#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee9 s SER 2 N 0.00 -0.61 0.24 1.61 0.15 -1.26 -5.18 113.70 108.64 2ee9 s SER 2 Ca 0.00 0.81 -0.08 0.00 0.70 0.00 0.00 55.95 57.38 2ee9 s SER 2 Cb 0.00 0.74 -0.02 0.00 -1.71 0.00 0.00 66.02 65.03 2ee9 s SER 2 CO 0.00 -0.49 0.37 -0.55 1.20 0.00 0.00 173.24 173.77 2ee9 s SER 3 N -0.78 0.05 0.00 5.45 0.15 -1.26 -5.17 113.70 112.14 2ee9 s SER 3 Ca -0.08 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2ee9 s SER 3 Cb -0.02 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2ee9 s SER 3 CO 0.07 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.06 2ee9 n GLY 4 N -0.36 -1.17 3.49 9.45 0.00 -1.26 -4.92 105.19 110.43 2ee9 n GLY 4 Ca -0.00 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 2ee9 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ee9 n SER 5 N 0.00 -0.64 -3.84 1.61 2.88 -1.26 -5.00 113.62 107.38 2ee9 n SER 5 Ca 0.00 0.79 -0.21 0.00 -1.33 0.00 0.00 58.87 58.12 2ee9 n SER 5 Cb 0.00 -1.20 -0.17 0.00 -0.75 0.00 0.00 64.21 62.09 2ee9 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ee9 s SER 6 N -1.11 1.16 0.00 -3.46 0.15 -1.26 -5.14 113.70 104.04 2ee9 s SER 6 Ca 0.68 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2ee9 s SER 6 Cb -0.47 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 2ee9 s SER 6 CO 0.54 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.48 2ee9 n GLY 7 N 4.51 5.37 2.90 9.45 0.00 -1.26 -4.74 105.19 121.41 2ee9 n GLY 7 Ca -0.18 -1.94 -0.20 0.00 0.00 0.00 0.00 46.02 43.71 2ee9 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ee9 n VAL 8 N 0.00 0.00 -3.13 1.61 0.24 -1.26 -4.77 118.33 111.02 2ee9 n VAL 8 Ca 0.00 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.85 2ee9 n VAL 8 Cb 0.00 -0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.11 2ee9 n VAL 8 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2ee9 s SER 9 N -2.03 6.49 -0.11 -1.34 0.01 -1.26 -5.02 113.70 110.44 2ee9 s SER 9 Ca 0.39 -2.01 0.02 0.00 1.31 0.00 0.00 55.95 55.65 2ee9 s SER 9 Cb -0.22 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2ee9 s SER 9 CO 0.47 -0.93 -0.17 -1.81 0.41 0.00 0.00 173.24 171.22 2ee9 s ASP 10 N 3.18 3.72 -0.03 2.44 1.01 -1.26 -5.12 116.67 120.60 2ee9 s ASP 10 Ca 0.19 -0.39 0.04 0.00 0.71 0.00 0.00 52.55 53.10 2ee9 s ASP 10 Cb -0.14 -1.47 -0.03 0.00 1.01 0.00 0.00 42.92 42.29 2ee9 s ASP 10 CO -0.03 0.18 -0.13 -0.04 0.21 0.00 0.00 175.17 175.36 2ee9 s MET 11 N 0.25 2.47 0.48 8.23 -1.94 -1.26 -5.12 119.30 122.41 2ee9 s MET 11 Ca -0.11 -0.72 -0.17 0.00 -1.71 0.00 0.00 55.69 52.98 2ee9 s MET 11 Cb -0.16 -2.39 -0.08 0.00 2.01 0.00 0.00 34.83 34.20 2ee9 s MET 11 CO 0.06 0.61 0.94 1.21 -0.01 0.00 0.00 175.02 177.84 2ee9 s ASN 12 N -0.95 6.68 0.00 3.03 2.47 -1.26 -4.74 114.94 120.17 2ee9 s ASN 12 Ca 0.13 1.53 0.00 0.00 0.42 0.00 0.00 52.86 54.94 2ee9 s ASN 12 Cb -0.11 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 2ee9 s ASN 12 CO 0.02 -0.51 0.00 0.61 -3.72 0.00 0.00 177.10 173.51 2ee9 n GLY 13 N -1.32 -0.63 0.31 1.21 0.00 -1.26 -4.93 105.19 98.57 2ee9 n GLY 13 Ca 0.06 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.86 2ee9 n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ee9 