# 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 G C C 35.03 6.05 16.36 23.50 127.97 -114.29 109.27 -172.86 99.95 0.05 0.00 99.64 0.29 0.04 0.00 0.00 0.00 0.02 0.01 1 P C C 98.60 4.04 14.41 19.78 111.45 -54.79 -71.70 142.41 96.61 1.37 2.02 70.76 3.79 21.92 0.26 1.87 0.00 1.05 0.34 2 G C C 41.79 7.06 12.53 20.80 116.93 -4.60 93.42 167.88 91.91 5.78 2.31 44.86 17.66 29.17 0.16 2.74 0.00 4.70 0.69 3 H C C 108.85 7.18 14.96 23.12 111.17 -139.31 -97.20 114.17 76.48 20.65 2.87 52.38 17.26 5.91 0.25 3.07 0.00 20.21 0.93 4 M E E 93.62 8.75 16.37 26.03 123.66 -138.98 -112.56 140.11 36.39 63.20 0.41 30.67 4.49 0.50 0.06 0.36 0.00 63.35 0.57 5 M E E 31.43 16.76 14.55 31.77 126.89 -170.16 -124.86 142.66 5.19 94.79 0.02 4.66 0.33 0.03 0.00 0.01 0.00 94.88 0.09 6 Q E E 85.99 7.68 22.03 30.22 116.84 -138.57 -100.51 129.04 0.75 99.25 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.27 0.01 7 I E E 10.65 22.38 15.16 37.71 125.46 -171.13 -121.69 138.99 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 8 F E E 63.80 8.49 24.20 33.64 116.68 -147.25 -102.56 127.28 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 9 V E E 7.74 22.96 16.05 39.29 124.53 -169.65 -119.54 136.43 0.20 99.80 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.82 0.00 10 K E E 83.21 7.40 22.72 30.71 115.72 -143.23 -102.13 124.87 1.14 98.85 0.00 1.00 0.05 0.00 0.00 0.00 0.00 98.87 0.07 11 T C C 15.36 17.36 13.12 30.98 124.21 -147.81 -88.71 167.09 65.87 34.05 0.08 64.54 0.83 0.12 0.01 0.04 0.00 33.47 0.99 12 L C T 92.24 9.42 14.49 24.91 91.41 -99.26 -63.96 -23.29 98.31 1.14 0.55 0.91 6.06 91.42 0.02 0.53 0.00 0.97 0.10 13 T C T 87.78 3.53 14.90 19.39 93.77 58.32 -86.63 -0.30 99.33 0.22 0.45 0.58 6.03 92.77 0.01 0.43 0.00 0.14 0.04 14 G C S 49.94 3.19 14.54 18.81 97.71 -100.98 87.70 4.28 99.03 0.65 0.31 15.74 81.94 1.49 0.03 0.24 0.00 0.39 0.18 15 K C C 102.76 4.85 14.36 21.13 117.97 134.85 -79.85 143.51 97.07 2.91 0.02 96.06 1.22 0.08 0.00 0.01 0.00 2.45 0.18 16 T E E 77.36 9.07 14.29 24.95 123.50 -149.50 -116.29 137.16 1.63 98.37 0.00 1.57 0.04 0.00 0.00 0.00 0.00 98.21 0.17 17 I E E 34.26 14.58 15.30 31.04 125.09 -171.67 -123.99 137.44 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 18 T E E 75.34 8.30 19.18 28.79 120.97 -154.55 -111.70 132.49 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 19 L E E 24.91 18.07 15.38 33.71 128.36 -175.37 -129.18 141.63 0.59 99.41 