#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 -0.20 0.25 1.61 0.15 -1.26 -5.19 113.70 109.06 2ee8 s SER 2 Ca 0.00 -0.36 -0.22 0.00 0.70 0.00 0.00 55.95 56.08 2ee8 s SER 2 Cb 0.00 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 2ee8 s SER 2 CO 0.00 -0.87 0.79 -0.44 1.20 0.00 0.00 173.24 173.92 2ee8 s SER 3 N -2.89 -0.22 0.12 5.45 0.01 -1.26 -5.19 113.70 109.71 2ee8 s SER 3 Ca 0.11 -0.58 -0.26 0.00 1.31 0.00 0.00 55.95 56.54 2ee8 s SER 3 Cb -0.01 0.67 0.08 0.00 0.21 0.00 0.00 66.02 66.97 2ee8 s SER 3 CO 0.01 -1.24 1.07 -0.83 0.41 0.00 0.00 173.24 172.65 2ee8 s GLY 4 N -2.94 -0.19 -0.14 3.44 0.00 -1.26 -5.19 107.32 101.04 2ee8 s GLY 4 Ca 0.12 0.14 -0.34 0.00 0.00 0.00 0.00 44.72 44.64 2ee8 s GLY 4 CO 0.06 0.82 1.21 -1.35 0.00 0.00 0.00 173.10 173.85 2ee8 s SER 5 N -3.10 -0.13 0.07 1.64 1.04 -1.26 -5.19 113.70 106.78 2ee8 s SER 5 Ca 0.16 -0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.28 2ee8 s SER 5 Cb -0.00 0.16 0.09 0.00 0.10 0.00 0.00 66.02 66.37 2ee8 s SER 5 CO 0.01 -0.27 1.14 -0.94 0.98 0.00 0.00 173.24 174.17 2ee8 s SER 6 N -2.37 -0.08 0.00 7.02 1.04 -1.26 -5.19 113.70 112.85 2ee8 s SER 6 Ca 0.10 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2ee8 s SER 6 Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2ee8 s SER 6 CO -0.04 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2ee8 n GLY 7 N -0.55 0.48 3.57 7.32 0.00 -1.26 -5.19 105.19 109.56 2ee8 n GLY 7 Ca -0.06 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 2ee8 n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ee8 s GLY 8 N 0.00 -0.39 0.28 -0.02 0.00 -1.26 -5.19 107.32 100.74 2ee8 s GLY 8 Ca 0.00 0.98 -0.15 0.00 0.00 0.00 0.00 44.72 45.56 2ee8 s GLY 8 CO 0.00 0.31 0.58 0.50 0.00 0.00 0.00 173.10 174.49 2ee8 s ARG 9 N -2.95 1.71 -0.02 2.90 1.81 -1.26 -5.17 118.95 115.96 2ee8 s ARG 9 Ca 0.08 -1.23 0.01 0.00 -1.72 0.00 0.00 55.73 52.86 2ee8 s ARG 9 Cb -0.01 0.52 0.01 0.00 -0.45 0.00 0.00 34.95 35.03 2ee8 s ARG 9 CO -0.06 -0.74 -0.03 -0.51 -0.68 0.00 0.00 175.30 173.28 2ee8 s LEU 10 N -3.01 1.56 0.00 2.53 1.43 -1.26 -5.16 118.68 114.77 2ee8 s LEU 10 Ca 0.19 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 2ee8 s LEU 10 Cb -0.03 -0.26 0.17 0.00 0.03 0.00 0.00 46.19 46.10 2ee8 s LEU 10 CO 0.10 -0.03 0.62 -0.81 0.23 0.00 0.00 176.35 176.46 2ee8 n PRO 11 N 3.62 -2.23 -4.09 1.29 -0.04 -1.26 -5.09 135.00 127.19 2ee8 n PRO 11 Ca -0.21 -1.00 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 2ee8 n PRO 11 Cb 0.54 -0.93 -0.11 0.00 -0.04 0.00 0.00 33.50 32.96 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 -3.19 0.83 -0.32 3.54 0.15 -1.26 -5.05 113.70 108.40 2ee8 s SER 12 Ca 0.41 -0.75 0.08 0.00 0.70 0.00 0.00 55.95 56.38 2ee8 s SER 12 Cb -0.04 0.08 0.50 0.00 -1.71 0.00 0.00 66.02 64.85 2ee8 s SER 12 CO 0.31 -0.35 1.47 2.29 1.20 0.00 0.00 173.24 178.16 2ee8 n LYS 13 N 0.81 2.13 -3.54 5.44 0.00 -1.26 -4.99 118.16 116.76 2ee8 n LYS 13 Ca -0.18 -3.34 -0.16 0.00 -0.00 0.00 0.00 58.31 54.62 2ee8 n LYS 13 Cb 0.57 -1.92 -0.06 0.00 -0.00 0.00 0.00 35.03 33.63 2ee8 n LYS 13 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2ee8 s THR 14 N -3.56 0.00 -0.56 0.58 -1.32 -1.26 -5.06 115.64 104.46 2ee8 s THR 14 Ca 0.47 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.98 2ee8 s THR 14 Cb 0.42 