# 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 S C C 56.95 8.97 13.28 23.15 118.82 -158.91 -100.15 147.70 99.88 0.06 0.06 99.69 0.14 0.10 0.02 0.01 0.00 0.03 0.01 1 D C C 92.70 5.04 12.16 18.66 107.03 -147.73 -86.34 75.15 84.66 0.56 14.79 76.22 2.49 7.27 8.85 4.53 0.00 0.25 0.39 2 A C C 69.08 4.69 12.01 18.16 97.67 94.24 -72.95 -20.29 63.99 0.70 35.30 30.33 12.97 21.08 16.24 18.53 0.00 0.30 0.55 3 H C C 93.45 9.49 10.51 20.73 99.46 64.65 -79.18 -10.47 56.61 0.72 42.67 24.64 11.47 20.74 18.11 24.21 0.01 0.32 0.50 4 D C C 90.94 5.71 12.54 19.69 101.92 72.51 -80.21 -2.17 56.92 0.79 42.28 28.51 11.91 16.61 19.39 22.69 0.01 0.35 0.55 5 E C C 130.76 3.22 13.84 18.02 101.12 69.45 -86.25 -1.28 64.40 1.02 34.58 36.14 14.17 14.27 19.03 15.25 0.01 0.45 0.69 6 E C C 73.05 10.13 11.10 22.33 115.66 99.09 -90.65 141.07 89.32 0.97 9.72 55.98 30.60 2.73 7.93 1.72 0.00 0.29 0.76 7 T C C 65.78 3.83 18.47 22.36 119.26 -123.90 -82.49 161.08 90.95 1.55 7.50 84.22 4.81 1.35 7.32 0.66 0.00 0.42 1.21 8 F H H 73.31 15.62 12.26 27.49 92.88 -108.61 -60.21 -39.25 2.30 0.01 97.69 0.66 0.42 1.06 97.50 0.35 0.00 0.00 0.00 9 E H H 125.48 2.68 17.91 21.12 92.10 52.45 -64.19 -40.18 1.04 0.00 98.95 0.17 0.10 0.66 98.72 0.36 0.00 0.00 0.00 10 E H H 103.44 2.70 19.63 21.86 92.36 48.90 -65.88 -40.37 0.49 0.00 99.51 0.10 0.04 0.28 99.25 0.32 0.00 0.00 0.00 11 F H H 23.04 16.65 15.21 32.50 91.72 50.01 -64.18 -42.92 0.27 0.00 99.73 0.07 0.02 0.13 99.68 0.10 0.00 0.00 0.00 12 T H H 28.71 14.79 17.24 32.50 91.60 50.71 -63.29 -41.79 0.29 0.00 99.71 0.05 0.01 0.16 99.73 0.05 0.00 0.00 0.00 13 A H H 55.52 2.45 22.44 23.67 91.44 50.58 -63.61 -41.41 0.23 0.00 99.77 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 14 R H H 100.58 5.53 21.88 27.72 91.72 49.67 -64.72 -42.13 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 15 Y H H 14.29 21.41 15.95 37.36 92.14 49.22 -64.43 -42.55 0.29 0.00 99.71 0.03 0.01 0.17 99.72 0.06 0.00 0.00 0.00 16 E H H 69.36 11.76 19.50 31.41 91.64 51.74 -62.84 -41.71 0.25 0.00 99.74 0.03 0.01 0.17 99.72 0.08 0.00 0.00 0.00 17 K H H 125.41 1.48 23.61 22.64 91.71 50.06 -64.29 -41.62 0.60 0.00 99.40 0.05 0.03 0.46 99.02 0.45 0.00 0.00 0.00 18 E H H 54.31 10.26 18.88 30.16 92.20 49.03 -65.30 -40.63 1.92 0.00 98.08 0.11 0.08 1.59 97.08 1.13 0.00 0.00 0.00 19 F H H 12.00 23.02 12.71 35.41 91.97 50.69 -67.43 -34.27 5.84 0.01 94.16 0.53 0.39 4.61 91.01 3.45 0.00 0.00 0.00 20 D H H 91.36 5.66 19.05 25.80 91.31 60.01 -68.35 -23.93 34.13 0.03 65.84 1.39 1.66 30.73 62.21 3.95 0.02 0.01 0.03 21 E C T 135.67 