#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 4.16 -0.26 1.61 0.01 -1.26 -4.97 113.70 112.99 2ee9 s SER 2 Ca 0.00 -1.51 -0.16 0.00 1.31 0.00 0.00 55.95 55.59 2ee9 s SER 2 Cb 0.00 -1.28 -0.13 0.00 0.21 0.00 0.00 66.02 64.82 2ee9 s SER 2 CO 0.00 -0.29 -0.24 -1.54 0.41 0.00 0.00 173.24 171.57 2ee9 n SER 3 N 4.57 1.94 0.00 2.44 3.41 -1.26 -5.06 113.62 119.66 2ee9 n SER 3 Ca -0.07 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2ee9 n SER 3 Cb 0.43 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2ee9 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ee9 n GLY 4 N 1.30 3.58 3.15 5.00 0.00 -1.26 -5.12 105.19 111.83 2ee9 n GLY 4 Ca -0.48 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 2ee9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ee9 n SER 5 N 0.00 -2.73 -4.52 1.61 7.64 -1.26 -4.96 113.62 109.41 2ee9 n SER 5 Ca 0.00 -0.25 -0.29 0.00 1.01 0.00 0.00 58.87 59.34 2ee9 n SER 5 Cb 0.00 -0.85 0.18 0.00 -1.01 0.00 0.00 64.21 62.53 2ee9 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ee9 s SER 6 N -1.88 2.53 0.04 6.43 0.15 -1.26 -5.00 113.70 114.71 2ee9 s SER 6 Ca 0.47 0.95 -0.26 0.00 0.70 0.00 0.00 55.95 57.82 2ee9 s SER 6 Cb -0.08 -1.48 -0.05 0.00 -1.71 0.00 0.00 66.02 62.70 2ee9 s SER 6 CO 0.53 -3.16 0.80 -0.83 1.20 0.00 0.00 173.24 171.77 2ee9 s GLY 7 N -3.78 2.81 0.22 9.45 0.00 -1.26 -5.06 107.32 109.70 2ee9 s GLY 7 Ca 0.66 0.33 0.04 0.00 0.00 0.00 0.00 44.72 45.75 2ee9 s GLY 7 CO 0.56 1.18 0.35 -1.34 0.00 0.00 0.00 173.10 173.84 2ee9 s VAL 8 N 0.06 5.27 0.07 1.40 -7.23 -1.26 -5.12 120.40 113.58 2ee9 s VAL 8 Ca 0.40 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.58 2ee9 s VAL 8 Cb -0.21 -3.83 0.01 0.00 0.56 0.00 0.00 36.38 32.91 2ee9 s VAL 8 CO 0.24 -0.28 0.22 -0.94 -0.31 0.00 0.00 175.10 174.03 2ee9 s SER 9 N -3.79 0.04 0.30 4.85 1.04 -1.26 -5.10 113.70 109.78 2ee9 s SER 9 Ca 0.34 -0.46 -0.22 0.00 0.48 0.00 0.00 55.95 56.09 2ee9 s SER 9 Cb -0.10 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.26 2ee9 s SER 9 CO 0.29 -0.65 0.85 1.51 0.98 0.00 0.00 173.24 176.22 2ee9 s ASP 10 N -2.45 7.13 0.10 7.02 -4.77 -1.26 -4.97 116.67 117.47 2ee9 s ASP 10 Ca -0.00 1.62 -0.19 0.00 -3.30 0.00 0.00 52.55 50.67 2ee9 s ASP 10 Cb 0.02 -2.50 -0.04 0.00 -1.09 0.00 0.00 42.92 39.30 2ee9 s ASP 10 CO -0.07 -0.09 1.12 0.23 0.70 0.00 0.00 175.17 177.06 2ee9 n MET 11 N 0.35 -0.27 -5.15 2.11 2.81 -1.26 -4.26 117.12 111.44 2ee9 n MET 11 Ca 0.01 1.10 -0.31 0.00 -1.81 0.00 0.00 57.70 56.70 2ee9 n MET 11 Cb 0.51 -1.62 -0.17 0.00 -0.71 0.00 0.00 33.22 31.23 2ee9 n MET 11 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2ee9 s ASN 12 N -4.89 2.91 0.08 7.83 2.20 -1.26 -5.13 114.94 116.68 2ee9 s ASN 12 Ca -0.07 -0.51 -0.13 0.00 -0.94 0.00 0.00 52.86 51.21 2ee9 s ASN 12 Cb 0.07 -1.12 -0.06 0.00 -2.00 0.00 0.00 41.25 38.14 2ee9 s ASN 12 CO 0.38 0.18 0.46 -0.83 -2.94 0.00 0.00 177.10 174.35 2ee9 s GLY 13 N 0.18 2.44 0.28 0.45 0.00 -1.26 -4.99 107.32 104.42 2ee9 s GLY 13 Ca -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.35 2ee9 s GLY 13 CO 0.06 0.07 1.85 1.41 0.00 0.00 0.00 173.10 176.49 2ee9 h LEU 14 