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.82 2ee8 s THR 14 CO -0.00 0.00 1.50 2.29 -2.21 0.00 0.00 174.62 176.20 2ee8 n LYS 15 N 1.00 3.18 -4.46 7.08 2.85 -1.26 -4.98 118.16 121.56 2ee8 n LYS 15 Ca -0.17 -4.01 -0.26 0.00 -1.05 0.00 0.00 58.31 52.82 2ee8 n LYS 15 Cb 0.57 -2.27 -0.17 0.00 -0.65 0.00 0.00 35.03 32.52 2ee8 n LYS 15 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2ee8 s LYS 16 N -3.74 1.82 0.16 -1.58 -0.14 -1.26 -5.13 119.74 109.87 2ee8 s LYS 16 Ca 0.52 -0.43 -0.12 0.00 -1.36 0.00 0.00 55.97 54.57 2ee8 s LYS 16 Cb 0.43 -1.57 0.01 0.00 -1.68 0.00 0.00 37.83 35.02 2ee8 s LYS 16 CO -0.19 -0.04 0.36 -1.83 -0.76 0.00 0.00 175.35 172.89 2ee8 s GLU 17 N 0.90 1.18 0.47 1.68 4.04 -1.26 -4.89 118.70 120.82 2ee8 s GLU 17 Ca -0.10 -1.00 0.01 0.00 0.04 0.00 0.00 54.97 53.92 2ee8 s GLU 17 Cb -0.15 0.43 -0.00 0.00 0.02 0.00 0.00 34.13 34.42 2ee8 s GLU 17 CO 0.01 -0.46 0.04 1.19 -1.84 0.00 0.00 175.26 174.20 2ee8 n PHE 18 N -0.24 0.88 -3.81 4.83 3.72 -1.26 -5.05 117.46 116.53 2ee8 n PHE 18 Ca -0.10 -2.48 -0.13 0.00 -0.05 0.00 0.00 57.45 54.70 2ee8 n PHE 18 Cb 0.63 -0.24 -0.14 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.86 -0.02 0.96 4.37 1.01 -1.26 -3.23 121.20 120.18 2ee8 s ILE 19 Ca 0.05 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.63 2ee8 s ILE 19 Cb 0.00 -0.16 0.12 0.00 0.01 0.00 0.00 42.46 42.44 2ee8 s ILE 19 CO 0.04 0.02 0.14 0.00 0.00 0.00 0.00 174.94 175.15 2ee8 n LYS 21 N -1.13 0.90 0.20 0.00 2.85 -1.26 -4.08 118.16 115.65 2ee8 n LYS 21 Ca 0.04 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.17 2ee8 n LYS 21 Cb 0.36 -0.93 -0.08 0.00 -0.65 0.00 0.00 35.03 33.74 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 -0.48 0.00 5.58 0.04 -2.00 -3.37 116.94 116.71 2ee8 h PHE 22 Ca 0.00 -0.01 -0.30 0.00 2.80 0.00 0.00 57.97 60.46 2ee8 h PHE 22 Cb 0.86 0.16 -0.06 0.00 2.20 0.00 0.00 35.95 39.11 2ee8 h PHE 22 CO 0.00 -0.16 -2.13 0.00 -0.60 0.00 0.00 178.31 175.42 2ee8 n GLY 24 N 1.98 1.17 3.75 0.00 0.00 -1.26 -5.03 105.19 105.80 2ee8 n GLY 24 Ca -0.27 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.48 1.65 0.29 1.61 3.52 -1.26 -4.56 118.95 117.71 2ee8 s ARG 25 Ca 0.00 0.79 0.07 0.00 -0.13 0.00 0.00 55.73 56.46 2ee8 s ARG 25 Cb 0.00 -1.86 -0.03 0.00 -1.56 0.00 0.00 34.95 31.50 2ee8 s ARG 25 CO 0.00 -1.96 0.21 -1.01 -0.81 0.00 0.00 175.30 171.73 2ee8 s HIS 26 N -3.01 2.99 0.18 5.12 3.76 -1.26 -0.29 115.29 122.78 2ee8 s HIS 26 Ca 0.62 -0.20 -0.19 0.00 -0.15 0.00 0.00 55.06 55.14 2ee8 s HIS 26 Cb -0.17 -1.54 0.04 0.00 1.11 0.00 0.00 32.58 32.03 2ee8 s HIS 26 CO 0.56 0.40 0.53 -0.06 -0.85 0.00 0.00 174.74 175.32 2ee8 s PHE 27 N -2.22 -0.27 -0.13 1.40 0.40 -1.20 -4.93 117.98 111.03 2ee8 s PHE 27 Ca 0.36 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.73 2ee8 s PHE 27 Cb -0.07 0.44 -0.14 0.00 0.51 0.00 0.00 43.02 43.76 2ee8 s PHE 27 CO 0.25 -0.87 -0.01 0.25 0.70 0.00 0.00 175.22 175.54 2ee8 n THR 28 N -0.34 0.85 -4.43 0.64 -2.24 -1.26 -4.15 114.28 103.36 2ee8 n THR 28 Ca -0.13 -0.46 -0.35 0.00 -2.27 0.00 0.00 64.05 60.84 2ee8 n THR 28 Cb 0.63 -0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 2ee8 n THR 28 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ee8 s LYS 29 N -2.30 3.01 0.47 -0.78 1.02 -1.26 -4.77 119.74 115.13 2ee8 s