#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee8 s SER 2 N 0.00 -0.09 -0.21 1.61 1.04 -1.26 -5.07 113.70 109.72 2ee8 s SER 2 Ca 0.00 -0.64 0.07 0.00 0.48 0.00 0.00 55.95 55.86 2ee8 s SER 2 Cb 0.00 0.48 -0.18 0.00 0.10 0.00 0.00 66.02 66.42 2ee8 s SER 2 CO 0.00 -0.93 -0.10 -1.54 0.98 0.00 0.00 173.24 171.65 2ee8 n SER 3 N -0.24 1.54 -3.20 7.02 3.41 -1.26 -5.06 113.62 115.83 2ee8 n SER 3 Ca -0.10 -0.08 -0.05 0.00 -0.26 0.00 0.00 58.87 58.38 2ee8 n SER 3 Cb 0.63 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 2ee8 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ee8 n GLY 4 N 2.19 -1.25 3.20 5.00 0.00 -1.26 -5.03 105.19 108.05 2ee8 n GLY 4 Ca -0.37 0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2ee8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ee8 s SER 5 N -3.01 2.34 -0.24 1.61 0.15 -1.26 -5.13 113.70 108.17 2ee8 s SER 5 Ca 0.01 -0.36 -0.18 0.00 0.70 0.00 0.00 55.95 56.12 2ee8 s SER 5 Cb -0.00 -0.29 0.07 0.00 -1.71 0.00 0.00 66.02 64.08 2ee8 s SER 5 CO 0.78 0.24 0.61 -0.55 1.20 0.00 0.00 173.24 175.52 2ee8 s SER 6 N -0.43 -0.73 0.25 5.45 0.15 -1.26 -5.17 113.70 111.95 2ee8 s SER 6 Ca 0.07 1.28 0.12 0.00 0.70 0.00 0.00 55.95 58.12 2ee8 s SER 6 Cb -0.08 1.23 -0.05 0.00 -1.71 0.00 0.00 66.02 65.41 2ee8 s SER 6 CO -0.01 -0.22 -0.21 -0.83 1.20 0.00 0.00 173.24 173.17 2ee8 s GLY 7 N 0.93 1.82 0.00 9.45 0.00 -1.26 -5.11 107.32 113.15 2ee8 s GLY 7 Ca -0.05 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.89 2ee8 s GLY 7 CO -0.08 -1.85 0.00 0.61 0.00 0.00 0.00 173.10 171.78 2ee8 n GLY 8 N -0.30 4.08 2.93 0.20 0.00 -1.26 -5.13 105.19 105.71 2ee8 n GLY 8 Ca -0.08 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2ee8 n GLY 8 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ee8 s ARG 9 N 3.14 1.57 -0.01 1.61 1.70 -1.26 -5.11 118.95 120.60 2ee8 s ARG 9 Ca 0.00 -1.02 -0.05 0.00 -0.47 0.00 0.00 55.73 54.19 2ee8 s ARG 9 Cb 0.00 -2.58 0.00 0.00 -0.57 0.00 0.00 34.95 31.80 2ee8 s ARG 9 CO 0.00 -0.62 0.10 -0.51 -1.08 0.00 0.00 175.30 173.19 2ee8 s LEU 10 N 1.39 1.68 0.00 -1.89 1.43 -1.26 -5.17 118.68 114.87 2ee8 s LEU 10 Ca -0.05 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2ee8 s LEU 10 Cb -0.19 0.49 0.00 0.00 0.03 0.00 0.00 46.19 46.52 2ee8 s LEU 10 CO -0.07 -0.27 0.00 -0.81 0.23 0.00 0.00 176.35 175.44 2ee8 n PRO 11 N 1.91 0.08 -0.13 1.29 -0.04 -1.26 -5.04 135.00 131.81 2ee8 n PRO 11 Ca -0.20 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.98 2ee8 n PRO 11 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 2ee8 n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ee8 n SER 12 N -1.37 1.93 -4.39 3.54 3.41 -1.26 -4.98 113.62 110.51 2ee8 n SER 12 Ca 0.00 0.36 -0.41 0.00 -0.26 0.00 0.00 58.87 58.56 2ee8 n SER 12 Cb 0.00 -0.86 0.01 0.00 -0.26 0.00 0.00 64.21 63.10 2ee8 n SER 12 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ee8 n LYS 13 N -4.30 0.33 -4.65 4.33 5.02 -1.26 -4.98 118.16 112.65 2ee8 n LYS 13 Ca -0.49 0.12 -0.27 0.00 -2.02 0.00 0.00 58.31 55.65 2ee8 n LYS 13 Cb 0.83 -1.34 -0.17 0.00 -0.02 0.00 0.00 35.03 34.34 2ee8 n LYS 13 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2ee8 s THR 14 N -1.64 1.44 -0.11 -0.18 -1.32 -1.26 -5.13 115.64 107.44 2ee8 s THR 14 Ca 0.62 -0.63 -0.19 0.00 -1.21 0.00 0.00 61.69 60.28 2ee8 s THR 14 Cb -0.57 -1.29 0.04 0.00 -1.51 0.00 0.00 72.50 69.17 