# 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 106.14 7.74 12.35 21.14 114.87 -141.88 -90.15 130.63 99.97 0.02 0.01 99.93 0.04 0.02 0.00 0.00 0.00 0.01 0.00 1 A C C 69.19 5.31 11.26 18.22 113.33 -119.53 -76.28 143.17 94.99 1.32 3.69 93.64 0.50 2.02 2.08 0.62 0.00 0.72 0.43 2 R C C 161.59 3.49 11.51 16.77 112.81 -132.10 -89.17 131.41 87.96 6.01 6.03 75.96 7.96 3.92 4.29 1.83 0.00 3.47 2.57 3 V C C 73.02 9.94 9.44 20.18 117.08 -150.52 -100.17 130.51 86.02 5.89 8.09 75.21 7.77 2.89 6.74 1.80 0.00 3.80 1.79 4 K C C 133.01 3.73 14.11 19.36 113.82 -145.38 -92.82 132.73 84.01 4.14 11.84 71.57 7.86 3.80 11.14 1.81 0.00 2.67 1.14 5 R C C 132.16 7.82 12.38 21.20 107.75 -142.13 -83.95 121.61 72.14 1.88 25.99 53.11 10.43 6.39 26.62 1.89 0.00 0.94 0.62 6 G H H 32.09 7.72 13.33 22.13 111.72 7.39 -43.08 -155.85 47.21 0.62 52.17 30.74 9.02 6.51 51.58 1.66 0.00 0.25 0.24 7 V H H 94.21 2.85 15.29 18.56 94.03 -50.52 -65.14 -38.50 12.25 0.22 87.53 6.27 2.49 4.16 85.22 1.65 0.01 0.11 0.08 8 I H H 82.73 4.24 16.71 21.73 92.79 51.05 -65.74 -40.72 7.08 0.18 92.75 3.57 1.23 2.75 90.77 1.52 0.01 0.10 0.05 9 A H H 20.90 12.20 13.15 26.82 92.05 51.52 -64.33 -41.11 4.75 0.09 95.16 2.40 0.73 1.87 93.71 1.22 0.00 0.05 0.02 10 R H H 113.73 6.49 17.15 24.70 92.08 51.44 -64.06 -40.94 3.56 0.04 96.40 1.50 0.46 1.55 95.74 0.71 0.00 0.02 0.01 11 R H H 131.06 2.18 19.87 21.16 91.93 50.07 -64.96 -41.44 1.95 0.01 98.04 0.71 0.22 0.88 97.81 0.37 0.00 0.00 0.00 12 R H H 97.06 7.45 18.48 26.72 92.15 49.60 -65.19 -41.06 1.49 0.01 98.50 0.47 0.15 0.73 98.34 0.30 0.00 0.00 0.00 13 H H H 45.51 15.41 15.37 30.84 92.10 50.96 -64.24 -40.98 1.16 0.00 98.83 0.32 0.11 0.59 98.74 0.24 0.00 0.00 0.00 14 K H H 109.25 4.13 20.32 24.81 91.74 51.02 -64.20 -40.59 1.02 0.00 98.97 0.27 0.10 0.52 98.93 0.18 0.00 0.00 0.00 15 K H H 108.21 2.79 21.18 23.20 91.79 49.92 -64.92 -41.31 1.30 0.00 98.69 0.30 0.12 0.74 98.63 0.22 0.00 0.00 0.00 16 I H H 29.43 14.14 16.50 31.50 92.19 49.38 -64.70 -42.58 1.05 0.00 98.95 0.21 0.11 0.64 98.70 0.34 0.00 0.00 0.00 17 L H H 47.06 13.29 16.20 29.98 91.88 50.70 -63.87 -40.38 1.16 0.00 98.83 0.19 0.10 0.77 97.91 1.03 0.00 0.00 0.00 18 K H H 134.52 1.79 21.28 21.96 91.97 51.00 -64.72 -39.04 4.00 0.01 95.99 0.29 0.23 3.30 93.78 2.39 0.01 0.00 0.00 19 L H H 86.52 5.57 17.99 24.25 92.37 