#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee8 n SER 2 N 0.00 -2.33 -4.85 1.61 2.88 -1.26 -4.91 113.62 104.76 2ee8 n SER 2 Ca 0.00 -1.05 -0.33 0.00 -1.33 0.00 0.00 58.87 56.16 2ee8 n SER 2 Cb 0.00 -2.62 -0.06 0.00 -0.75 0.00 0.00 64.21 60.78 2ee8 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ee8 s SER 3 N -3.56 6.79 0.00 -3.46 0.01 -1.26 -5.02 113.70 107.20 2ee8 s SER 3 Ca 0.56 1.27 0.00 0.00 1.31 0.00 0.00 55.95 59.09 2ee8 s SER 3 Cb -0.31 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2ee8 s SER 3 CO 0.94 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 175.03 2ee8 n GLY 4 N -0.21 4.81 3.52 3.44 0.00 -1.26 -5.19 105.19 110.29 2ee8 n GLY 4 Ca 0.03 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 2ee8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ee8 s SER 5 N 0.00 -0.33 0.00 1.61 1.04 -1.26 -5.19 113.70 109.57 2ee8 s SER 5 Ca 0.00 0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.14 2ee8 s SER 5 Cb 0.00 0.35 0.11 0.00 0.10 0.00 0.00 66.02 66.58 2ee8 s SER 5 CO 0.00 -0.56 1.19 -0.55 0.98 0.00 0.00 173.24 174.30 2ee8 s SER 6 N -2.41 -0.10 -0.07 7.02 0.15 -1.26 -5.19 113.70 111.83 2ee8 s SER 6 Ca 0.05 -0.18 -0.31 0.00 0.70 0.00 0.00 55.95 56.22 2ee8 s SER 6 Cb -0.01 0.24 0.12 0.00 -1.71 0.00 0.00 66.02 64.67 2ee8 s SER 6 CO -0.08 -0.44 1.37 -0.83 1.20 0.00 0.00 173.24 174.46 2ee8 s GLY 7 N -2.87 -0.35 -0.44 9.45 0.00 -1.26 -5.10 107.32 106.76 2ee8 s GLY 7 Ca 0.13 0.55 -0.27 0.00 0.00 0.00 0.00 44.72 45.13 2ee8 s GLY 7 CO -0.03 2.86 2.13 -0.32 0.00 0.00 0.00 173.10 177.74 2ee8 s GLY 8 N -3.39 0.12 0.00 0.20 0.00 -1.26 -4.89 107.32 98.11 2ee8 s GLY 8 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.99 2ee8 s GLY 8 CO -0.04 3.74 0.84 0.54 0.00 0.00 0.00 173.10 178.18 2ee8 n ARG 9 N 8.90 0.00 -4.21 2.90 1.74 -1.26 -4.69 116.66 120.04 2ee8 n ARG 9 Ca 0.29 0.78 -0.16 0.00 -0.77 0.00 0.00 57.85 57.98 2ee8 n ARG 9 Cb 0.51 -1.34 -0.14 0.00 -1.02 0.00 0.00 32.46 30.47 2ee8 n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ee8 s LEU 10 N -4.50 2.09 0.00 0.55 1.02 -1.26 -5.16 118.68 111.42 2ee8 s LEU 10 Ca 0.00 -0.25 -0.16 0.00 0.02 0.00 0.00 54.13 53.74 2ee8 s LEU 10 Cb 0.00 -0.33 0.23 0.00 0.02 0.00 0.00 46.19 46.11 2ee8 s LEU 10 CO 0.00 0.01 0.83 -0.81 0.02 0.00 0.00 176.35 176.40 2ee8 n PRO 11 N 2.48 -2.64 -3.15 1.29 -0.04 -1.26 -5.09 135.00 126.58 2ee8 n PRO 11 Ca -0.16 -1.32 0.05 0.00 -0.04 0.00 0.00 63.50 62.03 2ee8 n PRO 11 Cb 0.57 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 2ee8 n PRO 11 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ee8 s SER 12 N -3.73 -0.77 0.11 3.54 0.15 -1.26 -5.17 113.70 106.56 2ee8 s SER 12 Ca 0.54 0.39 -0.10 0.00 0.70 0.00 0.00 55.95 57.48 2ee8 s SER 12 Cb -0.05 1.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.87 2ee8 s SER 12 CO 0.41 -0.14 0.25 -0.54 1.20 0.00 0.00 173.24 174.41 2ee8 s LYS 13 N 2.92 0.95 -0.18 5.44 -0.14 -1.26 -5.17 119.74 122.29 2ee8 s LYS 13 Ca 0.09 -0.96 -0.17 0.00 -1.36 0.00 0.00 55.97 53.58 2ee8 s LYS 13 Cb -0.10 0.37 0.05 0.00 -1.68 0.00 0.00 37.83 36.47 2ee8 s LYS 13 CO -0.16 -0.33 0.49 0.95 -0.76 0.00 0.00 175.35 175.54 2ee8 s THR 14 N -3.87 -0.00 -0.11 2.17 -4.23 -1.26 -5.16 115.64 103.18 2ee8 s THR 14 Ca 0.07 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.53 2ee8 s THR 14 Cb 0.04 -0.69 0.05 0.00 1.34 0.00 0.00 72.50 