71 75.90 4.92 1.98 0.66 0.77 0.00 14.71 1.06 6 S C C 58.55 9.82 16.44 26.88 125.66 -164.09 -119.08 144.43 69.64 29.40 0.96 59.63 6.68 1.73 0.32 0.55 0.00 30.09 1.00 7 A E E 30.21 15.14 15.62 31.01 129.94 -172.68 -130.41 147.79 43.41 56.11 0.48 38.80 2.62 0.61 0.15 0.25 0.00 56.89 0.67 8 K E E 105.07 9.36 20.42 30.69 127.14 -159.59 -124.60 141.27 17.81 81.87 0.31 16.15 1.34 0.27 0.16 0.13 0.00 80.96 0.98 9 A E E 16.07 19.70 16.48 35.94 132.39 -173.20 -133.88 149.18 11.70 88.10 0.19 10.77 0.72 0.15 0.10 0.07 0.00 87.69 0.51 10 T E E 60.21 10.24 23.01 33.61 127.52 -158.61 -126.89 140.76 10.54 89.29 0.17 9.71 0.71 0.13 0.09 0.07 0.00 88.61 0.68 11 A E E 15.94 20.52 14.99 35.13 123.13 -159.61 -116.68 138.30 18.87 80.43 0.69 17.71 1.09 0.34 0.33 0.30 0.00 79.42 0.81 12 K E E 115.96 6.17 21.98 28.80 101.53 -168.53 -91.68 -28.36 36.04 63.26 0.71 15.47 18.29 2.88 0.15 0.49 0.00 62.28 0.42 13 T E E 67.72 9.08 22.14 31.10 118.87 11.83 -137.83 99.57 25.50 73.74 0.77 16.95 7.18 2.28 0.16 0.56 0.00 72.33 0.54 14 V E E 14.71 22.72 15.03 37.53 120.20 -171.14 -111.34 129.29 24.24 75.32 0.44 22.03 1.97 0.34 0.21 0.23 0.00 73.17 2.04 15 R C C 126.74 6.79 25.08 32.36 111.99 -148.09 -96.40 120.28 54.85 44.95 0.20 44.31 9.79 0.44 0.10 0.11 0.00 43.95 1.30 16 T C C 12.29 22.23 14.70 36.68 133.81 156.92 -137.45 153.99 85.25 14.60 0.16 70.31 15.67 0.25 0.10 0.07 0.00 11.24 2.34 17 S C C 39.51 6.49 22.92 29.95 116.97 -103.33 -70.51 152.52 99.57 0.31 0.12 99.28 0.38 0.04 0.10 0.01 0.00 0.14 0.06 18 P H H 50.82 15.76 15.61 31.24 91.72 -114.55 -58.00 -37.70 2.97 0.01 97.02 0.63 0.34 1.71 96.68 0.64 0.00 0.00 0.00 19 R H H 145.90 3.02 22.86 26.10 91.65 54.05 -63.57 -39.76 1.46 0.01 98.53 0.23 0.13 0.95 98.06 0.62 0.00 0.00 0.00 20 K H H 69.14 12.45 21.75 33.89 92.07 48.21 -66.61 -38.99 0.91 0.01 99.08 0.26 0.09 0.46 98.59 0.58 0.00 0.01 0.00 21 A H H 1.85 26.36 16.55 43.47 91.06 53.02 -63.16 -42.53 0.38 0.00 99.61 0.10 0.03 0.16 99.62 0.09 0.00 0.00 0.00 22 R H H 99.37 11.55 23.79 34.90 91.30 52.35 -62.48 -41.12 0.17 0.00 99.83 0.03 0.01 0.07 99.86 0.03 0.00 0.00 0.00 23 L H H 61.59 7.21 25.58 33.40 91.62 51.09 -64.00 -42.04 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 24 V H H 3.59 25.00 21.58 46.37 91.71 49.09 -64.22 -44.04 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 25 I H H 6.97 24.75 20.50 44.90 91.48 50.23 -63.01 -41.69 0.17 0.00 99.83 0.01 0.01 0.13 99.74 0.11 0.00 0.00 0.00 26 D H H 82.52 5.73 25.60 31.92 91.26 53.38 -64.54 -35.33 0.95 0.00 99.05 0.03 0.02 0.91 98.35 0.68 0.00 0.00 0.00 27 L H H 49.77 12.75 22.43 35.26 91.69 53.75 -69.46 -27.78 4.03 0.00 