LYS 29 Ca -0.10 -0.45 0.15 0.00 0.02 0.00 0.00 55.97 55.59 2ee8 s LYS 29 Cb 0.04 -2.77 1.13 0.00 -0.52 0.00 0.00 37.83 35.72 2ee8 s LYS 29 CO 0.46 0.64 2.05 0.77 -0.92 0.00 0.00 175.35 178.35 2ee8 h SER 30 N 5.36 0.21 0.09 2.83 0.02 -1.94 -2.03 113.55 118.10 2ee8 h SER 30 Ca -0.48 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.23 2ee8 h SER 30 Cb 1.19 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 63.70 2ee8 h SER 30 CO 0.55 0.14 -1.00 0.22 -1.14 0.00 0.00 176.83 175.60 2ee8 h TYR 31 N 0.24 0.82 0.00 3.45 5.03 -2.01 -3.19 116.97 121.32 2ee8 h TYR 31 Ca 0.16 -0.52 0.00 0.00 2.58 0.00 0.00 58.73 60.96 2ee8 h TYR 31 Cb 0.34 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.56 2ee8 h TYR 31 CO -0.00 1.36 0.19 -0.97 -1.32 0.00 0.00 178.16 177.43 2ee8 h ASN 32 N 0.05 0.00 0.33 -2.11 -0.00 -1.78 0.48 115.58 112.55 2ee8 h ASN 32 Ca -0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 56.30 55.84 2ee8 h ASN 32 Cb 1.71 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 40.06 2ee8 h ASN 32 CO 0.19 0.00 -1.35 0.25 -0.00 0.00 0.00 177.43 176.52 2ee8 h LEU 33 N 0.00 0.74 -0.33 0.34 5.85 -1.49 -3.22 115.31 117.21 2ee8 h LEU 33 Ca 0.00 -0.76 -0.18 0.00 0.84 0.00 0.00 57.88 57.78 2ee8 h LEU 33 Cb 0.39 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2ee8 h LEU 33 CO 0.00 1.58 -0.50 0.17 -0.34 0.00 0.00 178.44 179.35 2ee8 h LEU 34 N 0.16 0.99 -0.47 2.25 8.10 -1.01 -3.06 115.31 122.28 2ee8 h LEU 34 Ca -0.21 -0.51 0.06 0.00 0.11 0.00 0.00 57.88 57.34 2ee8 h LEU 34 Cb 2.04 -0.28 -0.05 0.00 -0.44 0.00 0.00 40.66 41.93 2ee8 h LEU 34 CO 0.25 1.31 0.16 0.40 -4.11 0.00 0.00 178.44 176.44 2ee8 h ILE 35 N 0.70 0.83 -0.49 0.15 2.04 -1.49 -2.20 117.51 117.05 2ee8 h ILE 35 Ca 0.03 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2ee8 h ILE 35 Cb 1.11 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2ee8 h ILE 35 CO 0.11 0.06 0.30 -0.74 0.00 0.00 0.00 178.15 177.88 2ee8 h HIS 36 N 0.33 0.56 -0.47 1.37 2.76 -1.56 -1.42 115.15 116.72 2ee8 h HIS 36 Ca 0.22 0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.55 2ee8 h HIS 36 Cb 0.24 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 2ee8 h HIS 36 CO -0.16 0.32 0.79 0.93 -1.30 0.00 0.00 177.93 178.51 2ee8 h GLU 37 N 0.59 0.00 -0.54 5.26 5.08 -1.29 0.46 114.58 124.15 2ee8 h GLU 37 Ca 0.20 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2ee8 h GLU 37 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2ee8 h GLU 37 CO -0.08 0.00 0.20 0.00 -1.00 0.00 0.00 179.01 178.12 2ee8 h ARG 38 N 0.00 0.82 -0.89 2.33 3.08 -1.24 -2.82 114.38 115.65 2ee8 h ARG 38 Ca 0.22 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 60.16 2ee8 h ARG 38 Cb 1.80 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 31.66 2ee8 h ARG 38 CO -0.00 0.73 0.57 1.79 -1.07 0.00 0.00 179.97 181.99 2ee8 h THR 39 N 0.74 1.11 -0.01 2.04 1.35 -0.21 -2.79 112.91 115.14 2ee8 h THR 39 Ca 0.18 -0.37 0.03 0.00 -0.55 0.00 0.00 66.41 65.70 2ee8 h THR 39 Cb 0.23 -0.07 -0.05 0.00 -1.73 0.00 0.00 68.15 66.53 2ee8 h THR 39 CO -0.01 0.20 -0.33 0.45 -0.25 0.00 0.00 175.52 175.58 2ee8 h HIS 40 N 1.08 -0.91 -3.83 4.73 3.86 -1.54 -3.42 115.15 115.12 2ee8 h HIS 40 Ca 0.37 0.03 -0.49 0.00 -1.16 0.00 0.00 60.37 59.12 2ee8 h HIS 40 Cb 0.08 0.40 0.02 0.00 1.06 0.00 0.00 27.41 28.97 