#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cej n ILE 2 N 0.00 2.74 -3.27 2.41 2.08 -1.26 -4.97 119.36 117.10 1cej n ILE 2 Ca 0.00 -5.31 -0.05 0.00 0.56 0.00 0.00 62.75 57.96 1cej n ILE 2 Cb 0.00 -2.10 -0.05 0.00 -0.75 0.00 0.00 39.64 36.74 1cej n ILE 2 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1cej s SER 3 N -2.33 -0.26 -0.10 4.38 0.15 -1.26 -5.05 113.70 109.24 1cej s SER 3 Ca 0.38 0.09 -0.03 0.00 0.70 0.00 0.00 55.95 57.09 1cej s SER 3 Cb 0.13 1.43 -0.01 0.00 -1.71 0.00 0.00 66.02 65.85 1cej s SER 3 CO -0.00 -0.31 -0.06 -0.61 1.20 0.00 0.00 173.24 173.45 1cej h GLN 4 N 8.12 0.00 -0.64 5.44 5.75 -1.92 -3.34 115.11 128.51 1cej h GLN 4 Ca -0.13 0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.51 1cej h GLN 4 Cb 1.15 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.66 1cej h GLN 4 CO 0.25 0.00 0.44 1.12 -2.65 0.00 0.00 178.83 177.99 1cej h HIS 5 N -0.82 0.33 -5.42 3.99 2.07 -1.86 -3.44 115.15 109.99 1cej h HIS 5 Ca 0.00 0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.48 1cej h HIS 5 Cb 0.18 -0.10 0.03 0.00 2.57 0.00 0.00 27.41 30.09 1cej h HIS 5 CO -0.08 0.14 -0.15 1.04 -3.07 0.00 0.00 177.93 175.81 1cej n GLN 6 N -4.45 -1.45 -1.77 5.12 1.13 -1.26 -4.70 117.38 110.00 1cej n GLN 6 Ca 0.12 1.39 -0.42 0.00 -1.94 0.00 0.00 57.00 56.14 1cej n GLN 6 Cb 0.51 -5.69 -0.03 0.00 0.11 0.00 0.00 30.24 25.14 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cej h VAL 8 N 5.50 1.44 -0.71 0.00 -1.51 -2.00 -3.46 116.25 115.51 1cej h VAL 8 Ca -0.46 -2.54 0.10 0.00 -1.23 0.00 0.00 66.70 62.57 1cej h VAL 8 Cb 1.22 3.14 -0.20 0.00 -2.13 0.00 0.00 31.29 33.31 1cej h VAL 8 CO 0.94 0.72 -0.23 -0.75 -1.23 0.00 0.00 177.57 177.02 1cej s LYS 9 N -2.45 0.40 -0.08 5.19 2.20 -1.26 -5.16 119.74 118.58 1cej s LYS 9 Ca -0.14 0.40 -0.07 0.00 -0.36 0.00 0.00 55.97 55.80 1cej s LYS 9 Cb 0.02 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1cej s LYS 9 CO 0.84 -0.74 0.21 0.15 -0.36 0.00 0.00 175.35 175.45 1cej s LYS 10 N 2.88 0.24 0.00 4.03 -0.14 -1.26 -5.06 119.74 120.42 1cej s LYS 10 Ca 0.17 0.31 0.00 0.00 -1.36 0.00 0.00 55.97 55.09 1cej s LYS 10 Cb -0.07 0.09 0.00 0.00 -1.68 0.00 0.00 37.83 36.17 1cej s LYS 10 CO -0.25 -0.04 0.00 0.94 -0.76 0.00 0.00 175.35 175.24 1cej n GLN 11 N 3.10 0.00 -1.54 1.68 7.27 -1.26 -5.01 117.38 121.63 1cej n GLN 11 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1cej n GLN 11 Cb 0.58 -0.11 0.00 0.00 2.41 0.00 0.00 30.24 33.12 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cej s PRO 13 N -1.64 1.40 1.38 0.00 0.04 -1.26 -4.95 135.00 129.97 1cej s PRO 13 Ca 0.00 -1.03 -0.23 0.00 0.04 0.00 0.00 61.00 59.78 1cej s PRO 13 Cb 0.00 -2.23 0.36 0.00 0.04 0.00 0.00 34.50 32.66 1cej s PRO 13 CO 0.00 -1.69 0.81 1.04 0.04 0.00 0.00 177.00 177.19 1cej n GLN 14 N -3.04 -4.65 -1.99 4.56 6.02 -1.26 -3.10 117.38 113.92 1cej n GLN 14 Ca 0.16 -1.35 -0.16 0.00 -0.01 0.00 0.00 57.00 55.64 1cej n GLN 14 Cb 0.60 -1.78 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 1cej n GLN 14 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1cej n ASN 15 N -5.54 -4.47 0.00 1.08 5.03 -1.26 -4.53 115.26 105.57 1cej n ASN 15 Ca 0.13 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.81 1cej n ASN 15 Cb 0.56 -3.89 0.00 0.00 -1.02 0.00 0.00 39.78 35.43 1cej n ASN 15 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1cej n SER 16 N -1.40 0.00 -4.69 6.41 2.88 -1.18 -3.80 113.62 111.84 1cej n SER 16 Ca -0.17 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.06 1cej n SER 16 Cb 0.59 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.95 1cej n SER 16 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1cej s GLY 17 N 0.00 2.76 0.64 0.46 0.00 -0.30 -4.48 107.32 106.40 1cej s GLY 17 Ca 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 44.72 43.30 1cej s GLY 17 CO 0.00 -2.15 0.93 0.00 0.00 0.00 0.00 173.10 171.88 1cej s PHE 19 N -3.07 -1.14 -0.22 0.00 5.36 -0.50 -4.73 117.98 113.67 1cej s PHE 19 Ca 0.57 2.04 -0.29 0.00 -0.96 0.00 0.00 56.93 58.30 1cej s PHE 19 Cb -0.11 0.69 -0.02 0.00 -0.34 0.00 0.00 43.02 43.24 1cej s PHE 19 CO 0.44 -0.57 1.56 0.50 -1.46 0.00 0.00 175.22 175.69 1cej s ARG 20 N 2.52 3.84 0.33 10.12 3.52 -1.26 -2.43 118.95 135.59 1cej s ARG 20 Ca -0.06 1.62 -0.28 0.00 -0.13 0.00 0.00 55.73 56.88 1cej s ARG 20 Cb -0.09 -4.00 -0.13 0.00 -1.56 0.00 0.00 34.95 29.17 1cej s ARG 20 CO -0.19 -1.23 1.26 0.72 -0.81 0.00 0.00 175.30 175.05 1cej n HIS 21 N 8.22 2.12 0.24 5.12 8.25 0.29 -4.79 115.22 134.66 1cej n HIS 21 Ca 0.18 0.57 0.03 0.00 -0.26 0.00 0.00 57.72 58.24 1cej n HIS 21 Cb 0.45 -2.39 0.14 0.00 1.12 0.00 0.00 29.99 29.31 1cej n HIS 21 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1cej n LEU 22 N 0.93 0.00 -2.20 2.41 4.32 -1.26 -1.81 117.00 119.39 1cej n LEU 22 Ca 0.06 0.42 -0.28 0.00 -0.02 0.00 0.00 56.01 56.19 1cej n LEU 22 Cb 0.35 -0.42 0.11 0.00 -1.62 0.00 0.00 43.42 41.84 1cej n LEU 22 CO 0.62 -0.33 1.34 -0.90 -1.22 0.00 0.00 177.39 176.90 1cej n ASP 23 N -1.42 6.04 -3.68 -1.43 5.75 -1.26 -4.84 116.55 115.71 1cej n ASP 23 Ca 0.02 -3.59 -0.25 0.00 -0.01 0.00 0.00 54.79 50.96 1cej n ASP 23 Cb 0.06 -0.92 0.06 0.00 -1.03 0.00 0.00 41.12 39.29 1cej n ASP 23 