50.24 -69.34 -30.19 10.77 0.01 89.21 0.46 0.61 9.48 86.75 2.67 0.02 0.00 0.01 20 A H H 16.27 18.26 10.72 28.68 95.07 54.04 -82.10 -10.30 40.41 0.16 59.42 5.74 4.62 29.87 54.31 5.23 0.04 0.06 0.14 21 K C T 138.25 4.47 15.21 21.90 105.51 111.92 -65.14 114.85 79.56 0.31 20.12 6.44 4.56 68.52 11.32 8.72 0.00 0.14 0.29 22 G C T 61.02 1.28 16.46 17.14 97.55 25.79 78.92 -1.19 85.97 0.28 13.75 7.81 7.37 70.86 4.03 9.58 0.00 0.15 0.20 23 Y C C 98.41 11.68 9.69 21.75 113.30 106.66 -88.38 125.94 89.86 1.56 8.58 71.30 10.19 8.17 2.41 6.21 0.00 0.77 0.95 24 Y C C 160.16 3.39 13.39 18.42 114.22 -171.96 -103.42 127.04 88.84 4.63 6.54 63.31 12.08 13.26 2.94 3.33 0.00 2.14 2.93 25 G C C 41.15 5.14 13.70 20.24 125.78 50.57 118.30 -170.41 88.52 2.79 8.69 33.29 33.25 22.85 3.20 4.76 0.01 1.38 1.28 26 A C C 66.27 4.88 12.98 19.21 111.23 -64.68 -78.73 134.87 84.97 1.54 13.49 60.62 13.89 10.35 8.19 5.33 0.00 0.69 0.93 27 R H H 142.60 5.44 12.18 19.18 98.69 -131.76 -68.38 -33.61 37.15 0.79 62.07 21.35 8.07 9.37 50.94 9.53 0.02 0.36 0.38 28 S H H 77.90 2.50 14.01 17.16 94.81 59.55 -67.27 -31.33 24.15 0.30 75.55 7.46 4.43 12.32 64.44 11.01 0.04 0.16 0.14 29 R H H 138.12 2.92 15.16 18.55 95.69 51.21 -73.93 -28.11 19.27 0.39 80.34 7.90 3.12 8.63 69.69 10.26 0.03 0.22 0.15 30 V H H 49.95 9.83 13.21 24.33 93.52 57.63 -65.79 -41.06 8.89 0.17 90.94 5.10 1.49 2.86 88.22 2.18 0.00 0.08 0.06 31 F H H 89.54 8.59 15.76 25.20 92.59 51.32 -65.15 -41.20 2.86 0.04 97.10 1.25 0.38 1.11 96.61 0.62 0.00 0.02 0.01 32 R H H 138.67 2.32 19.76 21.49 92.60 50.07 -65.35 -41.36 1.63 0.02 98.35 0.58 0.18 0.75 98.09 0.39 0.00 0.01 0.00 33 V H H 62.49 5.68 19.11 25.63 92.48 49.22 -65.28 -41.98 0.87 0.01 99.13 0.25 0.09 0.41 99.04 0.20 0.00 0.00 0.00 34 A H H 20.86 13.70 15.44 30.25 92.03 51.09 -63.77 -42.02 0.52 0.00 99.47 0.13 0.04 0.25 99.47 0.11 0.00 0.00 0.00 35 K H H 100.55 6.21 20.35 27.03 91.87 50.40 -64.17 -41.33 0.37 0.00 99.63 0.07 0.02 0.19 99.66 0.06 0.00 0.00 0.00 36 Q H H 97.11 2.98 21.91 24.24 91.99 49.81 -64.81 -41.18 0.21 0.00 99.79 0.03 0.01 0.11 99.80 0.04 0.00 0.00 0.00 37 A H H 30.56 9.61 18.03 28.98 92.15 50.39 -64.72 -41.00 0.20 0.00 99.80 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 38 V H H 49.08 11.24 18.05 29.82 92.36 49.45 -64.78 -41.94 0.31 0.00 99.69 0.04 0.02 0.18 99.71 0.05 