h LEU 14 N 0.00 -0.16 0.00 0.99 3.38 -2.05 -3.43 115.31 114.04 2ee9 h LEU 14 Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2ee9 h LEU 14 Cb 0.00 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2ee9 h LEU 14 CO 0.00 -0.21 0.00 0.61 0.09 0.00 0.00 178.44 178.93 2ee9 n GLY 15 N -1.41 4.79 3.47 0.83 0.00 -1.26 -5.08 105.19 106.53 2ee9 n GLY 15 Ca 0.21 -1.14 -0.48 0.00 0.00 0.00 0.00 46.02 44.60 2ee9 n GLY 15 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ee9 n PHE 16 N 0.00 0.17 -2.24 1.61 3.72 -1.26 -4.86 117.46 114.59 2ee9 n PHE 16 Ca 0.00 0.89 -0.40 0.00 -0.05 0.00 0.00 57.45 57.89 2ee9 n PHE 16 Cb 0.00 -2.07 -0.03 0.00 -0.94 0.00 0.00 39.48 36.45 2ee9 n PHE 16 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2ee9 s LYS 17 N -0.97 4.38 0.69 -1.08 2.20 -1.26 -4.88 119.74 118.83 2ee9 s LYS 17 Ca 0.66 2.05 -0.14 0.00 -0.36 0.00 0.00 55.97 58.18 2ee9 s LYS 17 Cb -0.91 -3.04 0.01 0.00 -1.51 0.00 0.00 37.83 32.39 2ee9 s LYS 17 CO 0.57 -0.10 1.11 -1.25 -0.36 0.00 0.00 175.35 175.31 2ee9 s PRO 18 N -1.78 2.66 -0.33 4.03 0.04 -1.26 -4.73 135.00 133.64 2ee9 s PRO 18 Ca 0.49 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.90 2ee9 s PRO 18 Cb -0.36 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.34 2ee9 s PRO 18 CO 0.48 -1.35 0.05 0.12 0.04 0.00 0.00 177.00 176.33 2ee9 s PHE 19 N -2.48 3.32 -0.07 0.56 5.36 -1.26 -5.05 117.98 118.37 2ee9 s PHE 19 Ca 0.65 -2.71 -0.11 0.00 -0.96 0.00 0.00 56.93 53.81 2ee9 s PHE 19 Cb -0.20 -2.62 -0.05 0.00 -0.34 0.00 0.00 43.02 39.82 2ee9 s PHE 19 CO 0.45 -0.93 0.27 0.34 -1.46 0.00 0.00 175.22 173.90 2ee9 s ASP 20 N 1.06 6.58 -0.02 6.13 2.15 -1.26 -3.02 116.67 128.29 2ee9 s ASP 20 Ca 0.09 0.69 -0.07 0.00 0.43 0.00 0.00 52.55 53.70 2ee9 s ASP 20 Cb -0.19 -2.16 0.01 0.00 -0.30 0.00 0.00 42.92 40.28 2ee9 s ASP 20 CO -0.11 0.35 0.15 -0.22 -0.17 0.00 0.00 175.17 175.16 2ee9 s LEU 21 N -0.92 1.48 -0.06 -1.34 0.20 -0.00 -4.99 118.68 113.05 2ee9 s LEU 21 Ca 0.19 0.00 0.05 0.00 0.69 0.00 0.00 54.13 55.06 2ee9 s LEU 21 Cb -0.14 0.63 -0.01 0.00 -0.43 0.00 0.00 46.19 46.25 2ee9 s LEU 21 CO 0.08 -0.25 -0.23 0.54 -0.29 0.00 0.00 176.35 176.20 2ee9 s VAL 22 N -0.82 1.87 0.21 1.68 0.11 -1.26 0.13 120.40 122.32 2ee9 s VAL 22 Ca -0.09 -0.96 -0.30 0.00 -2.93 0.00 0.00 61.98 57.70 2ee9 s VAL 22 Cb -0.05 -1.59 -0.09 0.00 -1.53 0.00 0.00 36.38 33.12 2ee9 s VAL 22 CO 0.01 0.52 1.25 -0.63 -3.33 0.00 0.00 175.10 172.93 2ee9 s ILE 23 N -0.07 3.31 -0.02 7.04 1.01 -1.22 -4.96 121.20 126.28 2ee9 s ILE 23 Ca -0.05 1.12 -0.26 0.00 0.00 0.00 0.00 60.65 61.47 2ee9 s ILE 23 Cb -0.13 -3.71 -0.20 0.00 0.01 0.00 0.00 42.46 38.42 2ee9 s ILE 23 CO 0.04 0.19 1.25 1.55 0.00 0.00 0.00 174.94 177.96 2ee9 h PRO 24 N 5.01 -0.03 -7.34 2.79 0.13 -1.99 -3.45 132.00 127.12 2ee9 h PRO 24 Ca -0.45 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.17 2ee9 h PRO 24 Cb 1.22 0.01 0.10 0.00 0.13 0.00 0.00 31.00 32.46 2ee9 h PRO 24 CO 0.74 0.45 0.36 -0.59 -0.23 0.00 0.00 178.00 178.73 2ee9 s PHE 25 N -4.24 2.98 0.24 1.56 -0.71 -1.26 -5.00 117.98 111.56 2ee9 s PHE 25 Ca -0.16 1.42 -0.30 0.00 -1.04 0.00 0.00 56.93 56.85 2ee9 s PHE 25 Cb 