1.83 20.44 21.27 95.00 50.60 -90.80 -8.03 62.24 0.07 37.69 4.08 4.72 52.39 34.37 4.33 0.00 0.03 0.07 22 A C C 20.82 18.74 9.03 26.89 113.01 104.40 -78.38 129.99 96.87 0.26 2.87 90.42 3.99 2.72 2.00 0.55 0.00 0.09 0.23 23 Y C C 159.53 3.49 18.27 22.89 101.24 -176.99 -103.82 -12.80 98.89 0.28 0.83 82.10 15.05 1.76 0.49 0.24 0.00 0.09 0.26 24 D C C 74.23 4.25 19.19 23.84 124.21 61.68 -112.90 140.54 97.41 1.51 1.09 62.66 33.47 0.92 0.84 0.22 0.00 0.26 1.62 25 L H H 65.33 15.18 13.05 28.11 92.60 -131.19 -60.63 -36.80 2.92 0.00 97.07 0.55 0.60 1.49 96.92 0.42 0.00 0.00 0.00 26 F H H 127.73 2.66 19.97 22.46 91.76 55.30 -63.62 -40.74 0.95 0.00 99.05 0.08 0.07 0.70 98.68 0.47 0.00 0.00 0.00 27 E H H 70.47 7.30 19.76 28.05 91.85 49.15 -65.52 -40.50 0.27 0.00 99.72 0.04 0.02 0.17 99.32 0.46 0.00 0.00 0.00 28 V H H 4.66 23.71 14.70 38.81 91.33 50.67 -63.12 -43.34 0.10 0.00 99.90 0.01 0.00 0.06 99.79 0.13 0.00 0.00 0.00 29 Q H H 63.36 12.60 21.34 33.70 91.52 51.52 -62.97 -41.28 0.13 0.00 99.87 0.01 0.01 0.08 99.83 0.07 0.00 0.00 0.00 30 R H H 127.77 2.66 25.49 27.19 91.64 50.44 -64.01 -42.06 0.21 0.00 99.79 0.01 0.01 0.17 99.71 0.11 0.00 0.00 0.00 31 V H H 17.76 16.95 20.89 37.91 91.63 49.10 -64.33 -42.68 0.48 0.00 99.52 0.03 0.02 0.38 99.36 0.21 0.00 0.00 0.00 32 L H H 8.35 23.96 18.84 42.51 91.25 50.05 -63.58 -42.17 1.52 0.00 98.47 0.11 0.08 1.17 98.11 0.52 0.00 0.00 0.00 33 N H H 73.52 6.82 23.59 30.64 91.55 51.24 -64.50 -40.29 7.89 0.02 92.10 0.54 0.50 6.68 90.55 1.70 0.02 0.01 0.01 34 N H H 69.59 5.65 23.25 29.08 92.14 49.57 -66.45 -38.70 16.73 0.13 83.14 1.50 1.73 13.71 78.18 4.59 0.15 0.05 0.10 35 C H H 7.19 21.69 15.33 37.05 92.49 52.18 -65.85 -39.32 19.78 0.31 79.90 2.98 2.83 13.88 69.70 9.98 0.27 0.15 0.21 36 F H H 72.60 14.80 17.38 31.60 93.19 50.07 -69.32 -34.15 27.41 0.79 71.80 4.71 4.35 18.12 57.79 13.63 0.50 0.39 0.51 37 S H H 77.53 2.63 19.44 22.05 93.35 52.50 -73.27 -27.71 40.68 0.80 58.52 5.38 6.37 28.07 46.31 12.57 0.36 0.39 0.55 38 Y C T 120.34 6.81 17.02 24.63 103.70 37.58 -102.13 0.12 69.24 1.03 29.73 7.81 16.90 44.44 20.31 9.06 0.12 0.42 0.94 39 D C T 77.46 11.38 17.66 28.96 101.43 -119.04 34.62 52.13 91.88 1.18 6.94 31.74 18.75 42.06 2.98 3.19 0.00 0.49 0.79 40 L C C 47.90 16.80 18.89 34.86 103.10 142.19 -89.58 12.37 94.30 3.23 2.48 54.07 31.55 8.41 0.76 1.67 0.00 1.30 2.24 41 V C C 32.33 19.71 20.51 39.12 115.20 92.51 -103.11 123.97 96.17 3.37 0.46 56.61 38.38 1.38 0.18 0.26 0.00 1.20 1.99 42 P C C 16.79 21.25 17.95 39.04 117.35 -120.01 -69.20 152.39 98.88 0.98 0.14 92.29 6.24 