0.00 0.00 0.00 39 I H H 89.08 3.89 20.90 24.64 91.98 48.96 -64.41 -42.02 0.69 0.00 99.31 0.08 0.04 0.44 99.36 0.08 0.00 0.00 0.00 40 K H H 110.50 3.32 20.98 24.15 92.16 48.76 -65.09 -41.26 1.08 0.00 98.92 0.14 0.07 0.67 98.99 0.13 0.00 0.00 0.00 41 A H H 32.36 9.86 17.00 27.98 91.98 50.62 -64.19 -41.04 1.07 0.00 98.93 0.14 0.07 0.66 98.92 0.21 0.00 0.00 0.00 42 G H H 28.70 7.31 18.14 26.26 92.44 50.93 -63.92 -41.03 1.58 0.00 98.41 0.20 0.10 1.06 98.33 0.32 0.00 0.00 0.00 43 Q H H 97.65 2.95 19.99 22.53 92.31 50.40 -65.22 -41.33 1.52 0.00 98.48 0.22 0.11 0.96 98.33 0.37 0.00 0.00 0.00 44 Y H H 106.92 4.59 19.09 24.14 92.19 49.40 -65.32 -41.09 1.56 0.00 98.44 0.28 0.14 0.94 98.15 0.48 0.00 0.00 0.00 45 A H H 34.87 8.62 15.86 25.69 92.12 51.37 -64.04 -41.20 2.19 0.01 97.81 0.40 0.18 1.34 97.53 0.54 0.00 0.00 0.00 46 Y H H 117.89 3.97 18.33 22.55 92.12 49.62 -65.21 -41.32 3.18 0.01 96.81 0.58 0.30 2.05 96.29 0.76 0.00 0.00 0.00 47 R H H 128.00 2.33 18.79 20.53 92.31 49.75 -65.37 -41.23 4.74 0.01 95.25 0.82 0.47 3.10 94.96 0.64 0.00 0.00 0.00 48 D H H 59.85 5.44 16.40 22.92 92.66 49.65 -66.43 -39.68 8.35 0.01 91.64 1.96 0.75 4.90 91.80 0.57 0.00 0.00 0.01 49 R H H 104.98 6.95 16.10 23.70 92.16 51.12 -64.42 -40.98 2.02 0.00 97.98 0.46 0.22 1.06 97.95 0.31 0.00 0.00 0.00 50 R H H 131.56 2.60 17.69 20.26 92.22 49.87 -65.23 -41.15 1.35 0.00 98.65 0.25 0.12 0.78 98.57 0.28 0.00 0.00 0.00 51 Q H H 93.96 2.62 17.77 20.25 92.20 49.35 -65.12 -40.97 1.29 0.00 98.71 0.27 0.11 0.72 98.63 0.26 0.00 0.00 0.00 52 R H H 107.85 5.70 16.51 22.94 92.10 49.85 -64.80 -41.16 0.83 0.00 99.16 0.18 0.07 0.42 99.20 0.13 0.00 0.00 0.00 53 K H H 95.83 6.49 16.66 24.14 91.94 50.50 -64.43 -40.90 0.53 0.00 99.47 0.09 0.03 0.29 99.50 0.09 0.00 0.00 0.00 54 R H H 132.32 2.75 18.31 21.08 92.23 50.12 -65.02 -40.88 0.32 0.00 99.68 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 55 Q H H 98.71 3.07 19.14 22.02 92.09 49.46 -65.15 -41.06 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 56 F H H 76.48 8.91 17.48 27.28 92.12 49.10 -64.66 -41.99 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 57 R H H 95.00 10.63 18.17 29.11 91.83 51.17 -63.64 -40.93 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 58 A H H 54.56 3.88 20.58 24.48 91.68 50.67 -64.31 -41.27 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 