0.02 -2.94 -0.09 0.00 -1.21 0.00 0.00 43.02 38.80 2ee9 s PHE 25 CO 0.66 -1.40 1.17 0.00 -1.34 0.00 0.00 175.22 174.31 2ee9 s ALA 26 N -3.03 3.43 -0.16 1.99 0.00 -1.26 -4.96 121.76 117.77 2ee9 s ALA 26 Ca 0.59 0.96 -0.34 0.00 0.00 0.00 0.00 51.96 53.18 2ee9 s ALA 26 Cb -0.15 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 19.73 2ee9 s ALA 26 CO 0.55 -0.31 1.15 0.54 0.00 0.00 0.00 175.76 177.69 2ee9 s VAL 27 N -0.67 0.00 0.00 0.00 0.11 -1.26 -5.12 120.40 113.46 2ee9 s VAL 27 Ca 0.49 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 2ee9 s VAL 27 Cb -0.33 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 2ee9 s VAL 27 CO 0.40 0.00 0.00 0.54 -3.33 0.00 0.00 175.10 172.71 2ee9 n ARG 28 N -0.05 0.00 -3.60 1.54 5.12 -1.26 -4.33 116.66 114.07 2ee9 n ARG 28 Ca -0.02 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.87 2ee9 n ARG 28 Cb 0.59 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.87 2ee9 n ARG 28 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2ee9 s LYS 29 N -0.53 0.49 0.00 5.56 2.20 -1.26 -4.86 119.74 121.34 2ee9 s LYS 29 Ca 0.00 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 2ee9 s LYS 29 Cb 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 2ee9 s LYS 29 CO 0.00 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 2ee9 n GLY 30 N -0.27 1.20 2.10 5.54 0.00 -1.26 -4.86 105.19 107.65 2ee9 n GLY 30 Ca -0.04 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 2ee9 n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ee9 n GLU 31 N 0.00 2.30 -4.39 1.61 -0.58 -1.26 -4.95 120.64 113.36 2ee9 n GLU 31 Ca 0.00 -3.11 -0.32 0.00 -0.42 0.00 0.00 57.16 53.31 2ee9 n GLU 31 Cb 0.00 -2.15 -0.10 0.00 -0.57 0.00 0.00 31.44 28.62 2ee9 n GLU 31 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2ee9 s ILE 32 N -3.60 3.70 0.34 -3.67 2.07 -1.26 -0.25 121.20 118.53 2ee9 s ILE 32 Ca 0.57 -0.82 -0.03 0.00 -1.41 0.00 0.00 60.65 58.95 2ee9 s ILE 32 Cb 0.47 -2.64 0.00 0.00 0.13 0.00 0.00 42.46 40.43 2ee9 s ILE 32 CO 0.07 0.34 0.48 0.42 -1.91 0.00 0.00 174.94 174.35 2ee9 s THR 33 N -1.05 0.00 0.11 4.00 -4.23 -0.91 -5.03 115.64 108.54 2ee9 s THR 33 Ca 0.18 -1.57 -0.24 0.00 -1.18 0.00 0.00 61.69 58.89 2ee9 s THR 33 Cb -0.11 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.17 2ee9 s THR 33 CO 0.09 0.00 0.59 -0.83 -0.54 0.00 0.00 174.62 173.93 2ee9 s GLY 34 N -3.22 -0.57 0.05 3.99 0.00 -1.26 -2.75 107.32 103.56 2ee9 s GLY 34 Ca 0.30 0.59 -0.12 0.00 0.00 0.00 0.00 44.72 45.49 2ee9 s GLY 34 CO 0.19 0.26 0.26 1.85 0.00 0.00 0.00 173.10 175.66 2ee9 s GLU 35 N -3.22 0.79 -0.09 2.90 2.12 0.80 -4.20 118.70 117.79 2ee9 s GLU 35 Ca -0.01 -0.62 -0.00 0.00 0.36 0.00 0.00 54.97 54.70 2ee9 s GLU 35 Cb -0.01 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.74 2ee9 s GLU 35 CO -0.08 -0.25 -0.05 0.08 -0.54 0.00 0.00 175.26 174.41 2ee9 s VAL 36 N -2.79 0.79 -0.67 3.70 1.01 0.29 -0.27 120.40 122.46 2ee9 s VAL 36 Ca -0.03 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 2ee9 s VAL 36 Cb -0.00 -0.84 0.15 0.00 0.00 0.00 0.00 36.38 35.69 2ee9 s VAL 36 CO -0.05 0.32 0.68 -1.00 0.00 0.00 0.00 175.10 175.05 2ee9 s HIS 37 N 1.61 3.33 0.67 5.22 3.76 0.40 -1.73 