73.24 2ee8 s THR 14 CO -0.09 0.00 0.24 -0.54 -0.54 0.00 0.00 174.62 173.69 2ee8 s LYS 15 N 0.33 0.18 -0.15 3.99 -0.14 -1.26 -5.14 119.74 117.56 2ee8 s LYS 15 Ca -0.01 0.56 -0.04 0.00 -1.36 0.00 0.00 55.97 55.12 2ee8 s LYS 15 Cb -0.04 -0.12 0.07 0.00 -1.68 0.00 0.00 37.83 36.07 2ee8 s LYS 15 CO -0.00 -0.19 0.25 0.15 -0.76 0.00 0.00 175.35 174.80 2ee8 s LYS 16 N 1.51 0.16 0.24 1.68 3.01 -1.26 -5.15 119.74 119.92 2ee8 s LYS 16 Ca -0.07 0.61 -0.04 0.00 -1.01 0.00 0.00 55.97 55.46 2ee8 s LYS 16 Cb -0.11 -0.32 -0.02 0.00 -1.01 0.00 0.00 37.83 36.37 2ee8 s LYS 16 CO -0.08 -0.38 0.29 -1.83 0.51 0.00 0.00 175.35 173.85 2ee8 s GLU 17 N 2.40 1.43 0.37 1.68 1.03 -1.26 -4.77 118.70 119.58 2ee8 s GLU 17 Ca 0.03 -1.56 0.03 0.00 0.03 0.00 0.00 54.97 53.50 2ee8 s GLU 17 Cb -0.13 0.35 -0.01 0.00 -0.80 0.00 0.00 34.13 33.54 2ee8 s GLU 17 CO -0.09 -0.53 0.11 1.19 -1.33 0.00 0.00 175.26 174.60 2ee8 n PHE 18 N -0.36 0.27 -3.82 4.83 3.72 -1.26 -5.09 117.46 115.74 2ee8 n PHE 18 Ca 0.01 -2.27 -0.13 0.00 -0.05 0.00 0.00 57.45 55.01 2ee8 n PHE 18 Cb 0.64 -0.05 -0.15 0.00 -0.94 0.00 0.00 39.48 38.98 2ee8 n PHE 18 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2ee8 s ILE 19 N -2.84 -0.02 1.03 4.37 1.01 -1.26 -3.58 121.20 119.91 2ee8 s ILE 19 Ca 0.15 0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.69 2ee8 s ILE 19 Cb 0.01 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.36 2ee8 s ILE 19 CO 0.11 0.04 -0.49 0.00 0.00 0.00 0.00 174.94 174.59 2ee8 n LYS 21 N 0.10 2.25 0.05 0.00 2.85 -1.26 -3.61 118.16 118.54 2ee8 n LYS 21 Ca 0.01 0.01 -0.13 0.00 -1.05 0.00 0.00 58.31 57.15 2ee8 n LYS 21 Cb 0.63 -1.13 -0.09 0.00 -0.65 0.00 0.00 35.03 33.79 2ee8 n LYS 21 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2ee8 h PHE 22 N 0.00 -0.13 0.00 5.58 0.04 -2.00 -3.38 116.94 117.06 2ee8 h PHE 22 Ca -0.14 -0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.40 2ee8 h PHE 22 Cb 1.29 0.04 -0.04 0.00 2.20 0.00 0.00 35.95 39.44 2ee8 h PHE 22 CO 0.00 0.26 -1.86 0.00 -0.60 0.00 0.00 178.31 176.11 2ee8 n GLY 24 N 2.31 0.95 3.78 0.00 0.00 -1.24 -5.03 105.19 105.96 2ee8 n GLY 24 Ca -0.21 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 2ee8 n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ee8 s ARG 25 N -1.33 3.14 0.27 1.61 3.52 -1.26 -4.54 118.95 120.36 2ee8 s ARG 25 Ca 0.00 1.43 -0.01 0.00 -0.13 0.00 0.00 55.73 57.03 2ee8 s ARG 25 Cb 0.00 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.36 2ee8 s ARG 25 CO 0.00 -0.99 0.47 -1.01 -0.81 0.00 0.00 175.30 172.96 2ee8 s HIS 26 N -2.15 3.49 0.11 5.12 3.76 -1.26 -0.53 115.29 123.82 2ee8 s HIS 26 Ca 0.68 0.37 -0.08 0.00 -0.15 0.00 0.00 55.06 55.88 2ee8 s HIS 26 Cb -0.21 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 2ee8 s HIS 26 CO 0.34 0.26 0.19 -0.06 -0.85 0.00 0.00 174.74 174.62 2ee8 s PHE 27 N -2.08 0.28 -0.25 1.40 0.40 -1.23 -4.95 117.98 111.55 2ee8 s PHE 27 Ca 0.40 -0.71 -0.14 0.00 -0.60 0.00 0.00 56.93 55.88 2ee8 s PHE 27 Cb -0.10 -0.11 -0.15 0.00 0.51 0.00 0.00 43.02 43.17 2ee8 s PHE 27 CO 0.32 -0.57 -0.18 2.41 0.70 0.00 0.00 175.22 177.90 2ee8 n THR 28 N -0.08 1.54 -3.35 0.64 -1.04 -1.26 -4.50 114.28 106.22 2ee8 n THR 28 Ca -0.13 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.05 61.17 2ee8 n THR 28 Cb 0.62 -1.87 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 2ee8 n THR 28 