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1cej n GLU 24 N -0.82 -6.99 -4.49 0.11 4.71 -0.75 -4.98 120.64 107.43 1cej n GLU 24 Ca 0.56 0.75 -0.25 0.00 -0.01 0.00 0.00 57.16 58.22 1cej n GLU 24 Cb 1.00 -5.73 -0.08 0.00 -1.01 0.00 0.00 31.44 25.62 1cej n GLU 24 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1cej s ARG 25 N -6.31 1.91 -0.04 3.49 0.52 -1.12 -4.96 118.95 112.44 1cej s ARG 25 Ca 0.53 -2.16 0.02 0.00 -0.52 0.00 0.00 55.73 53.59 1cej s ARG 25 Cb -0.24 -0.49 0.02 0.00 0.52 0.00 0.00 34.95 34.76 1cej s ARG 25 CO 0.76 -0.51 -0.07 -1.21 0.02 0.00 0.00 175.30 174.30 1cej s GLU 26 N -3.68 1.07 0.08 3.54 2.02 -1.26 0.10 118.70 120.57 1cej s GLU 26 Ca 0.26 -0.22 -0.08 0.00 0.02 0.00 0.00 54.97 54.94 1cej s GLU 26 Cb 0.02 -0.98 -0.00 0.00 0.10 0.00 0.00 34.13 33.27 1cej s GLU 26 CO 0.16 -0.01 0.17 -1.21 0.02 0.00 0.00 175.26 174.39 1cej s GLU 27 N 0.68 0.80 -0.38 1.61 2.02 -1.02 -4.86 118.70 117.55 1cej s GLU 27 Ca -0.11 -0.93 -0.12 0.00 0.02 0.00 0.00 54.97 53.84 1cej s GLU 27 Cb -0.14 0.32 0.03 0.00 0.10 0.00 0.00 34.13 34.44 1cej s GLU 27 CO 0.01 -0.24 0.22 0.00 0.02 0.00 0.00 175.26 175.27 1cej s LYS 29 N 1.58 3.32 0.73 0.00 2.20 -0.46 -4.96 119.74 122.15 1cej s LYS 29 Ca 0.02 -0.85 -0.03 0.00 -0.36 0.00 0.00 55.97 54.75 1cej s LYS 29 Cb -0.19 -2.86 0.12 0.00 -1.51 0.00 0.00 37.83 33.39 1cej s LYS 29 CO 0.07 0.30 1.01 0.00 -0.36 0.00 0.00 175.35 176.38 1cej n LEU 31 N -2.91 0.00 -4.79 0.00 4.77 -1.25 -4.59 117.00 108.23 1cej n LEU 31 Ca 0.14 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.78 1cej n LEU 31 Cb 0.60 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1cej n LEU 31 CO 0.44 -0.26 0.73 -0.76 -1.33 0.00 0.00 177.39 176.21 1cej s LEU 32 N 0.00 3.78 -1.50 2.23 1.43 -1.26 -2.89 118.68 120.46 1cej s LEU 32 Ca 0.00 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1cej s LEU 32 Cb 0.00 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.66 1cej s LEU 32 CO 0.00 -0.95 0.00 0.59 0.23 0.00 0.00 176.35 176.22 1cej n ASN 33 N -1.18 -3.92 -4.59 2.29 3.02 -1.26 -4.87 115.26 104.74 1cej n ASN 33 Ca 0.10 0.33 -0.25 0.00 -0.03 0.00 0.00 54.58 54.73 1cej n ASN 33 Cb 0.52 -3.56 -0.09 0.00 -0.61 0.00 0.00 39.78 36.04 1cej n ASN 33 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1cej s TYR 34 N -2.30 2.50 0.42 3.10 1.51 -1.14 0.11 117.35 121.55 1cej s TYR 34 Ca 0.00 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1cej s TYR 34 Cb 0.00 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1cej s TYR 34 CO 0.00 0.55 0.16 -1.59 -1.11 0.00 0.00 175.55 173.56 1cej s LYS 35 N -3.66 1.98 -0.15 -0.62 -2.85 -0.21 -4.64 119.74 109.59 1cej s LYS 35 Ca 0.33 -2.22 -0.02 0.00 -1.00 0.00 0.00 55.97 53.06 1cej s LYS 35 Cb -0.01 -0.49 -0.02 0.00 -2.06 0.00 0.00 37.83 35.25 1cej s LYS 35 CO 0.18 -0.55 -0.09 -1.14 0.10 0.00 0.00 175.35 173.85 1cej s GLN 36 N -3.63 3.45 -0.42 1.78 0.74 -1.26 -1.30 119.66 119.03 1cej s GLN 36 Ca 0.23 -0.63 0.03 0.00 0.05 0.00 0.00 55.36 55.04 1cej s GLN 36 Cb 0.01 -2.77 0.12 0.00 1.10 0.00 0.00 33.01 31.47 1cej s GLN 36 CO 0.16 0.14 0.17 -2.00 -0.55 0.00 0.00 175.29 173.20 1cej s GLU 37 N 0.58 1.50 3.08 1.67 2.12 -0.75 -4.91 118.70 122.00 1cej s GLU 37 Ca -0.06 -2.05 0.00 0.00 0.36 0.00 0.00 54.97 53.22 1cej s GLU 37 Cb -0.15 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.34 1cej s GLU 37 CO 0.03 -1.05 0.00 0.41 -0.54 0.00 0.00 175.26 174.11 1cej n GLY 38 N 3.80 1.06 0.09 -1.50 0.00 -1.26 -1.46 105.19 105.92 1cej n GLY 38 Ca 0.04 0.36 0.02 0.00 0.00 0.00 0.00 46.02 46.45 1cej n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cej n ASP 39 N 6.06 1.33 -3.63 1.61 8.00 -1.26 -5.00 116.55 123.67 1cej n ASP 39 Ca 0.00 -2.02 -0.19 0.00 0.71 0.00 0.00 54.79 53.28 1cej n ASP 39 Cb 0.00 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 40.81 1cej n ASP 39 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1cej s LYS 40 N -1.07 0.03 0.59 -1.24 -2.85 -0.53 -4.69 119.74 109.99 1cej s LYS 40 Ca 0.07 0.35 -0.17 0.00 -1.00 0.00 0.00 55.97 55.22 1cej s LYS 40 Cb 0.07 -0.75 -0.03 0.00 -2.06 0.00 0.00 37.83 35.06 1cej s LYS 40 CO 0.01 -0.43 1.11 0.00 0.10 0.00 0.00 175.35 176.14 1cej n VAL 42 N -1.84 0.00 -2.30 0.00 0.24 -0.42 -4.81 118.33 109.21 1cej n VAL 42 Ca 0.11 -2.18 -0.42 0.00 -2.04 0.00 0.00 64.34 59.80 1cej n VAL 42 Cb 0.52 0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 33.73 1cej n VAL 42 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1cej s GLU 43 N -3.36 4.32 -0.16 7.34 2.12 -1.26 -1.05 118.70 126.64 1cej s GLU 43 Ca 0.24 1.88 -0.06 0.00 0.36 0.00 0.00 54.97 57.39 1cej s GLU 43 Cb 0.01 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1cej s GLU 43 CO 0.17 -0.50 0.05 1.21 -0.54 0.00 0.00 175.26 175.65 1cej s ASN 44 N 1.62 5.54 0.07 -1.70 3.04 0.31 -4.73 114.94 119.09 1cej s ASN 44 Ca 0.61 0.09 0.23 0.00 0.04 0.00 0.00 52.86 53.84 1cej s ASN 44 Cb -0.30 -1.89 0.11 0.00 -1.54 0.00 0.00 41.25 37.63 1cej s ASN 44 CO 0.26 0.21 1.09 -0.81 -3.04 0.00 0.00 177.10 174.81 1cej n PRO 45 N 3.26 0.31 -3.55 0.43 -0.04 -1.26 -4.51 135.00 129.63 1cej n PRO 45 Ca -0.17 0.02 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 1cej n PRO 45 Cb 0.53 -1.63 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 