# 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 N C C 97.04 4.54 13.92 19.57 105.69 -167.99 -87.98 87.71 99.91 0.03 0.05 99.85 0.05 0.04 0.04 0.00 0.00 0.01 0.01 1 I H H 92.15 6.32 10.15 17.94 98.90 139.21 -76.81 -22.01 39.23 0.22 60.55 36.38 0.81 2.85 58.83 0.94 0.00 0.07 0.11 2 K H H 137.17 2.02 12.56 15.41 94.04 65.63 -65.41 -39.28 11.49 0.08 88.43 6.20 1.55 3.74 86.57 1.88 0.00 0.03 0.03 3 S H H 62.41 2.25 13.83 16.53 93.28 51.34 -66.38 -38.90 7.24 0.06 92.69 3.75 1.00 2.62 90.33 2.24 0.00 0.03 0.03 4 A H H 42.71 5.35 12.60 19.91 92.73 53.13 -65.49 -40.23 4.53 0.06 95.41 2.37 0.68 1.65 93.28 1.97 0.00 0.03 0.02 5 I H H 80.04 4.59 14.41 20.36 92.53 50.95 -65.07 -41.30 3.77 0.07 96.17 1.93 0.60 1.42 94.91 1.08 0.00 0.03 0.02 6 K H H 117.05 2.28 16.51 18.82 92.28 50.77 -65.13 -40.65 4.40 0.08 95.52 2.23 0.64 1.69 94.45 0.92 0.01 0.04 0.03 7 R H H 132.53 3.15 16.31 20.13 92.35 50.39 -65.62 -40.03 5.94 0.09 93.98 2.75 0.82 2.46 92.88 1.01 0.01 0.04 0.03 8 T H H 60.65 6.30 15.23 22.65 92.66 50.50 -66.03 -40.12 7.83 0.09 92.09 3.39 1.13 3.31 90.96 1.13 0.01 0.04 0.04 9 K H H 118.29 2.86 17.87 20.87 92.77 50.78 -66.22 -38.90 14.01 0.11 85.88 5.17 1.97 6.44 85.22 1.11 0.01 0.04 0.06 10 T H H 64.40 3.77 17.05 21.40 93.91 49.58 -68.46 -38.93 27.37 0.16 72.46 11.70 3.79 10.73 72.55 1.08 0.00 0.05 0.10 11 N H H 59.21 7.97 14.80 24.24 93.48 55.34 -64.85 -41.41 18.25 0.08 81.66 11.31 2.43 3.49 82.03 0.68 0.00 0.03 0.04 12 N H H 89.49 3.46 17.50 21.26 92.52 50.81 -65.32 -40.21 6.03 0.02 93.95 2.66 0.86 2.14 93.77 0.54 0.00 0.01 0.01 13 E H H 111.24 2.18 18.67 20.18 92.49 50.06 -65.64 -40.98 2.67 0.01 97.32 0.97 0.35 1.14 97.11 0.42 0.00 0.00 0.00 14 R H H 100.38 8.45 16.40 25.81 92.24 50.22 -64.94 -40.87 1.60 0.01 98.39 0.53 0.19 0.71 98.27 0.29 0.00 0.00 0.00 15 R H H 113.10 7.49 17.18 25.55 92.05 51.16 -64.29 -40.87 1.30 0.00 98.69 0.36 0.14 0.61 98.68 0.20 0.00 0.00 0.00 16 V H H 85.24 2.09 20.82 21.51 91.91 49.54 -64.56 -41.87 1.05 0.00 98.94 0.24 0.10 0.53 98.96 0.15 0.00 0.00 0.00 17 H H H 95.31 4.77 20.06 25.25 92.12 49.17 -65.01 -41.31 1.19 0.00 98.81 0.23 0.10 0.66 98.88 0.13 0.00 0.00 0.00 18 N H H 32.96 15.53 15.79 31.53 91.99 50.22 -64.89 -39.99 1.38 0.00 98.61 0.25 0.11 0.80 98.72 0.12 0.00 0.00 0.00 19 A H H 55.28 5.01 20.76 26.11 91.78 51.61 -64.29 -40.73 0.63 0.00 99.36 0.12 0.06 0.33 99.42 0.07 0.00 0.00 0.00 20 T H H 79.38 2.12 23.26 23.63 91.94 49.63 -64.97 -41.49 0.47 0.00 99.53 0.08 0.04 0.25 99.56 0.06 0.00 0.00 0.00 21 I H H 34.39 14.44 18.69 