# 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 F C C 122.20 7.99 16.56 25.20 111.69 -7.22 -95.90 107.47 99.88 0.11 0.01 99.59 0.26 0.07 0.00 0.00 0.00 0.05 0.02 1 L C C 43.47 15.92 10.27 25.82 119.62 -155.62 -95.30 140.93 99.38 0.46 0.16 98.43 0.90 0.14 0.10 0.02 0.00 0.14 0.27 2 D C C 80.87 2.52 19.92 21.43 120.15 -123.45 -81.45 162.10 99.04 0.39 0.57 97.70 1.21 0.22 0.46 0.05 0.00 0.10 0.25 3 K H H 98.81 13.61 12.13 25.54 91.36 -107.38 -58.23 -38.59 3.62 0.01 96.37 0.64 0.52 2.18 95.84 0.82 0.00 0.00 0.00 4 S H H 73.42 2.70 17.67 20.81 92.20 52.88 -64.66 -39.74 2.57 0.01 97.42 0.38 0.26 1.72 96.57 1.06 0.00 0.00 0.00 5 E H H 87.64 4.49 19.39 24.30 92.01 48.91 -65.56 -40.42 1.34 0.01 98.65 0.39 0.15 0.69 97.76 1.00 0.00 0.00 0.00 6 V H H 8.75 20.74 15.93 36.96 91.53 50.01 -63.70 -43.67 0.67 0.00 99.32 0.20 0.07 0.29 99.26 0.17 0.00 0.00 0.00 7 T H H 25.14 17.45 19.61 36.63 91.19 50.50 -62.55 -42.56 0.41 0.00 99.59 0.10 0.03 0.19 99.63 0.05 0.00 0.00 0.00 8 D H H 82.83 3.65 25.18 28.67 91.69 50.13 -64.37 -40.93 0.16 0.00 99.84 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 9 R H H 75.10 11.54 23.87 35.22 91.75 49.70 -64.87 -42.13 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 10 V H H 1.77 26.50 20.97 47.61 91.40 48.85 -63.89 -43.99 0.15 0.00 99.85 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 11 L H H 23.42 17.84 22.51 39.89 90.97 50.07 -62.95 -42.05 0.19 0.00 99.81 0.01 0.01 0.11 99.84 0.02 0.00 0.00 0.00 12 S H H 52.21 3.98 26.56 30.42 91.47 51.18 -63.83 -41.60 0.50 0.00 99.50 0.05 0.02 0.33 99.52 0.08 0.00 0.00 0.00 13 V H H 13.03 17.00 21.85 39.18 91.82 49.57 -64.34 -43.57 0.91 0.00 99.09 0.05 0.05 0.71 98.88 0.30 0.00 0.00 0.00 14 V H H 2.57 25.80 17.38 43.59 91.46 49.04 -65.35 -39.84 1.49 0.01 98.50 0.07 0.11 1.27 97.67 0.86 0.01 0.00 0.00 15 K H H 93.58 10.52 19.96 30.66 91.05 57.04 -65.75 -29.12 19.19 0.04 80.77 0.39 0.52 19.27 77.90 1.84 0.03 0.02 0.03 16 N C T 98.39 4.42 21.19 25.97 92.66 57.11 -80.33 -10.14 64.89 0.06 35.05 0.95 1.38 62.41 33.50 1.69 0.01 0.02 0.05 17 F C S 37.82 19.25 11.54 30.05 112.02 90.06 -85.11 128.43 86.82 2.92 10.26 15.51 56.13 13.62 9.37 1.54 0.04 0.67 3.12 18 Q C T 119.52 5.33 17.37 23.41 99.90 -108.51 -70.25 1.05 96.62 0.24 3.14 2.21 14.68 80.30 0.96 1.54 0.00 0.11 0.20 19 K C T 145.62 3.60 18.57 22.85 95.92 41.58 -72.64 8.55 99.36 0.09 0.55 5.13 14.36 79.88 0.07 0.47 0.00 0.05 0.04 20 V C C 19.39 20.93 9.54 29.43 122.63 92.55 -111.03 138.41 96.68 3.20 0.12 56.30 39.23 0.25 0.06 0.04 0.00 0.61 3.50 21 D C C 81.67 3.12 22.80 25.07 108.22 -129.77 -86.20 116.47 99.88 0.10 0.02 99.65 0.25 0.03 0.00 0.01 0.00 0.03 0.04 22 P H G 51.80 17.74 10.80 27.91 91.47 -152.55 -61.81 -26.11 9.82 0.06 90.12 0.78 0.68 6.11 0.44 91.95 0.00 0.04 0.00 23 S H G 89.85 1.69 18.73 20.49 90.33 64.51 -70.26 -17.63 9.91 0.04 90.06 0.29 0.52 7.07 0.31 91.79 0.00 0.02 0.00 24 K H G 121.42 4.89 18.96 24.59 95.69 54.35 -94.16 -5.97 10.70 0.08 89.22 1.10 1.12 5.71 0.41 91.61 0.00 0.05 0.00 25 V C C 9.26 24.63 9.39 33.30 115.83 95.68 -90.17 129.45 94.79 4.64 0.57 69.46 24.16 0.39 0.23 0.27 0.00 0.68 4.81 26 T C C 58.38 5.06 25.05 30.01 131.14 -168.73 -127.74 156.20 98.38 1.58 0.05 94.30 3.75 0.08 0.02 0.02 0.00 0.36 1.48 27 P C T 50.09 17.66 14.27 31.53 90.55 -109.49 -61.83 -24.18 99.39 0.17 0.44 0.42 4.38 94.72 0.04 0.29 0.00 0.09 0.05 28 K C T 149.68 2.02 21.11 22.94 93.83 56.31 -90.56 -2.74 99.37 0.27 0.37 0.79 2.85 95.84 0.03 0.26 0.00 0.21 0.02 29 A C C 18.85 15.56 13.50 30.34 115.62 118.29 -69.57 140.65 97.48 2.07 0.45 67.44 29.24 0.66 0.15 0.25 0.00 0.87 1.39 30 N C C 56.05 8.22 23.34 32.10 114.51 -135.76 -92.58 127.07 67.20 32.19 0.61 59.42 2.51 0.31 0.43 0.11 0.00 3.24 33.98 31 F C T 8.72 25.15 13.83 39.51 93.08 -142.97 -63.55 -36.61 67.51 8.81 23.68 7.61 13.47 44.49 12.96 8.28 2.28 2.62 8.30 32 Q C T 77.77 12.56 17.73 29.96 93.61 53.45 -66.87 -40.85 67.08 6.64 26.28 2.45 9.28 52.58 14.72 8.05 3.45 1.52 7.96 33 N C T 120.31 1.47 19.99 20.35 97.84 34.02 -80.50 -36.90 67.93 0.98 31.10 1.00 6.35 60.80 16.89 11.54 1.57 0.40 1.45 34 D C T 69.94 9.26 17.24 26.99 101.87 32.14 -92.76 -34.98 77.02 0.52 22.47 0.92 6.44 70.53 13.18 7.75 0.24 0.20 0.74 35 L C T 22.24 20.01 14.10 33.68 99.66 25.87 -101.74 -9.80 78.88 2.65 18.46 2.94 15.74 59.89 11.89 4.94 0.55 0.77 3.28 36 G C C 44.08 4.42 22.58 27.41 95.17 -117.50 76.35 19.23 95.97 2.77 1.26 65.92 13.44 16.52 0.42 0.70 0.00 0.86 2.15 37 L C C 18.23 22.76 10.25 32.07 116.98 157.46 -79.44 141.92 95.21 2.39 2.41 76.13 13.96 4.70 1.22 1.01 0.00 0.69 2.29 38 D C C 79.25 4.26 22.01 25.87 120.90 -128.86 -84.37 162.05 96.78 0.73 2.49 84.79 8.37 3.54 1.80 0.57 0.00 0.22 0.70 39 S H H 64.22 9.79 15.76 26.16 92.88 -101.37 -60.07 -39.04 12.75 0.09 87.16 2.31 4.06 7.00 85.09 1.41 0.03 0.03 0.06 40 L H H 101.79 3.61 20.86 24.53 92.62 51.29 -65.75 -40.27 5.81 0.02 94.17 0.56 0.73 4.50 93.01 1.16 0.01 0.01 0.01 41 D H