0.37 0.05 0.07 0.00 0.38 0.61 43 A C C 47.00 7.90 24.32 32.62 116.85 -101.18 -68.67 151.89 99.77 0.15 0.07 98.48 1.28 0.04 0.05 0.01 0.00 0.03 0.12 44 P H H 54.49 15.01 16.29 31.33 91.30 -110.62 -57.65 -37.48 1.32 0.00 98.68 0.15 0.15 0.83 98.60 0.27 0.00 0.00 0.00 45 A H H 63.28 4.01 23.50 27.72 91.26 56.15 -63.43 -38.73 0.63 0.00 99.37 0.06 0.04 0.44 99.21 0.26 0.00 0.00 0.00 46 V H H 19.00 17.81 19.98 37.69 92.43 48.95 -66.23 -41.72 0.16 0.00 99.84 0.02 0.01 0.09 99.72 0.16 0.00 0.00 0.00 47 I H H 4.43 25.80 18.72 44.59 91.59 50.29 -63.55 -43.29 0.05 0.00 99.95 0.01 0.00 0.03 99.94 0.03 0.00 0.00 0.00 48 E H H 81.78 10.30 25.55 35.86 91.47 50.61 -63.33 -42.04 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 49 K H H 78.89 8.33 27.01 35.98 91.73 49.58 -64.67 -41.32 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 50 A H H 1.65 26.05 21.57 47.70 91.39 50.43 -63.86 -43.17 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 51 L H H 13.90 21.76 24.09 44.82 91.19 50.42 -63.42 -42.71 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 52 R H H 116.03 4.59 29.04 34.44 91.43 50.50 -63.28 -41.91 0.37 0.00 99.63 0.01 0.01 0.28 99.54 0.15 0.00 0.00 0.00 53 A H H 10.85 16.15 23.16 39.86 91.43 50.48 -64.49 -41.35 1.41 0.00 98.58 0.06 0.06 1.15 97.97 0.76 0.00 0.00 0.00 54 A H H 1.93 26.34 17.87 44.65 91.21 52.66 -65.68 -35.33 5.80 0.01 94.18 0.41 0.31 4.84 90.51 3.90 0.01 0.00 0.00 55 R H H 112.95 11.59 22.65 33.84 91.45 57.75 -65.70 -31.80 31.33 0.04 68.63 1.02 1.12 29.66 62.83 5.30 0.02 0.02 0.03 56 R H H 132.07 5.75 23.42 29.63 92.27 57.44 -74.67 -22.15 46.81 0.13 53.06 2.43 3.48 40.10 48.79 5.03 0.04 0.05 0.10 57 V C C 27.55 18.76 15.57 33.89 100.47 62.86 -87.70 9.10 73.08 1.17 25.75 33.13 17.81 22.15 22.31 3.33 0.02 0.35 0.90 58 N C C 97.18 9.63 20.81 30.83 96.61 -143.79 48.39 35.36 97.88 0.38 1.74 49.63 25.00 23.41 0.91 0.64 0.00 0.16 0.23 59 D C C 53.31 10.97 21.57 33.07 115.78 115.74 -115.06 115.46 96.75 1.31 1.94 73.89 20.62 1.85 1.47 0.39 0.00 0.26 1.50 60 L H H 41.02 20.32 18.01 37.33 93.74 -160.91 -63.67 -37.55 2.49 0.00 97.51 0.54 0.49 1.17 97.48 0.32 0.00 0.00 0.00 61 P H H 58.18 9.48 24.57 34.28 91.65 54.38 -63.09 -41.30 0.97 0.00 99.03 0.10 0.08 0.66 98.89 0.28 0.00 0.00 0.00 62 T H H 24.10 13.50 23.82 37.76 91.62 48.89 -65.41 -41.26 0.25 0.00 99.75 0.04 0.02 0.15 99.61 0.20 0.00 0.00 0.00 63 A H H 1.52 25.95 20.43 46.64 91.27 51.42 -62.79 -43.43 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 64 I H H 20.15 19.52 24.62 43.30 91.36 50.13 -63.74 -42.43 