33.51 92.01 48.70 -64.87 -42.25 0.30 0.00 99.70 0.04 0.02 0.17 99.72 0.05 0.00 0.00 0.00 22 K H H 60.51 16.05 18.66 33.96 91.28 51.65 -62.36 -42.33 0.23 0.00 99.77 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 23 S H H 61.79 2.37 24.42 25.26 91.29 50.17 -63.84 -40.97 0.32 0.00 99.68 0.04 0.02 0.20 99.70 0.04 0.00 0.00 0.00 24 A H H 47.67 5.64 22.84 28.82 91.53 49.88 -64.80 -41.00 0.35 0.00 99.65 0.03 0.01 0.23 99.68 0.04 0.00 0.00 0.00 25 M H H 11.41 22.59 16.12 38.69 91.62 50.54 -64.58 -42.49 0.26 0.00 99.74 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 26 R H H 112.64 8.62 22.58 31.60 91.21 51.42 -62.50 -41.94 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 27 T H H 75.83 1.98 25.44 25.25 91.39 49.36 -64.02 -41.75 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 28 A H H 14.11 15.00 19.84 35.62 91.57 50.31 -64.45 -42.08 0.13 0.00 99.87 0.01 0.01 0.08 99.89 0.02 0.00 0.00 0.00 29 I H H 20.04 20.43 18.54 38.50 91.41 51.02 -62.76 -42.90 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 30 K H H 120.16 2.65 25.00 27.07 91.34 50.69 -63.59 -41.23 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 31 Q H H 94.66 4.29 24.54 28.79 91.89 49.36 -65.12 -41.13 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 32 V H H 6.41 22.89 16.68 39.79 91.58 49.58 -64.38 -43.23 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.03 0.00 0.00 0.00 33 E H H 78.51 11.79 22.02 33.40 91.24 50.90 -62.55 -41.92 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 34 A H H 57.57 2.06 24.01 24.15 91.52 50.31 -63.95 -41.98 0.51 0.00 99.49 0.03 0.02 0.38 99.45 0.12 0.00 0.00 0.00 35 S H H 17.71 10.16 17.22 29.55 91.87 50.04 -64.42 -41.13 1.14 0.00 98.86 0.14 0.09 0.77 98.67 0.34 0.00 0.00 0.00 36 V H H 23.55 18.28 13.31 31.30 92.38 50.48 -65.03 -41.54 2.50 0.01 97.49 0.37 0.21 1.74 96.92 0.76 0.00 0.00 0.00 37 A H H 78.79 2.92 17.74 21.51 91.10 54.35 -65.18 -30.62 7.78 0.01 92.21 0.32 0.42 6.87 91.80 0.57 0.01 0.00 0.00 38 N C T 110.87 1.61 16.81 17.74 93.12 48.01 -90.20 3.63 85.72 0.01 14.26 0.56 2.19 81.82 14.82 0.58 0.00 0.00 0.01 39 N C T 110.32 6.11 13.85 21.91 93.12 -118.16 61.78 33.01 99.45 0.01 0.54 2.32 2.58 94.65 0.36 0.07 0.00 0.00 0.00 40 E C C 87.40 5.12 16.64 23.30 104.69 146.24 -97.33 81.82 99.01 0.16 0.83 98.32 0.61 0.32 0.52 0.08 0.00 0.04 0.12 41 A H H 40.77 15.11 12.65 27.70 94.38 168.66 -64.71 -36.92 5.92 0.01 94.07 2.81 0.79 2.23 93.06 1.10 0.00 0.00 0.01 42 D H H 108.90 1.38 21.94 21.83 91.79 53.01 -64.21 -41.03 2.64 0.00 97.35 0.35 