115.29 128.55 2ee9 s HIS 37 Ca 0.02 -1.42 -0.17 0.00 -0.15 0.00 0.00 55.06 53.33 2ee9 s HIS 37 Cb -0.13 -3.90 0.01 0.00 1.11 0.00 0.00 32.58 29.67 2ee9 s HIS 37 CO -0.05 -1.11 1.25 -1.64 -0.85 0.00 0.00 174.74 172.33 2ee9 s MET 38 N 1.53 2.44 0.34 1.40 -1.94 -0.93 -2.72 119.30 119.42 2ee9 s MET 38 Ca 0.12 1.91 0.14 0.00 -1.71 0.00 0.00 55.69 56.15 2ee9 s MET 38 Cb -0.21 -1.85 0.62 0.00 2.01 0.00 0.00 34.83 35.40 2ee9 s MET 38 CO -0.01 -1.64 1.75 -1.00 -0.01 0.00 0.00 175.02 174.11 2ee9 h PRO 39 N 0.26 0.00 0.00 2.03 0.13 -1.87 -2.78 132.00 129.77 2ee9 h PRO 39 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2ee9 h PRO 39 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2ee9 h PRO 39 CO 0.52 0.45 -0.10 0.77 -0.23 0.00 0.00 178.00 179.41 2ee9 h SER 40 N 0.00 0.00 0.00 1.44 0.02 -1.89 -3.46 113.55 109.66 2ee9 h SER 40 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ee9 h SER 40 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2ee9 h SER 40 CO 0.06 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 2ee9 n GLY 41 N -0.04 1.78 2.21 -3.77 0.00 -1.05 -5.14 105.19 99.18 2ee9 n GLY 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2ee9 n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ee9 n LYS 42 N -0.55 0.94 -3.87 1.61 4.76 -1.25 -4.96 118.16 114.84 2ee9 n LYS 42 Ca 0.00 -1.92 -0.11 0.00 -2.87 0.00 0.00 58.31 53.40 2ee9 n LYS 42 Cb 0.00 0.10 -0.11 0.00 -1.84 0.00 0.00 35.03 33.19 2ee9 n LYS 42 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2ee9 s THR 43 N -1.41 0.07 -0.19 -0.18 -4.23 -1.26 -2.19 115.64 106.25 2ee9 s THR 43 Ca 0.23 -0.55 -0.27 0.00 -1.18 0.00 0.00 61.69 59.92 2ee9 s THR 43 Cb -0.02 -0.37 0.08 0.00 1.34 0.00 0.00 72.50 73.53 2ee9 s THR 43 CO 0.15 -0.30 0.76 0.00 -0.54 0.00 0.00 174.62 174.69 2ee9 s ALA 44 N -1.06 -1.81 0.05 3.99 0.00 -0.71 -4.98 121.76 117.24 2ee9 s ALA 44 Ca -0.12 1.75 -0.25 0.00 0.00 0.00 0.00 51.96 53.34 2ee9 s ALA 44 Cb -0.06 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 2ee9 s ALA 44 CO 0.01 -0.34 0.77 0.95 0.00 0.00 0.00 175.76 177.15 2ee9 s THR 45 N -0.26 4.73 0.93 0.00 -4.23 -1.26 0.10 115.64 115.65 2ee9 s THR 45 Ca -0.03 1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 61.99 2ee9 s THR 45 Cb -0.03 -4.12 0.15 0.00 1.34 0.00 0.00 72.50 69.84 2ee9 s THR 45 CO 0.03 0.36 1.09 -2.16 -0.54 0.00 0.00 174.62 173.41 2ee9 s PRO 46 N -0.06 1.02 0.14 3.99 0.04 -1.26 -4.91 135.00 133.95 2ee9 s PRO 46 Ca 0.39 0.73 -0.22 0.00 0.04 0.00 0.00 61.00 61.94 2ee9 s PRO 46 Cb -0.21 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 2ee9 s PRO 46 CO 0.23 -2.38 0.68 -2.00 0.04 0.00 0.00 177.00 173.57 2ee9 s GLU 47 N -4.94 4.36 -0.13 4.56 -6.30 0.12 -4.92 118.70 111.44 2ee9 s GLU 47 Ca 0.64 0.93 -0.01 0.00 -2.50 0.00 0.00 54.97 54.03 2ee9 s GLU 47 Cb -0.18 -3.19 0.04 0.00 0.00 0.00 0.00 34.13 30.79 2ee9 s GLU 47 CO 0.57 0.57 -0.03 0.42 0.02 0.00 0.00 175.26 176.82 2ee9 s ILE 48 N -1.19 0.80 -0.02 -3.70 1.01 -1.26 -2.46 121.20 114.38 2ee9 s ILE 48 Ca 0.34 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.72 2ee9 s ILE 48 Cb -0.21 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 2ee9 s ILE 48 CO 