# 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 87.95 10.35 15.99 26.76 116.51 -160.06 -99.86 132.54 99.86 0.14 0.00 99.87 0.04 0.01 0.00 0.00 0.00 0.08 0.00 1 E C C 101.25 8.99 16.37 26.13 121.68 -159.46 -107.33 136.50 62.63 37.23 0.14 59.61 1.25 0.35 0.03 0.08 0.00 38.08 0.60 2 T E E 29.20 15.97 15.28 31.63 126.97 -168.18 -121.89 143.29 19.97 79.96 0.07 17.32 1.89 0.20 0.01 0.05 0.00 80.25 0.28 3 I E E 58.70 11.63 21.98 33.99 124.28 -159.92 -119.38 134.64 3.20 96.78 0.01 3.05 0.14 0.01 0.00 0.00 0.00 96.66 0.12 4 A E E 9.84 21.81 17.31 38.90 126.93 -170.28 -123.95 140.13 2.05 97.94 0.01 1.94 0.08 0.01 0.00 0.00 0.00 97.92 0.04 5 K E E 91.86 9.85 24.27 34.49 125.90 -165.26 -125.00 135.79 2.25 97.73 0.01 2.06 0.12 0.01 0.00 0.00 0.00 97.74 0.06 6 H E E 31.77 20.77 15.25 35.37 120.81 -162.74 -115.04 129.81 6.90 93.04 0.05 6.61 0.32 0.05 0.02 0.02 0.00 92.79 0.19 7 R E E 124.11 6.54 22.25 29.33 101.32 -168.48 -91.30 -29.45 22.98 76.87 0.16 10.25 11.33 1.68 0.02 0.14 0.00 76.36 0.22 8 H E E 95.51 8.66 22.93 31.56 126.11 8.67 -143.81 125.59 20.70 79.13 0.17 12.87 7.26 1.37 0.02 0.16 0.00 77.91 0.40 9 A E E 10.29 23.59 14.45 37.51 121.44 140.71 -112.99 133.78 22.98 76.70 0.32 21.33 1.68 0.30 0.12 0.19 0.00 74.15 2.22 10 R C C 130.73 6.54 25.05 31.98 111.24 -154.54 -96.30 113.78 60.87 38.86 0.27 42.95 17.47 1.03 0.09 0.21 0.00 36.84 1.41 11 S C C 14.90 20.51 15.01 34.97 138.19 139.83 -139.58 162.03 91.38 8.32 0.30 61.20 30.31 0.75 0.12 0.16 0.00 6.23 1.23 12 S C C 47.58 5.28 23.30 28.49 119.79 -100.82 -76.48 158.09 98.46 1.22 0.32 97.38 1.28 0.13 0.24 0.04 0.00 0.57 0.37 13 A H H 44.33 15.38 15.09 30.24 91.83 -112.45 -58.93 -37.57 1.77 0.00 98.23 0.27 0.25 1.00 98.17 0.30 0.00 0.00 0.00 14 Q H H 116.52 2.58 22.55 24.88 91.65 54.24 -63.61 -39.76 0.86 0.00 99.14 0.10 0.07 0.56 99.01 0.27 0.00 0.00 0.00 15 K H H 66.43 12.60 20.95 33.35 91.98 48.49 -66.55 -39.50 0.51 0.00 99.49 0.09 0.04 0.28 99.31 0.28 0.00 0.00 0.00 16 V H H 2.80 26.31 16.42 43.20 91.22 51.77 -63.00 -42.94 0.15 0.00 99.85 0.02 0.01 0.07 99.86 0.04 0.00 0.00 0.00 17 R H H 102.54 10.89 23.81 34.40 91.29 52.08 -62.62 -41.35 0.09 0.00 99.91 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 18 L H H 67.45 5.97 25.95 32.45 91.56 50.36 -63.83 -42.14 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 19 V H H 4.01 24.18 21.69 45.61 91.79 48.68 -64.32 -43.69 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 20 A H H 4.27 24.76 19.73 44.34 91.05 51.51 -62.60 -41.29 0.18 0.00 99.82 0.01 0.01 0.13 99.79 0.07 0.00 0.00 0.00 21 D H H 86.06 4.74 25.90 31.23 91.37 52.75 -64.66 -36.15 