0.25 1.85 96.41 1.14 0.00 0.00 0.00 43 K H H 102.18 4.44 21.73 26.26 92.08 47.45 -66.52 -39.19 1.39 0.00 98.61 0.24 0.11 0.88 97.69 1.07 0.00 0.00 0.00 44 A H H 4.95 22.22 13.08 35.51 91.52 52.36 -63.74 -41.71 0.78 0.00 99.22 0.20 0.07 0.36 99.03 0.34 0.00 0.00 0.00 45 K H H 95.05 10.19 22.58 32.65 91.53 52.91 -62.71 -41.95 0.47 0.00 99.52 0.09 0.03 0.24 99.52 0.13 0.00 0.00 0.00 46 T H H 80.27 1.85 26.50 26.18 91.36 49.88 -63.87 -41.77 0.66 0.00 99.34 0.06 0.02 0.46 99.31 0.14 0.00 0.00 0.00 47 A H H 15.80 14.59 21.00 36.18 91.59 50.05 -64.50 -42.31 0.63 0.00 99.37 0.06 0.02 0.42 99.38 0.11 0.00 0.00 0.00 48 L H H 10.42 23.49 18.55 41.63 91.54 51.48 -62.97 -42.98 0.19 0.00 99.81 0.03 0.01 0.09 99.85 0.03 0.00 0.00 0.00 49 T H H 69.13 5.40 25.83 31.45 91.27 50.27 -63.81 -42.06 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 50 E H H 95.06 3.71 26.87 30.31 91.44 49.41 -64.28 -42.09 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 51 A H H 4.17 21.92 19.24 41.45 91.33 50.10 -63.58 -42.91 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 52 A H H 21.56 17.16 21.62 38.23 91.36 51.81 -62.76 -42.06 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 53 K H H 123.15 2.05 26.66 27.43 91.43 50.64 -63.78 -41.50 0.20 0.00 99.80 0.00 0.00 0.19 99.79 0.01 0.00 0.00 0.00 54 R H H 82.73 10.42 23.90 34.33 91.72 48.83 -64.98 -41.48 0.29 0.00 99.71 0.01 0.01 0.22 99.72 0.03 0.00 0.00 0.00 55 I H H 5.65 24.75 17.34 42.19 91.56 49.29 -64.33 -42.46 0.18 0.00 99.82 0.02 0.01 0.12 99.77 0.08 0.00 0.00 0.00 56 D H H 62.06 8.03 23.47 31.77 91.33 51.40 -62.87 -41.66 0.32 0.00 99.68 0.03 0.01 0.22 99.67 0.07 0.00 0.00 0.00 57 K H H 106.68 2.70 24.88 26.43 91.80 49.94 -64.94 -40.98 0.62 0.00 99.38 0.03 0.03 0.50 99.32 0.12 0.00 0.00 0.00 58 A H H 8.57 15.73 16.18 33.33 91.94 51.07 -64.50 -41.51 1.05 0.00 98.95 0.11 0.08 0.74 98.81 0.25 0.00 0.00 0.00 59 V H H 39.69 14.26 15.35 29.86 92.21 51.19 -64.05 -41.11 3.11 0.02 96.87 0.36 0.28 2.43 95.72 1.17 0.01 0.01 0.01 60 K H H 157.30 1.24 19.15 19.53 91.07 52.55 -64.82 -31.76 8.14 0.01 91.85 0.26 0.37 7.87 90.46 1.01 0.01 0.00 0.01 61 T C T 79.65 4.58 15.50 21.23 92.87 52.04 -85.05 -3.75 74.76 0.02 25.22 0.26 1.68 72.86 23.91 1.26 0.01 0.00 0.03 62 G C T 51.72 3.70 17.20 21.95 95.53 -110.26 80.23 10.77 99.71 0.01 0.28 0.58 4.51 94.72 0.12 0.06 0.00 0.00 0.00 63 L C S 49.51 13.24 15.96 29.87 94.71 120.56 -78.12 -30.23 99.83 0.11 0.06 4.72 94.10 1.06 0.03 0.01 0.00 0.03 0.04 64 V C S 10.91 21.89 11.72 33.48 132.43 22.33 -134.72 