0.22 0.16 -0.21 -0.69 0.00 0.00 0.00 174.94 174.42 2ee9 s VAL 49 N 1.78 1.67 -0.54 2.92 1.01 -1.20 -4.98 120.40 121.05 2ee9 s VAL 49 Ca 0.03 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 2ee9 s VAL 49 Cb -0.14 -1.39 0.14 0.00 0.00 0.00 0.00 36.38 34.99 2ee9 s VAL 49 CO -0.07 0.47 0.45 -0.62 0.00 0.00 0.00 175.10 175.33 2ee9 s ASP 50 N -0.50 5.96 0.96 3.32 -1.08 -1.26 -1.58 116.67 122.49 2ee9 s ASP 50 Ca 0.08 -1.99 -0.12 0.00 -0.52 0.00 0.00 52.55 50.00 2ee9 s ASP 50 Cb -0.08 -2.09 0.09 0.00 -1.46 0.00 0.00 42.92 39.37 2ee9 s ASP 50 CO -0.01 -0.73 0.65 0.59 0.52 0.00 0.00 175.17 176.20 2ee9 n ASN 51 N 4.87 -1.29 -1.33 -0.34 3.02 -0.74 -4.84 115.26 114.60 2ee9 n ASN 51 Ca -0.07 0.31 -0.06 0.00 -0.03 0.00 0.00 54.58 54.73 2ee9 n ASN 51 Cb 0.41 -1.28 0.04 0.00 -0.61 0.00 0.00 39.78 38.33 2ee9 n ASN 51 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ee9 n LYS 52 N -2.72 1.30 0.00 3.52 4.76 -1.26 -3.34 118.16 120.42 2ee9 n LYS 52 Ca 0.08 -0.70 0.00 0.00 -2.87 0.00 0.00 58.31 54.82 2ee9 n LYS 52 Cb 0.54 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 2ee9 n LYS 52 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ee9 n ASP 53 N 0.22 3.86 0.00 4.39 2.03 -1.26 -5.03 116.55 120.76 2ee9 n ASP 53 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2ee9 n ASP 53 Cb 0.74 0.57 0.00 0.00 -0.72 0.00 0.00 41.12 41.72 2ee9 n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ee9 n GLY 54 N 2.19 1.93 3.62 0.27 0.00 -1.21 -5.14 105.19 106.85 2ee9 n GLY 54 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2ee9 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ee9 s THR 55 N -2.00 0.82 0.19 2.61 -4.23 -1.26 -4.36 115.64 107.40 2ee9 s THR 55 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 2ee9 s THR 55 Cb 0.00 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2ee9 s THR 55 CO 0.00 0.00 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.22 2ee9 s VAL 56 N -3.07 1.84 -0.29 2.29 1.01 -1.26 -1.79 120.40 119.14 2ee9 s VAL 56 Ca 0.16 -2.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.08 2ee9 s VAL 56 Cb 0.02 -1.94 0.09 0.00 0.00 0.00 0.00 36.38 34.55 2ee9 s VAL 56 CO 0.10 -0.41 0.08 -0.89 0.00 0.00 0.00 175.10 173.97 2ee9 s THR 57 N -2.38 0.96 -0.41 3.92 2.01 -0.61 -3.44 115.64 115.69 2ee9 s THR 57 Ca 0.19 -1.33 -0.26 0.00 0.31 0.00 0.00 61.69 60.59 2ee9 s THR 57 Cb -0.04 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.83 2ee9 s THR 57 CO 0.07 -0.57 0.97 -0.69 -0.69 0.00 0.00 174.62 173.71 2ee9 s VAL 58 N 1.59 4.49 0.15 3.82 1.01 0.34 -3.28 120.40 128.52 2ee9 s VAL 58 Ca 0.07 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.22 2ee9 s VAL 58 Cb -0.17 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2ee9 s VAL 58 CO -0.21 -0.70 -0.17 -0.60 0.00 0.00 0.00 175.10 173.43 2ee9 s ARG 59 N 3.73 1.20 -0.27 2.72 3.52 -1.03 -0.82 118.95 127.99 2ee9 s ARG 59 Ca 0.40 -1.36 -0.04 0.00 -0.13 0.00 0.00 55.73 54.59 2ee9 s ARG 59 Cb -0.11 -1.18 0.15 0.00 -1.56 0.00 0.00 34.95 32.25 2ee9 s ARG 59 CO 0.23 0.23 0.53 -0.47 -0.81 0.00 0.00 175.30 175.01 2ee9 s TYR 60 N -2.13 -1.24 -0.41 5.12 5.04 -1.17 0.12 117.35 122.69 2ee9 s TYR 60 Ca 0.14 1.58 -0.28 