2ee8 h HIS 40 CO -0.02 -0.42 0.19 -0.08 0.86 0.00 0.00 177.93 178.46 2ee8 s THR 41 N -5.99 4.77 0.29 2.45 -1.32 -1.05 -5.09 115.64 109.70 2ee8 s THR 41 Ca -0.16 0.63 -0.15 0.00 -1.21 0.00 0.00 61.69 60.81 2ee8 s THR 41 Cb 0.09 -3.78 0.01 0.00 -1.51 0.00 0.00 72.50 67.31 2ee8 s THR 41 CO 0.65 -0.71 0.61 -1.81 -2.21 0.00 0.00 174.62 171.14 2ee8 s ASP 42 N -3.52 -0.02 0.08 8.08 1.11 -1.26 -4.87 116.67 116.27 2ee8 s ASP 42 Ca 0.52 -0.93 0.04 0.00 0.18 0.00 0.00 52.55 52.36 2ee8 s ASP 42 Cb -0.10 0.69 -0.03 0.00 1.07 0.00 0.00 42.92 44.54 2ee8 s ASP 42 CO 0.38 -1.32 -0.11 -1.83 1.18 0.00 0.00 175.17 173.47 2ee8 s GLU 43 N -3.60 0.80 -0.25 8.23 -1.05 -1.26 -5.14 118.70 116.45 2ee8 s GLU 43 Ca 0.19 -1.04 0.02 0.00 -0.15 0.00 0.00 54.97 53.99 2ee8 s GLU 43 Cb -0.03 -0.63 0.05 0.00 -0.44 0.00 0.00 34.13 33.08 2ee8 s GLU 43 CO 0.10 0.12 -0.12 1.03 0.95 0.00 0.00 175.26 177.34 2ee8 s ARG 44 N -2.24 2.39 -0.01 -4.83 1.81 -1.26 -5.01 118.95 109.79 2ee8 s ARG 44 Ca 0.01 -1.25 -0.25 0.00 -1.72 0.00 0.00 55.73 52.52 2ee8 s ARG 44 Cb -0.07 -2.85 -0.20 0.00 -0.45 0.00 0.00 34.95 31.39 2ee8 s ARG 44 CO 0.01 -0.51 1.28 -1.00 -0.68 0.00 0.00 175.30 174.40 2ee8 h PRO 45 N 7.81 0.05 -5.38 3.54 0.13 -2.00 -3.40 132.00 132.75 2ee8 h PRO 45 Ca -0.24 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 2ee8 h PRO 45 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2ee8 h PRO 45 CO 0.50 0.52 0.16 0.71 -0.23 0.00 0.00 178.00 179.66 2ee8 s TYR 46 N -4.27 1.27 -0.08 1.56 2.02 -1.26 -4.89 117.35 111.70 2ee8 s TYR 46 Ca -0.16 1.78 0.03 0.00 -0.37 0.00 0.00 57.07 58.35 2ee8 s TYR 46 Cb 0.02 -3.53 0.01 0.00 -0.40 0.00 0.00 41.96 38.06 2ee8 s TYR 46 CO 0.68 -1.48 -0.17 0.99 -1.57 0.00 0.00 175.55 174.00 2ee8 s THR 47 N 14.24 1.53 1.37 -0.71 2.01 -1.26 -1.70 115.64 131.11 2ee8 s THR 47 Ca 0.87 -0.70 -0.20 0.00 0.31 0.00 0.00 61.69 61.96 2ee8 s THR 47 Cb -0.11 -1.36 0.35 0.00 0.01 0.00 0.00 72.50 71.40 2ee8 s THR 47 CO 0.08 0.44 0.95 0.00 -0.69 0.00 0.00 174.62 175.40 2ee8 n ASP 49 N -5.49 1.04 0.00 0.00 2.03 -1.26 -4.16 116.55 108.71 2ee8 n ASP 49 Ca 0.10 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2ee8 n ASP 49 Cb 0.58 1.72 0.00 0.00 -0.72 0.00 0.00 41.12 42.70 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 -2.04 0.00 0.81 5.18 5.41 -1.26 -4.66 119.36 122.80 2ee8 n ILE 50 Ca -0.03 0.18 0.07 0.00 1.00 0.00 0.00 62.75 63.98 2ee8 n ILE 50 Cb 0.43 -1.11 0.40 0.00 -0.71 0.00 0.00 39.64 38.65 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 -1.13 -1.06 -2.73 0.00 -0.00 -1.26 -4.88 115.22 104.15 2ee8 n HIS 52 Ca 0.09 0.58 -0.29 0.00 0.46 0.00 0.00 57.72 58.57 2ee8 n HIS 52 Cb 0.08 -1.98 -0.01 0.00 -0.12 0.00 0.00 29.99 27.96 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 -6.66 3.63 -0.07 1.57 1.02 -1.26 -4.67 119.74 113.30 2ee8 s LYS 53 Ca 0.44 0.30 -0.05 0.00 0.02 0.00 0.00 55.97 56.69 2ee8 s LYS 53 Cb -0.26 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 2ee8 s LYS 53 CO 0.90 -0.13 0.13 0.00 -0.92 0.00 0.00 175.35 175.33 2ee8 s ALA 54 N -2.58 3.81 0.20 5.17 0.00 -1.26 -2.10 121.76 124.99 2ee8 s ALA 54 Ca 0.49 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.74 2ee8 s ALA 54 Cb -0.10 -1.86 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 2ee8 s ALA 54 CO 0.39 0.66 0.06 -0.06 