0.94 0.00 99.05 0.03 0.02 0.85 98.58 0.51 0.00 0.00 0.00 22 L H H 55.93 11.68 23.05 34.79 91.86 52.37 -69.92 -28.34 3.05 0.00 96.95 0.04 0.06 3.18 95.84 0.87 0.00 0.00 0.00 23 I H H 2.32 26.61 15.59 43.10 94.81 48.93 -85.87 -18.58 15.74 0.02 84.24 0.44 0.57 14.91 82.68 1.36 0.02 0.01 0.02 24 R C T 101.11 14.26 17.54 31.63 111.75 109.54 -63.01 130.27 89.13 0.05 10.82 0.26 0.56 88.62 10.01 0.49 0.00 0.01 0.04 25 G C T 54.60 2.57 21.29 24.15 94.75 16.32 85.55 -2.58 97.95 0.01 2.04 0.18 0.74 97.13 1.82 0.13 0.00 0.00 0.00 26 K C S 63.33 13.67 14.99 29.16 123.17 123.04 -85.27 153.67 99.58 0.35 0.07 42.38 57.01 0.28 0.04 0.02 0.00 0.12 0.15 27 K E B 96.92 5.27 24.16 29.60 117.43 -104.41 -70.69 150.35 10.34 89.63 0.03 8.13 0.13 0.00 0.03 0.00 0.00 4.08 87.63 28 V H H 9.67 24.32 13.90 38.54 90.95 -113.65 -57.02 -40.39 0.71 0.00 99.29 0.07 0.05 0.50 98.52 0.85 0.00 0.00 0.00 29 S H H 58.48 6.99 22.76 30.23 91.42 53.62 -62.98 -39.87 0.27 0.00 99.73 0.02 0.01 0.21 98.97 0.79 0.00 0.00 0.00 30 Q H H 88.98 4.27 24.93 29.02 91.77 48.35 -66.19 -39.67 0.15 0.00 99.85 0.01 0.01 0.10 99.08 0.80 0.00 0.00 0.00 31 A H H 2.43 24.13 16.75 41.36 91.40 51.54 -63.57 -43.46 0.21 0.00 99.79 0.03 0.01 0.12 99.53 0.31 0.00 0.00 0.00 32 L H H 27.35 18.98 20.21 38.44 91.40 51.13 -62.66 -41.49 0.47 0.00 99.53 0.03 0.02 0.34 98.82 0.79 0.00 0.00 0.00 33 D H H 90.03 2.48 25.87 27.39 91.56 51.35 -64.10 -40.83 1.45 0.00 98.55 0.05 0.04 1.33 96.44 2.14 0.00 0.00 0.00 34 I H H 40.51 12.74 21.16 34.30 91.82 49.83 -65.17 -40.93 2.86 0.00 97.14 0.11 0.11 2.50 92.68 4.59 0.00 0.00 0.00 35 L H H 3.13 26.18 14.35 40.97 91.56 52.36 -67.69 -30.73 8.85 0.04 91.11 0.96 0.63 6.70 77.71 13.94 0.02 0.02 0.02 36 T H T 70.64 10.48 19.31 29.96 91.36 65.91 -68.81 -21.41 47.06 0.12 52.82 1.98 1.74 43.30 42.37 10.44 0.02 0.05 0.09 37 Y C T 151.36 3.51 20.41 24.12 95.18 56.25 -90.62 -5.15 66.16 0.15 33.69 3.63 4.39 57.60 25.16 9.00 0.01 0.07 0.14 38 T C S 32.03 17.30 10.84 27.59 121.21 88.97 -89.21 146.86 96.79 0.63 2.58 33.07 60.94 2.60 2.28 0.40 0.00 0.15 0.56 39 N C C 113.17 3.94 18.95 23.80 99.79 -128.89 -79.30 44.41 97.98 1.12 0.90 86.91 9.18 1.74 0.57 0.28 0.00 0.34 0.99 40 K H H 93.92 10.64 15.58 26.82 115.10 131.86 -81.17 154.17 42.11 0.44 57.45 15.84 21.93 5.60 54.96 1.18 0.02 0.09 0.38 41 K H H 124.23 4.66 22.15 27.53 93.69 -112.49 -62.71 -37.33 12.45 0.02 87.53 0.59 1.07 10.47 85.43 2.41 0.01 0.00 0.01 42 A H H 8.92 20.51 18.39 38.66 91.67 51.02 -65.59 -38.72 7.87 0.02 92.11 0.75 0.49 6.48 89.68 2.58 0.01 0.01 0.01 43 A H H 7.05 20.40 18.80 39.38 91.28 54.33 -63.02 -41.33 0.77 0.00 99.23 0.22 