95.97 0.04 0.07 4.45 94.42 1.01 0.00 0.00 0.00 28 I H H 2.97 26.10 15.52 42.58 95.79 48.44 -89.02 -15.03 23.90 0.03 76.07 0.66 1.03 22.28 74.51 1.46 0.02 0.01 0.03 29 R C T 102.84 13.61 17.35 31.12 112.38 114.42 -62.37 131.52 97.33 0.05 2.62 0.24 0.53 96.94 2.08 0.15 0.00 0.01 0.05 30 G C T 54.38 2.63 21.20 24.23 94.16 16.50 83.70 -2.47 99.60 0.01 0.40 0.13 0.69 98.82 0.32 0.03 0.00 0.00 0.00 31 K C S 62.08 13.51 15.42 29.48 124.44 123.07 -88.62 154.00 99.68 0.30 0.02 49.74 49.89 0.15 0.01 0.01 0.00 0.11 0.11 32 S E B 43.64 6.36 24.08 30.87 118.82 -107.66 -73.21 156.29 8.03 91.95 0.02 5.99 0.09 0.00 0.02 0.00 0.00 3.42 90.48 33 V H H 10.54 24.07 14.81 39.14 91.25 -111.94 -57.90 -39.69 0.42 0.00 99.58 0.04 0.03 0.29 99.40 0.24 0.00 0.00 0.00 34 A H H 54.29 7.65 22.89 30.89 91.53 53.57 -62.89 -40.67 0.13 0.00 99.87 0.01 0.00 0.10 99.70 0.19 0.00 0.00 0.00 35 D H H 77.40 4.02 25.37 29.19 91.76 48.08 -65.92 -39.96 0.05 0.00 99.95 0.00 0.00 0.04 99.79 0.17 0.00 0.00 0.00 36 A H H 3.01 23.67 16.96 40.99 91.46 51.27 -63.73 -43.03 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.08 0.00 0.00 0.00 37 I H H 30.53 18.39 20.25 37.90 91.44 51.12 -62.76 -42.21 0.18 0.00 99.82 0.01 0.01 0.12 99.71 0.15 0.00 0.00 0.00 38 S H H 59.61 2.72 25.06 26.60 91.37 51.40 -63.67 -41.65 0.57 0.00 99.43 0.02 0.01 0.52 98.59 0.86 0.00 0.00 0.00 39 I H H 43.76 11.81 20.74 33.17 91.77 49.76 -65.02 -41.10 1.30 0.00 98.70 0.04 0.04 1.17 95.92 2.83 0.00 0.00 0.00 40 L H H 4.62 25.37 13.76 39.34 91.40 52.85 -67.14 -33.49 3.94 0.01 96.05 0.23 0.18 3.30 86.12 10.16 0.00 0.00 0.00 41 K H H 120.24 7.56 19.19 27.88 90.99 62.81 -65.87 -24.22 38.72 0.04 61.24 0.72 0.86 38.58 52.53 7.25 0.01 0.02 0.04 42 F C T 142.50 2.82 19.32 22.15 95.06 50.71 -91.30 -5.49 61.74 0.07 38.19 1.59 2.80 57.83 31.62 6.06 0.01 0.03 0.07 43 T C S 27.39 17.95 9.03 26.34 117.40 98.92 -85.85 135.81 99.55 0.24 0.21 35.78 63.36 0.43 0.15 0.04 0.00 0.05 0.19 44 P C C 108.96 2.29 18.52 20.86 96.32 -130.48 -74.57 4.38 99.45 0.31 0.24 67.65 29.86 1.91 0.09 0.12 0.00 0.10 0.26 45 N C S 61.28 12.36 12.32 25.16 121.38 105.46 -92.44 147.19 93.92 1.65 4.43 39.62 50.47 3.43 3.08 1.02 0.00 0.31 2.06 46 K C T 145.93 2.97 19.91 23.74 93.72 -126.92 -65.00 -25.76 76.02 0.30 23.68 2.99 11.26 61.79 15.98 7.50 0.03 0.12 0.34 47 S C T 17.20 18.80 16.06 34.60 93.43 57.53 -80.38 -14.69 68.13 0.16 31.72 6.28 5.11 55.87 25.65 6.86 0.01 0.06 0.15 48 A H H 11.50 20.35 15.88 36.32 92.04 85.45 -61.27 -38.27 4.92 0.02 95.06 2.12 0.68 1.85 93.65 1.70 0.00 0.01 0.01 49 G H H 33.89 5.18 24.64 30.14 91.36 55.00 -63.14 -39.67 1.61 0.00 98.38 0.44 