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.46 0.00 20 E E E 113.60 5.57 23.09 29.72 116.74 -140.86 -97.62 128.70 1.28 98.72 0.00 1.13 0.04 0.00 0.00 0.00 0.00 98.81 0.01 21 V E E 11.12 21.93 13.53 35.41 134.04 175.17 -137.18 154.84 9.34 90.66 0.00 9.55 0.09 0.00 0.00 0.00 0.00 89.64 0.71 22 E C C 93.33 4.54 24.69 28.92 116.55 -115.23 -81.45 143.64 83.15 16.84 0.01 84.00 0.28 0.02 0.00 0.01 0.00 15.37 0.32 23 P C T 35.56 19.80 13.34 32.66 91.14 -115.71 -60.81 -25.58 99.40 0.30 0.30 0.38 2.16 96.99 0.01 0.24 0.00 0.19 0.03 24 S C T 79.44 2.93 21.36 24.70 92.43 58.61 -88.70 -2.98 99.61 0.12 0.27 0.48 2.33 96.84 0.01 0.25 0.00 0.08 0.01 25 D C C 32.38 13.73 14.85 29.98 117.73 116.35 -70.97 144.61 98.67 1.19 0.14 72.88 25.80 0.22 0.03 0.10 0.00 0.58 0.39 26 T E B 45.37 7.05 23.87 31.35 123.04 -126.63 -85.67 161.58 26.61 73.16 0.22 21.09 0.59 0.02 0.17 0.01 0.00 3.19 74.94 27 I H H 12.00 24.05 14.35 38.76 90.58 -110.43 -57.96 -39.37 2.49 0.03 97.48 0.37 0.33 1.69 96.95 0.62 0.01 0.01 0.01 28 E H H 110.57 5.21 21.98 28.08 91.07 54.99 -62.70 -40.43 1.28 0.01 98.71 0.18 0.10 0.88 98.28 0.55 0.00 0.00 0.00 29 N H H 80.70 3.90 23.47 27.09 91.93 48.73 -65.73 -40.18 0.88 0.01 99.10 0.25 0.10 0.51 98.41 0.71 0.00 0.01 0.00 30 V H H 5.52 22.40 16.88 39.61 91.68 50.04 -64.63 -43.35 0.68 0.01 99.31 0.20 0.07 0.36 99.03 0.34 0.00 0.00 0.00 31 K H H 57.88 17.00 19.01 35.00 91.46 52.18 -62.09 -42.32 0.62 0.01 99.37 0.13 0.04 0.36 99.25 0.21 0.00 0.00 0.00 32 A H H 56.18 2.72 22.36 24.18 91.42 51.13 -63.35 -41.12 1.15 0.01 98.84 0.14 0.07 0.82 98.45 0.50 0.00 0.00 0.00 33 K H H 92.35 6.06 20.92 27.40 92.21 49.49 -66.64 -39.82 2.90 0.02 97.08 0.29 0.18 2.29 96.37 0.85 0.00 0.01 0.00 34 I H H 9.93 21.24 13.27 34.54 92.94 48.76 -68.21 -39.27 5.96 0.07 93.97 0.82 0.57 4.38 92.88 1.27 0.02 0.03 0.02 35 Q H H 86.16 10.31 15.52 26.28 92.59 57.78 -65.22 -32.53 24.10 0.25 75.65 3.22 1.85 18.43 74.48 1.73 0.05 0.11 0.13 36 D C T 118.32 1.19 17.26 17.40 94.11 53.53 -77.69 -13.46 57.27 0.25 42.49 5.34 4.00 45.87 42.32 2.21 0.02 0.11 0.13 37 K C S 101.40 9.00 11.89 21.75 103.43 81.12 -84.14 2.94 73.62 1.30 25.08 16.99 31.21 24.55 23.25 2.57 0.05 0.40 1.00 38 E C T 132.23 4.35 14.71 20.00 104.91 -46.28 -82.83 48.88 87.54 1.20 11.26 10.02 20.72 56.44 8.29 3.06 0.03 0.52 0.92 39 G C T 55.32 2.98 16.94 20.44 98.70 -45.40 81.57 2.66 99.25 0.24 0.51 25.19 20.37 53.69 0.10 0.42 0.00 0.14 0.09 40 I C C 24.66 18.47 9.23 27.48 