0.00 0.00 0.00 175.76 176.81 2ee8 s PHE 55 N -1.12 1.25 -0.25 0.00 0.40 -0.69 -5.03 117.98 112.54 2ee8 s PHE 55 Ca 0.19 -1.15 -0.07 0.00 -0.60 0.00 0.00 56.93 55.30 2ee8 s PHE 55 Cb -0.12 -0.70 -0.13 0.00 0.51 0.00 0.00 43.02 42.58 2ee8 s PHE 55 CO 0.09 -0.35 -0.28 -2.13 0.70 0.00 0.00 175.22 173.25 2ee8 n ARG 56 N -0.29 0.56 -3.97 0.44 3.00 -1.26 -4.47 116.66 110.67 2ee8 n ARG 56 Ca -0.03 0.20 -0.36 0.00 -0.00 0.00 0.00 57.85 57.65 2ee8 n ARG 56 Cb 0.65 -1.43 -0.07 0.00 0.00 0.00 0.00 32.46 31.60 2ee8 n ARG 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2ee8 s ARG 57 N -2.47 3.50 0.05 -0.14 1.81 -1.26 -4.99 118.95 115.46 2ee8 s ARG 57 Ca -0.34 -0.22 -0.36 0.00 -1.72 0.00 0.00 55.73 53.08 2ee8 s ARG 57 Cb 0.12 -3.14 -0.20 0.00 -0.45 0.00 0.00 34.95 31.27 2ee8 s ARG 57 CO 0.49 0.65 1.52 0.37 -0.68 0.00 0.00 175.30 177.65 2ee8 h GLN 58 N 5.42 -1.27 -0.96 3.54 4.15 -2.00 -2.79 115.11 121.21 2ee8 h GLN 58 Ca -0.50 0.09 0.19 0.00 0.77 0.00 0.00 58.65 59.19 2ee8 h GLN 58 Cb 1.21 0.29 -0.18 0.00 0.21 0.00 0.00 27.48 29.00 2ee8 h GLN 58 CO 0.61 -0.84 -0.26 -0.25 -1.93 0.00 0.00 178.83 176.16 2ee8 n ASP 59 N -5.60 -0.39 -0.12 -0.69 8.00 -1.26 0.63 116.55 117.12 2ee8 n ASP 59 Ca -0.16 1.66 -0.04 0.00 0.71 0.00 0.00 54.79 56.95 2ee8 n ASP 59 Cb 0.52 -0.48 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.02 -0.39 1.24 3.86 -1.96 0.35 115.15 118.26 2ee8 h HIS 60 Ca 0.44 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.65 2ee8 h HIS 60 Cb 0.68 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 2ee8 h HIS 60 CO -0.75 -0.06 0.11 1.25 0.86 0.00 0.00 177.93 179.33 2ee8 h LEU 61 N 0.13 0.59 0.34 2.43 5.85 0.46 0.14 115.31 125.25 2ee8 h LEU 61 Ca 0.20 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2ee8 h LEU 61 Cb 0.27 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2ee8 h LEU 61 CO -0.31 0.65 -0.33 -0.09 -0.34 0.00 0.00 178.44 178.02 2ee8 h ARG 62 N 0.49 -0.68 -0.31 1.25 1.12 0.05 -2.18 114.38 114.12 2ee8 h ARG 62 Ca 0.12 0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.99 2ee8 h ARG 62 Cb 0.29 0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.38 2ee8 h ARG 62 CO -0.00 -0.45 -0.05 0.38 -3.11 0.00 0.00 179.97 176.74 2ee8 h ASP 63 N -0.70 0.46 -0.68 -3.80 3.04 -0.93 -2.49 116.42 111.32 2ee8 h ASP 63 Ca -0.02 -0.10 0.10 0.00 -3.24 0.00 0.00 57.03 53.77 2ee8 h ASP 63 Cb 0.63 -0.12 -0.04 0.00 -1.04 0.00 0.00 39.33 38.76 2ee8 h ASP 63 CO -0.06 0.56 0.45 -0.74 -2.04 0.00 0.00 179.24 177.42 2ee8 h HIS 64 N 0.46 0.58 0.00 4.15 2.76 -0.23 -0.46 115.15 122.42 2ee8 h HIS 64 Ca 0.10 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2ee8 h HIS 64 Cb 0.38 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.15 2ee8 h HIS 64 CO 0.01 0.28 0.45 0.00 -1.30 0.00 0.00 177.93 177.37 2ee8 h ARG 65 N 0.55 0.00 -0.48 5.26 3.08 -0.92 0.31 114.38 122.19 2ee8 h ARG 65 Ca 0.31 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.26 2ee8 h ARG 65 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2ee8 h ARG 65 CO -0.10 0.00 -0.11 1.88 -1.07 0.00 0.00 179.97 180.57 2ee8 h TYR 66 N 0.00 0.96 -1.16 3.04 -1.99 -1.26 -2.82 116.97 113.74 2ee8 h TYR 66 Ca 0.00 -0.18 0.33 0.00 2.00 0.00 0.00 58.73 60.87 2ee8 h TYR 66 Cb 0.90 -0.24 -0.08 0.00 2.00 0.00 0.00 36.73 39.31 2ee8 h TYR 66 CO 0.00 0.93 