H 39.24 14.03 19.27 33.26 92.14 49.81 -66.46 -39.66 3.83 0.03 96.14 1.09 0.44 2.26 94.86 1.32 0.00 0.01 0.01 42 S H H 6.02 22.92 16.63 39.33 91.86 51.88 -63.39 -42.60 1.78 0.01 98.20 0.46 0.17 1.07 97.91 0.38 0.00 0.00 0.00 43 V H H 59.02 9.12 23.40 32.79 91.62 50.84 -64.42 -41.83 0.33 0.00 99.67 0.07 0.02 0.17 99.69 0.05 0.00 0.00 0.00 44 E H H 91.50 5.50 25.79 31.40 91.58 50.52 -64.22 -41.76 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 45 V H H 4.95 23.60 20.95 44.29 91.53 49.58 -64.06 -43.66 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 46 V H H 10.34 22.13 21.44 42.88 91.12 50.35 -62.68 -43.07 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 47 M H H 86.87 4.45 25.95 30.36 91.50 50.24 -63.64 -42.02 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 48 A H H 20.59 9.75 22.01 33.32 91.26 50.32 -63.86 -42.16 0.14 0.00 99.86 0.00 0.00 0.11 99.87 0.01 0.00 0.00 0.00 49 L H H 3.84 24.13 15.96 40.56 91.82 49.77 -64.60 -42.55 0.14 0.00 99.86 0.01 0.01 0.11 99.86 0.02 0.00 0.00 0.00 50 E H H 67.62 12.60 17.40 30.14 91.91 51.33 -63.28 -42.08 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 51 E H H 140.71 1.22 20.29 19.90 93.00 46.98 -67.37 -40.00 0.23 0.00 99.77 0.01 0.01 0.19 99.71 0.09 0.00 0.00 0.00 52 E H H 90.60 8.74 16.97 26.31 96.95 41.29 -76.93 -38.12 1.43 0.00 98.57 0.02 0.05 1.32 98.47 0.13 0.00 0.00 0.00 53 F H H 47.79 15.40 13.31 28.92 100.63 25.87 -105.13 -8.71 8.81 0.03 91.16 0.44 1.14 6.81 91.35 0.22 0.01 0.01 0.02 54 G C C 56.21 1.93 20.04 21.51 95.15 -122.50 69.15 24.72 99.59 0.15 0.25 46.61 20.04 32.97 0.08 0.15 0.00 0.08 0.06 55 F C C 49.25 15.85 11.52 27.49 123.95 135.58 -112.19 143.22 97.43 2.38 0.19 84.73 12.20 0.65 0.06 0.11 0.00 1.25 0.99 56 E C C 132.88 2.88 22.08 25.43 114.73 -140.96 -100.63 122.78 97.52 2.40 0.08 96.44 1.38 0.17 0.03 0.03 0.00 1.10 0.85 57 I C C 14.29 23.50 10.22 33.09 118.99 -164.17 -109.20 128.26 99.24 0.71 0.05 97.30 2.09 0.06 0.03 0.01 0.00 0.29 0.23 58 P C C 59.65 4.18 20.55 25.03 114.61 -114.43 -66.96 146.73 99.24 0.25 0.50 98.53 0.63 0.34 0.21 0.10 0.00 0.09 0.11 59 D H H 88.70 9.67 12.97 23.59 92.10 -114.12 -59.42 -35.05 40.51 0.22 59.27 5.71 7.70 25.79 33.58 26.86 0.04 0.09 0.23 60 N H H 121.04 1.39 18.05 18.68 92.32 58.30 -69.10 -23.77 35.38 0.15 64.47 2.98 4.24 26.14 36.31 30.10 0.06 0.07 0.12 61 E H H 62.44 10.48 16.10 27.56 94.85 54.84 -80.46 -21.43 25.92 0.22 73.86 5.39 3.17 15.52 41.79 33.87 0.02 0.11 0.13 62 A H