115.18 136.62 -94.44 129.17 98.53 1.43 0.04 78.82 19.45 0.09 0.02 0.01 0.00 0.33 1.28 41 P C C 57.75 4.14 20.01 24.69 113.26 -113.59 -67.20 143.04 99.93 0.06 0.01 99.75 0.19 0.02 0.00 0.00 0.00 0.02 0.02 42 P H G 67.31 13.97 12.21 26.05 92.22 -117.79 -58.09 -34.27 10.16 0.07 89.77 1.15 0.82 5.99 0.58 91.41 0.00 0.05 0.00 43 D H G 116.10 1.89 18.46 20.54 91.27 60.47 -71.99 -13.16 9.79 0.12 90.09 0.59 0.78 6.73 0.56 91.26 0.00 0.08 0.01 44 Q H G 79.21 9.50 17.17 27.51 97.39 57.08 -97.65 0.96 9.97 0.44 89.59 1.90 1.44 4.89 0.62 90.79 0.00 0.34 0.02 45 Q C E 28.66 20.92 13.86 34.17 120.74 95.74 -98.32 136.65 50.30 48.80 0.89 42.04 8.36 0.69 0.26 0.65 0.00 46.30 1.69 46 R E E 96.20 9.22 25.32 34.94 128.91 -170.61 -130.11 142.19 7.82 91.90 0.27 7.43 0.45 0.11 0.16 0.10 0.00 90.33 1.43 47 L E E 14.03 22.88 18.40 41.19 116.98 -142.52 -100.96 128.06 3.04 96.86 0.09 2.70 0.22 0.03 0.04 0.03 0.00 96.79 0.19 48 I E E 34.83 12.76 22.76 36.45 119.41 -163.95 -114.87 127.12 4.12 95.58 0.30 3.21 0.52 0.21 0.10 0.11 0.00 95.72 0.14 49 F E E 35.11 17.65 16.35 33.97 121.42 -172.59 -122.17 127.91 7.09 92.45 0.46 5.46 1.51 0.56 0.22 0.23 0.00 90.66 1.35 50 A C T 53.62 11.95 15.76 27.79 100.46 -56.65 -11.44 78.98 83.30 14.95 1.74 2.80 7.34 75.15 0.21 1.21 0.00 12.67 0.60 51 G C T 57.08 2.84 17.10 20.55 96.66 -16.34 82.76 0.33 96.51 2.17 1.32 3.04 11.41 82.13 0.13 1.18 0.00 1.88 0.23 52 K E E 111.62 5.00 15.80 22.66 125.80 103.62 -114.49 145.31 35.70 62.81 1.49 20.95 14.12 4.37 0.34 1.24 0.01 55.65 3.31 53 Q E E 118.49 5.08 17.42 24.09 114.34 -114.13 -80.69 135.19 31.85 67.47 0.68 27.47 2.69 1.00 0.36 0.41 0.00 60.55 7.52 54 L C C 22.53 21.51 8.76 29.01 115.83 -123.89 -85.73 135.62 82.72 17.00 0.28 81.19 1.64 0.29 0.09 0.14 0.00 14.77 1.86 55 E C C 125.23 2.80 19.06 22.08 118.14 -147.93 -96.83 144.17 96.74 2.99 0.28 93.75 2.20 0.83 0.07 0.15 0.00 1.88 1.12 56 D C T 109.98 4.58 14.17 20.52 106.35 -77.47 -59.49 118.63 98.95 0.36 0.70 1.10 4.76 93.21 0.12 0.49 0.00 0.19 0.14 57 G C T 52.72 3.54 16.59 20.95 96.45 11.50 85.88 -1.41 99.26 0.22 0.51 2.08 4.51 92.71 0.06 0.44 0.00 0.16 0.04 58 R C C 87.73 9.15 14.98 25.58 120.85 122.59 -85.88 147.73 89.10 10.67 0.23 72.79 16.22 0.48 0.07 0.18 0.00 7.35 2.91 59 T E B 36.92 8.99 20.12 30.30 123.66 -133.64 -94.04 158.57 27.44 72.32 0.24 22.44 1.12 0.08 0.16 0.05 0.00 10.71 65.44 60 L H G 13.71 23.64 12.90 36.57 91.76 -109.27 -60.03 -35.95 33.42 0.96 65.62 