0.79 -0.84 -0.00 0.00 0.00 178.16 179.04 2ee8 h ILE 67 N 0.78 0.42 -1.99 -2.88 3.07 -0.56 -3.31 117.51 113.04 2ee8 h ILE 67 Ca 0.13 -0.06 -0.58 0.00 1.55 0.00 0.00 64.86 65.90 2ee8 h ILE 67 Cb 0.62 0.23 -0.10 0.00 -0.27 0.00 0.00 36.82 37.30 2ee8 h ILE 67 CO 0.04 0.03 1.13 -1.00 -1.05 0.00 0.00 178.15 177.31 2ee8 s HIS 68 N -5.21 2.46 0.62 0.16 3.76 -1.07 -5.00 115.29 111.01 2ee8 s HIS 68 Ca -0.07 -0.45 -0.11 0.00 -0.15 0.00 0.00 55.06 54.29 2ee8 s HIS 68 Cb 0.25 -4.59 0.15 0.00 1.11 0.00 0.00 32.58 29.50 2ee8 s HIS 68 CO 0.81 -1.95 0.61 0.43 -0.85 0.00 0.00 174.74 173.78 2ee8 n SER 69 N 8.86 -1.25 -3.79 1.40 7.64 -1.25 -4.31 113.62 120.92 2ee8 n SER 69 Ca 0.13 -0.93 -0.25 0.00 1.01 0.00 0.00 58.87 58.83 2ee8 n SER 69 Cb 0.49 -0.53 0.03 0.00 -1.01 0.00 0.00 64.21 63.19 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 -3.12 -5.33 -3.59 1.43 5.02 -1.26 -4.98 118.16 106.34 2ee8 n LYS 70 Ca 0.08 0.62 -0.21 0.00 -2.02 0.00 0.00 58.31 56.78 2ee8 n LYS 70 Cb 0.31 -5.35 -0.15 0.00 -0.02 0.00 0.00 35.03 29.82 2ee8 n LYS 70 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2ee8 s GLU 71 N -6.28 0.09 -0.44 1.97 2.02 -1.26 -5.12 118.70 109.69 2ee8 s GLU 71 Ca 0.32 0.18 -0.16 0.00 0.02 0.00 0.00 54.97 55.33 2ee8 s GLU 71 Cb -0.16 -1.20 0.04 0.00 0.10 0.00 0.00 34.13 32.90 2ee8 s GLU 71 CO 0.82 -0.57 0.38 0.15 0.02 0.00 0.00 175.26 176.06 2ee8 s LYS 72 N 2.24 3.01 0.53 1.61 3.01 -1.26 -4.93 119.74 123.95 2ee8 s LYS 72 Ca 0.04 -1.03 0.33 0.00 -1.01 0.00 0.00 55.97 54.30 2ee8 s LYS 72 Cb -0.15 -4.03 1.38 0.00 -1.01 0.00 0.00 37.83 34.03 2ee8 s LYS 72 CO -0.09 -0.88 1.98 -1.00 0.51 0.00 0.00 175.35 175.87 2ee8 h PRO 73 N 8.71 0.00 -5.45 -1.68 0.13 -2.00 -3.40 132.00 128.31 2ee8 h PRO 73 Ca -0.27 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.22 2ee8 h PRO 73 Cb 1.11 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.10 2ee8 h PRO 73 CO 0.80 0.00 0.44 -0.59 -0.23 0.00 0.00 178.00 178.43 2ee8 s PHE 74 N -3.66 2.79 -0.15 1.56 -0.71 -1.26 -4.99 117.98 111.56 2ee8 s PHE 74 Ca 0.01 -0.41 -0.08 0.00 -1.04 0.00 0.00 56.93 55.41 2ee8 s PHE 74 Cb 0.09 -4.09 0.05 0.00 -1.21 0.00 0.00 43.02 37.87 2ee8 s PHE 74 CO 0.53 -1.44 0.37 0.21 -1.34 0.00 0.00 175.22 173.55 2ee8 s LYS 75 N 3.72 0.35 0.80 1.99 2.20 -1.26 -4.82 119.74 122.71 2ee8 s LYS 75 Ca 0.23 0.71 -0.15 0.00 -0.36 0.00 0.00 55.97 56.41 2ee8 s LYS 75 Cb -0.16 -0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.12 2ee8 s LYS 75 CO 0.13 -0.16 0.65 0.00 -0.36 0.00 0.00 175.35 175.61 2ee8 n GLN 77 N -1.52 0.66 0.00 0.00 7.27 -1.26 -3.43 117.38 119.10 2ee8 n GLN 77 Ca 0.10 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.27 2ee8 n GLN 77 Cb 0.51 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.71 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2ee8 n GLU 78 N -3.07 0.00 0.02 3.69 -0.58 -1.26 -4.20 120.64 115.24 2ee8 n GLU 78 Ca -0.38 0.49 -0.19 0.00 -0.42 0.00 0.00 57.16 56.66 2ee8 n GLU 78 Cb 0.95 -1.42 -0.14 0.00 -0.57 0.00 0.00 31.44 30.25 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 1.89 -1.03 3.61 0.00 0.00 -1.22 -5.06 105.19 103.38 2ee8 n GLY 80 Ca -0.27 0.34 -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 0.28 0.00 0.00 0.00 173.32 173.60 2ee8 n LYS 81 N -1.53 0.66 -0.61 1.61 4.76 -1.26 -4.95 118.16 