# 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 111.44 6.90 13.51 21.56 114.48 -153.35 -93.29 129.21 99.96 0.04 0.00 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00 1 A C C 64.42 7.15 11.32 19.84 114.89 -152.33 -86.46 144.72 95.14 2.83 2.03 90.17 1.00 4.64 0.56 0.95 0.00 1.91 0.77 2 D C C 103.11 4.04 13.18 18.77 109.82 -135.65 -89.76 109.03 90.59 6.24 3.17 58.39 20.51 11.63 0.56 2.96 0.00 4.48 1.47 3 V C C 72.19 11.51 11.70 23.51 112.00 -150.21 -93.84 117.19 86.44 9.21 4.35 63.36 14.80 7.90 0.79 4.03 0.00 7.15 1.98 4 T C C 81.38 6.61 16.04 23.76 114.02 127.89 -99.46 124.59 86.61 10.28 3.11 50.12 20.47 16.45 0.51 2.76 0.00 8.13 1.57 5 G C C 30.98 8.62 18.39 27.70 114.68 13.42 103.81 -165.01 81.49 17.29 1.23 38.20 29.92 13.40 0.14 1.23 0.00 16.30 0.83 6 I C E 51.84 14.04 20.29 34.34 120.21 -27.91 -101.66 137.66 54.37 45.43 0.21 45.84 6.43 0.66 0.03 0.19 0.00 46.05 0.78 7 A E E 7.86 20.95 21.49 42.25 128.52 -167.19 -121.23 146.70 11.47 88.50 0.03 10.41 0.86 0.07 0.01 0.02 0.00 88.25 0.39 8 L E E 16.26 21.07 26.43 46.49 123.96 -153.91 -117.44 134.66 1.82 98.18 0.00 1.57 0.17 0.01 0.00 0.00 0.00 98.20 0.05 9 G E E 2.09 24.39 25.62 49.14 131.66 -170.22 -124.39 149.49 0.41 99.59 0.00 0.33 0.02 0.00 0.00 0.00 0.00 99.64 0.00 10 M E E 20.61 20.53 28.16 47.67 121.12 -156.22 -117.86 129.33 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 11 I E E 2.85 26.32 24.81 51.01 122.66 -168.85 -120.02 131.14 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 12 E E E 48.40 14.37 28.13 42.44 118.14 -160.47 -108.55 126.82 0.83 99.17 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.22 0.02 13 T E E 7.14 23.31 17.62 40.95 136.10 168.29 -137.70 159.17 15.04 84.95 0.02 14.63 0.37 0.02 0.00 0.01 0.00 84.60 0.37 14 R C S 133.17 7.08 24.10 31.93 101.17 -125.79 -89.16 13.68 82.66 17.24 0.10 16.66 63.61 1.69 0.02 0.07 0.00 17.55 0.40 15 G C S 20.51 9.76 24.64 34.73 138.01 -2.49 112.16 168.46 97.25 1.75 1.00 13.71 79.46 4.52 0.56 0.28 0.00 0.88 0.59 16 L H H 51.37 19.36 18.00 36.10 92.51 -96.43 -62.83 -37.17 7.22 0.04 92.75 1.47 2.98 2.67 92.36 0.47 0.01 0.01 0.03 17 V H H 79.86 5.43 25.62 31.44 91.63 55.11 -62.75 -42.41 1.55 0.00 98.45 0.23 0.18 0.92 98.33 0.33 0.00 0.00 0.00 18 P H H 22.58 14.84 22.62 37.73 91.32 49.07 -65.18 -40.42 0.72 0.00 99.27 0.18 0.05 0.39 98.96 0.42 0.00 0.00 0.00 19 A H H 1.27 27.29 18.94 46.72 91.34 51.40 -63.41 -42.86 0.18 0.00 99.82 0.04 0.01 0.09 99.76 0.11 0.00 0.00 0.00 20 I H H 56.88 13.22 26.71 39.67 91.80 49.57 -64.10 -42.39 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 21 E H H 90.69 5.28 29.21 35.45 91.43 49.71 -63.62 -42.41 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 22 A H H 3.69 23.90 22.84 46.41 91.78 49.80 -64.10 -42.93 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 23 A H H 2.60 25.63 21.96 47.22 91.24 51.00 -62.66 -42.99 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 24 D H H 74.98 5.60 28.04 34.33 91.56 