0.07 0.35 98.63 0.72 0.00 0.00 0.00 44 V H H 67.68 5.63 26.82 32.87 91.46 51.47 -63.47 -41.98 0.23 0.00 99.77 0.03 0.01 0.13 99.68 0.15 0.00 0.00 0.00 45 L H H 27.89 14.34 24.43 38.91 91.38 50.08 -64.35 -42.67 0.12 0.00 99.88 0.01 0.01 0.08 99.85 0.06 0.00 0.00 0.00 46 V H H 0.96 27.87 21.40 49.80 91.02 49.75 -63.65 -43.64 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 47 K H H 62.69 16.48 24.63 39.59 91.14 51.57 -62.16 -42.08 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 48 K H H 104.40 4.31 28.24 32.99 91.47 50.07 -64.35 -41.41 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 49 V H H 9.70 20.10 23.17 42.97 91.42 49.48 -63.94 -43.79 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.01 0.00 0.00 0.00 50 L H H 2.22 26.85 21.41 48.38 91.17 49.05 -63.69 -43.05 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 51 E H H 92.59 8.01 26.78 35.31 91.44 50.03 -63.77 -41.83 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 52 S H H 42.56 6.49 26.60 33.89 91.69 49.61 -64.61 -41.66 0.28 0.00 99.72 0.02 0.01 0.21 99.73 0.03 0.00 0.00 0.00 53 A H H 3.81 22.74 20.75 43.55 91.59 50.06 -64.23 -42.79 0.44 0.00 99.56 0.04 0.03 0.30 99.56 0.08 0.00 0.00 0.00 54 I H H 28.06 18.10 22.36 39.75 91.47 49.79 -63.16 -42.70 0.52 0.00 99.48 0.06 0.03 0.33 99.39 0.18 0.00 0.00 0.00 55 A H H 52.94 3.31 25.50 28.23 91.39 50.50 -63.16 -42.14 1.38 0.00 98.62 0.15 0.08 0.97 98.38 0.41 0.00 0.00 0.00 56 N H H 53.06 8.49 21.96 31.22 92.29 48.96 -66.49 -38.49 4.10 0.01 95.88 0.34 0.29 3.28 95.09 0.98 0.01 0.00 0.00 57 A H H 7.14 20.10 13.60 34.10 91.89 52.44 -64.48 -40.42 7.41 0.05 92.54 1.16 0.86 5.27 89.89 2.74 0.02 0.02 0.02 58 E H H 106.67 6.32 17.92 25.18 92.70 52.03 -66.33 -38.27 18.31 0.16 81.53 2.48 1.84 14.00 78.75 2.72 0.05 0.08 0.08 59 H H H 142.07 1.86 17.16 18.81 94.16 48.95 -73.81 -26.08 37.43 0.37 62.20 4.31 5.90 27.71 59.14 2.44 0.12 0.13 0.24 60 N C T 86.86 7.18 12.49 20.80 101.03 48.02 -93.71 1.06 75.39 0.90 23.71 12.75 22.95 39.08 20.92 3.25 0.05 0.30 0.70 61 D C T 102.74 4.04 13.86 19.01 99.50 7.68 -93.51 12.98 91.16 0.33 8.51 11.00 17.89 62.69 4.15 3.84 0.00 0.16 0.27 62 G C T 57.05 2.28 16.25 18.89 96.70 -97.68 81.71 9.11 97.44 0.24 2.33 30.17 26.92 40.24 0.43 2.00 0.00 0.12 0.13 63 A C C 26.02 15.62 10.19 26.01 118.52 145.86 -80.08 147.94 98.18 1.14 0.68 77.57 19.23 1.21 0.18 0.51 0.00 0.40 0.89 64 D C C 79.07 4.20 22.22 26.27 107.12 -123.06 -87.01 113.77 98.77 0.93 0.29 97.76 1.00 0.28 0.07 0.13 0.00 0.41 0.36 65 I H G 33.81 21.82 11.42 32.54 93.17 -164.12 -65.67 -23.96 16.07 0.59 83.34 3.79 1.98 8.02 0.75 84.99 0.00 0.44 0.03 66 