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 65 R H H 97.73 8.18 28.32 37.33 91.75 50.81 -63.90 -41.70 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 66 V H H 5.51 22.95 23.87 46.17 91.48 49.64 -63.90 -43.66 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 67 F H H 2.63 26.62 22.83 49.34 91.39 49.37 -63.98 -42.51 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 68 E H H 68.99 10.48 26.00 36.73 91.63 51.53 -64.01 -41.04 0.24 0.00 99.76 0.01 0.01 0.21 99.65 0.13 0.00 0.00 0.00 69 A H H 25.58 9.68 23.79 34.52 91.56 51.05 -65.08 -40.60 2.27 0.00 97.73 0.04 0.05 2.17 97.17 0.57 0.00 0.00 0.00 70 L H H 4.38 24.31 17.80 42.25 92.19 49.40 -67.63 -37.10 5.67 0.00 94.33 0.27 0.29 4.77 91.78 2.89 0.00 0.00 0.00 71 K H H 72.51 16.79 18.39 34.05 91.17 61.92 -61.17 -37.11 8.46 0.02 91.52 0.54 0.42 6.71 72.09 20.21 0.01 0.01 0.01 72 Y H H 160.39 2.28 22.41 24.36 91.59 54.14 -70.73 -25.36 23.01 0.03 76.96 0.77 0.95 20.44 57.50 20.28 0.02 0.01 0.02 73 K H H 86.80 10.06 17.62 28.23 96.29 48.32 -93.06 -10.93 36.60 0.12 63.29 2.83 3.45 28.87 46.45 18.21 0.04 0.05 0.10 74 V C C 16.38 21.86 7.90 28.14 120.68 87.07 -99.07 141.00 91.84 0.92 7.24 75.84 10.27 5.07 6.27 1.36 0.00 0.27 0.92 75 E C C 155.61 1.18 17.66 18.16 95.13 -154.31 -77.20 -25.89 98.04 0.25 1.71 50.05 41.99 6.16 0.94 0.58 0.00 0.09 0.19 76 N C C 77.59 4.68 15.52 21.49 119.80 46.34 -123.45 129.95 98.20 0.35 1.45 57.70 37.67 2.85 0.91 0.42 0.00 0.09 0.35 77 E H H 114.71 8.28 12.06 21.89 92.88 -144.82 -62.34 -34.52 8.58 0.01 91.41 1.60 1.74 5.05 88.23 3.35 0.00 0.00 0.01 78 D H H 114.19 1.00 18.17 17.55 91.52 55.97 -64.73 -38.72 6.11 0.01 93.88 0.60 0.57 4.63 90.36 3.83 0.01 0.00 0.00 79 Q H H 64.73 8.24 16.30 25.84 92.73 48.27 -66.97 -37.44 3.14 0.01 96.85 0.56 0.28 2.03 93.39 3.74 0.00 0.00 0.00 80 Y H H 18.89 20.79 12.58 33.16 91.75 52.48 -62.77 -43.21 0.56 0.00 99.44 0.15 0.06 0.26 99.15 0.38 0.00 0.00 0.00 81 K H H 107.21 5.25 21.44 27.29 91.41 51.37 -63.09 -41.12 0.19 0.00 99.81 0.03 0.01 0.10 99.75 0.10 0.00 0.00 0.00 82 A H H 46.25 3.56 22.32 25.76 91.41 50.97 -63.46 -42.05 0.11 0.00 99.89 0.01 0.01 0.07 99.84 0.07 0.00 0.00 0.00 83 Y H H 17.60 19.08 18.27 37.54 92.09 49.48 -63.83 -43.37 0.10 0.00 99.90 0.01 0.00 0.07 99.84 0.08 0.00 0.00 0.00 84 L H H 17.99 19.97 17.46 37.18 91.54 49.75 -63.73 -40.93 0.13 0.00 99.87 0.01 0.00 0.10 99.79 0.11 0.00 0.00 0.00 85 D H H 95.64 2.26 23.16 24.56 91.70 51.67 -64.56 -39.23 0.45 0.00 99.55 0.01 0.01 0.41 99.07 0.50 0.00 0.00 0.00 86 E H H 87.15 7.74 20.41 28.65 92.06 49.19 -68.85 -33.46 