50.77 -63.58 -41.15 0.29 0.00 99.71 0.02 0.01 0.19 99.74 0.03 0.00 0.00 0.00 25 A H H 27.27 10.02 24.65 35.48 91.63 49.77 -64.85 -41.61 0.56 0.00 99.44 0.04 0.03 0.40 99.46 0.07 0.00 0.00 0.00 26 M H H 4.47 26.17 17.47 43.98 91.85 50.20 -64.78 -41.72 1.09 0.00 98.91 0.11 0.07 0.77 98.82 0.22 0.00 0.00 0.00 27 T H H 46.31 16.22 19.01 34.35 91.57 53.77 -65.35 -33.55 5.33 0.02 94.65 0.46 0.34 4.23 94.20 0.74 0.01 0.01 0.01 28 K H H 153.01 1.53 22.90 23.40 91.84 53.33 -72.21 -23.56 14.32 0.02 85.65 0.44 0.63 13.16 84.94 0.80 0.02 0.01 0.01 29 A H H 43.09 11.53 17.52 29.37 99.92 39.95 -96.88 -18.35 27.30 0.09 72.62 0.94 2.26 23.46 72.48 0.74 0.04 0.03 0.05 30 A C S 16.81 17.31 15.95 33.37 141.89 13.33 -151.12 164.02 90.70 4.39 4.91 13.09 64.26 13.23 4.16 0.99 0.02 2.94 1.32 31 E C C 121.25 3.66 24.45 28.31 105.90 -102.60 -74.99 109.57 87.99 11.66 0.35 39.59 26.49 20.40 0.05 0.32 0.00 12.79 0.36 32 V E E 9.04 25.62 10.89 36.31 125.84 153.24 -115.12 142.64 39.85 60.12 0.03 36.59 1.35 0.06 0.00 0.01 0.00 61.80 0.18 33 R E E 123.47 4.39 26.38 31.24 120.41 -154.89 -114.53 131.37 2.90 97.09 0.01 2.66 0.10 0.01 0.00 0.00 0.00 97.19 0.04 34 L E E 51.27 20.09 14.74 34.07 110.19 -126.46 -78.99 123.82 0.60 99.40 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.01 35 V E E 62.70 8.86 20.33 30.15 101.40 175.38 -98.54 -27.22 1.73 98.27 0.00 1.08 0.33 0.06 0.00 0.00 0.00 98.51 0.01 36 G E E 20.16 7.61 23.34 32.18 144.73 -20.48 -172.25 165.47 1.10 98.90 0.00 0.69 0.21 0.02 0.00 0.00 0.00 99.08 0.00 37 R E E 87.18 19.92 13.54 32.08 131.38 -155.60 -140.31 140.96 1.22 98.77 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.83 0.01 38 Q E E 86.94 5.36 22.43 28.69 129.14 -175.49 -136.64 143.33 0.89 99.11 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.19 0.01 39 F E E 118.63 9.59 14.52 25.26 112.82 -124.86 -85.27 126.27 3.06 96.93 0.01 2.71 0.14 0.02 0.00 0.00 0.00 97.06 0.07 40 V E E 61.60 10.51 12.64 24.08 110.02 -178.26 -109.51 19.88 24.78 75.00 0.21 20.07 3.67 0.77 0.03 0.19 0.00 74.80 0.46 41 G C E 52.31 2.46 15.47 18.38 115.32 -56.09 83.06 154.02 50.39 45.30 4.31 4.32 15.98 35.28 0.14 4.75 0.01 37.99 1.54 42 G C T 60.16 1.94 16.03 18.19 94.99 4.73 66.19 18.28 94.00 0.55 5.45 1.38 9.24 81.56 0.08 7.24 0.00 0.37 0.14 43 G C T 29.25 10.64 14.80 26.16 97.38 -57.02 87.97 3.82 96.04 0.85 3.12 2.43 15.23 77.32 0.06 4.18 0.00 0.66 0.14 44 Y E E 66.68 11.65 18.46 31.20 121.99 120.13 -98.59 142.17 12.53 87.45 0.02 10.61 1.43 0.11 0.00 0.01 0.00 87.21 0.63 45 V E E 10.30 20.69 18.07 39.20 127.57 -168.00 -125.34 141.21 1.01 98.99 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.06 0.03 46 T E E 22.00 14.46 25.62 40.57 120.54 -154.47 -111.29 132.68 0.48 99.52 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.56 0.00 47 V E E 3.71 25.07 21.29 46.61 124.47 -169.43 -120.51 134.53 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 48 L E E 26.75 14.70 27.67 42.89 116.84 -153.54 -103.76 126.37 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 V E E 2.37 26.21 20.34 47.30 124.41 -169.90 -119.30 137.11 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 50 R E E 77.41 11.58 26.61 38.39 126.12 -165.86 -119.21 141.98 2.29 97.71 0.00 1.90 0.16 0.01 0.00 0.00 0.00 97.88 0.05 51 G E E 13.21 13.13 21.89 35.88 143.65 87.96 157.73 -172.65 23.09 76.89 0.02 13.69 9.45 0.20 0.00 0.01 0.00 76.39 0.26 52 E C C 100.06 4.72 23.57 28.41 116.58 -39.55 -72.97 147.14 77.87 22.01 0.13 67.90 9.58 0.22 0.06 0.07 0.00 20.83 1.33 53 T H H 61.62 14.95 15.39 29.95 92.28 -112.59 -59.58 -38.15 7.10 0.03 92.86 0.59 1.40 5.12 91.58 1.25 0.03 0.01 0.02 54 G H H 45.28 2.60 23.93 25.98 91.49 53.25 -63.06 -39.13 4.42 0.01 95.58 0.27 0.41 3.63 94.35 1.32 0.01 0.00 0.00 55 A H H 29.31 12.09 20.91 33.36 92.02 49.24 -67.18 -38.44 1.58 0.01 98.41 0.28 0.16 0.99 97.17 1.39 0.00 0.00 0.00 56 V H H 3.22 26.68 16.38 43.61 91.49 51.82 -63.24 -43.61 0.33 0.00 99.67 0.06 0.03 0.16 99.64 0.12 0.00 0.00 0.00 57 N H H 74.18 9.32 26.08 35.73 91.27 50.49 -63.16 -42.17 0.23 0.00 99.77 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 58 A H H 46.70 4.33 27.62 32.34 91.14 50.03 -63.50 -42.00 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 59 A H H 4.88 22.82 21.60 44.23 91.66 50.10 -63.99 -43.09 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 60 V H H 12.65 23.18 23.17 45.46 91.53 49.66 -63.08 -42.76 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 61 R H H 132.90 3.76 28.19 32.77 91.24 50.09 -63.05 -42.05 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 62 A H H 29.99 9.15 26.25 36.48 91.43 49.43 -64.04 -42.22 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 63 G H H 2.27 24.99 20.78 45.64 91.89 50.27 -64.20 -42.63 0.39 0.00 99.61 0.03 0.01 0.27 99.63 0.05 0.00 0.00 0.00 64 A H H 23.81 16.16 23.50 39.07 91.41 50.88 -62.79 -42.80 0.45 0.00 99.55 0.05 0.02 0.29 99.56 0.09 0.00 0.00 0.00 65 D H H 84.25 2.26 28.11 29.08 91.36 49.56 -63.67 -41.32 0.88 0.00 99.12 0.10 0.05 0.59 99.05 0.21 0.00 0.00 0.00 66 A H H 17.80 13.17 21.29 35.32 91.79 50.55 -64.31 -41.94 1.26 0.00 98.73 0.12 0.08 0.93 98.42 0.45 0.00 0.00 0.00 67 C H H 7.37 23.34 14.85 38.13 91.67 51.51 -64.53 -40.30 1.92 0.01 98.08 0.24 0.16 1.37 97.23 1.00 0.00 0.00 0.00 68 E H H 124.03 4.51 20.09 25.89 91.37 52.91 -64.50 -35.19 4.97 0.01 95.02 0.38 0.28 4.27 92.96 2.09 0.01 0.01 0.01 69 R H H 163.53 1.91 20.20 21.64 92.76 51.50 -70.75 -28.52 10.24 0.03 89.74 0.49 0.66 9.15 87.97 1.70 0.02 0.01 0.01 70 V H H 52.26 13.22 13.42 26.81 99.48 44.31 -91.59 -19.63 23.31 0.18 76.51 2.67 4.89 16.50 74.15 1.52 0.07 0.05 0.13 71 G C C 37.95 5.99 16.96 23.91 124.08 -116.72 97.49 -172.11 78.47 1.06 20.47 40.53 12.09 25.13 2.81 18.43 0.00 0.56 0.45 72 D C T 118.72 2.54 17.52 20.69 104.48 -30.30 -76.23 87.24 76.21 1.17 22.62 7.32 17.61 50.10 1.23 22.57 0.00 0.71 0.45 73 G C T 35.66 9.03 18.51 27.84 99.63 29.74 83.66 -3.67 73.43 5.06 