59 L H H 77.50 4.81 21.70 26.56 91.99 49.45 -64.77 -41.48 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 60 W H H 42.81 16.21 18.57 34.86 91.80 49.82 -64.12 -42.48 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 61 I H H 49.34 13.49 20.26 33.78 91.60 50.12 -63.56 -41.95 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 62 A H H 57.01 3.40 24.25 27.00 91.63 50.52 -64.16 -41.55 0.11 0.00 99.89 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 63 R H H 92.07 9.65 23.53 33.09 91.92 49.24 -65.25 -41.32 0.31 0.00 99.69 0.02 0.01 0.24 99.69 0.04 0.00 0.00 0.00 64 I H H 9.42 22.87 18.84 41.60 91.75 49.15 -64.55 -43.14 0.46 0.00 99.54 0.03 0.02 0.32 99.58 0.05 0.00 0.00 0.00 65 N H H 64.06 9.82 23.64 33.55 91.49 50.46 -63.27 -41.62 0.74 0.00 99.26 0.09 0.04 0.42 99.37 0.08 0.00 0.00 0.00 66 A H H 45.49 3.49 24.79 27.94 91.33 50.32 -63.45 -42.32 0.51 0.00 99.48 0.05 0.02 0.32 99.49 0.11 0.00 0.00 0.00 67 G H H 8.49 13.16 19.10 33.81 91.74 50.66 -64.15 -42.05 0.58 0.00 99.42 0.05 0.03 0.39 99.37 0.16 0.00 0.00 0.00 68 A H H 9.48 17.63 14.61 33.05 91.61 51.32 -63.73 -41.50 0.85 0.00 99.15 0.11 0.06 0.54 98.98 0.31 0.00 0.00 0.00 69 R H H 162.18 2.13 19.34 21.71 91.88 50.14 -63.86 -40.79 1.44 0.00 98.56 0.15 0.08 1.06 97.91 0.79 0.00 0.00 0.00 70 Q H H 126.49 2.52 17.33 20.39 91.80 52.08 -66.72 -30.70 6.99 0.01 93.00 0.20 0.27 6.58 92.16 0.78 0.01 0.00 0.00 71 N C T 69.01 9.98 13.29 24.34 95.46 43.65 -95.38 2.63 64.18 0.02 35.80 0.38 1.23 62.46 34.98 0.93 0.00 0.00 0.01 72 G C T 61.50 1.06 19.40 18.87 94.79 -111.09 77.28 16.50 99.90 0.00 0.10 1.42 1.57 96.95 0.04 0.01 0.00 0.00 0.00 73 L C C 33.51 16.86 9.89 26.61 122.01 134.41 -103.56 142.15 99.67 0.28 0.05 95.47 4.08 0.09 0.03 0.01 0.00 0.07 0.25 74 S C C 57.68 2.97 23.30 24.99 119.84 -126.38 -82.03 155.72 99.77 0.15 0.08 99.51 0.28 0.04 0.04 0.00 0.00 0.03 0.09 75 Y H H 68.06 18.94 13.07 31.14 92.07 -116.69 -58.88 -38.65 2.09 0.00 97.90 0.46 0.30 1.06 97.78 0.40 0.00 0.00 0.00 76 S H H 75.26 2.74 20.71 23.74 91.21 56.27 -63.21 -39.49 0.72 0.00 99.28 0.08 0.05 0.47 98.92 0.48 0.00 0.00 0.00 77 R H H 118.98 5.28 21.71 27.37 91.88 49.68 -65.87 -40.21 0.21 0.00 99.79 0.02 0.01 0.12 99.48 0.36 0.00 0.00 0.00 78 L H H 5.93 23.83 15.96 39.82 91.62 49.61 -64.32 -43.57 0.22 0.00 99.78 0.02 