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ee8 s LYS 29 N -2.48 4.26 0.63 -2.82 2.47 -1.26 -4.78 119.74 115.76 2ee8 s LYS 29 Ca -0.35 0.45 0.38 0.00 -1.56 0.00 0.00 55.97 54.89 2ee8 s LYS 29 Cb 0.12 -3.39 2.13 0.00 -1.46 0.00 0.00 37.83 35.24 2ee8 s LYS 29 CO 0.54 0.28 2.31 0.77 0.16 0.00 0.00 175.35 179.41 2ee8 h SER 30 N 6.22 0.00 0.10 1.43 0.02 -1.92 -2.38 113.55 117.03 2ee8 h SER 30 Ca -0.43 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.22 2ee8 h SER 30 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2ee8 h SER 30 CO 0.72 0.01 -1.59 0.22 -1.14 0.00 0.00 176.83 175.05 2ee8 h TYR 31 N 0.00 0.38 -0.21 3.45 5.03 -2.00 -3.34 116.97 120.28 2ee8 h TYR 31 Ca -0.00 -0.28 0.06 0.00 2.58 0.00 0.00 58.73 61.09 2ee8 h TYR 31 Cb 0.03 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 2ee8 h TYR 31 CO 0.00 1.63 0.32 -0.97 -1.32 0.00 0.00 178.16 177.82 2ee8 h ASN 32 N -0.30 0.00 -0.12 -2.11 -0.73 -1.84 -0.37 115.58 110.11 2ee8 h ASN 32 Ca -0.35 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.71 2ee8 h ASN 32 Cb 1.78 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.37 2ee8 h ASN 32 CO 0.02 0.00 -0.32 0.25 -0.37 0.00 0.00 177.43 177.01 2ee8 h LEU 33 N 0.00 0.49 -1.05 0.34 5.85 -1.62 -3.16 115.31 116.16 2ee8 h LEU 33 Ca 0.10 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2ee8 h LEU 33 Cb 0.74 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2ee8 h LEU 33 CO -0.00 0.99 0.59 0.17 -0.34 0.00 0.00 178.44 179.86 2ee8 h LEU 34 N 0.01 1.08 -1.45 2.25 8.10 -1.21 -1.82 115.31 122.27 2ee8 h LEU 34 Ca -0.01 -0.04 0.05 0.00 0.11 0.00 0.00 57.88 57.99 2ee8 h LEU 34 Cb 0.94 -0.27 -0.04 0.00 -0.44 0.00 0.00 40.66 40.85 2ee8 h LEU 34 CO 0.07 0.80 0.42 0.40 -4.11 0.00 0.00 178.44 176.02 2ee8 h ILE 35 N 1.26 1.04 -0.03 0.15 2.04 -1.50 -2.59 117.51 117.88 2ee8 h ILE 35 Ca 0.34 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 2ee8 h ILE 35 Cb -0.11 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2ee8 h ILE 35 CO -0.07 0.12 -0.13 -0.74 0.00 0.00 0.00 178.15 177.33 2ee8 h HIS 36 N 0.68 0.20 -0.92 1.37 2.76 -1.32 -3.14 115.15 114.78 2ee8 h HIS 36 Ca 0.27 -0.08 0.27 0.00 -2.20 0.00 0.00 60.37 58.62 2ee8 h HIS 36 Cb 0.20 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 2ee8 h HIS 36 CO -0.00 0.77 0.94 0.93 -1.30 0.00 0.00 177.93 179.27 2ee8 h GLU 37 N -0.44 0.00 -0.96 5.26 5.08 -1.00 0.64 114.58 123.16 2ee8 h GLU 37 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ee8 h GLU 37 Cb 0.79 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 2ee8 h GLU 37 CO 0.03 0.00 0.60 0.00 -1.00 0.00 0.00 179.01 178.63 2ee8 h ARG 38 N 0.00 1.29 0.00 2.33 3.08 -1.48 -1.23 114.38 118.37 2ee8 h ARG 38 Ca 0.44 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 2ee8 h ARG 38 Cb 2.30 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 32.07 2ee8 h ARG 38 CO -0.00 0.89 -0.07 1.79 -1.07 0.00 0.00 179.97 181.50 2ee8 h THR 39 N 1.32 0.52 0.00 2.04 1.35 0.12 -2.94 112.91 115.32 2ee8 h THR 39 Ca 0.35 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 2ee8 h THR 39 Cb -0.09 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2ee8 h THR 39 CO -0.07 0.07 -0.00 0.45 -0.25 0.00 0.00 175.52 175.72 2ee8 h HIS 40 N 0.00 -0.00 -3.42 4.73 3.86 -1.30 -3.46 115.15 115.56 2ee8 h HIS 40 Ca -0.00 -0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 2ee8 h HIS 40 Cb 0.22 