0.13 0.81 97.99 0.63 0.00 0.00 0.00 50 I H H 43.18 12.17 23.70 36.04 91.83 50.27 -65.25 -41.96 0.33 0.00 99.67 0.07 0.02 0.17 99.47 0.27 0.00 0.00 0.00 51 I H H 1.92 27.08 20.10 47.53 91.49 49.75 -64.07 -43.28 0.08 0.00 99.92 0.01 0.00 0.04 99.89 0.05 0.00 0.00 0.00 52 E H H 54.05 16.45 23.49 38.63 91.21 51.75 -62.20 -42.21 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 53 K H H 113.00 3.39 27.77 31.17 91.52 50.21 -64.33 -41.09 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 54 V H H 12.25 18.78 22.85 41.46 91.45 49.59 -63.91 -43.80 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 55 L H H 2.33 26.91 21.08 48.16 91.22 49.04 -63.65 -42.94 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 56 M H H 86.46 8.96 26.38 35.60 91.45 50.36 -63.90 -41.94 0.16 0.00 99.84 0.01 0.00 0.11 99.86 0.01 0.00 0.00 0.00 57 S H H 44.13 5.83 26.73 33.27 91.64 50.15 -64.38 -42.08 0.45 0.00 99.55 0.03 0.02 0.33 99.58 0.03 0.00 0.00 0.00 58 A H H 4.01 22.32 20.87 43.23 91.49 49.81 -64.01 -42.81 0.55 0.00 99.45 0.08 0.04 0.37 99.45 0.06 0.00 0.00 0.00 59 V H H 19.53 19.22 22.03 40.55 91.46 49.82 -63.18 -42.76 0.42 0.00 99.57 0.07 0.03 0.25 99.55 0.09 0.00 0.00 0.00 60 A H H 52.36 3.30 25.49 28.19 91.29 50.13 -62.79 -42.30 0.77 0.00 99.23 0.09 0.05 0.51 99.21 0.14 0.00 0.00 0.00 61 N H H 54.56 7.61 22.47 30.83 92.13 48.67 -65.73 -40.16 2.00 0.01 97.99 0.20 0.15 1.45 97.89 0.30 0.00 0.00 0.00 62 A H H 5.32 20.84 13.78 35.14 91.82 51.53 -64.72 -41.53 2.98 0.02 97.01 0.42 0.31 2.05 96.55 0.65 0.01 0.01 0.01 63 E H H 92.81 8.50 16.88 26.10 92.57 49.67 -65.76 -39.54 7.35 0.05 92.61 0.80 0.72 5.71 91.76 0.94 0.03 0.02 0.03 64 N H H 123.27 0.99 18.07 17.29 95.41 42.21 -73.34 -35.52 18.81 0.04 81.15 0.83 1.33 16.50 80.12 1.16 0.03 0.01 0.03 65 N H H 95.23 4.70 15.08 20.79 101.11 30.72 -93.38 -25.93 44.23 0.10 55.67 2.00 4.16 36.52 55.92 1.27 0.03 0.03 0.07 66 F C S 75.70 11.46 11.27 23.38 107.51 26.39 -116.72 10.65 79.49 0.54 19.96 15.06 34.28 29.19 18.85 1.93 0.01 0.15 0.51 67 D C C 131.43 0.74 18.36 17.17 94.77 -119.46 53.26 40.98 99.56 0.10 0.35 63.13 15.27 21.16 0.09 0.23 0.00 0.05 0.07 68 L C C 33.00 18.20 8.45 25.65 122.13 146.77 -95.86 146.84 99.41 0.43 0.16 89.03 9.87 0.42 0.06 0.08 0.00 0.13 0.41 69 D C C 86.81 2.95 22.74 24.83 107.58 -121.32 -83.41 115.11 99.64 0.26 0.11 99.22 0.43 0.11 0.03 0.03 0.00 0.09 0.10 70 V H G 39.82 20.45 11.36 30.98 93.24 -161.11 -65.27 -26.89 10.93 0.22 88.85 1.35 1.15 6.58 0.60 90.15 0.00 0.16 0.01 71 E H G 134.44 3.31 20.28 24.46 90.88 66.27 -69.14 -18.29 11.07 0.24 88.69 0.51 0.94 8.00 0.47 89.88 0.00 0.19 0.01 72 S H G 