0.01 0.13 99.68 0.16 0.00 0.00 0.00 79 I H H 39.14 15.11 20.66 35.55 91.94 49.22 -63.91 -42.63 0.30 0.00 99.70 0.03 0.01 0.19 99.72 0.05 0.00 0.00 0.00 80 A H H 51.85 2.83 24.35 26.16 91.31 50.82 -63.04 -42.14 0.28 0.00 99.72 0.02 0.01 0.18 99.72 0.06 0.00 0.00 0.00 81 G H H 9.44 12.84 19.17 33.49 91.89 51.06 -63.90 -42.14 0.57 0.00 99.43 0.04 0.02 0.40 99.38 0.15 0.00 0.00 0.00 82 L H H 8.58 22.29 14.77 37.09 92.01 50.43 -64.30 -41.94 0.83 0.00 99.17 0.08 0.05 0.57 98.89 0.41 0.00 0.00 0.00 83 K H H 126.36 4.44 19.49 25.16 91.51 50.91 -63.43 -40.29 1.86 0.00 98.14 0.15 0.10 1.42 97.60 0.72 0.00 0.00 0.00 84 K H H 140.97 2.18 18.88 21.13 90.98 52.24 -65.30 -31.62 8.98 0.01 91.01 0.27 0.35 8.37 90.22 0.77 0.01 0.00 0.00 85 A C T 28.13 14.33 13.02 28.00 94.27 50.44 -87.43 -0.91 82.95 0.04 17.02 0.77 2.18 79.08 17.06 0.85 0.00 0.01 0.04 86 A C T 92.69 1.57 20.31 21.31 93.98 -119.32 61.10 37.33 99.01 0.02 0.97 3.19 1.79 94.23 0.59 0.18 0.00 0.01 0.01 87 I C C 25.70 19.93 10.33 29.65 115.27 149.47 -99.71 124.96 97.41 1.88 0.72 94.04 2.65 0.96 0.28 0.31 0.00 1.22 0.54 88 E C C 140.56 2.07 22.96 24.56 109.82 -143.05 -91.41 116.30 95.15 4.40 0.46 91.60 3.09 0.87 0.18 0.21 0.00 3.12 0.94 89 I C C 20.96 22.71 10.06 31.70 125.61 163.02 -120.92 142.75 94.29 5.53 0.18 86.57 8.38 0.18 0.12 0.06 0.00 2.70 1.99 90 D C C 78.68 3.66 23.04 25.87 118.55 -117.23 -77.74 154.87 99.22 0.62 0.16 98.91 0.48 0.07 0.10 0.02 0.00 0.26 0.15 91 R H H 104.56 15.20 14.51 29.16 91.95 -115.29 -60.05 -37.44 1.41 0.00 98.58 0.20 0.18 0.78 98.65 0.19 0.00 0.00 0.00 92 K H H 123.99 4.50 20.89 26.17 91.81 54.91 -63.72 -40.77 0.68 0.00 99.32 0.06 0.05 0.47 99.20 0.22 0.00 0.00 0.00 93 V H H 40.64 10.82 20.96 32.50 92.14 48.95 -65.33 -42.11 0.41 0.00 99.59 0.04 0.02 0.27 99.44 0.23 0.00 0.00 0.00 94 L H H 7.22 23.14 18.55 41.51 91.51 49.77 -63.47 -43.16 0.14 0.00 99.86 0.01 0.01 0.08 99.85 0.05 0.00 0.00 0.00 95 A H H 15.39 16.09 20.80 37.27 91.34 51.30 -63.01 -42.28 0.23 0.00 99.77 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 96 D H H 67.82 5.55 26.09 32.00 91.64 50.17 -64.52 -41.34 0.45 0.00 99.55 0.03 0.02 0.31 99.58 0.06 0.00 0.00 0.00 97 L H H 17.55 15.96 21.17 37.67 91.63 50.43 -64.48 -41.49 0.51 0.00 99.49 0.03 0.03 0.36 99.44 0.15 0.00 0.00 0.00 98 A H H 7.36 21.46 17.33 38.81 91.82 52.19 -65.47 -36.52 1.44 0.00 98.56 0.12 0.08 1.10 98.22 0.48 0.00 0.00 0.00 99 V H H 67.03 10.83 20.49 31.17 94.53 49.44 -72.82 -34.25 7.46 0.00 92.54 0.11 0.22 7.36 91.61 0.69 0.00 0.00 0.00 100 N H H 96.74 4.28 20.24 24.93 100.43 32.43 -96.22 -22.19 17.23 0.02 82.75 0.33 1.38 15.18 82.62 0.45 0.02 0.00 0.01 101 E C C 79.25 9.48 16.72 26.92 113.31 21.85 -136.62 86.79 98.45 0.15 1.40 90.04 6.59 1.65 1.40 0.15 0.00 0.04 0.13 102 K H H 93.88 13.84 14.70 28.51 93.79 173.24 -61.55 -37.75 2.03 0.00 97.97 0.26 0.16 1.37 96.65 1.55 0.00 0.00 0.00 103 A H H 68.75 3.15 23.15 26.09 91.59 54.65 -63.92 -39.64 0.89 0.00 99.11 0.05 0.04 0.72 97.73 1.46 0.00 0.00 0.00 104 A H H 20.16 12.33 20.03 33.43 91.72 50.79 -64.86 -41.32 0.30 0.00 99.70 0.03 0.02 0.21 98.49 1.26 0.00 0.00 0.00 105 F H H 6.65 24.60 17.38 41.98 91.52 50.36 -63.75 -42.80 0.24 0.00 99.76 0.03 0.01 0.16 99.48 0.33 0.00 0.00 0.00 106 T H H 49.72 10.05 23.96 34.13 91.53 51.04 -63.54 -41.63 0.22 0.00 99.77 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 107 A H H 41.78 4.76 25.17 30.21 91.35 51.35 -63.28 -42.63 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 108 I H H 11.47 19.77 21.30 40.95 91.49 49.17 -64.17 -43.40 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 109 V H H 12.89 21.22 19.65 40.58 91.56 49.93 -63.39 -42.97 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 110 E H H 107.57 3.66 25.04 28.57 91.47 50.36 -63.54 -41.83 0.11 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 111 K H H 100.56 5.12 23.75 28.88 91.84 49.00 -65.25 -40.94 0.22 0.00 99.78 0.02 0.01 0.15 99.79 0.04 0.00 0.00 0.00 112 A H H 7.00 20.12 15.15 35.73 91.75 50.24 -64.54 -41.66 0.55 0.00 99.45 0.05 0.03 0.36 99.43 0.13 0.00 0.00 0.00 113 K H H 94.12 10.60 18.43 29.18 91.63 52.05 -63.21 -40.76 1.57 0.00 98.43 0.18 0.10 1.11 98.05 0.56 0.00 0.00 0.00 114 A H H 73.24 1.73 19.15 19.74 92.27 51.45 -65.43 -37.32 5.36 0.00 94.64 0.37 0.29 4.36 93.42 1.55 0.00 0.00 0.00 115 S H H 60.57 6.51 15.04 22.78 92.85 51.83 -72.60 -25.93 17.83 0.02 82.15 1.15 0.96 15.01 81.26 1.60 0.01 0.01 0.01 116 L H H 60.93 13.48 10.21 23.45 98.01 53.44 -83.41 -11.02 43.77 0.21 56.02 16.70 1.73 24.04 55.81 1.49 0.00 0.06 0.17 117 A C C 79.19 3.53 15.07 19.88 103.59 111.24 -69.52 71.90 99.94 0.01 0.05 99.81 0.06 0.09 0.03 0.00 0.00 0.00 0.00