N 3.98 0.85 0.00 0.66 -0.00 -1.99 -3.45 115.31 115.36 2ee9 h LEU 14 Ca -0.50 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 2ee9 h LEU 14 Cb 1.20 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 2ee9 h LEU 14 CO 0.65 0.77 0.00 0.61 -0.00 0.00 0.00 178.44 180.47 2ee9 n GLY 15 N -0.97 -0.50 2.94 0.83 0.00 -1.26 -5.14 105.19 101.08 2ee9 n GLY 15 Ca 0.05 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 2ee9 n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ee9 s PHE 16 N -2.00 0.34 0.16 1.61 0.08 -1.25 -4.95 117.98 111.96 2ee9 s PHE 16 Ca 0.00 -0.11 -0.31 0.00 0.12 0.00 0.00 56.93 56.63 2ee9 s PHE 16 Cb 0.00 -0.22 -0.17 0.00 -0.57 0.00 0.00 43.02 42.06 2ee9 s PHE 16 CO 0.00 -0.02 0.69 1.17 -0.10 0.00 0.00 175.22 176.96 2ee9 n LYS 17 N 2.82 0.11 -1.90 0.44 4.81 -1.26 -4.53 118.16 118.64 2ee9 n LYS 17 Ca -0.14 0.04 -0.34 0.00 -0.87 0.00 0.00 58.31 57.01 2ee9 n LYS 17 Cb 0.58 -1.19 0.03 0.00 0.02 0.00 0.00 35.03 34.48 2ee9 n LYS 17 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2ee9 s PRO 18 N -0.78 2.96 -0.38 1.64 0.04 -1.26 -4.45 135.00 132.78 2ee9 s PRO 18 Ca 0.70 1.45 0.03 0.00 0.04 0.00 0.00 61.00 63.23 2ee9 s PRO 18 Cb -0.99 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 31.69 2ee9 s PRO 18 CO 0.56 -1.13 0.10 0.12 0.04 0.00 0.00 177.00 176.69 2ee9 s PHE 19 N -2.17 3.66 -0.05 0.56 5.36 -1.23 -5.01 117.98 119.10 2ee9 s PHE 19 Ca 0.69 -2.99 -0.11 0.00 -0.96 0.00 0.00 56.93 53.55 2ee9 s PHE 19 Cb -0.21 -2.94 -0.05 0.00 -0.34 0.00 0.00 43.02 39.48 2ee9 s PHE 19 CO 0.37 -0.92 0.30 0.16 -1.46 0.00 0.00 175.22 173.67 2ee9 s ASP 20 N 0.79 6.64 -0.04 6.13 -4.77 -1.26 -1.98 116.67 122.17 2ee9 s ASP 20 Ca 0.12 0.76 -0.03 0.00 -3.30 0.00 0.00 52.55 50.09 2ee9 s ASP 20 Cb -0.20 -2.17 0.01 0.00 -1.09 0.00 0.00 42.92 39.46 2ee9 s ASP 20 CO -0.06 0.36 0.10 -0.22 0.70 0.00 0.00 175.17 176.04 2ee9 s LEU 21 N -1.09 1.52 -0.17 2.11 0.20 -0.91 -4.69 118.68 115.65 2ee9 s LEU 21 Ca 0.20 0.20 0.01 0.00 0.69 0.00 0.00 54.13 55.24 2ee9 s LEU 21 Cb -0.15 0.32 0.01 0.00 -0.43 0.00 0.00 46.19 45.95 2ee9 s LEU 21 CO 0.10 -0.05 -0.20 0.54 -0.29 0.00 0.00 176.35 176.45 2ee9 s VAL 22 N 0.20 2.15 0.32 1.68 0.11 -1.26 0.19 120.40 123.79 2ee9 s VAL 22 Ca -0.01 -0.93 -0.29 0.00 -2.93 0.00 0.00 61.98 57.82 2ee9 s VAL 22 Cb -0.02 -1.89 -0.10 0.00 -1.53 0.00 0.00 36.38 32.83 2ee9 s VAL 22 CO -0.01 0.54 1.41 -0.63 -3.33 0.00 0.00 175.10 173.08 2ee9 s ILE 23 N 1.10 2.47 0.03 7.04 1.01 -1.20 -4.86 121.20 126.79 2ee9 s ILE 23 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 60.65 60.89 2ee9 s ILE 23 Cb -0.14 -3.29 -0.16 0.00 0.01 0.00 0.00 42.46 38.89 2ee9 s ILE 23 CO -0.08 0.10 1.33 1.55 0.00 0.00 0.00 174.94 177.84 2ee9 h PRO 24 N 3.74 0.28 -7.31 2.79 0.13 -1.99 -3.46 132.00 126.19 2ee9 h PRO 24 Ca -0.49 -0.15 -0.46 0.00 -0.87 0.00 0.00 66.00 64.04 2ee9 h PRO 24 Cb 1.23 0.01 0.08 0.00 0.13 0.00 0.00 31.00 32.44 2ee9 h PRO 24 CO 0.69 0.69 0.23 -0.59 -0.23 0.00 0.00 178.00 178.79 2ee9 s PHE 25 N -4.29 2.86 -0.25 1.56 -0.71 -1.26 -5.06 117.98 110.83 2ee9 s PHE 25 Ca -0.14 0.42 -0.12 0.00 -1.04 0.00 0.00 56.93 56.04 2ee9 s