21.51 20.97 13.96 37.98 1.12 21.28 0.00 4.14 0.54 74 L E E 42.05 19.32 13.35 31.99 111.60 123.13 -78.64 123.99 32.92 65.70 1.38 29.21 3.42 0.72 0.43 0.86 0.00 64.15 1.21 75 V E E 67.96 10.04 20.21 30.48 102.74 176.40 -99.13 -29.22 14.18 85.46 0.36 11.06 3.04 0.44 0.12 0.20 0.00 84.76 0.39 76 A E E 41.11 8.59 22.85 32.27 141.57 -4.37 -155.73 154.59 3.73 96.06 0.20 3.11 0.42 0.13 0.05 0.08 0.00 96.13 0.07 77 A E E 36.95 20.59 14.46 33.69 130.61 -165.60 -137.19 140.85 2.68 97.20 0.12 2.27 0.25 0.07 0.03 0.04 0.00 97.29 0.04 78 H E E 88.83 7.79 22.84 31.52 127.65 -172.20 -131.15 137.60 1.47 98.49 0.04 1.27 0.12 0.02 0.01 0.01 0.00 98.54 0.02 79 I E E 70.29 14.53 17.22 31.69 117.71 -148.78 -105.77 126.68 1.55 98.43 0.02 1.48 0.06 0.01 0.01 0.01 0.00 98.38 0.06 80 I E E 55.81 11.75 15.96 28.87 115.32 -164.17 -111.29 120.41 10.14 89.77 0.09 9.94 0.35 0.05 0.05 0.03 0.00 89.01 0.56 81 A C S 60.51 7.44 16.87 25.29 104.63 -162.34 -85.82 -27.65 71.72 28.04 0.24 26.23 43.18 1.60 0.04 0.19 0.00 28.28 0.49 82 R C S 157.44 2.93 19.88 23.06 113.97 11.12 -107.88 117.12 88.23 11.38 0.39 29.13 56.79 2.46 0.07 0.32 0.00 10.44 0.79 83 V C C 51.27 17.45 10.82 27.39 114.94 -135.96 -77.12 138.38 89.13 9.83 1.03 86.32 2.81 0.85 0.38 0.53 0.00 6.64 2.47 84 H C C 72.00 8.83 13.70 24.05 115.33 -122.48 -78.22 147.82 96.86 1.49 1.65 94.73 1.70 0.90 0.83 0.48 0.00 0.61 0.75 85 S H G 87.58 2.03 14.94 17.84 91.45 -120.73 -60.91 -31.15 33.62 0.23 66.14 4.39 4.66 22.89 23.31 44.48 0.02 0.12 0.14 86 E H G 115.60 3.73 15.69 20.36 91.43 62.18 -68.37 -24.47 30.98 0.18 68.83 2.97 3.04 22.86 26.23 44.67 0.02 0.10 0.11 87 V H G 16.64 19.98 10.16 29.78 95.73 51.86 -83.91 -19.75 19.33 0.30 80.36 4.13 2.85 11.23 32.60 48.87 0.01 0.18 0.13 88 E H G 93.61 11.18 13.51 25.31 91.40 78.42 -60.37 -33.88 19.85 0.29 79.87 3.55 2.25 12.76 29.99 51.15 0.01 0.17 0.12 89 N H G 126.37 1.14 18.32 18.27 91.25 57.57 -72.85 -14.89 35.32 0.16 64.52 2.36 2.59 28.66 16.78 49.40 0.01 0.09 0.10 90 I H G 69.18 11.34 14.20 26.05 97.03 55.08 -90.20 -11.54 45.93 0.46 53.60 4.14 6.00 34.20 15.45 39.56 0.05 0.24 0.35 91 L C S 40.67 18.15 10.17 27.62 117.98 90.06 -93.59 133.69 96.41 2.06 1.53 28.74 66.49 1.37 0.99 0.41 0.00 0.65 1.33 92 P C C 74.42 6.46 15.14 22.92 112.87 -118.63 -70.61 146.78 95.12 2.26 2.62 79.82 8.21 7.16 0.85 1.62 0.00 1.41 0.93 93 K C C 145.84 3.95 13.60 19.57 112.70 -124.41 -89.07 128.32 91.18 5.75 3.07 64.08 18.74 7.88 0.93 2.22 0.00 2.88 3.27 94 A C C 59.34 8.38 9.51 19.18 119.95 -136.44 -94.35 142.86 96.22 2.87 0.90 68.62 25.59 2.13 0.29 0.57 0.00 1.57 1.23 95 P C C 92.75 4.06 10.89 16.85 112.39 -104.04 -67.94 149.52 96.37 2.15 1.48 76.44 13.44 6.48 0.34 1.17 0.00 1.40 0.72 96 Q C C 145.70 1.79 10.89 14.07 108.84 -104.07 -80.25 123.70 96.73 2.00 1.27 92.29 0.89 4.09 0.33 0.54 0.00 1.00 0.85 97 A C C 73.35 5.87 9.92 17.43 111.05 -118.45 -82.33 132.59 99.95 0.04 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.02 0.00