3.26 3.86 25.94 4.90 61.12 0.01 0.65 0.27 61 S H G 66.29 6.64 18.05 25.78 91.34 61.12 -65.21 -32.14 26.94 0.21 72.85 1.10 1.72 22.92 5.20 68.87 0.00 0.14 0.05 62 D H G 100.71 2.84 18.87 21.98 91.75 56.70 -72.20 -21.75 24.21 0.17 75.62 1.21 2.03 20.24 6.23 70.14 0.00 0.10 0.06 63 Y C G 49.91 17.20 12.64 29.51 99.21 52.19 -100.24 7.10 55.27 0.80 43.93 5.22 15.12 34.05 6.42 38.12 0.03 0.39 0.63 64 N C T 116.65 2.60 22.38 24.92 95.51 -120.74 59.36 42.45 95.46 1.95 2.59 23.55 6.89 65.39 0.61 1.78 0.00 1.23 0.55 65 I C C 14.42 24.18 8.87 31.99 114.77 168.46 -85.09 129.95 88.17 11.34 0.49 86.12 1.94 0.30 0.24 0.15 0.00 4.26 6.99 66 Q C C 102.25 3.37 21.91 25.13 126.32 -165.89 -112.31 159.54 94.77 4.55 0.68 92.99 1.28 0.65 0.21 0.28 0.00 2.81 1.78 67 K C T 126.86 7.51 15.72 24.22 100.35 -89.87 -63.43 -22.89 92.36 3.76 3.88 2.63 11.96 78.09 0.46 3.25 0.00 3.22 0.39 68 E C T 134.63 3.28 19.04 22.64 97.47 33.57 -36.81 8.20 92.35 3.95 3.69 4.10 9.68 78.13 0.34 3.47 0.00 4.08 0.19 69 S C C 21.96 15.32 13.70 29.69 117.65 129.32 -77.68 148.89 90.95 7.69 1.36 73.24 16.03 1.34 0.16 1.34 0.00 7.30 0.58 70 T E E 54.50 9.49 22.60 32.75 121.12 -140.03 -111.48 134.09 20.15 79.72 0.13 19.11 1.10 0.16 0.03 0.09 0.00 78.72 0.80 71 L E E 9.64 24.11 16.86 41.12 123.86 -166.12 -117.22 135.06 2.02 97.97 0.01 1.96 0.09 0.01 0.00 0.01 0.00 97.83 0.10 72 H E E 61.70 10.53 26.06 37.02 118.10 -154.81 -107.23 127.65 1.07 98.92 0.01 1.03 0.05 0.01 0.00 0.00 0.00 98.89 0.02 73 L E E 8.82 24.21 18.17 42.56 119.84 -164.00 -110.38 129.01 1.18 98.81 0.01 1.15 0.05 0.01 0.00 0.01 0.00 98.77 0.02 74 V E E 37.96 10.45 25.23 36.54 119.80 -165.14 -115.25 127.94 1.88 98.11 0.01 1.79 0.07 0.01 0.00 0.00 0.00 98.08 0.04 75 L E E 19.74 21.50 16.84 38.20 120.66 -161.71 -110.60 132.08 4.40 95.58 0.01 4.26 0.17 0.02 0.00 0.01 0.00 95.44 0.10 76 R E E 106.18 7.53 22.07 30.15 120.30 -160.26 -109.45 130.95 11.19 88.74 0.07 10.43 0.57 0.08 0.02 0.03 0.00 88.54 0.33 77 L E E 59.45 15.51 12.49 27.80 116.31 -144.18 -92.32 132.13 35.55 64.09 0.36 31.59 2.90 0.68 0.11 0.24 0.00 63.18 1.28 78 R C C 142.46 4.76 13.82 20.12 117.74 -155.00 -103.13 136.70 63.55 35.68 0.78 45.80 11.21 6.05 0.17 0.71 0.00 34.20 1.86 79 G C C 56.34 2.58 13.00 16.75 114.76 -7.74 91.11 167.36 88.03 11.54 0.43 68.93 8.61 9.80 0.07 0.39 0.00 11.27 0.93 80 G C C 51.68 3.43 14.32 19.03 112.92 15.56 86.83 -51.35 99.70 0.29 0.01 99.34 0.29 0.11 0.00 0.00 0.00 0.23 0.02