50.68 7.62 19.52 28.37 96.14 54.26 -94.85 2.33 11.67 0.48 87.84 1.37 1.53 6.75 0.46 89.47 0.00 0.40 0.02 73 L E E 7.94 25.11 12.34 37.59 117.99 104.00 -89.53 134.27 29.62 70.27 0.11 26.14 3.19 0.15 0.02 0.08 0.00 69.98 0.43 74 V E E 46.79 9.19 26.80 36.70 124.01 -166.75 -119.63 135.16 1.16 98.84 0.00 1.02 0.06 0.00 0.00 0.00 0.00 98.83 0.08 75 V E E 18.51 23.09 15.87 38.97 110.44 -126.75 -83.17 120.86 0.35 99.65 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.66 0.01 76 S E E 49.49 7.41 22.39 30.58 100.65 175.95 -94.09 -33.66 1.83 98.17 0.00 1.11 0.45 0.02 0.00 0.00 0.00 98.42 0.01 77 E E E 84.52 5.71 24.69 31.31 139.71 1.12 -154.66 149.13 0.87 99.13 0.00 0.57 0.12 0.00 0.00 0.00 0.00 99.30 0.00 78 A E E 17.71 23.85 13.61 36.70 129.97 -171.04 -135.28 139.73 0.65 99.35 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.42 0.00 79 F E E 80.49 7.22 25.72 33.53 130.60 -174.03 -134.42 143.52 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.01 80 V E E 39.00 20.17 14.80 34.14 121.54 -158.65 -115.38 131.35 1.68 98.32 0.00 1.51 0.06 0.00 0.00 0.00 0.00 98.40 0.03 81 N E E 65.55 8.06 20.22 28.90 125.60 -170.70 -122.43 142.79 11.63 88.35 0.01 9.69 1.39 0.08 0.00 0.01 0.00 88.51 0.31 82 E E E 113.89 8.10 16.77 25.93 115.60 -125.66 -88.40 133.62 30.73 69.20 0.07 27.00 3.03 0.23 0.02 0.06 0.00 68.16 1.51 83 G C C 22.09 12.92 11.36 24.68 127.78 -145.59 -94.00 174.61 66.77 33.11 0.12 55.63 9.42 0.60 0.02 0.12 0.00 33.26 0.95 84 P C C 88.42 3.62 16.48 20.74 113.69 -72.99 -69.66 150.37 69.22 30.29 0.49 44.94 21.20 2.78 0.08 0.47 0.00 29.56 0.97 85 T E E 83.46 7.53 11.07 20.01 118.29 -128.79 -102.03 137.00 49.13 49.72 1.15 36.54 11.18 2.12 0.38 0.86 0.00 45.73 3.18 86 M E E 105.56 5.61 10.85 18.41 120.05 -154.89 -108.54 135.64 38.07 60.96 0.97 32.46 4.82 0.86 0.47 0.54 0.00 57.75 3.10 87 K E E 138.55 3.64 11.32 17.13 117.64 -144.92 -100.12 132.89 36.39 63.12 0.49 32.74 2.76 0.47 0.21 0.25 0.00 61.89 1.69 88 R E E 139.13 4.43 10.69 17.17 122.08 -163.93 -114.23 141.53 37.92 61.69 0.39 34.54 2.70 0.42 0.18 0.21 0.00 59.83 2.13 89 F E E 128.86 4.92 8.90 15.89 117.20 -131.92 -96.77 135.19 42.63 57.01 0.36 39.20 2.45 0.36 0.21 0.20 0.00 51.95 5.64 90 R C C 148.45 2.95 10.55 15.39 120.10 -161.59 -112.11 132.08 67.58 32.00 0.42 63.23 3.35 0.40 0.20 0.22 0.00 30.76 1.84 91 P C C 93.31 3.44 8.47 13.92 113.27 -112.72 -69.91 143.41 58.21 28.92 12.87 45.05 7.33 5.71 5.70 7.48 0.02 24.90 3.80 92 R C C 158.69 2.44 7.96 12.14 110.80 -147.45 -90.46 152.12 57.83 9.07 33.09 37.21 11.01 10.34 6.95 25.75 0.02 6.71 2.01 93 A H G 92.50 1.15 7.43 9.49 109.52 -75.50 -75.21 127.54 