2ee8 s THR 14 CO 0.60 0.42 0.46 -0.75 -2.21 0.00 0.00 174.62 173.14 2ee8 s LYS 15 N 0.73 0.68 -0.00 7.08 2.20 -1.26 -5.17 119.74 124.00 2ee8 s LYS 15 Ca -0.12 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 2ee8 s LYS 15 Cb -0.16 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2ee8 s LYS 15 CO 0.03 -0.15 0.00 -1.59 -0.36 0.00 0.00 175.35 173.28 2ee8 s LYS 16 N -0.47 0.01 0.14 4.03 -2.85 -1.26 -5.16 119.74 114.18 2ee8 s LYS 16 Ca -0.06 0.02 0.01 0.00 -1.00 0.00 0.00 55.97 54.94 2ee8 s LYS 16 Cb -0.03 -0.04 -0.04 0.00 -2.06 0.00 0.00 37.83 35.65 2ee8 s LYS 16 CO 0.03 -0.02 -0.01 -1.83 0.10 0.00 0.00 175.35 173.62 2ee8 s GLU 17 N 0.14 0.98 0.22 1.78 -1.05 -1.26 -5.01 118.70 114.51 2ee8 s GLU 17 Ca -0.01 -1.45 0.10 0.00 -0.15 0.00 0.00 54.97 53.46 2ee8 s GLU 17 Cb -0.02 -0.15 -0.05 0.00 -0.44 0.00 0.00 34.13 33.47 2ee8 s GLU 17 CO -0.00 -0.12 -0.18 -0.06 0.95 0.00 0.00 175.26 175.85 2ee8 s PHE 18 N -3.72 2.01 -0.01 4.83 0.08 -1.26 -5.08 117.98 114.83 2ee8 s PHE 18 Ca 0.20 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 56.80 2ee8 s PHE 18 Cb 0.06 -0.92 0.01 0.00 -0.57 0.00 0.00 43.02 41.60 2ee8 s PHE 18 CO 0.01 0.50 0.02 0.42 -0.10 0.00 0.00 175.22 176.07 2ee8 s ILE 19 N -2.49 -0.02 1.04 0.64 1.01 -1.26 -3.03 121.20 117.08 2ee8 s ILE 19 Ca 0.24 0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.79 2ee8 s ILE 19 Cb -0.04 -0.05 0.05 0.00 0.01 0.00 0.00 42.46 42.43 2ee8 s ILE 19 CO 0.10 0.03 0.05 0.00 0.00 0.00 0.00 174.94 175.11 2ee8 n LYS 21 N -1.43 3.15 0.10 0.00 2.85 -1.26 -3.80 118.16 117.77 2ee8 n LYS 21 Ca 0.03 -0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.18 2ee8 n LYS 21 Cb 0.59 -1.11 -0.07 0.00 -0.65 0.00 0.00 35.03 33.78 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 -0.29 0.00 5.58 0.04 -2.01 -3.39 116.94 116.86 2ee8 h PHE 22 Ca -0.12 -0.01 -0.28 0.00 2.80 0.00 0.00 57.97 60.36 2ee8 h PHE 22 Cb 1.27 0.10 -0.05 0.00 2.20 0.00 0.00 35.95 39.47 2ee8 h PHE 22 CO 0.00 0.09 -2.07 0.00 -0.60 0.00 0.00 178.31 175.73 2ee8 n GLY 24 N 2.30 -0.53 3.02 0.00 0.00 -1.25 -5.04 105.19 103.69 2ee8 n GLY 24 Ca -0.29 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.83 0.75 0.18 1.61 3.52 -1.26 -4.83 118.95 118.09 2ee8 s ARG 25 Ca 0.00 -0.32 -0.23 0.00 -0.13 0.00 0.00 55.73 55.05 2ee8 s ARG 25 Cb 0.00 -0.72 -0.08 0.00 -1.56 0.00 0.00 34.95 32.59 2ee8 s ARG 25 CO 0.00 0.18 0.74 -1.01 -0.81 0.00 0.00 175.30 174.41 2ee8 s HIS 26 N -0.17 3.80 -0.04 5.12 3.76 -1.26 -1.70 115.29 124.80 2ee8 s HIS 26 Ca 0.03 1.52 0.03 0.00 -0.15 0.00 0.00 55.06 56.48 2ee8 s HIS 26 Cb -0.04 -2.69 0.00 0.00 1.11 0.00 0.00 32.58 30.96 2ee8 s HIS 26 CO -0.00 0.45 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.16 2ee8 s PHE 27 N -1.29 1.31 0.34 1.40 0.40 -1.17 -5.02 117.98 113.95 2ee8 s PHE 27 Ca 0.38 -0.39 0.10 0.00 -0.60 0.00 0.00 56.93 56.42 2ee8 s PHE 27 Cb -0.20 -0.93 0.63 0.00 0.51 0.00 0.00 43.02 43.02 2ee8 s PHE 27 CO 0.23 -0.17 1.79 1.79 0.70 0.00 0.00 175.22 179.56 2ee8 h THR 28 N 5.54 1.28 -3.27 0.64 1.35 -1.98 -3.40 112.91 113.08 2ee8 h THR 28 Ca -0.33 -1.35 -0.52 0.00 -0.55 0.00 0.00 66.41 63.67 2ee8 h THR 28 Cb 1.18 1.67 -0.36 0.00 -1.73 0.00 0.00 68.15 68.91 2ee8 h THR 28 CO 0.48 0.39 -0.81 -1.59 -0.25 0.00 0.00 175.52 173.75 2ee8 s LYS 29 N -4.20 1.59 0.45 4.72 -2.85 -1.26 -5.01 119.74 113.19 2ee8 s LYS 29 Ca -0.03 -0.32 0.33 0.00 -1.00 0.00 0.00 55.97 54.95 2ee8 s LYS 29 Cb 0.14 -1.52 1.48 0.00 -2.06 0.00 0.00 37.83 35.87 2ee8 s LYS 29 CO 0.74 -0.16 1.60 0.66 0.10 0.00 0.00 175.35 178.30 2ee8 h SER 30 N 7.71 0.21 -0.03 0.03 4.64 -1.95 0.52 113.55 124.67 2ee8 h SER 30 Ca -0.31 0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.16 2ee8 h SER 30 Cb 1.15 0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 2ee8 h SER 30 CO 0.44 -0.20 -0.08 0.22 -0.87 0.00 0.00 176.83 176.34 2ee8 h TYR 31 N 0.05 -0.20 -0.84 4.77 5.03 -1.97 -1.72 116.97 122.09 2ee8 h TYR 31 Ca 0.85 0.01 0.18 0.00 2.58 0.00 0.00 58.73 62.35 2ee8 h TYR 31 Cb 2.77 0.10 -0.06 0.00 1.55 0.00 0.00 36.73 41.08 2ee8 h TYR 31 CO -0.01 -0.13 0.56 -0.97 -1.32 0.00 0.00 178.16 176.30 2ee8 h ASN 32 N -0.13 0.39 0.02 -2.11 -0.73 -0.37 -1.16 115.58 111.49 2ee8 h ASN 32 Ca 0.04 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.24 2ee8 h ASN 32 Cb 0.19 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.73 2ee8 h ASN 32 CO -0.10 0.18 -0.01 0.25 -0.37 0.00 0.00 177.43 177.37 2ee8 h LEU 33 N 0.40 -0.03 -0.94 0.34 5.85 -1.22 -2.64 115.31 117.08 2ee8 h LEU 33 Ca 0.43 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2ee8 h LEU 33 Cb 1.05 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 2ee8 h LEU 33 CO -0.15 0.27 0.61 0.17 -0.34 0.00 0.00 178.44 179.01 2ee8 h LEU 34 N -0.33 1.00 -2.13 2.25 8.10 -0.74 0.13 115.31 123.60 2ee8 h LEU 34 Ca -0.00 -0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 2ee8 h LEU 34 Cb 0.31 -0.22 -0.00 0.00 -0.44 0.00 0.00 40.66 40.31 2ee8 h LEU 34 CO 0.01 0.68 -0.07 0.40 -4.11 0.00 0.00 178.44 175.34 2ee8 h ILE 35 N 1.16 0.49 0.14 0.15 2.04 -1.19 -2.75 117.51 117.56 2ee8 h ILE 35 Ca 0.38 -0.35 -0.36 0.00 1.00 0.00 0.00 64.86 65.53 2ee8 h ILE 35 Cb 0.04 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2ee8 h ILE 35 CO -0.13 0.07 -1.91 -0.74 0.00 0.00 0.00 178.15 175.44 2ee8 h HIS 36 N 0.00 0.55 -1.47 1.37 2.76 -0.71 -3.35 115.15 114.30 2ee8 h HIS 36 Ca -0.00 -0.40 0.44 0.00 -2.20 0.00 0.00 60.37 58.21 2ee8 h HIS 36 Cb 0.23 -0.02 -0.09 0.00 1.55 0.00 0.00 27.41 29.07 2ee8 h HIS 36 CO 0.00 1.75 1.01 0.93 -1.30 0.00 0.00 177.93 180.33 2ee8 h GLU 37 N 0.06 0.07 -0.56 5.26 5.08 -0.50 0.41 114.58 124.40 2ee8 h GLU 37 Ca -0.40 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.05 2ee8 h GLU 37 Cb 2.04 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 31.20 2ee8 h GLU 37 CO 0.11 0.04 0.15 0.00 -1.00 0.00 0.00 179.01 178.32 2ee8 h ARG 38 N 0.07 0.29 0.00 2.33 3.08 -1.70 0.16 114.38 118.62 2ee8 h ARG 38 Ca 0.78 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.81 2ee8 h ARG 38 Cb 2.78 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.77 2ee8 h ARG 38 CO -0.19 0.20 0.47 1.79 -1.07 0.00 0.00 179.97 181.16 2ee8 h THR 39 N 0.30 0.00 -2.50 2.04 1.35 -0.41 -2.49 112.91 111.20 2ee8 h THR 39 Ca 0.29 0.00 -0.77 0.00 -0.55 0.00 0.00 66.41 65.38 2ee8 h THR 39 Cb 0.39 0.52 -0.30 0.00 -1.73 0.00 0.00 68.15 67.02 2ee8 h THR 39 CO -0.34 0.00 0.65 1.41 -0.25 0.00 0.00 175.52 176.99 2ee8 n HIS 40 N -2.77 2.76 0.00 4.73 8.25 0.56 -4.52 115.22 124.23 2ee8 n HIS 40 Ca -0.02 -2.83 0.00 0.00 -0.26 0.00 0.00 57.72 54.61 2ee8 n HIS 40 Cb 0.50 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.51 2ee8 n HIS 40 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2ee8 n