PHE 25 Cb 0.04 -3.21 -0.05 0.00 -1.21 0.00 0.00 43.02 38.60 2ee9 s PHE 25 CO 0.74 -1.45 0.25 0.00 -1.34 0.00 0.00 175.22 173.42 2ee9 s ALA 26 N -3.26 3.57 0.24 1.99 0.00 -1.26 -4.85 121.76 118.18 2ee9 s ALA 26 Ca 0.61 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.78 2ee9 s ALA 26 Cb -0.10 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 2ee9 s ALA 26 CO 0.45 -0.41 -0.15 0.54 0.00 0.00 0.00 175.76 176.18 2ee9 s VAL 27 N 1.52 1.98 -0.11 0.00 0.11 -1.26 -5.14 120.40 117.49 2ee9 s VAL 27 Ca 0.11 -2.27 0.00 0.00 -2.93 0.00 0.00 61.98 56.89 2ee9 s VAL 27 Cb -0.15 -2.18 -0.02 0.00 -1.53 0.00 0.00 36.38 32.50 2ee9 s VAL 27 CO 0.08 -0.49 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.11 2ee9 s ARG 28 N -3.61 3.20 -0.33 1.54 0.52 -1.26 -4.82 118.95 114.18 2ee9 s ARG 28 Ca 0.26 -0.66 -0.28 0.00 -0.52 0.00 0.00 55.73 54.53 2ee9 s ARG 28 Cb -0.02 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 2ee9 s ARG 28 CO 0.10 0.33 2.11 0.15 0.02 0.00 0.00 175.30 178.02 2ee9 s LYS 29 N 0.05 2.94 0.00 3.54 1.02 -1.26 -4.30 119.74 121.73 2ee9 s LYS 29 Ca -0.04 1.63 0.00 0.00 0.02 0.00 0.00 55.97 57.58 2ee9 s LYS 29 Cb -0.14 -4.37 0.00 0.00 -0.52 0.00 0.00 37.83 32.80 2ee9 s LYS 29 CO 0.04 -2.32 0.00 0.41 -0.92 0.00 0.00 175.35 172.56 2ee9 n GLY 30 N 5.71 -2.38 1.50 -3.33 0.00 -1.26 -4.96 105.19 100.47 2ee9 n GLY 30 Ca 0.28 0.82 -0.08 0.00 0.00 0.00 0.00 46.02 47.04 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 1.41 -4.40 1.61 1.02 -1.26 -4.85 120.64 114.17 2ee9 n GLU 31 Ca 0.00 -0.91 -0.28 0.00 -0.02 0.00 0.00 57.16 55.95 2ee9 n GLU 31 Cb 0.00 -1.36 -0.13 0.00 -0.02 0.00 0.00 31.44 29.94 2ee9 n GLU 31 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2ee9 s ILE 32 N -1.13 2.27 0.23 -3.67 2.07 -1.26 0.50 121.20 120.21 2ee9 s ILE 32 Ca 0.18 -1.83 -0.14 0.00 -1.41 0.00 0.00 60.65 57.44 2ee9 s ILE 32 Cb 0.14 -2.02 0.01 0.00 0.13 0.00 0.00 42.46 40.71 2ee9 s ILE 32 CO 0.02 0.03 0.48 0.42 -1.91 0.00 0.00 174.94 173.99 2ee9 s THR 33 N -1.23 0.02 0.05 4.00 -4.23 -0.87 -4.99 115.64 108.39 2ee9 s THR 33 Ca 0.16 -1.21 -0.18 0.00 -1.18 0.00 0.00 61.69 59.28 2ee9 s THR 33 Cb -0.09 -1.97 0.04 0.00 1.34 0.00 0.00 72.50 71.81 2ee9 s THR 33 CO 0.07 -0.07 0.41 -0.83 -0.54 0.00 0.00 174.62 173.66 2ee9 s GLY 34 N -2.96 -0.28 0.06 3.99 0.00 -1.26 -1.99 107.32 104.88 2ee9 s GLY 34 Ca 0.17 0.31 -0.05 0.00 0.00 0.00 0.00 44.72 45.15 2ee9 s GLY 34 CO 0.05 0.05 0.09 1.85 0.00 0.00 0.00 173.10 175.13 2ee9 s GLU 35 N -2.50 0.70 -0.03 2.90 2.12 -0.04 -4.33 118.70 117.51 2ee9 s GLU 35 Ca -0.05 -0.99 0.02 0.00 0.36 0.00 0.00 54.97 54.31 2ee9 s GLU 35 Cb -0.01 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.66 2ee9 s GLU 35 CO -0.03 -0.18 -0.08 0.08 -0.54 0.00 0.00 175.26 174.52 2ee9 s VAL 36 N -3.53 0.71 -0.25 3.70 1.01 0.60 -0.72 120.40 121.91 2ee9 s VAL 36 Ca 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 2ee9 s VAL 36 Cb 0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2ee9 s VAL 36 CO -0.09 0.24 0.06 -1.00 0.00 0.00 0.00 175.10 174.31 2ee9 s HIS 37 N 0.42 3.08 0.13 5.22 3.76 0.44 -1.42 115.29 126.92 2ee9 s HIS 37 Ca -0.06 -0.49 -0.15 0.00 -0.15 0.00 0.00 55.06 54.20 2ee9 s HIS 37 Cb -0.11 -2.23 -0.07 0.00 1.11 0.00 0.00 32.58 31.29 2ee9 s HIS 37 CO 0.01 -0.39 0.55 -1.64 -0.85 0.00 0.00 174.74 172.42 2ee9 s MET 38 N 1.60 4.02 0.47 1.40 -1.94 -0.11 -2.03 119.30 122.71 2ee9 s MET 38 Ca 0.06 0.54 0.25 0.00 -1.71 0.00 0.00 55.69 54.84 2ee9 s MET 38 Cb -0.15 -2.99 1.08 0.00 2.01 0.00 0.00 34.83 34.78 2ee9 s MET 38 CO 0.03 0.51 1.90 -1.00 -0.01 0.00 0.00 175.02 176.45 2ee9 h PRO 39 N 3.76 0.00 0.00 2.03 0.13 -1.85 -2.71 132.00 133.35 2ee9 h PRO 39 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2ee9 h PRO 39 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ee9 h PRO 39 CO 0.65 0.19 -0.11 1.03 -0.23 0.00 0.00 178.00 179.53 2ee9 h SER 40 N 0.00 0.00 0.00 1.44 0.87 -1.91 -3.46 113.55 110.49 2ee9 h SER 40 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ee9 h SER 40 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2ee9 h SER 40 CO 0.02 0.11 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 2ee9 n GLY 41 N 0.17 1.77 3.74 5.77 0.00 -1.02 -5.14 105.19 110.48 2ee9 n GLY 41 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2ee9 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ee9 s LYS 42 N -0.01 2.16 0.10 1.61 1.02 -1.25 -4.98 119.74 118.39 2ee9 s LYS 42 Ca 0.00 -2.09 0.04 0.00 0.02 0.00 0.00 55.97 53.94 2ee9 s LYS 42 Cb 0.00 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 2ee9 s LYS 42 CO 0.00 -0.24 -0.10 0.95 -0.92 0.00 0.00 175.35 175.04 2ee9 s THR 43 N -2.73 0.97 0.09 2.17 -4.23 -1.26 -0.93 115.64 109.72 2ee9 s THR 43 Ca 0.29 -1.67 -0.25 0.00 -1.18 0.00 0.00 61.69 58.88 2ee9 s THR 43 Cb 0.04 -1.40 0.08 0.00 1.34 0.00 0.00 72.50 72.56 2ee9 s THR 43 CO 0.16 -0.56 0.67 0.00 -0.54 0.00 0.00 174.62 174.34 2ee9 s ALA 44 N -2.48 -1.67 -0.05 3.99 0.00 -0.51 -4.96 121.76 116.07 2ee9 s ALA 44 Ca 0.06 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 2ee9 s ALA 44 Cb -0.03 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2ee9 s ALA 44 CO 0.00 -0.68 0.11 0.95 0.00 0.00 0.00 175.76 176.14 2ee9 s THR 45 N -3.17 5.07 1.04 0.00 -4.23 -1.26 0.22 115.64 113.31 2ee9 s THR 45 Ca -0.00 -0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.20 2ee9 s THR 45 Cb -0.01 -3.27 0.26 0.00 1.34 0.00 0.00 72.50 70.82 2ee9 s THR 45 CO -0.08 0.47 0.92 -0.81 -0.54 0.00 0.00 174.62 174.58 2ee9 n PRO 46 N 1.53 -2.82 -3.68 3.99 -0.04 -1.26 -4.90 135.00 127.82 2ee9 n PRO 46 Ca -0.16 -1.47 -0.39 0.00 -0.04 0.00 0.00 63.50 61.45 2ee9 n PRO 46 Cb 0.54 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 2ee9 n PRO 46 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ee9 s GLU 47 N -5.09 2.49 -0.48 0.54 2.12 0.34 -4.94 118.70 113.68 2ee9 s GLU 47 Ca 0.60 -1.46 -0.21 0.00 0.36 0.00 0.00 54.97 54.26 2ee9 s GLU 47 Cb -0.06 -3.64 0.04 0.00 0.26 0.00 0.00 34.13 30.73 2ee9 s GLU 47 CO 0.46 -0.90 0.67 0.42 -0.54 0.00 0.00 175.26 175.37 2ee9 s ILE 48 N 1.36 4.79 0.03 -3.70 1.01 -1.26 -1.11 121.20 122.31 2ee9 s ILE 48 Ca 0.02 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.67 2ee9 s ILE 48 Cb -0.22 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 