116.85 2ee8 n LYS 81 Ca 0.00 -3.00 -0.08 0.00 -2.87 0.00 0.00 58.31 52.36 2ee8 n LYS 81 Cb 0.49 -0.05 0.03 0.00 -1.84 0.00 0.00 35.03 33.66 2ee8 n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ee8 n GLY 82 N -1.46 3.16 3.49 0.72 0.00 -1.26 -4.60 105.19 105.25 2ee8 n GLY 82 Ca 0.10 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 2ee8 n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ee8 n PHE 83 N 0.70 0.45 -1.13 1.61 3.72 -1.26 -4.73 117.46 116.82 2ee8 n PHE 83 Ca 0.15 -0.01 -0.18 0.00 -0.05 0.00 0.00 57.45 57.37 2ee8 n PHE 83 Cb 0.60 -1.34 -0.14 0.00 -0.94 0.00 0.00 39.48 37.67 2ee8 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ee8 s GLN 85 N 0.66 1.74 0.00 0.00 1.11 -1.26 -5.08 119.66 116.82 2ee8 s GLN 85 Ca 0.66 -1.74 0.00 0.00 0.01 0.00 0.00 55.36 54.28 2ee8 s GLN 85 Cb 0.31 0.40 0.00 0.00 -1.01 0.00 0.00 33.01 32.71 2ee8 s GLN 85 CO -0.04 -0.69 0.00 0.45 0.01 0.00 0.00 175.29 175.02 2ee8 n SER 86 N -1.17 2.44 -0.02 5.90 2.88 -1.26 -4.67 113.62 117.72 2ee8 n SER 86 Ca 0.02 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2ee8 n SER 86 Cb 0.62 0.08 -0.00 0.00 -0.75 0.00 0.00 64.21 64.17 2ee8 n SER 86 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2ee8 h ARG 87 N 0.00 0.00 -0.95 -1.46 9.65 -2.00 -3.29 114.38 116.33 2ee8 h ARG 87 Ca 0.00 0.00 0.18 0.00 -1.10 0.00 0.00 59.98 59.06 2ee8 h ARG 87 Cb 0.57 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.04 2ee8 h ARG 87 CO 0.00 0.00 0.54 0.00 2.80 0.00 0.00 179.97 183.31 2ee8 h THR 88 N -0.31 0.70 -0.98 0.20 1.03 -2.01 0.66 112.91 112.20 2ee8 h THR 88 Ca 0.00 -0.24 0.19 0.00 -0.01 0.00 0.00 66.41 66.35 2ee8 h THR 88 Cb 0.00 -0.06 -0.09 0.00 -1.07 0.00 0.00 68.15 66.93 2ee8 h THR 88 CO 0.00 0.13 0.61 0.25 -0.01 0.00 0.00 175.52 176.50 2ee8 h LEU 89 N 0.70 0.69 -2.06 0.00 5.85 -1.83 0.56 115.31 119.21 2ee8 h LEU 89 Ca 0.54 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.32 2ee8 h LEU 89 Cb 0.83 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2ee8 h LEU 89 CO -0.39 0.27 -0.06 0.00 -0.34 0.00 0.00 178.44 177.92 2ee8 h ALA 90 N 1.62 1.16 0.11 1.25 0.00 -0.93 -2.92 119.26 119.55 2ee8 h ALA 90 Ca 0.54 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 55.11 2ee8 h ALA 90 Cb 0.94 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2ee8 h ALA 90 CO -0.31 0.08 -1.43 0.28 0.00 0.00 0.00 179.25 177.87 2ee8 h VAL 91 N 0.00 1.00 -0.96 0.00 2.07 0.07 -3.37 116.25 115.05 2ee8 h VAL 91 Ca -0.00 -2.38 0.23 0.00 0.82 0.00 0.00 66.70 65.38 2ee8 h VAL 91 Cb 0.30 2.67 -0.18 0.00 -1.52 0.00 0.00 31.29 32.55 2ee8 h VAL 91 CO 0.01 0.69 -0.07 -0.74 0.02 0.00 0.00 177.57 177.48 2ee8 h HIS 92 N -0.33 -0.22 -0.94 1.57 6.17 -1.02 0.41 115.15 120.80 2ee8 h HIS 92 Ca -0.31 0.08 0.24 0.00 0.71 0.00 0.00 60.37 61.08 2ee8 h HIS 92 Cb 1.74 0.25 -0.17 0.00 2.52 0.00 0.00 27.41 31.75 2ee8 h HIS 92 CO 0.12 -0.41 0.00 0.87 0.71 0.00 0.00 177.93 179.22 2ee8 h LYS 93 N 0.01 0.04 -0.75 5.26 6.56 -1.72 0.47 116.57 126.44 2ee8 h LYS 93 Ca 0.54 -0.00 0.14 0.00 -1.06 0.00 0.00 60.65 60.26 2ee8 h LYS 93 Cb 1.00 -0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 32.52 2ee8 h LYS 93 CO -0.93 0.02 -0.23 0.25 -2.06 0.00 0.00 179.45 176.51 2ee8 n THR 94 N -5.46 -0.34 -0.11 -0.16 -2.24 0.14 0.14 114.28 106.25 2ee8 n THR 94 Ca 0.20 