0.00 -2.44 0.00 0.00 57.07 56.07 2ee9 s TYR 60 Cb -0.05 0.44 0.02 0.00 0.35 0.00 0.00 41.96 42.72 2ee9 s TYR 60 CO 0.05 -0.74 1.08 0.00 -1.34 0.00 0.00 175.55 174.60 2ee9 s ALA 61 N 2.75 3.30 0.03 3.97 0.00 -1.26 -4.03 121.76 126.52 2ee9 s ALA 61 Ca 0.10 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 2ee9 s ALA 61 Cb -0.14 -3.76 -0.06 0.00 0.00 0.00 0.00 23.12 19.15 2ee9 s ALA 61 CO -0.18 -1.92 1.43 -1.25 0.00 0.00 0.00 175.76 173.84 2ee9 s PRO 62 N 4.03 4.28 -0.16 0.00 0.04 -1.26 -4.93 135.00 137.00 2ee9 s PRO 62 Ca 0.45 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.51 2ee9 s PRO 62 Cb -0.10 -3.51 -0.23 0.00 0.04 0.00 0.00 34.50 30.70 2ee9 s PRO 62 CO 0.25 -0.56 0.19 2.41 0.04 0.00 0.00 177.00 179.32 2ee9 n THR 63 N 4.53 1.66 -4.37 1.26 -1.04 -1.26 -4.70 114.28 110.35 2ee9 n THR 63 Ca 0.13 -0.65 -0.26 0.00 -2.04 0.00 0.00 64.05 61.23 2ee9 n THR 63 Cb 0.43 -1.51 -0.09 0.00 -1.82 0.00 0.00 70.33 67.34 2ee9 n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ee9 s GLU 64 N -2.55 2.06 0.15 -2.82 2.02 -1.26 -5.04 118.70 111.27 2ee9 s GLU 64 Ca -0.24 -1.88 -0.08 0.00 0.02 0.00 0.00 54.97 52.79 2ee9 s GLU 64 Cb 0.07 -1.85 -0.06 0.00 0.10 0.00 0.00 34.13 32.39 2ee9 s GLU 64 CO 0.72 0.03 0.45 0.14 0.02 0.00 0.00 175.26 176.62 2ee9 s VAL 65 N -2.59 5.06 -4.65 2.63 -7.23 -1.26 -4.86 120.40 107.49 2ee9 s VAL 65 Ca 0.36 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.85 2ee9 s VAL 65 Cb 0.04 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.34 2ee9 s VAL 65 CO 0.20 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 2ee9 n GLY 66 N 0.26 0.91 3.57 2.32 0.00 -1.22 -4.87 105.19 106.17 2ee9 n GLY 66 Ca -0.03 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 2ee9 n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ee9 s LEU 67 N 0.00 3.92 -0.14 0.99 2.96 -1.26 -0.37 118.68 124.77 2ee9 s LEU 67 Ca 0.00 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2ee9 s LEU 67 Cb 0.00 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 2ee9 s LEU 67 CO 0.00 -0.02 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.90 2ee9 s HIS 68 N 1.58 2.86 -0.22 5.38 3.76 -0.96 -3.07 115.29 124.62 2ee9 s HIS 68 Ca 0.07 -0.63 -0.04 0.00 -0.15 0.00 0.00 55.06 54.31 2ee9 s HIS 68 Cb -0.15 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.64 2ee9 s HIS 68 CO 0.08 -0.22 -0.04 -2.00 -0.85 0.00 0.00 174.74 171.71 2ee9 s GLU 69 N 0.48 3.35 0.06 1.40 2.12 -1.10 -1.80 118.70 123.21 2ee9 s GLU 69 Ca -0.08 -0.64 -0.06 0.00 0.36 0.00 0.00 54.97 54.55 2ee9 s GLU 69 Cb -0.15 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2ee9 s GLU 69 CO 0.04 -0.21 0.32 1.41 -0.54 0.00 0.00 175.26 176.28 2ee9 s MET 70 N 1.47 3.61 -0.12 4.30 -2.45 -0.99 -0.45 119.30 124.67 2ee9 s MET 70 Ca 0.06 -0.07 -0.02 0.00 -1.25 0.00 0.00 55.69 54.40 2ee9 s MET 70 Cb -0.14 -3.00 0.04 0.00 1.25 0.00 0.00 34.83 32.98 2ee9 s MET 70 CO -0.03 0.58 0.03 -1.01 1.05 0.00 0.00 175.02 175.64 2ee9 s HIS 71 N -1.43 0.67 -0.01 4.11 3.76 0.62 -2.26 115.29 120.75 2ee9 s HIS 71 Ca 0.33 -0.38 0.06 0.00 -0.15 0.00 0.00 55.06 54.92 2ee9 s HIS 71 Cb -0.13 -0.84 -0.02 0.00 1.11 0.00 0.00 32.58 32.71 2ee9 s HIS 71 CO 