149.40 96.87 3.04 0.09 8.95 87.84 0.62 0.04 0.02 0.00 0.53 2.00 65 H C C 104.00 3.56 21.59 24.60 116.21 -104.73 -70.42 150.16 99.37 0.51 0.12 98.70 0.72 0.06 0.07 0.01 0.00 0.25 0.18 66 K H H 124.15 8.85 13.57 23.74 91.64 -113.37 -57.93 -38.05 27.71 0.08 72.21 2.27 3.23 21.91 65.74 6.71 0.05 0.03 0.07 67 N H H 115.71 1.19 20.92 20.09 91.58 53.29 -65.17 -37.65 24.21 0.05 75.74 1.68 2.18 19.96 70.44 5.66 0.03 0.02 0.04 68 T H H 42.33 8.53 18.85 28.58 92.66 48.97 -67.07 -39.74 9.48 0.07 90.45 2.85 1.36 5.20 85.41 5.10 0.01 0.03 0.04 69 A H H 5.25 21.49 12.81 34.64 91.44 53.18 -62.95 -42.70 2.47 0.01 97.52 0.75 0.30 1.24 96.66 1.03 0.00 0.00 0.00 70 A H H 55.11 5.06 21.62 26.99 91.71 51.59 -63.76 -41.16 1.05 0.00 98.94 0.28 0.10 0.51 98.63 0.47 0.00 0.00 0.00 71 R H H 137.88 1.97 23.70 24.01 92.11 49.40 -64.75 -41.54 0.72 0.00 99.28 0.15 0.06 0.38 99.13 0.27 0.00 0.00 0.00 72 Y H H 56.87 15.18 19.31 34.16 92.16 48.46 -65.61 -41.42 0.57 0.00 99.43 0.10 0.04 0.30 99.40 0.15 0.00 0.00 0.00 73 K H H 56.53 17.22 18.47 34.78 91.58 51.77 -62.37 -42.28 0.71 0.00 99.29 0.12 0.05 0.37 99.34 0.11 0.00 0.00 0.00 74 S H H 60.87 2.55 23.91 25.17 91.33 50.64 -63.87 -41.63 1.23 0.00 98.76 0.19 0.07 0.69 98.92 0.13 0.00 0.00 0.00 75 R H H 108.78 4.62 23.19 27.84 91.70 49.70 -64.74 -41.29 1.25 0.00 98.75 0.18 0.08 0.76 98.82 0.16 0.00 0.00 0.00 76 L H H 11.46 20.90 16.17 37.26 91.93 50.13 -64.59 -42.33 0.94 0.00 99.06 0.19 0.07 0.50 99.04 0.20 0.00 0.00 0.00 77 A H H 39.75 10.55 19.85 30.98 91.68 51.78 -62.70 -41.30 0.79 0.00 99.21 0.18 0.06 0.40 99.15 0.21 0.00 0.00 0.00 78 K H H 132.16 1.52 22.97 22.60 91.70 50.05 -64.69 -41.08 1.05 0.00 98.95 0.19 0.08 0.62 98.73 0.37 0.00 0.00 0.00 79 K H H 86.10 8.82 19.51 28.84 92.18 48.66 -65.96 -40.40 1.80 0.00 98.20 0.32 0.15 1.11 97.88 0.53 0.00 0.00 0.00 80 V H H 24.68 18.18 13.81 31.88 92.44 49.82 -66.00 -40.52 3.71 0.01 96.28 0.78 0.41 2.25 95.70 0.85 0.00 0.00 0.01 81 N H H 96.29 4.02 17.61 22.42 92.35 51.51 -67.48 -33.45 12.50 0.05 87.46 2.58 1.40 8.06 86.32 1.60 0.01 0.02 0.03 82 G H H 49.32 2.46 16.00 18.70 94.96 54.71 -70.41 -28.13 31.26 0.11 68.63 5.70 3.13 22.21 65.90 2.93 0.02 0.04 0.07 83 L H H 75.80 10.54 10.86 21.93 97.53 62.00 -79.28 -16.83 43.73 0.46 55.81 12.56 7.47 24.85 50.88 3.72 0.04 0.18 0.29 84 S C C 83.32 3.26 12.66 17.41 101.38 65.97 -83.10 8.59 67.01 0.46 32.53 38.48 1.84 25.14 31.94 2.11 0.00 0.18 0.31 85 A C C 71.08 5.47 11.56 18.60 105.09 92.54 -80.34 41.94 99.96 0.01 0.02 99.88 0.05 0.05 0.02 0.00 0.00 0.00 0.00