THR 41 N 0.51 0.00 -3.64 1.59 -2.24 -0.94 -5.04 114.28 104.52 2ee8 n THR 41 Ca 0.36 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 62.07 2ee8 n THR 41 Cb 0.31 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.66 2ee8 n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ee8 s ASP 42 N -4.82 -0.69 -0.21 3.42 -1.08 -1.26 -5.04 116.67 106.99 2ee8 s ASP 42 Ca 0.00 1.17 0.11 0.00 -0.52 0.00 0.00 52.55 53.31 2ee8 s ASP 42 Cb 0.00 1.25 0.42 0.00 -1.46 0.00 0.00 42.92 43.13 2ee8 s ASP 42 CO 0.00 -0.19 1.22 -0.62 0.52 0.00 0.00 175.17 176.10 2ee8 n GLU 43 N 3.49 1.58 -4.09 4.34 1.02 -1.26 -4.99 120.64 120.74 2ee8 n GLU 43 Ca -0.17 -3.27 -0.30 0.00 -0.02 0.00 0.00 57.16 53.40 2ee8 n GLU 43 Cb 0.57 -1.62 -0.17 0.00 -0.02 0.00 0.00 31.44 30.21 2ee8 n GLU 43 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ee8 s ARG 44 N -3.22 2.26 0.07 3.49 3.00 -1.26 -5.02 118.95 118.27 2ee8 s ARG 44 Ca 0.38 -0.55 -0.17 0.00 0.00 0.00 0.00 55.73 55.39 2ee8 s ARG 44 Cb 0.37 -2.05 -0.11 0.00 0.00 0.00 0.00 34.95 33.15 2ee8 s ARG 44 CO -0.06 -0.21 1.39 -1.00 0.00 0.00 0.00 175.30 175.42 2ee8 h PRO 45 N 7.95 0.56 -5.92 3.54 0.13 -1.94 -3.42 132.00 132.90 2ee8 h PRO 45 Ca -0.37 -0.29 -0.54 0.00 -0.87 0.00 0.00 66.00 63.93 2ee8 h PRO 45 Cb 1.14 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2ee8 h PRO 45 CO 0.52 0.88 1.49 0.71 -0.23 0.00 0.00 178.00 181.37 2ee8 s TYR 46 N -4.34 1.27 -0.03 1.56 1.51 -1.26 -4.94 117.35 111.11 2ee8 s TYR 46 Ca -0.13 0.89 0.02 0.00 -1.01 0.00 0.00 57.07 56.84 2ee8 s TYR 46 Cb 0.07 -3.86 0.01 0.00 -0.11 0.00 0.00 41.96 38.07 2ee8 s TYR 46 CO 0.80 -3.31 -0.07 0.99 -1.11 0.00 0.00 175.55 172.84 2ee8 s THR 47 N 9.36 0.68 1.22 -0.71 2.01 -1.26 -3.19 115.64 123.75 2ee8 s THR 47 Ca 0.94 -0.29 -0.19 0.00 0.31 0.00 0.00 61.69 62.46 2ee8 s THR 47 Cb -0.25 -0.62 0.29 0.00 0.01 0.00 0.00 72.50 71.93 2ee8 s THR 47 CO 0.31 0.22 1.07 0.00 -0.69 0.00 0.00 174.62 175.54 2ee8 n ASP 49 N -4.87 1.00 0.00 0.00 9.92 -1.26 -4.18 116.55 117.16 2ee8 n ASP 49 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 2ee8 n ASP 49 Cb 0.59 1.56 0.00 0.00 -0.64 0.00 0.00 41.12 42.63 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ee8 n ILE 50 N -2.24 0.00 1.25 0.53 5.41 -1.26 -4.67 119.36 118.39 2ee8 n ILE 50 Ca -0.09 0.22 0.10 0.00 1.00 0.00 0.00 62.75 63.98 2ee8 n ILE 50 Cb 0.61 -1.21 0.60 0.00 -0.71 0.00 0.00 39.64 38.93 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 -1.02 -0.94 -2.21 0.00 8.25 -1.26 -4.88 115.22 113.16 2ee8 n HIS 52 Ca 0.15 0.49 -0.26 0.00 -0.26 0.00 0.00 57.72 57.84 2ee8 n HIS 52 Cb 0.08 -1.92 0.09 0.00 1.12 0.00 0.00 29.99 29.35 2ee8 n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2ee8 s LYS 53 N -6.19 1.96 -0.10 -0.41 1.02 -1.26 -4.60 119.74 110.16 2ee8 s LYS 53 Ca 0.20 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.87 2ee8 s LYS 53 Cb -0.12 -2.15 -0.00 0.00 -0.52 0.00 0.00 37.83 35.04 2ee8 s LYS 53 CO 0.77 -1.40 -0.22 0.00 -0.92 0.00 0.00 175.35 173.58 2ee8 s ALA 54 N -3.31 2.26 0.21 5.17 0.00 -1.26 -2.14 121.76 122.68 2ee8 s ALA 54 Ca 0.62 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.69 2ee8 s ALA 54 Cb -0.09 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 2ee8 s ALA 54 CO 0.46 0.31 -0.13 -0.06 0.00 0.00 0.00 175.76 176.34 2ee8 s PHE 55 N 0.25 1.70 -0.11 0.00 0.40 -1.19 -5.06 117.98 