1.73 -0.05 0.00 -2.27 0.00 0.00 64.05 63.66 2ee8 n THR 94 Cb 0.67 -2.35 0.02 0.00 -2.10 0.00 0.00 70.33 66.57 2ee8 n THR 94 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ee8 h LEU 95 N 0.00 -0.20 -0.23 3.22 3.38 -1.05 -2.38 115.31 118.06 2ee8 h LEU 95 Ca 0.32 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2ee8 h LEU 95 Cb 0.51 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2ee8 h LEU 95 CO -0.76 -0.06 0.07 0.45 0.09 0.00 0.00 178.44 178.23 2ee8 h HIS 96 N 0.07 0.36 -3.33 1.13 3.86 0.11 -3.42 115.15 113.94 2ee8 h HIS 96 Ca 0.18 -0.04 -0.50 0.00 -1.16 0.00 0.00 60.37 58.85 2ee8 h HIS 96 Cb 0.26 -0.11 -0.35 0.00 1.06 0.00 0.00 27.41 28.27 2ee8 h HIS 96 CO -0.27 0.42 -0.80 0.00 0.86 0.00 0.00 177.93 178.14 2ee8 s MET 97 N -5.41 1.47 0.19 2.45 0.23 0.59 -5.13 119.30 113.69 2ee8 s MET 97 Ca -0.14 -0.29 -0.00 0.00 -1.03 0.00 0.00 55.69 54.23 2ee8 s MET 97 Cb 0.08 -1.38 -0.04 0.00 -1.53 0.00 0.00 34.83 31.96 2ee8 s MET 97 CO 0.72 -0.11 0.09 1.14 -2.03 0.00 0.00 175.02 174.83 2ee8 s GLN 98 N 1.15 1.17 0.42 3.16 -2.07 -1.18 -3.90 119.66 118.41 2ee8 s GLN 98 Ca -0.06 -1.60 -0.02 0.00 -1.82 0.00 0.00 55.36 51.85 2ee8 s GLN 98 Cb -0.14 0.10 -0.03 0.00 -1.09 0.00 0.00 33.01 31.85 2ee8 s GLN 98 CO -0.02 -0.32 0.67 0.95 -1.32 0.00 0.00 175.29 175.26 2ee8 s THR 99 N -4.00 5.00 0.28 3.63 -4.23 -1.26 -5.10 115.64 109.96 2ee8 s THR 99 Ca 0.34 -0.12 -0.19 0.00 -1.18 0.00 0.00 61.69 60.53 2ee8 s THR 99 Cb 0.07 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 70.11 2ee8 s THR 99 CO 0.09 -0.71 0.91 -0.94 -0.54 0.00 0.00 174.62 173.43 2ee8 s SER 100 N -4.07 -0.00 -0.24 3.99 1.04 -1.26 -5.17 113.70 107.99 2ee8 s SER 100 Ca 0.44 -0.90 -0.08 0.00 0.48 0.00 0.00 55.95 55.89 2ee8 s SER 100 Cb -0.10 0.68 0.10 0.00 0.10 0.00 0.00 66.02 66.80 2ee8 s SER 100 CO 0.41 -1.34 0.51 -0.44 0.98 0.00 0.00 173.24 173.35 2ee8 s SER 101 N -3.23 -0.59 1.20 7.02 0.01 -1.26 -5.17 113.70 111.68 2ee8 s SER 101 Ca 0.18 1.21 -0.16 0.00 1.31 0.00 0.00 55.95 58.49 2ee8 s SER 101 Cb -0.04 1.70 0.24 0.00 0.21 0.00 0.00 66.02 68.13 2ee8 s SER 101 CO 0.08 -0.23 0.86 -0.81 0.41 0.00 0.00 173.24 173.56 2ee8 n PRO 102 N 5.39 -2.71 -3.62 12.44 -0.04 -1.26 -5.10 135.00 140.10 2ee8 n PRO 102 Ca -0.10 -1.38 -0.16 0.00 -0.04 0.00 0.00 63.50 61.82 2ee8 n PRO 102 Cb 0.49 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 2ee8 n PRO 102 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2ee8 s THR 103 N -2.57 0.02 0.33 0.52 2.01 -1.26 -5.18 115.64 109.52 2ee8 s THR 103 Ca 0.56 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.44 2ee8 s THR 103 Cb -0.06 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 2ee8 s THR 103 CO 0.43 -0.11 0.29 0.00 -0.69 0.00 0.00 174.62 174.54 2ee8 s ALA 104 N -1.21 3.83 0.11 7.40 0.00 -1.26 -5.13 121.76 125.50 2ee8 s ALA 104 Ca -0.12 -1.62 -0.25 0.00 0.00 0.00 0.00 51.96 49.97 2ee8 s ALA 104 Cb -0.02 -1.21 0.08 0.00 0.00 0.00 0.00 23.12 21.97 2ee8 s ALA 104 CO 0.07 0.03 1.12 0.00 0.00 0.00 0.00 175.76 176.98 2ee8 s ALA 105 N -2.28 -1.88 0.00 0.00 0.00 -1.26 -5.37 121.76 110.97 2ee8 s ALA 105 Ca 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2ee8 s ALA 105 Cb -0.06 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2ee8 s ALA 105 CO 0.27 -1.08 0.00 0.45 0.00 0.00 0.00 175.76 175.40