D H G 102.77 4.12 19.80 25.06 90.97 66.37 -70.88 -16.73 15.91 0.52 83.58 0.99 1.71 11.19 0.58 85.08 0.00 0.41 0.03 67 D H G 84.46 5.10 20.43 26.34 96.53 52.81 -98.80 4.50 15.70 0.84 83.46 2.37 2.38 8.80 0.55 85.14 0.00 0.71 0.04 68 L C C 9.46 25.04 10.80 35.61 118.41 107.97 -84.46 138.69 59.31 40.59 0.10 53.49 4.32 0.17 0.01 0.08 0.00 41.59 0.34 69 K E E 92.01 6.41 26.59 33.56 124.58 -163.12 -121.36 137.80 1.87 98.12 0.00 1.79 0.07 0.00 0.00 0.00 0.00 97.98 0.15 70 V E E 20.68 22.80 14.63 37.47 110.28 -126.05 -82.97 121.15 0.32 99.68 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.67 0.01 71 T E E 60.54 6.80 21.90 29.61 100.90 175.61 -94.75 -33.85 1.18 98.82 0.00 0.79 0.20 0.01 0.00 0.00 0.00 99.00 0.00 72 K E E 88.61 6.22 24.16 31.33 137.84 1.13 -152.94 147.90 0.52 99.47 0.00 0.36 0.06 0.00 0.00 0.00 0.00 99.58 0.00 73 I E E 25.44 23.39 14.64 37.52 124.16 -164.15 -126.61 129.25 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 74 F E E 71.88 8.17 25.36 34.05 127.75 -172.34 -128.16 140.48 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 75 V E E 33.66 20.60 15.03 34.94 122.87 -163.16 -118.54 132.01 1.86 98.14 0.00 1.67 0.06 0.00 0.00 0.00 0.00 98.24 0.03 76 D E E 59.84 8.81 19.87 29.37 120.68 -166.40 -113.58 134.56 13.82 86.17 0.01 11.61 1.47 0.07 0.00 0.01 0.00 86.53 0.31 77 E E E 110.64 8.78 16.68 26.34 114.84 -129.57 -91.54 131.56 36.84 63.11 0.05 32.29 3.68 0.21 0.01 0.05 0.00 62.40 1.36 78 G C C 23.11 11.72 12.20 24.70 128.72 -140.96 -94.95 175.45 65.68 34.22 0.09 52.65 11.31 0.60 0.01 0.09 0.00 34.58 0.75 79 P C C 90.59 3.58 16.79 20.98 113.56 -72.26 -69.40 150.19 65.37 34.43 0.21 44.79 17.70 1.67 0.03 0.22 0.00 35.04 0.56 80 S E E 64.82 8.78 11.12 21.02 121.14 -133.04 -102.26 142.38 28.10 71.58 0.31 23.17 4.36 0.68 0.08 0.23 0.00 70.35 1.12 81 M E E 100.45 6.00 11.87 19.77 121.42 -153.61 -114.31 138.08 11.88 87.97 0.15 10.67 1.06 0.17 0.07 0.08 0.00 87.14 0.82 82 K E E 134.25 4.44 11.70 18.31 118.17 -141.94 -100.60 133.25 9.02 90.90 0.08 8.25 0.53 0.08 0.03 0.04 0.00 90.67 0.41 83 R E E 129.50 5.16 11.20 18.32 123.47 -170.28 -119.62 142.60 13.05 86.86 0.09 12.15 0.61 0.09 0.04 0.04 0.00 86.56 0.52 84 I E E 107.22 4.71 9.64 16.41 115.98 -132.39 -96.33 131.31 22.44 77.40 0.16 21.33 0.96 0.14 0.08 0.08 0.00 75.46 1.95 85 M C C 107.55 4.05 10.06 16.13 118.78 -162.82 -109.87 133.36 59.18 40.29 0.52 55.49 2.50 0.43 0.22 0.28 0.00 39.98 1.10 86 P C C 97.15 2.99 8.94 13.86 111.99 -117.08 -71.08 142.62 60.45 24.42 15.13 38.93 12.03 10.15 3.18 11.24 0.01 23.25 1.21 87 R C C 172.83 1.83 8.47 11.83 109.37 -152.92 -93.00 98.01 66.17 14.73 