113.97 2ee8 s PHE 55 Ca -0.15 -0.61 -0.27 0.00 -0.60 0.00 0.00 56.93 55.30 2ee8 s PHE 55 Cb -0.17 -0.82 -0.27 0.00 0.51 0.00 0.00 43.02 42.27 2ee8 s PHE 55 CO 0.08 0.32 0.83 -0.09 0.70 0.00 0.00 175.22 177.05 2ee8 h ARG 56 N 2.54 0.09 -6.30 0.44 2.43 -2.00 -3.41 114.38 108.16 2ee8 h ARG 56 Ca -0.38 -0.14 -0.67 0.00 -0.81 0.00 0.00 59.98 57.98 2ee8 h ARG 56 Cb 1.22 0.05 -0.16 0.00 -0.42 0.00 0.00 29.97 30.66 2ee8 h ARG 56 CO 0.63 1.05 -0.70 1.03 -1.51 0.00 0.00 179.97 180.47 2ee8 s ARG 57 N -2.36 2.54 0.51 0.20 1.81 -1.26 -4.97 118.95 115.42 2ee8 s ARG 57 Ca -0.17 -0.74 0.30 0.00 -1.72 0.00 0.00 55.73 53.39 2ee8 s ARG 57 Cb -0.02 -2.51 1.10 0.00 -0.45 0.00 0.00 34.95 33.08 2ee8 s ARG 57 CO 0.73 0.59 1.89 -0.56 -0.68 0.00 0.00 175.30 177.27 2ee8 h GLN 58 N 4.37 0.00 0.42 3.54 -0.00 -1.99 -3.10 115.11 118.35 2ee8 h GLN 58 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.15 2ee8 h GLN 58 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 2ee8 h GLN 58 CO 0.54 0.04 -0.20 0.22 -0.00 0.00 0.00 178.83 179.44 2ee8 h ASP 59 N 0.00 -0.48 0.14 0.06 1.82 -1.99 0.20 116.42 116.16 2ee8 h ASP 59 Ca -0.00 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.52 2ee8 h ASP 59 Cb 0.65 0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.78 2ee8 h ASP 59 CO 0.01 -0.17 -0.10 0.45 -1.61 0.00 0.00 179.24 177.82 2ee8 h HIS 60 N -0.81 0.00 0.00 0.28 -0.00 -1.99 -2.84 115.15 109.79 2ee8 h HIS 60 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2ee8 h HIS 60 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 2ee8 h HIS 60 CO 0.00 0.10 -0.00 1.25 -0.00 0.00 0.00 177.93 179.28 2ee8 h LEU 61 N 0.00 -0.01 -0.35 2.43 5.85 -1.44 -1.47 115.31 120.32 2ee8 h LEU 61 Ca -0.00 -0.76 0.06 0.00 0.84 0.00 0.00 57.88 58.02 2ee8 h LEU 61 Cb 0.20 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 2ee8 h LEU 61 CO 0.01 0.77 -0.42 -0.09 -0.34 0.00 0.00 178.44 178.37 2ee8 h ARG 62 N -0.79 -0.34 -0.38 1.25 2.43 -0.38 -0.80 114.38 115.37 2ee8 h ARG 62 Ca -0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2ee8 h ARG 62 Cb 0.77 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2ee8 h ARG 62 CO 0.00 -0.23 -0.19 0.22 -1.51 0.00 0.00 179.97 178.26 2ee8 h ASP 63 N -0.36 0.73 -0.98 -3.80 1.82 -1.63 -2.79 116.42 109.40 2ee8 h ASP 63 Ca 0.13 -0.25 0.27 0.00 -0.39 0.00 0.00 57.03 56.79 2ee8 h ASP 63 Cb 0.59 -0.20 -0.05 0.00 0.68 0.00 0.00 39.33 40.35 2ee8 h ASP 63 CO -0.53 0.92 0.69 -0.74 -1.61 0.00 0.00 179.24 177.96 2ee8 h HIS 64 N 0.64 0.15 0.00 0.28 2.76 -0.05 0.35 115.15 119.28 2ee8 h HIS 64 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2ee8 h HIS 64 Cb 0.68 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2ee8 h HIS 64 CO 0.03 0.02 0.18 0.54 -1.30 0.00 0.00 177.93 177.41 2ee8 n ARG 65 N -4.32 0.07 0.25 5.26 1.74 -0.80 -0.14 116.66 118.71 2ee8 n ARG 65 Ca 0.21 0.51 0.14 0.00 -0.77 0.00 0.00 57.85 57.93 2ee8 n ARG 65 Cb 0.98 -1.90 0.59 0.00 -1.02 0.00 0.00 32.46 31.11 2ee8 n ARG 65 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2ee8 h TYR 66 N 0.00 0.00 0.00 -1.55 0.05 -0.52 -2.80 116.97 112.15 2ee8 h TYR 66 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2ee8 h TYR 66 Cb 0.36 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 2ee8 h TYR 66 CO 0.00 0.10 -0.07 -0.84 -1.05 0.00 0.00 178.16 176.30 2ee8 h ILE 67 N 0.00 0.79 -3.34 -2.88 3.07 -0.75 -3.41 117.51 110.99 2ee8 h ILE 67 Ca -0.00 -0.28 -0.57 0.00 1.55 0.00 0.00 64.86 65.56 2ee8 h ILE 67 Cb 0.61 1.16 -0.07 0.00 -0.27 0.00 0.00 36.82 38.25 2ee8 h ILE 67 CO 0.01 0.07 -0.05 -1.00 -1.05 0.00 0.00 178.15 176.13 2ee8 s HIS 68 N -4.63 3.54 -0.09 0.16 3.76 -1.06 -5.03 115.29 111.95 2ee8 s HIS 68 Ca -0.04 1.03 -0.30 0.00 -0.15 0.00 0.00 55.06 55.60 2ee8 s HIS 68 Cb 0.15 -2.