G 5.67 24.32 10.84 34.62 91.49 74.96 -62.85 -34.55 15.88 0.16 83.97 3.02 1.89 9.63 39.36 45.94 0.01 0.09 0.06 63 D H G 94.29 5.64 19.83 26.65 90.99 61.37 -69.72 -18.77 31.61 0.10 68.29 1.78 2.42 25.95 21.27 48.43 0.02 0.05 0.09 64 K H G 130.31 3.46 21.38 24.95 93.44 58.26 -84.78 -11.48 41.35 0.17 58.47 3.64 4.45 32.40 13.62 45.62 0.02 0.08 0.16 65 I C C 15.44 22.43 11.01 33.11 111.59 90.11 -92.16 117.38 96.01 1.01 2.98 87.99 6.34 1.58 1.87 0.87 0.00 0.28 1.08 66 Q C C 107.81 5.80 22.96 29.70 100.89 171.21 -103.54 -10.54 98.94 0.80 0.25 75.55 22.84 0.57 0.13 0.10 0.00 0.26 0.55 67 S C S 30.07 8.84 24.60 34.35 138.43 32.20 -141.70 161.51 63.90 35.10 1.00 9.40 48.50 0.15 0.73 0.03 0.00 1.20 39.98 68 I H H 9.70 24.44 16.00 40.86 91.22 -109.43 -59.96 -37.53 1.07 0.00 98.93 0.07 0.14 0.81 98.68 0.29 0.00 0.00 0.00 69 D H H 79.20 7.50 23.78 32.00 91.28 55.62 -62.33 -41.36 0.47 0.00 99.53 0.03 0.02 0.36 99.27 0.32 0.00 0.00 0.00 70 L H H 62.40 6.46 24.21 31.18 91.62 49.40 -65.54 -40.76 0.11 0.00 99.89 0.01 0.00 0.07 99.59 0.32 0.00 0.00 0.00 71 A H H 1.84 25.25 17.95 43.64 91.71 51.18 -63.57 -43.90 0.05 0.00 99.94 0.00 0.00 0.03 99.91 0.05 0.00 0.00 0.00 72 V H H 15.38 19.85 20.90 40.26 91.23 50.28 -63.00 -43.10 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 73 D H H 85.92 2.78 25.85 27.85 91.54 50.55 -63.66 -41.58 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 74 F H H 45.70 11.68 20.82 33.37 91.80 49.55 -64.40 -42.42 0.10 0.00 99.90 0.00 0.00 0.08 99.84 0.08 0.00 0.00 0.00 75 I H H 5.58 24.61 15.81 40.42 91.63 48.95 -65.00 -41.12 0.42 0.00 99.58 0.01 0.01 0.34 99.40 0.23 0.00 0.00 0.00 76 A H H 47.34 11.45 17.65 29.58 90.90 54.76 -66.85 -25.94 7.93 0.00 92.07 0.12 0.18 7.77 91.59 0.34 0.00 0.00 0.00 77 S C H 84.28 1.69 19.72 20.44 94.54 52.32 -86.36 -7.28 50.36 0.03 49.61 1.12 2.23 44.58 51.28 0.75 0.01 0.01 0.03 78 H C C 49.19 15.57 9.15 24.51 111.75 93.86 -90.36 120.68 98.15 0.25 1.60 55.52 41.36 1.22 1.11 0.43 0.00 0.05 0.31 79 P C G 97.51 2.85 15.09 18.95 94.71 -142.33 -63.31 -27.20 53.51 0.21 46.28 7.75 5.00 37.93 4.17 44.92 0.00 0.11 0.12 80 Q C G 112.63 5.48 13.47 20.28 96.47 58.38 -78.88 -6.79 52.26 0.41 47.33 7.66 4.98 38.01 4.91 43.99 0.00 0.22 0.22 81 A C C 32.00 16.25 8.67 23.88 103.33 105.89 -73.95 49.89 59.36 0.94 39.70 44.72 4.99 8.54 4.23 36.66 0.00 0.48 0.39 82 K C C 148.59 2.91 17.21 21.16 103.75 93.76 -82.41 41.78 99.66 0.09 0.26 99.33 0.28 0.19 0.06 0.07 0.00 0.03 0.03