4.76 0.00 95.24 0.04 0.07 5.26 93.71 0.92 0.00 0.00 0.00 87 L H H 5.50 24.15 13.85 38.38 96.39 43.33 -92.50 -12.62 24.17 0.00 75.82 0.45 0.53 23.31 74.18 1.52 0.00 0.00 0.00 88 K H H 90.75 12.38 17.73 30.32 92.23 90.63 -58.16 -42.77 3.36 0.00 96.64 0.54 0.25 2.11 96.01 1.08 0.00 0.00 0.00 89 D H H 88.66 1.81 23.06 22.96 91.67 51.18 -64.43 -39.10 1.99 0.00 98.01 0.28 0.11 1.35 97.18 1.07 0.00 0.00 0.00 90 V H H 18.63 15.93 17.76 34.23 92.21 50.24 -65.33 -42.25 0.67 0.00 99.32 0.12 0.06 0.41 98.49 0.93 0.00 0.00 0.00 91 R H H 29.13 20.43 14.64 34.48 91.86 51.10 -62.99 -42.67 0.48 0.00 99.52 0.10 0.04 0.27 99.13 0.45 0.00 0.00 0.00 92 Q H H 125.55 2.19 19.81 22.07 91.77 49.87 -63.76 -40.76 0.67 0.00 99.33 0.07 0.04 0.48 98.60 0.80 0.00 0.00 0.00 93 E H H 115.80 4.08 18.47 23.39 91.43 52.25 -65.73 -33.40 3.18 0.00 96.81 0.09 0.12 3.00 96.04 0.75 0.00 0.00 0.00 94 L H H 25.73 18.64 13.37 32.07 93.41 46.41 -87.26 -6.52 42.03 0.02 57.95 0.29 0.94 41.53 56.01 1.20 0.01 0.00 0.02 95 G C T 52.55 2.48 22.39 24.59 95.14 -113.57 77.03 19.71 99.87 0.01 0.12 3.64 1.48 94.81 0.05 0.02 0.00 0.00 0.00 96 V C C 17.09 20.85 11.50 32.14 116.17 140.47 -100.56 125.77 99.69 0.24 0.07 93.22 6.33 0.15 0.03 0.02 0.00 0.07 0.17 97 P C C 64.20 6.04 22.66 28.96 114.60 -125.87 -74.50 143.50 99.35 0.35 0.30 97.86 1.33 0.30 0.14 0.06 0.00 0.12 0.19 98 L C C 38.14 17.46 16.10 33.10 115.39 -130.55 -85.08 141.44 91.70 2.70 5.60 87.77 2.77 1.17 4.11 0.94 0.00 0.70 2.54 99 K H H 78.22 14.81 15.57 29.65 96.67 -112.98 -63.20 -38.78 17.61 0.45 81.94 6.87 3.27 7.47 57.95 23.96 0.05 0.24 0.18 100 E H H 123.41 4.52 17.12 22.91 93.57 54.91 -66.55 -32.68 12.18 0.21 87.60 2.25 1.54 7.02 59.70 29.26 0.04 0.13 0.06 101 E H H 112.93 4.93 17.85 23.49 94.79 49.82 -76.99 -24.75 12.52 0.19 87.29 2.01 1.53 7.49 60.24 28.52 0.04 0.12 0.06 102 L H H 32.36 18.22 13.38 30.82 99.64 46.57 -87.24 -27.09 27.89 0.75 71.37 5.00 6.65 16.92 55.93 14.33 0.35 0.33 0.49 103 F C S 56.16 14.41 12.52 27.20 112.33 39.10 -119.02 93.60 95.10 1.51 3.39 39.17 52.77 3.09 2.36 0.89 0.00 0.46 1.26 104 P C C 75.15 6.43 13.34 21.45 105.96 -160.15 -70.55 129.22 87.62 1.03 11.35 49.45 11.52 26.68 2.91 8.37 0.00 0.52 0.55 105 S C C 85.44 2.91 12.16 16.59 105.51 -104.77 -85.25 67.37 87.12 1.53 11.35 38.57 16.44 32.52 2.16 8.80 0.00 0.75 0.75 106 S C C 77.21 4.71 9.94 16.45 108.76 96.51 -89.36 98.43 92.96 0.93 6.11 79.79 2.90 11.07 1.29 3.97 0.00 0.50 0.48 107 S C C 81.55 3.42 12.21 17.33 110.13 129.43 -91.37 106.99 99.95 0.04 0.01 99.86 0.08 0.03 0.00 0.00 0.00 0.02 0.00