19.10 30.59 22.47 15.17 3.78 14.21 0.05 11.64 2.10 88 A C C 75.55 2.48 7.09 11.23 117.74 2.05 -109.73 135.17 61.60 15.38 23.01 27.71 20.44 16.55 3.99 17.15 0.16 10.42 3.57 89 K C T 180.82 0.51 8.92 9.15 101.53 -41.86 0.04 67.34 78.98 3.05 17.97 11.81 23.41 44.46 2.79 14.31 0.03 1.74 1.44 90 G C T 66.31 0.59 9.27 9.64 98.47 -25.15 80.30 -0.11 85.04 1.20 13.76 7.45 25.15 52.65 1.44 12.04 0.00 0.69 0.58 91 R C S 153.16 2.03 8.71 12.37 120.00 96.72 -107.67 144.51 66.51 22.33 11.17 24.51 24.90 19.39 2.13 8.40 0.12 15.57 4.98 92 A C C 69.29 4.68 8.48 15.09 116.18 -139.36 -93.05 137.57 62.62 31.82 5.56 41.92 12.85 8.52 1.29 4.60 0.02 27.44 3.36 93 D C C 84.71 5.01 11.02 17.81 120.77 -163.25 -109.58 141.07 58.14 39.43 2.44 39.64 13.55 5.16 0.45 1.96 0.00 38.19 1.05 94 R E E 137.18 5.30 11.83 19.04 117.45 -135.79 -95.96 133.45 36.97 62.41 0.63 31.33 4.03 0.92 0.18 0.37 0.00 62.53 0.64 95 I E E 82.70 8.02 11.92 21.55 120.58 -163.40 -110.49 134.19 9.11 90.81 0.08 8.47 0.52 0.08 0.03 0.03 0.00 90.25 0.61 96 L E E 80.99 7.92 13.43 23.03 120.41 -155.51 -109.87 133.38 4.82 95.15 0.03 4.50 0.24 0.03 0.01 0.01 0.00 94.77 0.44 97 K E E 103.57 8.55 15.21 25.08 123.46 -167.26 -118.38 138.11 13.16 86.81 0.03 11.91 0.68 0.05 0.01 0.02 0.00 87.01 0.32 98 R E E 95.93 11.51 15.99 28.07 122.06 -152.34 -108.52 137.89 25.30 74.66 0.04 24.22 0.81 0.07 0.01 0.02 0.00 74.32 0.54 99 T E E 49.05 11.71 18.93 31.13 126.62 -160.45 -119.50 147.89 29.90 70.05 0.05 28.69 1.04 0.09 0.01 0.03 0.00 69.15 0.99 100 S E E 12.71 19.40 16.61 35.99 129.27 -158.03 -126.67 148.80 20.84 79.13 0.04 18.85 1.43 0.10 0.01 0.03 0.00 78.77 0.81 101 H E E 65.96 10.55 23.94 34.85 120.88 -148.23 -112.18 132.62 13.62 86.36 0.01 11.83 1.23 0.06 0.00 0.01 0.00 86.63 0.23 102 I E E 7.94 24.04 17.83 42.11 122.37 -163.45 -115.41 132.43 4.62 95.37 0.00 4.44 0.12 0.00 0.00 0.00 0.00 95.36 0.07 103 T E E 30.29 10.90 26.19 38.01 120.88 -163.69 -114.77 131.23 0.86 99.14 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.16 0.01 104 V E E 4.90 24.69 18.81 44.03 120.46 -163.33 -114.36 128.63 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 105 V E E 33.65 10.11 26.21 37.42 119.31 -164.91 -113.28 128.94 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 106 V E E 13.59 21.98 15.94 37.99 118.99 -157.16 -105.79 130.75 2.26 97.74 0.00 2.10 0.06 0.00 0.00 0.00 0.00 97.75 0.08 107 S E E 40.64 8.46 19.50 28.78 130.05 -174.24 -122.88 158.03 27.65 72.33 0.02 26.16 0.71 0.09 0.01 0.02 0.00 72.43 0.58 108 D C C 97.06 6.46 17.18 24.57 106.98 -98.75 -74.75 115.69 99.24 0.76 0.00 99.22 0.15 0.02 0.00 0.00 0.00 0.60 0.02