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 2ee8 s HIS 68 CO 0.62 0.14 1.47 0.45 -0.85 0.00 0.00 174.74 176.57 2ee8 s SER 69 N 0.67 6.80 0.38 1.40 0.15 -1.26 -4.94 113.70 116.91 2ee8 s SER 69 Ca 0.30 2.00 -0.19 0.00 0.70 0.00 0.00 55.95 58.77 2ee8 s SER 69 Cb -0.16 -2.54 -0.14 0.00 -1.71 0.00 0.00 66.02 61.47 2ee8 s SER 69 CO 0.13 -0.84 0.06 1.17 1.20 0.00 0.00 173.24 174.96 2ee8 n LYS 70 N 6.71 0.00 -4.10 5.44 3.00 -1.26 -4.94 118.16 123.01 2ee8 n LYS 70 Ca 0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.13 2ee8 n LYS 70 Cb 0.44 -0.92 -0.15 0.00 0.00 0.00 0.00 35.03 34.39 2ee8 n LYS 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2ee8 s GLU 71 N -0.92 3.10 -0.38 1.64 -6.30 -1.26 -5.09 118.70 109.49 2ee8 s GLU 71 Ca 0.54 -0.77 -0.26 0.00 -2.50 0.00 0.00 54.97 51.98 2ee8 s GLU 71 Cb -0.57 -2.68 0.02 0.00 0.00 0.00 0.00 34.13 30.89 2ee8 s GLU 71 CO 0.58 -0.19 0.91 0.21 0.02 0.00 0.00 175.26 176.80 2ee8 s LYS 72 N 1.30 3.81 0.44 4.30 2.20 -1.26 -4.91 119.74 125.61 2ee8 s LYS 72 Ca 0.04 0.52 0.30 0.00 -0.36 0.00 0.00 55.97 56.47 2ee8 s LYS 72 Cb -0.14 -3.81 1.24 0.00 -1.51 0.00 0.00 37.83 33.61 2ee8 s LYS 72 CO -0.10 -0.96 1.88 -1.00 -0.36 0.00 0.00 175.35 174.81 2ee8 h PRO 73 N 8.53 0.00 -2.51 4.03 0.13 -2.05 -3.31 132.00 136.82 2ee8 h PRO 73 Ca -0.23 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.22 2ee8 h PRO 73 Cb 1.08 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.84 2ee8 h PRO 73 CO 0.98 0.00 -0.11 1.97 -0.23 0.00 0.00 178.00 180.61 2ee8 n PHE 74 N -2.74 3.22 -3.88 1.56 1.16 -1.26 -5.02 117.46 110.50 2ee8 n PHE 74 Ca 0.01 -3.64 -0.13 0.00 -1.87 0.00 0.00 57.45 51.82 2ee8 n PHE 74 Cb 0.27 -0.82 -0.14 0.00 -1.61 0.00 0.00 39.48 37.17 2ee8 n PHE 74 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2ee8 s LYS 75 N -2.51 0.04 0.58 3.97 2.20 -1.25 -4.64 119.74 118.14 2ee8 s LYS 75 Ca 0.36 0.01 -0.17 0.00 -0.36 0.00 0.00 55.97 55.81 2ee8 s LYS 75 Cb 0.10 -0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.29 2ee8 s LYS 75 CO 0.02 -0.02 1.08 0.00 -0.36 0.00 0.00 175.35 176.07 2ee8 n GLN 77 N -1.78 0.62 0.12 0.00 6.02 -1.26 -3.27 117.38 117.82 2ee8 n GLN 77 Ca 0.10 0.17 -0.05 0.00 -0.01 0.00 0.00 57.00 57.21 2ee8 n GLN 77 Cb 0.52 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.27 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2ee8 h GLU 78 N -0.23 -0.29 0.05 -1.09 4.39 -1.98 -3.38 114.58 112.05 2ee8 h GLU 78 Ca -0.59 0.02 -0.36 0.00 0.34 0.00 0.00 59.36 58.76 2ee8 h GLU 78 Cb 1.81 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 30.48 2ee8 h GLU 78 CO -0.17 -0.19 -2.16 0.00 -1.16 0.00 0.00 179.01 175.33 2ee8 n GLY 80 N 1.98 -1.04 3.96 0.00 0.00 -1.20 -5.02 105.19 103.87 2ee8 n GLY 80 Ca -0.34 0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2ee8 n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ee8 s LYS 81 N -3.38 3.19 -0.37 1.61 0.00 -1.26 -4.86 119.74 114.67 2ee8 s LYS 81 Ca 0.12 -0.95 -0.29 0.00 