0.20 -0.44 -0.20 0.42 -0.85 0.00 0.00 174.74 173.87 2ee9 s ILE 72 N 1.97 1.60 -0.01 0.60 1.01 -1.26 -0.14 121.20 124.97 2ee9 s ILE 72 Ca 0.03 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2ee9 s ILE 72 Cb -0.14 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 2ee9 s ILE 72 CO -0.06 0.44 -0.08 -0.54 0.00 0.00 0.00 174.94 174.70 2ee9 s LYS 73 N -0.50 0.70 -0.16 2.79 1.02 -1.11 -3.46 119.74 119.02 2ee9 s LYS 73 Ca 0.08 -0.28 -0.01 0.00 0.02 0.00 0.00 55.97 55.77 2ee9 s LYS 73 Cb -0.08 -0.68 -0.01 0.00 -0.52 0.00 0.00 37.83 36.54 2ee9 s LYS 73 CO -0.01 0.15 -0.11 -0.47 -0.92 0.00 0.00 175.35 174.00 2ee9 s TYR 74 N -0.09 2.85 -1.49 3.18 5.04 0.52 -2.13 117.35 125.24 2ee9 s TYR 74 Ca 0.02 -0.83 -0.12 0.00 -2.44 0.00 0.00 57.07 53.70 2ee9 s TYR 74 Cb -0.04 -1.93 0.08 0.00 0.35 0.00 0.00 41.96 40.41 2ee9 s TYR 74 CO -0.00 -0.37 0.83 -1.33 -1.34 0.00 0.00 175.55 173.34 2ee9 n MET 75 N 4.01 -4.92 -2.46 4.97 2.81 0.65 -0.74 117.12 121.44 2ee9 n MET 75 Ca -0.18 0.60 -0.11 0.00 -1.81 0.00 0.00 57.70 56.19 2ee9 n MET 75 Cb 0.52 -5.44 0.01 0.00 -0.71 0.00 0.00 33.22 27.59 2ee9 n MET 75 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ee9 n GLY 76 N -1.55 -0.01 2.97 3.03 0.00 -1.26 -5.02 105.19 103.35 2ee9 n GLY 76 Ca 0.02 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 2ee9 n GLY 76 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ee9 s SER 77 N -2.69 0.25 0.55 1.61 0.15 0.08 -5.14 113.70 108.52 2ee9 s SER 77 Ca 0.09 0.48 -0.21 0.00 0.70 0.00 0.00 55.95 57.02 2ee9 s SER 77 Cb -0.04 0.47 -0.06 0.00 -1.71 0.00 0.00 66.02 64.69 2ee9 s SER 77 CO 0.11 -0.21 1.14 1.41 1.20 0.00 0.00 173.24 176.89 2ee9 n HIS 78 N 4.95 1.52 -3.58 3.44 -0.00 -1.26 -0.35 115.22 119.95 2ee9 n HIS 78 Ca -0.13 0.45 -0.27 0.00 -0.00 0.00 0.00 57.72 57.78 2ee9 n HIS 78 Cb 0.51 -2.25 -0.03 0.00 -0.00 0.00 0.00 29.99 28.22 2ee9 n HIS 78 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 2ee9 s ILE 79 N -1.38 5.15 -2.00 1.59 -4.36 -1.23 -4.81 121.20 114.17 2ee9 s ILE 79 Ca 0.72 -0.30 0.11 0.00 -0.26 0.00 0.00 60.65 60.92 2ee9 s ILE 79 Cb -0.44 -3.75 0.30 0.00 1.25 0.00 0.00 42.46 39.82 2ee9 s ILE 79 CO 0.49 -0.27 1.07 -0.81 0.24 0.00 0.00 174.94 175.67 2ee9 n PRO 80 N -0.90 0.49 -0.00 0.37 -0.04 -1.26 -1.87 135.00 131.78 2ee9 n PRO 80 Ca -0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 2ee9 n PRO 80 Cb 0.54 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.57 2ee9 n PRO 80 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ee9 n GLU 81 N -0.84 1.37 -4.30 0.54 -0.58 -1.26 -5.01 120.64 110.55 2ee9 n GLU 81 Ca 0.08 -0.07 -0.16 0.00 -0.42 0.00 0.00 57.16 56.59 2ee9 n GLU 81 Cb 0.04 -1.25 -0.10 0.00 -0.57 0.00 0.00 31.44 29.56 2ee9 n GLU 81 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ee9 s SER 82 N -3.02 2.12 1.01 1.62 0.01 -0.78 -4.36 113.70 110.31 2ee9 s SER 82 Ca -0.00 -1.06 -0.12 0.00 1.31 0.00 0.00 55.95 56.08 2ee9 s SER 82 Cb 0.10 -0.06 0.20 0.00 0.21 0.00 0.00 66.02 66.46 2ee9 s SER 82 CO 0.58 -0.30 1.09 -2.16 0.41 0.00 0.00 173.24 172.86 2ee9 s PRO 83 N -3.73 0.31 0.12 12.44 0.04 -1.26 -4.42 135.00 138.50 2ee9 s PRO 83 Ca 0.21 0.49 -0.00 0.00 0.04 0.00 0.00 