2ee9 s ILE 48 CO 0.01 -0.74 -0.26 -0.69 0.00 0.00 0.00 174.94 173.25 2ee9 s VAL 49 N 2.89 2.10 -0.32 2.92 1.01 -0.79 -4.97 120.40 123.25 2ee9 s VAL 49 Ca 0.21 -1.31 -0.06 0.00 0.00 0.00 0.00 61.98 60.81 2ee9 s VAL 49 Cb -0.16 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.47 2ee9 s VAL 49 CO 0.16 0.42 0.09 -0.62 0.00 0.00 0.00 175.10 175.16 2ee9 s ASP 50 N -1.06 5.23 1.00 3.32 2.15 -1.26 -0.16 116.67 125.89 2ee9 s ASP 50 Ca 0.11 -1.02 -0.12 0.00 0.43 0.00 0.00 52.55 51.95 2ee9 s ASP 50 Cb -0.10 -1.87 0.14 0.00 -0.30 0.00 0.00 42.92 40.80 2ee9 s ASP 50 CO 0.01 -0.29 0.77 0.59 -0.17 0.00 0.00 175.17 176.09 2ee9 n ASN 51 N 4.82 -1.10 -1.16 -0.34 3.02 -0.51 -4.86 115.26 115.14 2ee9 n ASN 51 Ca -0.13 0.21 -0.03 0.00 -0.03 0.00 0.00 54.58 54.60 2ee9 n ASN 51 Cb 0.46 -1.30 0.08 0.00 -0.61 0.00 0.00 39.78 38.41 2ee9 n ASN 51 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2ee9 n LYS 52 N -3.40 1.68 0.03 3.52 3.00 -1.26 -3.98 118.16 117.75 2ee9 n LYS 52 Ca 0.07 -0.88 0.00 0.00 -0.00 0.00 0.00 58.31 57.50 2ee9 n LYS 52 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.07 2ee9 n LYS 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2ee9 n ASP 53 N 0.09 0.67 0.00 3.14 2.03 -1.26 -5.06 116.55 116.16 2ee9 n ASP 53 Ca 0.13 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2ee9 n ASP 53 Cb 0.71 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 3.28 0.00 2.95 0.27 0.00 -1.26 -5.18 105.19 105.26 2ee9 n GLY 54 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2ee9 n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ee9 n THR 55 N 0.00 0.00 -4.23 2.61 -2.24 -1.26 -4.84 114.28 104.31 2ee9 n THR 55 Ca 0.00 -1.83 -0.16 0.00 -2.27 0.00 0.00 64.05 59.80 2ee9 n THR 55 Cb 0.00 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.15 2ee9 n THR 55 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2ee9 s VAL 56 N -2.95 1.19 -0.05 2.28 1.01 -1.26 -1.42 120.40 119.19 2ee9 s VAL 56 Ca 0.30 -1.86 -0.01 0.00 0.00 0.00 0.00 61.98 60.40 2ee9 s VAL 56 Cb 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.77 2ee9 s VAL 56 CO 0.21 -0.60 0.02 -0.89 0.00 0.00 0.00 175.10 173.85 2ee9 s THR 57 N -2.74 0.18 -0.55 3.92 2.01 0.77 -3.22 115.64 116.02 2ee9 s THR 57 Ca 0.12 0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.16 2ee9 s THR 57 Cb -0.01 -0.36 0.10 0.00 0.01 0.00 0.00 72.50 72.24 2ee9 s THR 57 CO 0.01 0.21 0.58 -0.69 -0.69 0.00 0.00 174.62 174.05 2ee9 s VAL 58 N 1.85 5.02 0.01 3.82 1.01 0.13 -1.88 120.40 130.36 2ee9 s VAL 58 Ca 0.02 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.89 2ee9 s VAL 58 Cb -0.12 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2ee9 s VAL 58 CO -0.04 -0.93 -0.03 -0.60 0.00 0.00 0.00 175.10 173.50 2ee9 s ARG 59 N 2.15 2.65 -0.28 2.72 3.52 -0.27 -2.14 118.95 127.30 2ee9 s ARG 59 Ca 0.08 -0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 54.99 2ee9 s ARG 59 Cb -0.26 -2.58 0.17 0.00 -1.56 0.00 0.00 34.95 30.73 2ee9 s ARG 59 CO 0.06 0.61 0.52 -0.47 -0.81 0.00 0.00 175.30 175.20 2ee9 s TYR 60 N -1.06 -1.34 -0.22 5.12 5.04 -0.84 0.13 117.35 124.18 2ee9 s TYR 60 Ca 0.19 