0.00 0.00 0.00 55.97 54.85 2ee8 s LYS 81 Cb -0.02 -2.80 0.01 0.00 0.00 0.00 0.00 37.83 35.02 2ee8 s LYS 81 CO 0.64 0.21 1.27 0.20 0.00 0.00 0.00 175.35 177.68 2ee8 s GLY 82 N -4.07 1.31 0.44 0.59 0.00 -1.26 -4.45 107.32 99.88 2ee8 s GLY 82 Ca 0.40 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 45.08 2ee8 s GLY 82 CO 0.30 2.56 0.61 -1.36 0.00 0.00 0.00 173.10 175.21 2ee8 s PHE 83 N 4.59 2.90 0.04 1.90 0.40 -1.26 -5.06 117.98 121.49 2ee8 s PHE 83 Ca 0.55 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.63 2ee8 s PHE 83 Cb -0.13 -2.39 -0.00 0.00 0.51 0.00 0.00 43.02 41.00 2ee8 s PHE 83 CO 0.26 -0.45 -0.02 0.00 0.70 0.00 0.00 175.22 175.72 2ee8 s GLN 85 N -2.04 2.31 0.17 0.00 0.74 -1.26 -5.03 119.66 114.54 2ee8 s GLN 85 Ca -0.02 -1.01 -0.16 0.00 0.05 0.00 0.00 55.36 54.21 2ee8 s GLN 85 Cb 0.00 -2.37 0.11 0.00 1.10 0.00 0.00 33.01 31.85 2ee8 s GLN 85 CO 0.03 0.50 1.68 1.03 -0.55 0.00 0.00 175.29 177.97 2ee8 h SER 86 N 3.25 -0.28 -0.62 6.67 0.87 -1.98 -1.52 113.55 119.95 2ee8 h SER 86 Ca -0.48 0.11 0.10 0.00 -1.23 0.00 0.00 61.79 60.29 2ee8 h SER 86 Cb 1.18 0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 63.27 2ee8 h SER 86 CO 0.56 -0.09 0.21 -0.09 -0.53 0.00 0.00 176.83 176.88 2ee8 h ARG 87 N 0.05 0.36 -0.85 2.24 2.43 -2.00 0.13 114.38 116.73 2ee8 h ARG 87 Ca 0.20 -0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.54 2ee8 h ARG 87 Cb 0.29 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 2ee8 h ARG 87 CO -0.38 0.24 0.57 1.15 -1.51 0.00 0.00 179.97 180.05 2ee8 h THR 88 N 0.38 0.69 0.00 0.20 2.02 -1.69 0.44 112.91 114.94 2ee8 h THR 88 Ca 0.32 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.29 2ee8 h THR 88 Cb 0.42 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2ee8 h THR 88 CO -0.34 0.06 -0.42 0.25 0.37 0.00 0.00 175.52 175.45 2ee8 h LEU 89 N 0.34 0.00 0.07 2.58 5.85 -0.77 -2.98 115.31 120.40 2ee8 h LEU 89 Ca 0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 2ee8 h LEU 89 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2ee8 h LEU 89 CO -0.14 0.42 -0.03 0.00 -0.34 0.00 0.00 178.44 178.35 2ee8 h ALA 90 N 1.58 -0.09 -0.84 1.25 0.00 0.07 -0.63 119.26 120.60 2ee8 h ALA 90 Ca -0.00 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.00 2ee8 h ALA 90 Cb 0.94 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2ee8 h ALA 90 CO 0.05 -0.10 0.65 -0.24 0.00 0.00 0.00 179.25 179.62 2ee8 h VAL 91 N -1.00 0.48 0.00 0.00 3.04 -1.31 -1.80 116.25 115.67 2ee8 h VAL 91 Ca -0.01 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.57 2ee8 h VAL 91 Cb 0.33 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.13 2ee8 h VAL 91 CO 0.01 0.00 -0.69 -0.74 -1.01 0.00 0.00 177.57 175.14 2ee8 h HIS 92 N 0.00 0.00 -1.46 3.17 -0.00 -1.60 -3.36 115.15 111.91 2ee8 h HIS 92 Ca 0.40 0.00 0.43 0.00 -0.00 0.00 0.00 60.37 61.20 2ee8 h HIS 92 Cb 1.70 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 29.03 2ee8 h HIS 92 CO 0.00 0.92 1.02 0.87 -0.00 0.00 0.00 177.93 180.74 2ee8 h LYS 93 N -1.00 0.06 -0.06 5.26 1.79 -0.35 0.15 116.57 122.42 2ee8 h LYS 93 Ca -0.16 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.34 2ee8 h LYS 93 Cb 0.94 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.53 2ee8 h LYS 93 CO -0.10 0.04 -0.20 1.79 -1.08 0.00 0.00 179.45 179.90 2ee8 h THR 94 N 0.06 0.52 -0.15 -0.16 1.35 -1.49 0.26 112.91 