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.78 2ee8 h HIS 40 CO 0.00 0.84 0.83 0.25 0.86 0.00 0.00 177.93 180.72 2ee8 n THR 41 N -4.65 1.29 -3.15 2.45 -2.24 -0.85 -4.93 114.28 102.21 2ee8 n THR 41 Ca -0.09 -0.32 -0.46 0.00 -2.27 0.00 0.00 64.05 60.91 2ee8 n THR 41 Cb 0.41 -1.94 -0.02 0.00 -2.10 0.00 0.00 70.33 66.68 2ee8 n THR 41 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2ee8 s ASP 42 N 0.31 6.66 0.43 3.42 -4.77 -1.26 -4.94 116.67 116.51 2ee8 s ASP 42 Ca 0.61 -2.31 0.08 0.00 -3.30 0.00 0.00 52.55 47.62 2ee8 s ASP 42 Cb -0.50 -2.30 -0.01 0.00 -1.09 0.00 0.00 42.92 39.02 2ee8 s ASP 42 CO 0.53 -0.82 0.38 -1.83 0.70 0.00 0.00 175.17 174.13 2ee8 s GLU 43 N 1.42 2.49 -0.26 2.11 1.03 -1.26 -5.02 118.70 119.20 2ee8 s GLU 43 Ca 0.23 -1.60 -0.40 0.00 0.03 0.00 0.00 54.97 53.23 2ee8 s GLU 43 Cb -0.09 -2.34 -0.18 0.00 -0.80 0.00 0.00 34.13 30.71 2ee8 s GLU 43 CO -0.08 -0.25 1.26 0.54 -1.33 0.00 0.00 175.26 175.40 2ee8 n ARG 44 N -1.57 0.00 0.01 -4.83 1.74 -1.26 -4.86 116.66 105.88 2ee8 n ARG 44 Ca 0.03 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.98 2ee8 n ARG 44 Cb 0.62 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.59 2ee8 n ARG 44 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2ee8 h PRO 45 N 3.80 -0.05 -5.47 5.56 0.13 -1.96 -3.42 132.00 130.59 2ee8 h PRO 45 Ca -0.43 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.23 2ee8 h PRO 45 Cb 1.28 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2ee8 h PRO 45 CO 0.77 0.42 1.67 0.66 -0.23 0.00 0.00 178.00 181.28 2ee8 n TYR 46 N -4.89 1.23 -4.08 1.56 4.01 -1.26 -4.90 117.16 108.83 2ee8 n TYR 46 Ca -0.08 0.18 -0.14 0.00 -0.16 0.00 0.00 57.90 57.70 2ee8 n TYR 46 Cb 0.25 -2.58 -0.13 0.00 -0.31 0.00 0.00 39.34 36.57 2ee8 n TYR 46 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2ee8 s THR 47 N 11.53 0.42 1.17 -0.72 2.01 -1.26 -0.98 115.64 127.81 2ee8 s THR 47 Ca 1.07 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 62.23 2ee8 s THR 47 Cb -0.42 -0.43 0.29 0.00 0.01 0.00 0.00 72.50 71.95 2ee8 s THR 47 CO 0.31 -0.16 0.98 0.00 -0.69 0.00 0.00 174.62 175.07 2ee8 n ASP 49 N -4.87 2.58 0.00 0.00 2.03 -1.26 -4.40 116.55 110.63 2ee8 n ASP 49 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2ee8 n ASP 49 Cb 0.55 1.37 0.00 0.00 -0.72 0.00 0.00 41.12 42.32 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2ee8 n ILE 50 N -1.94 0.00 0.24 5.18 5.41 -1.26 -4.53 119.36 122.46 2ee8 n ILE 50 Ca -0.04 0.13 0.13 0.00 1.00 0.00 0.00 62.75 63.96 2ee8 n ILE 50 Cb 0.36 -1.00 0.64 0.00 -0.71 0.00 0.00 39.64 38.92 2ee8 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ee8 n HIS 52 N -2.38 -2.01 -3.43 0.00 -0.00 -1.26 -4.96 115.22 101.17 2ee8 n HIS 52 Ca -0.01 0.86 -0.34 0.00 0.46 0.00 0.00 57.72 58.69 2ee8 n HIS 52 Cb 0.10 -4.34 -0.06 0.00 -0.12 0.00 0.00 29.99 25.57 2ee8 n HIS 52 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2ee8 s LYS 53 N -6.10 3.87 -0.03 1.57 1.02 -1.26 -4.69 119.74 114.11 2ee8 s LYS 53 Ca 0.14 0.34 -0.14 0.00 0.02 0.00 0.00 55.97 56.33 2ee8 s LYS 53 Cb -0.07 -2.84 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 2ee8 s LYS 53 CO 0.81 0.44 0.38 0.00 -0.92 0.00 0.00 175.35 176.06 2ee8 s ALA 54 N -1.58 3.70 0.26 5.17 0.00 -1.26 -1.43 121.76 126.62 2ee8 s ALA 54 Ca 0.40 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.11 2ee8 s ALA 54 Cb -0.13 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 2ee8 s ALA 54 CO 0.20 0.44 0.07 -0.06 0.00 0.00 0.00 175.76 176.41 2ee8 s PHE 55 N -0.86 1.58 -0.18 0.00 0.40 -0.15 -5.01 117.98 113.77 2ee8 s PHE 55 Ca 0.22 -1.11 -0.15 0.00 -0.60 0.00 0.00 56.93 55.30 2ee8 s PHE 55 Cb -0.16 -0.94 -0.07 0.00 0.51 0.00 0.00 43.02 42.36 2ee8 s PHE 55 CO 0.12 -0.25 -0.23 -2.13 0.70 0.00 0.00 175.22 173.43 2ee8 n ARG 56 N -0.48 0.51 -3.57 0.44 0.63 -1.26 -4.38 116.66 108.55 2ee8 n ARG 56 Ca -0.01 0.37 -0.28 0.00 -0.92 0.00 0.00 57.85 57.01 2ee8 n ARG 56 Cb 0.66 -1.57 -0.03 0.00 0.45 0.00 0.00 32.46 31.97 2ee8 n ARG 56 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2ee8 s ARG 57 N -2.56 3.57 -0.00 -0.14 0.52 -1.26 -4.87 118.95 114.20 2ee8 s ARG 57 Ca -0.25 -0.20 -0.08 0.00 -0.52 0.00 0.00 55.73 54.68 2ee8 s ARG 57 Cb 0.05 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 2ee8 s ARG 57 CO 0.38 0.34 0.74 0.37 0.02 0.00 0.00 175.30 177.15 2ee8 h GLN 58 N 1.96 -0.27 -0.77 3.54 4.15 -2.00 -3.04 115.11 118.67 2ee8 h GLN 58 Ca -0.48 0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.14 2ee8 h GLN 58 Cb 1.19 0.06 -0.15 0.00 0.21 0.00 0.00 27.48 28.79 2ee8 h GLN 58 CO 0.68 -0.18 -0.12 -0.25 -1.93 0.00 0.00 178.83 177.03 2ee8 n ASP 59 N -3.12 -0.21 -0.22 -0.69 8.00 -1.26 0.21 116.55 119.26 2ee8 n ASP 59 Ca -0.04 1.32 0.00 0.00 0.71 0.00 0.00 54.79 56.79 2ee8 n ASP 59 Cb 0.11 -0.43 0.12 0.00 -0.02 0.00 0.00 41.12 40.90 2ee8 n ASP 59 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 2ee8 h HIS 60 N 0.00 0.49 -0.53 1.24 3.86 -1.99 0.23 115.15 118.45 2ee8 h HIS 60 Ca 0.41 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.57 2ee8 h HIS 60 Cb 0.71 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 2ee8 h HIS 60 CO -0.52 0.16 0.04 1.25 0.86 0.00 0.00 177.93 179.72 2ee8 h LEU 61 N 0.49 0.88 0.50 2.43 5.85 0.25 -1.84 115.31 123.87 2ee8 h LEU 61 Ca 0.32 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2ee8 h LEU 61 Cb 0.36 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2ee8 h LEU 61 CO -0.28 0.95 -0.24 0.03 -0.34 0.00 0.00 178.44 178.55 2ee8 h ARG 62 N 0.79 -0.65 -1.07 1.25 2.47 -0.23 -2.26 114.38 114.68 2ee8 h ARG 62 Ca 0.16 0.04 0.29 0.00 -1.26 0.00 0.00 59.98 59.21 2ee8 h ARG 62 Cb 0.47 0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 28.87 2ee8 h ARG 62 CO 0.02 -0.43 0.73 0.22 0.56 0.00 0.00 179.97 181.07 2ee8 h ASP 63 N -0.85 0.21 -0.48 7.04 1.82 -0.66 0.29 116.42 123.78 2ee8 h ASP 63 Ca -0.07 0.04 -0.10 0.00 -0.39 0.00 0.00 57.03 56.51 2ee8 h ASP 63 Cb 0.52 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 2ee8 h ASP 63 CO 0.11 0.04 -0.07 -0.74 -1.61 0.00 0.00 179.24 176.98 2ee8 h HIS 64 N 0.19 1.00 0.00 0.28 2.76 -1.22 -2.71 115.15 115.45 2ee8 h HIS 64 Ca 0.55 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2ee8 h HIS 64 Cb 1.81 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.52 2ee8 h HIS 64 CO -0.00 0.96 0.67 -0.09 -1.30 0.00 0.00 177.93 178.17 2ee8 h ARG 65 N 0.76 0.00 -0.82 5.26 2.43 0.19 0.28 114.38 122.47 2ee8 h ARG 65 Ca 0.13 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 2ee8 h ARG 65 Cb 0.61 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 2ee8 h ARG 65 CO 0.04 0.00 0.54 -0.92 -1.51 0.00 0.00 179.97 178.12 2ee8 h TYR 66 N 0.00 0.88 -0.17 2.20 5.03 -1.55 0.12 116.97 123.48 2ee8 h TYR 66 Ca 0.00 