1.29 -0.29 0.00 -2.44 0.00 0.00 57.07 55.82 2ee9 s TYR 60 Cb -0.11 0.32 0.01 0.00 0.35 0.00 0.00 41.96 42.53 2ee9 s TYR 60 CO 0.09 -0.85 1.03 0.00 -1.34 0.00 0.00 175.55 174.48 2ee9 s ALA 61 N 2.74 3.67 0.14 3.97 0.00 -1.26 -3.58 121.76 127.44 2ee9 s ALA 61 Ca 0.17 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 2ee9 s ALA 61 Cb -0.15 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 2ee9 s ALA 61 CO -0.20 -1.02 1.35 -1.25 0.00 0.00 0.00 175.76 174.63 2ee9 s PRO 62 N 3.12 4.35 -0.16 0.00 0.04 -1.26 -4.94 135.00 136.16 2ee9 s PRO 62 Ca 0.44 2.04 0.13 0.00 0.04 0.00 0.00 61.00 63.65 2ee9 s PRO 62 Cb -0.15 -3.24 -0.24 0.00 0.04 0.00 0.00 34.50 30.91 2ee9 s PRO 62 CO 0.07 -0.36 0.21 2.41 0.04 0.00 0.00 177.00 179.37 2ee9 n THR 63 N 3.52 1.48 -4.42 1.26 -1.04 -1.26 -3.91 114.28 109.91 2ee9 n THR 63 Ca 0.10 -0.80 -0.29 0.00 -2.04 0.00 0.00 64.05 61.01 2ee9 n THR 63 Cb 0.43 -0.80 -0.06 0.00 -1.82 0.00 0.00 70.33 68.08 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 -2.53 2.19 0.30 -2.82 0.41 -1.26 -4.90 118.70 110.09 2ee9 s GLU 64 Ca -0.12 -2.18 0.06 0.00 -0.41 0.00 0.00 54.97 52.33 2ee9 s GLU 64 Cb 0.07 -1.76 -0.02 0.00 -1.78 0.00 0.00 34.13 30.64 2ee9 s GLU 64 CO 0.80 -0.34 0.36 0.14 -0.49 0.00 0.00 175.26 175.73 2ee9 s VAL 65 N -2.78 4.33 0.00 2.63 -7.23 -1.26 -4.90 120.40 111.19 2ee9 s VAL 65 Ca 0.22 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 2ee9 s VAL 65 Cb 0.02 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.48 2ee9 s VAL 65 CO 0.13 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 2ee9 n GLY 66 N -1.45 0.44 3.53 2.32 0.00 -0.97 -4.74 105.19 104.31 2ee9 n GLY 66 Ca -0.04 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.36 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 3.64 -0.03 0.99 2.96 -1.26 -1.14 118.68 123.84 2ee9 s LEU 67 Ca 0.00 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 2ee9 s LEU 67 Cb 0.00 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2ee9 s LEU 67 CO 0.00 0.03 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.96 2ee9 s HIS 68 N 1.25 2.81 -0.18 5.38 3.76 -1.13 -3.65 115.29 123.54 2ee9 s HIS 68 Ca 0.05 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.89 2ee9 s HIS 68 Cb -0.14 -1.63 0.02 0.00 1.11 0.00 0.00 32.58 31.93 2ee9 s HIS 68 CO 0.04 0.29 -0.20 -2.00 -0.85 0.00 0.00 174.74 172.02 2ee9 s GLU 69 N -1.03 3.00 0.02 1.40 2.12 -0.86 -1.55 118.70 121.80 2ee9 s GLU 69 Ca 0.14 -0.83 -0.04 0.00 0.36 0.00 0.00 54.97 54.61 2ee9 s GLU 69 Cb -0.11 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 2ee9 s GLU 69 CO 0.03 -0.20 0.23 1.41 -0.54 0.00 0.00 175.26 176.20 2ee9 s MET 70 N 1.27 3.50 -0.17 4.30 -2.45 -0.11 -0.42 119.30 125.22 2ee9 s MET 70 Ca 0.04 -0.25 -0.03 0.00 -1.25 0.00 0.00 55.69 54.21 2ee9 s MET 70 Cb -0.13 -3.06 0.05 0.00 1.25 0.00 0.00 34.83 32.94 2ee9 s MET 70 CO -0.12 0.64 0.03 -1.01 1.05 0.00 0.00 175.02 175.60 2ee9 s HIS 71 N -1.38 0.97 -0.05 4.11 3.76 0.10 -1.74 115.29 121.05 2ee9 s HIS 71 Ca 0.30 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.52 2ee9 s HIS 71 Cb -0.13 -0.99 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 