113.29 2ee8 h THR 94 Ca 0.74 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.65 2ee8 h THR 94 Cb 2.75 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 2ee8 h THR 94 CO -0.13 0.00 0.34 0.17 -0.25 0.00 0.00 175.52 175.65 2ee8 h LEU 95 N -0.29 0.00 -2.99 3.87 8.10 -0.89 0.93 115.31 124.04 2ee8 h LEU 95 Ca 0.08 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.82 2ee8 h LEU 95 Cb 0.39 0.00 -0.14 0.00 -0.44 0.00 0.00 40.66 40.47 2ee8 h LEU 95 CO -0.23 0.00 0.32 1.41 -4.11 0.00 0.00 178.44 175.83 2ee8 n HIS 96 N -3.27 1.41 -3.56 0.17 8.25 0.08 -4.85 115.22 113.46 2ee8 n HIS 96 Ca 0.01 -1.24 -0.08 0.00 -0.26 0.00 0.00 57.72 56.16 2ee8 n HIS 96 Cb 0.44 -0.62 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 2ee8 n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ee8 s MET 97 N -1.54 0.57 0.37 -0.41 0.23 0.32 -5.07 119.30 113.78 2ee8 s MET 97 Ca 0.26 -0.06 0.02 0.00 -1.03 0.00 0.00 55.69 54.88 2ee8 s MET 97 Cb 0.22 0.26 -0.02 0.00 -1.53 0.00 0.00 34.83 33.77 2ee8 s MET 97 CO 0.04 -0.22 0.56 1.14 -2.03 0.00 0.00 175.02 174.52 2ee8 s GLN 98 N -2.01 3.25 0.33 3.16 -2.07 -1.26 -4.94 119.66 116.12 2ee8 s GLN 98 Ca 0.03 -0.56 0.05 0.00 -1.82 0.00 0.00 55.36 53.06 2ee8 s GLN 98 Cb -0.01 -2.67 -0.03 0.00 -1.09 0.00 0.00 33.01 29.21 2ee8 s GLN 98 CO -0.04 0.00 0.19 0.95 -1.32 0.00 0.00 175.29 175.08 2ee8 s THR 99 N -2.35 0.24 0.04 3.63 -4.23 -1.26 -5.15 115.64 106.57 2ee8 s THR 99 Ca 0.43 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.70 2ee8 s THR 99 Cb -0.10 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.33 2ee8 s THR 99 CO 0.35 0.00 0.57 -0.44 -0.54 0.00 0.00 174.62 174.56 2ee8 s SER 100 N -3.41 -0.51 -0.50 3.99 0.01 -1.26 -5.13 113.70 106.89 2ee8 s SER 100 Ca 0.35 0.27 -0.09 0.00 1.31 0.00 0.00 55.95 57.78 2ee8 s SER 100 Cb 0.04 0.52 0.13 0.00 0.21 0.00 0.00 66.02 66.91 2ee8 s SER 100 CO 0.20 -0.74 0.38 -0.94 0.41 0.00 0.00 173.24 172.55 2ee8 s SER 101 N -1.93 5.75 1.18 2.44 1.04 -1.26 -5.08 113.70 115.84 2ee8 s SER 101 Ca -0.06 -2.01 -0.15 0.00 0.48 0.00 0.00 55.95 54.22 2ee8 s SER 101 Cb -0.01 -2.02 0.22 0.00 0.10 0.00 0.00 66.02 64.31 2ee8 s SER 101 CO -0.01 -0.68 0.77 -0.81 0.98 0.00 0.00 173.24 173.49 2ee8 n PRO 102 N 4.79 -2.53 -3.50 4.02 -0.04 -1.26 -5.10 135.00 131.38 2ee8 n PRO 102 Ca -0.06 -1.23 -0.09 0.00 -0.04 0.00 0.00 63.50 62.08 2ee8 n PRO 102 Cb 0.41 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 2ee8 n PRO 102 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2ee8 s THR 103 N -2.39 0.00 -0.28 0.52 -1.32 -1.26 -5.18 115.64 105.73 2ee8 s THR 103 Ca 0.50 -0.02 -0.26 0.00 -1.21 0.00 0.00 61.69 60.70 2ee8 s THR 103 Cb -0.05 -1.02 0.17 0.00 -1.51 0.00 0.00 72.50 70.08 2ee8 s THR 103 CO 0.38 0.00 1.29 0.00 -2.21 0.00 0.00 174.62 174.08 2ee8 s ALA 104 N -3.23 -2.12 -0.30 11.08 0.00 -1.26 -5.16 121.76 120.77 2ee8 s ALA 104 Ca 0.04 1.75 -0.15 0.00 0.00 0.00 0.00 51.96 53.60 2ee8 s ALA 104 Cb -0.01 -1.58 0.18 0.00 0.00 0.00 0.00 23.12 21.71 2ee8 s ALA 104 CO -0.09 -0.17 1.10 0.00 0.00 0.00 0.00 175.76 176.59 2ee8 s ALA 105 N -0.15 -3.26 0.00 0.00 0.00 -1.26 -5.38 121.76 111.72 2ee8 s ALA 105 Ca 0.06 1.65 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2ee8 s ALA 105 Cb -0.04 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2ee8 s ALA 105 CO -0.11 -1.24 0.00 0.43 0.00 0.00 0.00 175.76 174.84