42.95 8.38 48.68 13.08 12.10 21.03 5.15 40.66 0.12 5.83 2.04 94 K C G 178.63 0.52 8.62 8.79 99.56 2.14 -48.94 32.83 55.70 1.56 42.74 6.05 11.36 37.19 3.09 40.64 0.02 0.88 0.77 95 G C T 64.02 0.85 9.04 10.22 99.29 -67.22 82.55 3.23 82.02 2.09 15.89 8.91 27.33 45.51 1.36 14.78 0.01 1.23 0.86 96 S C C 67.25 2.75 8.56 13.19 121.66 113.57 -100.44 151.94 74.93 20.77 4.29 43.88 21.22 10.10 0.94 3.63 0.03 13.58 6.63 97 A C C 75.25 4.30 8.86 15.20 116.88 -131.06 -97.17 140.17 67.35 30.57 2.09 47.60 15.64 3.83 0.73 1.64 0.02 22.01 8.52 98 S C C 59.80 4.77 11.54 18.16 123.57 -165.94 -113.77 143.08 71.73 28.00 0.27 54.88 15.92 0.97 0.07 0.24 0.00 25.93 1.99 99 P C C 85.68 5.03 12.77 19.50 113.91 -104.72 -68.12 145.56 68.91 30.83 0.26 58.49 7.92 0.94 0.06 0.22 0.00 31.08 1.29 100 I E E 83.76 8.76 11.18 21.17 114.69 -148.20 -96.78 135.07 43.31 56.34 0.35 36.58 5.33 0.82 0.13 0.27 0.00 53.33 3.54 101 N E E 88.44 6.76 13.61 21.77 117.23 -141.86 -106.39 129.08 30.51 69.25 0.25 25.69 3.65 0.59 0.08 0.18 0.00 66.53 3.26 102 K E E 105.01 9.09 14.32 24.59 124.36 -161.09 -121.32 137.77 36.74 63.11 0.15 31.46 4.29 0.36 0.04 0.11 0.00 62.23 1.50 103 R E E 105.84 10.44 16.13 27.18 122.24 -147.04 -106.77 137.39 40.19 59.71 0.10 37.35 1.91 0.19 0.03 0.07 0.00 58.52 1.92 104 T E E 49.18 12.09 18.39 30.90 125.86 -160.14 -116.93 146.63 36.84 63.07 0.08 34.64 1.64 0.16 0.02 0.06 0.00 61.36 2.11 105 S E E 14.07 18.89 16.64 35.61 128.07 -155.07 -123.38 147.47 27.00 72.95 0.05 24.26 1.99 0.16 0.01 0.04 0.00 72.54 0.99 106 H E E 64.51 10.84 23.35 34.61 121.23 -147.48 -111.50 133.80 16.31 83.67 0.02 14.22 1.53 0.08 0.00 0.02 0.00 83.85 0.31 107 I E E 10.15 23.14 17.95 41.28 121.14 -161.92 -113.64 131.22 5.19 94.81 0.00 4.92 0.17 0.01 0.00 0.00 0.00 94.82 0.08 108 T E E 29.82 11.19 25.71 37.83 121.28 -165.54 -115.12 131.96 1.06 98.94 0.00 0.97 0.04 0.00 0.00 0.00 0.00 98.97 0.02 109 V E E 5.96 24.14 19.08 43.65 120.29 -162.80 -113.41 128.25 0.29 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 110 V E E 29.09 10.77 26.44 38.46 119.39 -164.74 -113.32 128.59 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 111 V E E 7.87 23.20 17.44 41.11 119.37 -161.84 -108.73 130.64 1.12 98.88 0.00 1.03 0.02 0.00 0.00 0.00 0.00 98.92 0.02 112 T E E 43.05 8.92 21.81 31.54 131.43 -177.62 -128.47 154.74 6.84 93.14 0.01 6.41 0.30 0.03 0.00 0.01 0.00 93.05 0.19 113 E E E 92.58 10.89 14.49 25.89 113.77 -110.56 -81.77 137.08 27.92 72.03 0.05 26.93 0.55 0.08 0.02 0.03 0.00 71.65 0.74 114 K C C 131.17 5.31 15.69 22.52 111.32 -113.17 -78.18 133.75 99.68 0.32 0.01 99.67 0.07 0.02 0.00 0.00 0.00 0.23 0.01