2ee9 s HIS 71 CO 0.20 -0.56 -0.19 0.42 -0.85 0.00 0.00 174.74 173.76 2ee9 s ILE 72 N 1.88 2.65 -0.04 0.60 1.01 -1.26 -0.87 121.20 125.16 2ee9 s ILE 72 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.81 2ee9 s ILE 72 Cb -0.16 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.31 2ee9 s ILE 72 CO -0.08 0.58 -0.09 -0.54 0.00 0.00 0.00 174.94 174.81 2ee9 s LYS 73 N -0.46 1.13 -0.37 2.79 1.02 -0.84 -3.62 119.74 119.40 2ee9 s LYS 73 Ca 0.05 -0.29 -0.07 0.00 0.02 0.00 0.00 55.97 55.69 2ee9 s LYS 73 Cb -0.12 -1.02 0.06 0.00 -0.52 0.00 0.00 37.83 36.23 2ee9 s LYS 73 CO 0.01 0.05 0.16 -0.47 -0.92 0.00 0.00 175.35 174.19 2ee9 s TYR 74 N 0.48 3.32 -1.02 3.18 5.04 0.36 -2.05 117.35 126.67 2ee9 s TYR 74 Ca -0.08 -1.57 -0.00 0.00 -2.44 0.00 0.00 57.07 52.98 2ee9 s TYR 74 Cb -0.12 -2.60 -0.00 0.00 0.35 0.00 0.00 41.96 39.59 2ee9 s TYR 74 CO 0.01 -0.80 0.85 -1.33 -1.34 0.00 0.00 175.55 172.95 2ee9 n MET 75 N 4.82 -5.48 -2.17 4.97 2.81 0.18 -2.40 117.12 119.86 2ee9 n MET 75 Ca -0.11 0.73 -0.20 0.00 -1.81 0.00 0.00 57.70 56.31 2ee9 n MET 75 Cb 0.44 -5.37 -0.03 0.00 -0.71 0.00 0.00 33.22 27.55 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 -1.12 0.20 2.72 3.03 0.00 -1.26 -4.97 105.19 103.80 2ee9 n GLY 76 Ca -0.24 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 2ee9 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ee9 s SER 77 N -2.28 1.23 0.56 1.61 0.01 -1.01 -5.14 113.70 108.70 2ee9 s SER 77 Ca 0.00 0.01 -0.21 0.00 1.31 0.00 0.00 55.95 57.06 2ee9 s SER 77 Cb 0.00 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2ee9 s SER 77 CO 0.00 -0.21 1.33 1.41 0.41 0.00 0.00 173.24 176.17 2ee9 n HIS 78 N 5.12 2.16 -3.89 2.43 8.25 -1.26 -0.48 115.22 127.55 2ee9 n HIS 78 Ca -0.07 0.43 -0.24 0.00 -0.26 0.00 0.00 57.72 57.59 2ee9 n HIS 78 Cb 0.50 -2.34 -0.02 0.00 1.12 0.00 0.00 29.99 29.25 2ee9 n HIS 78 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2ee9 s ILE 79 N -1.31 5.27 -1.78 1.59 -4.36 -1.24 -4.82 121.20 114.55 2ee9 s ILE 79 Ca 0.74 -0.79 0.15 0.00 -0.26 0.00 0.00 60.65 60.49 2ee9 s ILE 79 Cb -0.41 -3.81 0.37 0.00 1.25 0.00 0.00 42.46 39.86 2ee9 s ILE 79 CO 0.48 -0.25 1.37 -0.81 0.24 0.00 0.00 174.94 175.96 2ee9 n PRO 80 N -1.07 0.38 -0.01 0.37 -0.04 -1.26 -1.97 135.00 131.40 2ee9 n PRO 80 Ca -0.08 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2ee9 n PRO 80 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 2ee9 n PRO 80 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ee9 n GLU 81 N -1.11 0.50 -4.31 0.54 4.07 -1.26 -4.98 120.64 114.10 2ee9 n GLU 81 Ca 0.10 -0.15 -0.17 0.00 -0.06 0.00 0.00 57.16 56.89 2ee9 n GLU 81 Cb 0.08 -1.51 -0.10 0.00 -0.06 0.00 0.00 31.44 29.85 2ee9 n GLU 81 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2ee9 s SER 82 N -4.09 2.16 0.90 4.31 0.01 -0.83 -4.29 113.70 111.86 2ee9 s SER 82 Ca -0.04 -1.05 -0.12 0.00 1.31 0.00 0.00 55.95 56.06 2ee9 s SER 82 Cb 0.14 -0.07 0.13 0.00 0.21 0.00 0.00 66.02 66.43 2ee9 s SER 82 CO 0.89 -0.29 1.09 -2.16 0.41 0.00 0.00 173.24 173.18 2ee9 s PRO 83 N -3.72 1.26 0.12 12.44 0.04 -1.26 -4.37 135.00 139.50 2ee9 s PRO 83 Ca 0.21 0.