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.38 2ee8 h TYR 66 Cb 1.35 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 39.33 2ee8 h TYR 66 CO 0.00 0.44 0.25 -0.84 -1.32 0.00 0.00 178.16 176.69 2ee8 h ILE 67 N 0.84 0.32 -3.32 1.81 3.07 -0.66 -3.40 117.51 116.17 2ee8 h ILE 67 Ca 0.37 0.00 -0.56 0.00 1.55 0.00 0.00 64.86 66.22 2ee8 h ILE 67 Cb 0.32 0.79 -0.04 0.00 -0.27 0.00 0.00 36.82 37.62 2ee8 h ILE 67 CO -0.14 0.00 0.03 -1.00 -1.05 0.00 0.00 178.15 175.99 2ee8 s HIS 68 N -4.48 3.81 1.39 0.16 3.76 0.03 -5.06 115.29 114.89 2ee8 s HIS 68 Ca -0.04 1.35 -0.21 0.00 -0.15 0.00 0.00 55.06 56.00 2ee8 s HIS 68 Cb 0.14 -2.59 0.35 0.00 1.11 0.00 0.00 32.58 31.59 2ee8 s HIS 68 CO 0.48 0.52 0.85 0.43 -0.85 0.00 0.00 174.74 176.17 2ee8 n SER 69 N 1.92 -3.61 -3.13 1.40 7.64 -1.26 -4.99 113.62 111.58 2ee8 n SER 69 Ca -0.08 -0.69 -0.19 0.00 1.01 0.00 0.00 58.87 58.92 2ee8 n SER 69 Cb 0.50 -1.04 0.18 0.00 -1.01 0.00 0.00 64.21 62.84 2ee8 n SER 69 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ee8 n LYS 70 N -5.34 -3.59 -1.68 1.43 5.02 -1.26 -4.84 118.16 107.90 2ee8 n LYS 70 Ca 0.10 -0.91 -0.46 0.00 -2.02 0.00 0.00 58.31 55.03 2ee8 n LYS 70 Cb 0.57 -1.14 -0.04 0.00 -0.02 0.00 0.00 35.03 34.41 2ee8 n LYS 70 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2ee8 n GLU 71 N -4.23 2.36 -2.13 1.97 0.28 -1.26 -4.90 120.64 112.72 2ee8 n GLU 71 Ca 0.09 0.86 -0.42 0.00 -0.16 0.00 0.00 57.16 57.52 2ee8 n GLU 71 Cb 0.37 -2.69 -0.03 0.00 1.43 0.00 0.00 31.44 30.52 2ee8 n GLU 71 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2ee8 s LYS 72 N 2.47 4.28 0.53 3.44 2.20 -1.26 -4.90 119.74 126.50 2ee8 s LYS 72 Ca 0.84 2.11 0.33 0.00 -0.36 0.00 0.00 55.97 58.89 2ee8 s LYS 72 Cb -0.62 -3.37 1.38 0.00 -1.51 0.00 0.00 37.83 33.71 2ee8 s LYS 72 CO 0.42 -0.53 1.98 -1.00 -0.36 0.00 0.00 175.35 175.86 2ee8 h PRO 73 N 7.29 0.00 -0.94 4.03 0.13 -1.99 -2.89 132.00 137.64 2ee8 h PRO 73 Ca -0.41 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.17 2ee8 h PRO 73 Cb 1.20 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.04 2ee8 h PRO 73 CO 0.89 0.00 0.62 1.19 -0.23 0.00 0.00 178.00 180.47 2ee8 n PHE 74 N -3.02 2.96 -4.34 1.56 3.01 -1.26 -4.93 117.46 111.43 2ee8 n PHE 74 Ca 0.01 -2.25 -0.20 0.00 1.01 0.00 0.00 57.45 56.02 2ee8 n PHE 74 Cb 0.29 -1.07 -0.13 0.00 -0.01 0.00 0.00 39.48 38.56 2ee8 n PHE 74 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2ee8 s LYS 75 N -3.49 0.93 0.66 -1.08 1.02 -1.09 -5.00 119.74 111.70 2ee8 s LYS 75 Ca 0.58 -0.78 -0.18 0.00 0.02 0.00 0.00 55.97 55.62 2ee8 s LYS 75 Cb 0.48 -0.95 -0.14 0.00 -0.52 0.00 0.00 37.83 36.71 2ee8 s LYS 75 CO 0.06 0.23 -0.23 0.00 -0.92 0.00 0.00 175.35 174.49 2ee8 n GLN 77 N 1.50 0.67 0.00 0.00 10.64 -1.26 -3.20 117.38 125.73 2ee8 n GLN 77 Ca 0.06 0.18 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 2ee8 n GLN 77 Cb 0.50 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2ee8 n GLU 78 N -3.34 0.00 -0.02 2.61 -0.58 -1.26 -4.28 120.64 113.77 2ee8 n GLU 78 Ca -0.44 0.31 -0.10 0.00 -0.42 0.00 0.00 57.16 56.52 2ee8 n GLU 78 Cb 0.99 -1.28 -0.14 0.00 -0.57 0.00 0.00 31.44 30.44 2ee8 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ee8 n GLY 80 N 1.60 -0.70 2.52 0.00 0.00 -1.19 -5.01 105.19 102.41 2ee8 n GLY 80 Ca -0.18 0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 2ee8 