61.00 61.73 2ee9 s PRO 83 Cb 0.02 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2ee9 s PRO 83 CO 0.04 -2.81 0.03 -0.48 0.04 0.00 0.00 177.00 173.82 2ee9 s LEU 84 N -6.50 1.99 -0.05 -3.56 0.05 -0.96 -5.00 118.68 104.66 2ee9 s LEU 84 Ca 0.66 -1.16 0.01 0.00 0.05 0.00 0.00 54.13 53.69 2ee9 s LEU 84 Cb -0.19 0.20 0.02 0.00 -2.05 0.00 0.00 46.19 44.18 2ee9 s LEU 84 CO 0.58 -0.67 -0.05 -1.10 -0.55 0.00 0.00 176.35 174.56 2ee9 s GLN 85 N -3.99 0.95 -0.07 1.48 -0.21 -1.26 -2.35 119.66 114.21 2ee9 s GLN 85 Ca 0.20 -0.14 -0.03 0.00 0.02 0.00 0.00 55.36 55.42 2ee9 s GLN 85 Cb 0.07 -0.95 0.04 0.00 1.00 0.00 0.00 33.01 33.17 2ee9 s GLN 85 CO -0.00 -0.09 0.07 -0.59 -2.12 0.00 0.00 175.29 172.56 2ee9 s PHE 86 N 0.99 0.06 0.23 0.91 -0.71 -0.75 -5.00 117.98 113.71 2ee9 s PHE 86 Ca -0.10 0.19 -0.24 0.00 -1.04 0.00 0.00 56.93 55.74 2ee9 s PHE 86 Cb -0.14 -0.50 -0.09 0.00 -1.21 0.00 0.00 43.02 41.08 2ee9 s PHE 86 CO -0.00 -0.25 0.81 -0.47 -1.34 0.00 0.00 175.22 173.96 2ee9 s TYR 87 N 2.18 3.78 -0.38 3.49 5.04 -1.26 -2.26 117.35 127.93 2ee9 s TYR 87 Ca 0.04 1.60 -0.12 0.00 -2.44 0.00 0.00 57.07 56.15 2ee9 s TYR 87 Cb -0.13 -2.76 0.02 0.00 0.35 0.00 0.00 41.96 39.44 2ee9 s TYR 87 CO -0.04 0.38 0.24 0.08 -1.34 0.00 0.00 175.55 174.87 2ee9 s VAL 88 N -1.39 4.87 -0.18 3.14 1.01 0.51 -4.97 120.40 123.40 2ee9 s VAL 88 Ca 0.42 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2ee9 s VAL 88 Cb -0.20 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2ee9 s VAL 88 CO 0.24 -0.22 0.14 0.20 0.00 0.00 0.00 175.10 175.46 2ee9 s ASN 89 N 1.61 6.27 0.32 3.32 0.01 -1.26 -3.42 114.94 121.79 2ee9 s ASN 89 Ca 0.04 0.31 -0.29 0.00 -0.71 0.00 0.00 52.86 52.21 2ee9 s ASN 89 Cb -0.19 -2.09 -0.10 0.00 0.41 0.00 0.00 41.25 39.28 2ee9 s ASN 89 CO 0.08 0.24 1.24 -0.47 -1.51 0.00 0.00 177.10 176.68 2ee9 s TYR 90 N -0.03 3.20 -0.02 2.20 5.04 -1.26 -4.90 117.35 121.57 2ee9 s TYR 90 Ca 0.10 1.51 -0.30 0.00 -2.44 0.00 0.00 57.07 55.94 2ee9 s TYR 90 Cb -0.11 -3.55 -0.05 0.00 0.35 0.00 0.00 41.96 38.60 2ee9 s TYR 90 CO -0.00 -1.45 1.47 -1.25 -1.34 0.00 0.00 175.55 172.98 2ee9 s PRO 91 N -1.74 4.24 0.02 4.97 0.04 -1.26 -4.94 135.00 136.34 2ee9 s PRO 91 Ca 0.48 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.29 2ee9 s PRO 91 Cb -0.37 -3.69 -0.17 0.00 0.04 0.00 0.00 34.50 30.30 2ee9 s PRO 91 CO 0.49 -0.67 1.37 -2.95 0.04 0.00 0.00 177.00 175.27 2ee9 h ASN 92 N 8.32 -0.21 -5.83 6.66 -1.07 -1.93 -3.47 115.58 118.05 2ee9 h ASN 92 Ca -0.37 -0.21 -0.39 0.00 0.07 0.00 0.00 56.30 55.40 2ee9 h ASN 92 Cb 1.17 0.05 0.14 0.00 -2.07 0.00 0.00 38.32 37.61 2ee9 h ASN 92 CO 0.93 0.10 -0.70 -0.24 0.07 0.00 0.00 177.43 177.59 2ee9 n SER 93 N -5.07 -5.47 0.00 6.14 2.88 -1.26 -3.25 113.62 107.59 2ee9 n SER 93 Ca -0.09 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 2ee9 n SER 93 Cb 0.22 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 58.67 2ee9 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ee9 n GLY 94 N -1.83 1.83 0.57 0.46 0.00 -1.26 -5.35 105.19 99.60 2ee9 n GLY 94 Ca -0.05 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.00 2ee9 n GLY 94 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76