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.05 2ee9 s PRO 83 Cb 0.02 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2ee9 s PRO 83 CO 0.05 -2.24 0.06 -0.48 0.04 0.00 0.00 177.00 174.42 2ee9 s LEU 84 N -6.22 1.84 -0.00 -3.56 0.05 -0.71 -4.99 118.68 105.08 2ee9 s LEU 84 Ca 0.63 -1.15 0.01 0.00 0.05 0.00 0.00 54.13 53.68 2ee9 s LEU 84 Cb -0.18 0.35 0.00 0.00 -2.05 0.00 0.00 46.19 44.31 2ee9 s LEU 84 CO 0.57 -0.72 -0.02 -1.10 -0.55 0.00 0.00 176.35 174.53 2ee9 s GLN 85 N -4.02 0.21 -0.06 1.48 -0.21 -1.26 -0.93 119.66 114.87 2ee9 s GLN 85 Ca 0.21 -0.07 -0.02 0.00 0.02 0.00 0.00 55.36 55.49 2ee9 s GLN 85 Cb 0.07 -0.22 0.03 0.00 1.00 0.00 0.00 33.01 33.90 2ee9 s GLN 85 CO -0.00 0.04 0.05 -0.59 -2.12 0.00 0.00 175.29 172.66 2ee9 s PHE 86 N 0.04 0.18 0.15 0.91 -0.71 -0.60 -4.99 117.98 112.96 2ee9 s PHE 86 Ca -0.00 0.12 -0.29 0.00 -1.04 0.00 0.00 56.93 55.72 2ee9 s PHE 86 Cb -0.02 -0.56 -0.07 0.00 -1.21 0.00 0.00 43.02 41.16 2ee9 s PHE 86 CO -0.00 -0.25 0.92 -0.47 -1.34 0.00 0.00 175.22 174.08 2ee9 s TYR 87 N 2.13 3.86 -0.23 3.49 5.04 -1.26 -2.85 117.35 127.54 2ee9 s TYR 87 Ca 0.05 1.79 0.02 0.00 -2.44 0.00 0.00 57.07 56.48 2ee9 s TYR 87 Cb -0.12 -2.99 0.04 0.00 0.35 0.00 0.00 41.96 39.24 2ee9 s TYR 87 CO -0.04 0.31 -0.14 0.08 -1.34 0.00 0.00 175.55 174.42 2ee9 s VAL 88 N -0.44 2.17 0.13 3.14 1.01 -0.29 -5.00 120.40 121.11 2ee9 s VAL 88 Ca 0.43 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 61.13 2ee9 s VAL 88 Cb -0.24 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2ee9 s VAL 88 CO 0.29 0.21 0.11 0.20 0.00 0.00 0.00 175.10 175.92 2ee9 s ASN 89 N 1.19 5.52 0.29 3.32 0.01 -1.26 -2.29 114.94 121.72 2ee9 s ASN 89 Ca -0.03 -0.08 -0.27 0.00 -0.71 0.00 0.00 52.86 51.77 2ee9 s ASN 89 Cb -0.17 -1.46 -0.09 0.00 0.41 0.00 0.00 41.25 39.94 2ee9 s ASN 89 CO -0.08 0.11 0.92 -0.47 -1.51 0.00 0.00 177.10 176.07 2ee9 s TYR 90 N -1.61 3.77 -0.49 2.20 6.14 -1.26 -4.96 117.35 121.14 2ee9 s TYR 90 Ca 0.30 1.79 -0.27 0.00 0.64 0.00 0.00 57.07 59.53 2ee9 s TYR 90 Cb -0.11 -2.91 -0.02 0.00 0.42 0.00 0.00 41.96 39.34 2ee9 s TYR 90 CO 0.23 0.29 1.78 -1.25 0.64 0.00 0.00 175.55 177.25 2ee9 s PRO 91 N -1.79 2.99 0.13 4.97 0.04 -1.26 -4.93 135.00 135.14 2ee9 s PRO 91 Ca 0.47 0.93 -0.34 0.00 0.04 0.00 0.00 61.00 62.09 2ee9 s PRO 91 Cb -0.21 -4.28 -0.17 0.00 0.04 0.00 0.00 34.50 29.89 2ee9 s PRO 91 CO 0.26 -2.29 1.06 0.27 0.04 0.00 0.00 177.00 176.33 2ee9 n ASN 92 N 11.42 0.64 -0.04 6.66 0.23 -1.26 -4.90 115.26 128.01 2ee9 n ASN 92 Ca 0.21 1.14 -0.10 0.00 -0.53 0.00 0.00 54.58 55.30 2ee9 n ASN 92 Cb 0.50 -1.10 -0.03 0.00 -2.08 0.00 0.00 39.78 37.07 2ee9 n ASN 92 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2ee9 n SER 93 N 1.93 0.86 0.00 0.53 2.88 -1.26 -5.08 113.62 113.48 2ee9 n SER 93 Ca 0.17 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2ee9 n SER 93 Cb 0.20 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 2.43 4.19 0.00 0.46 0.00 -1.26 -5.36 105.19 105.65 2ee9 n GLY 94 Ca -0.17 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2ee9 n GLY 94 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06