n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ee8 n LYS 81 N -3.85 -0.42 -3.49 1.61 2.85 -1.26 -4.83 118.16 108.77 2ee8 n LYS 81 Ca -0.19 -1.53 -0.42 0.00 -1.05 0.00 0.00 58.31 55.12 2ee8 n LYS 81 Cb 0.65 -0.69 -0.04 0.00 -0.65 0.00 0.00 35.03 34.29 2ee8 n LYS 81 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2ee8 s GLY 82 N -4.57 2.82 1.13 2.58 0.00 -1.26 -4.50 107.32 103.51 2ee8 s GLY 82 Ca 0.47 -3.52 -0.17 0.00 0.00 0.00 0.00 44.72 41.49 2ee8 s GLY 82 CO 0.32 1.22 1.12 -1.36 0.00 0.00 0.00 173.10 174.40 2ee8 s PHE 83 N -0.49 1.05 -0.21 1.90 0.08 -1.26 -5.03 117.98 114.02 2ee8 s PHE 83 Ca 0.22 0.61 -0.13 0.00 0.12 0.00 0.00 56.93 57.76 2ee8 s PHE 83 Cb -0.12 -3.45 -0.09 0.00 -0.57 0.00 0.00 43.02 38.79 2ee8 s PHE 83 CO -0.08 -3.50 -0.30 0.00 -0.10 0.00 0.00 175.22 171.24 2ee8 s GLN 85 N -2.54 2.77 -0.13 0.00 -0.21 -1.26 -5.06 119.66 113.23 2ee8 s GLN 85 Ca -0.30 -1.27 -0.25 0.00 0.02 0.00 0.00 55.36 53.56 2ee8 s GLN 85 Cb 0.10 -2.52 -0.26 0.00 1.00 0.00 0.00 33.01 31.33 2ee8 s GLN 85 CO 0.40 0.08 0.67 0.66 -2.12 0.00 0.00 175.29 174.98 2ee8 h SER 86 N 1.19 0.13 -0.89 5.90 4.64 -1.96 -3.33 113.55 119.22 2ee8 h SER 86 Ca -0.45 -0.89 0.23 0.00 -0.47 0.00 0.00 61.79 60.22 2ee8 h SER 86 Cb 1.25 -0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 63.15 2ee8 h SER 86 CO 0.58 1.23 0.08 -0.09 -0.87 0.00 0.00 176.83 177.76 2ee8 h ARG 87 N -0.81 0.09 0.41 4.77 9.65 -2.01 -1.30 114.38 125.19 2ee8 h ARG 87 Ca -0.12 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 2ee8 h ARG 87 Cb 1.26 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 2ee8 h ARG 87 CO -0.00 0.06 -0.37 1.15 2.80 0.00 0.00 179.97 183.60 2ee8 h THR 88 N 0.09 0.00 -0.84 0.20 2.02 -2.00 -2.21 112.91 110.16 2ee8 h THR 88 Ca 0.54 0.00 0.35 0.00 0.77 0.00 0.00 66.41 68.07 2ee8 h THR 88 Cb 1.07 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.33 2ee8 h THR 88 CO -0.78 0.00 0.46 -0.11 0.37 0.00 0.00 175.52 175.46 2ee8 n LEU 89 N -4.68 0.29 -0.17 2.58 7.94 -0.51 0.23 117.00 122.69 2ee8 n LEU 89 Ca -0.09 1.40 -0.09 0.00 -1.11 0.00 0.00 56.01 56.12 2ee8 n LEU 89 Cb 0.35 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2ee8 n LEU 89 CO 0.21 -1.57 0.87 0.00 -1.11 0.00 0.00 177.39 175.79 2ee8 h ALA 90 N 1.69 0.63 0.04 1.96 0.00 -1.16 -2.54 119.26 119.88 2ee8 h ALA 90 Ca 0.72 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 2ee8 h ALA 90 Cb 1.90 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2ee8 h ALA 90 CO -0.65 0.34 -0.02 0.28 0.00 0.00 0.00 179.25 179.20 2ee8 h VAL 91 N 0.66 1.34 -0.88 0.00 2.07 0.32 -3.28 116.25 116.48 2ee8 h VAL 91 Ca 0.15 -1.46 0.23 0.00 0.82 0.00 0.00 66.70 66.44 2ee8 h VAL 91 Cb 0.35 2.28 -0.14 0.00 -1.52 0.00 0.00 31.29 32.26 2ee8 h VAL 91 CO 0.00 0.36 0.29 -0.74 0.02 0.00 0.00 177.57 177.50 2ee8 h HIS 92 N -0.73 0.44 -1.69 1.57 6.17 -0.60 0.19 115.15 120.50 2ee8 h HIS 92 Ca -0.01 0.05 0.50 0.00 0.71 0.00 0.00 60.37 61.62 2ee8 h HIS 92 Cb 0.63 -0.05 -0.08 0.00 2.52 0.00 0.00 27.41 30.43 2ee8 h HIS 92 CO 0.14 -0.17 1.21 1.63 0.71 0.00 0.00 177.93 181.45 2ee8 n LYS 93 N -5.18 -0.00 -0.03 5.26 4.76 -0.96 0.12 118.16 122.12 2ee8 n LYS 93 Ca 0.22 0.97 -0.12 0.00 -2.87 0.00 0.00 58.31 56.50 2ee8 n LYS 93 Cb 0.69 -2.20 -0.10 0.00 -1.84 0.00 0.00 35.03 31.58 2ee8 n LYS 93 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2ee8 h THR 94 N 0.00 1.40 -0.77 -0.18 1.35 -0.82 -3.31 112.91 110.58 2ee8 h THR 94 Ca 0.82 -1.75 0.28 0.00 -0.55 0.00 0.00 66.41 65.21 2ee8 h THR 94 Cb 3.25 2.51 -0.14 0.00 -1.73 0.00 0.00 68.15 72.04 2ee8 h THR 94 CO -0.05 0.42 0.24 0.18 -0.25 0.00 0.00 175.52 176.06 2ee8 n LEU 95 N -4.74 0.11 0.28 3.87 4.77 0.32 -0.18 117.00 121.44 2ee8 n LEU 95 Ca -0.09 1.30 -0.12 0.00 -0.03 0.00 0.00 56.01 57.07 2ee8 n LEU 95 Cb 0.35 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 2ee8 n LEU 95 CO 0.30 -1.39 0.52 0.45 -1.33 0.00 0.00 177.39 175.94 2ee8 h HIS 96 N 0.00 -0.75 -3.28 -1.77 3.86 -1.62 -3.42 115.15 108.17 2ee8 h HIS 96 Ca 0.57 -0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 59.24 2ee8 h HIS 96 Cb 1.40 0.26 0.07 0.00 1.06 0.00 0.00 27.41 30.19 2ee8 h HIS 96 CO -0.18 -0.44 0.83 0.00 0.86 0.00 0.00 177.93 179.00 2ee8 s MET 97 N -4.70 4.20 0.52 2.45 0.23 0.75 -4.93 119.30 117.82 2ee8 s MET 97 Ca -0.11 2.43 -0.20 0.00 -1.03 0.00 0.00 55.69 56.77 2ee8 s MET 97 Cb 0.01 -3.08 -0.08 0.00 -1.53 0.00 0.00 34.83 30.16 2ee8 s MET 97 CO 0.35 -0.54 0.84 0.94 -2.03 0.00 0.00 175.02 174.58 2ee8 n GLN 98 N 2.49 0.92 -3.26 3.16 7.27 -1.26 -4.90 117.38 121.81 2ee8 n GLN 98 Ca 0.08 0.35 -0.41 0.00 0.07 0.00 0.00 57.00 57.09 2ee8 n GLN 98 Cb 0.39 -1.97 -0.08 0.00 2.41 0.00 0.00 30.24 30.99 2ee8 n GLN 98 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2ee8 s THR 99 N -1.49 5.04 0.20 1.69 -4.23 -1.26 -4.95 115.64 110.65 2ee8 s THR 99 Ca 0.69 0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 61.63 2ee8 s THR 99 Cb -0.48 -3.91 -0.03 0.00 1.34 0.00 0.00 72.50 69.42 2ee8 s THR 99 CO 0.53 -0.12 1.55 0.77 -0.54 0.00 0.00 174.62 176.80 2ee8 h SER 100 N 8.35 0.64 -5.03 3.99 4.64 -2.02 -3.46 113.55 120.67 2ee8 h SER 100 Ca -0.28 -0.31 -0.09 0.00 -0.47 0.00 0.00 61.79 60.64 2ee8 h SER 100 Cb 1.13 -0.18 -0.18 0.00 -0.31 0.00 0.00 62.40 62.86 2ee8 h SER 100 CO 0.75 1.00 -0.16 -0.44 -0.87 0.00 0.00 176.83 177.12 2ee8 s SER 101 N -6.88 -0.25 -0.94 4.97 0.01 -1.26 -5.09 113.70 104.26 2ee8 s SER 101 Ca -0.08 0.03 -0.24 0.00 1.31 0.00 0.00 55.95 56.97 2ee8 s SER 101 Cb 0.12 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.69 2ee8 s SER 101 CO 0.84 -0.60 1.94 -2.16 0.41 0.00 0.00 173.24 173.67 2ee8 s PRO 102 N -2.11 2.55 0.24 12.44 0.04 -1.26 -4.93 135.00 141.97 2ee8 s PRO 102 Ca -0.08 -0.41 -0.25 0.00 0.04 0.00 0.00 61.00 60.31 2ee8 s PRO 102 Cb -0.02 -5.09 -0.16 0.00 0.04 0.00 0.00 34.50 29.28 2ee8 s PRO 102 CO -0.00 -3.46 0.37 -2.37 0.04 0.00 0.00 177.00 171.59 2ee8 n THR 103 N 7.87 1.53 -3.62 1.26 5.66 -1.26 -4.98 114.28 120.74 2ee8 n THR 103 Ca 0.41 -0.47 -0.16 0.00 -3.05 0.00 0.00 64.05 60.78 2ee8 n THR 103 Cb 0.47 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.18 2ee8 n THR 103 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ee8 s ALA 104 N -1.13 -1.43 0.30 1.79 0.00 -1.26 -5.18 121.76 114.85 2ee8 s ALA 104 Ca 0.59 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.68 2ee8 s ALA 104 Cb -0.80 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 2ee8 s ALA 104 CO 0.55 -0.32 0.17 0.00 0.00 0.00 0.00 175.76 176.16 2ee8 s ALA 105 N -0.95 1.86 0.00 0.00 0.00 -1.26 -5.30 121.76 116.11 2ee8 s ALA 105 Ca -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.07 2ee8 s ALA 105 Cb -0.02 1.23 0.00 0.00 0.00 0.00 0.00 23.12 24.33 2ee8 s ALA 105 CO 0.07 -0.54 0.44 0.45 0.00 0.00 0.00 175.76 176.18