1cej n PRO 45 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1cej s ASN 46 N -4.09 3.35 0.75 3.54 3.04 -1.26 -5.00 114.94 115.28 1cej s ASN 46 Ca 0.04 -1.98 -0.02 0.00 0.04 0.00 0.00 52.86 50.95 1cej s ASN 46 Cb 0.14 -0.55 0.14 0.00 -1.54 0.00 0.00 41.25 39.45 1cej s ASN 46 CO 0.78 -0.35 1.04 -2.16 -3.04 0.00 0.00 177.10 173.37 1cej s PRO 47 N 1.27 1.50 0.00 0.43 0.04 -1.26 -5.08 135.00 131.90 1cej s PRO 47 Ca 0.15 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 60.05 1cej s PRO 47 Cb -0.21 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1cej s PRO 47 CO -0.11 -1.59 0.00 -2.37 0.04 0.00 0.00 177.00 172.96 1cej n THR 48 N -2.94 0.00 0.00 1.26 5.66 -1.18 -4.64 114.28 112.44 1cej n THR 48 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 1cej n THR 48 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 1cej n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cej n ASN 50 N -2.02 0.00 -3.50 0.00 5.15 -1.26 -3.32 115.26 110.31 1cej n ASN 50 Ca 0.00 -0.65 -0.36 0.00 -0.60 0.00 0.00 54.58 52.97 1cej n ASN 50 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 1cej n ASN 50 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1cej n GLU 51 N -0.76 4.45 -3.71 1.20 1.02 -1.26 -4.88 120.64 116.70 1cej n GLU 51 Ca 0.06 -4.71 -0.29 0.00 -0.02 0.00 0.00 57.16 52.20 1cej n GLU 51 Cb 0.03 -2.40 0.01 0.00 -0.02 0.00 0.00 31.44 29.06 1cej n GLU 51 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1cej n ASN 52 N 0.20 -5.05 -2.34 1.62 6.94 -1.23 -4.01 115.26 111.39 1cej n ASN 52 Ca 0.38 -0.72 -0.03 0.00 -0.02 0.00 0.00 54.58 54.19 1cej n ASN 52 Cb 0.32 -1.67 -0.02 0.00 -2.36 0.00 0.00 39.78 36.05 1cej n ASN 52 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1cej n ASN 53 N -1.89 -2.88 -1.31 0.53 2.85 -1.21 -4.83 115.26 106.51 1cej n ASN 53 Ca -0.25 1.02 0.01 0.00 -0.11 0.00 0.00 54.58 55.25 1cej n ASN 53 Cb 0.69 -4.17 0.20 0.00 1.24 0.00 0.00 39.78 37.74 1cej n ASN 53 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cej n GLY 54 N 0.98 2.47 0.00 8.20 0.00 -1.17 -4.56 105.19 111.10 1cej n GLY 54 Ca -0.20 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1cej n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cej n GLY 55 N 0.22 0.41 3.53 -0.02 0.00 -1.26 -3.12 105.19 104.95 1cej n GLY 55 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1cej n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cej n ASP 57 N 2.41 -2.26 -0.27 0.00 2.03 -1.13 -4.45 116.55 112.88 1cej n ASP 57 Ca -0.18 0.91 0.20 0.00 0.52 0.00 0.00 54.79 56.24 1cej n ASP 57 Cb 0.53 -0.92 0.51 0.00 -0.72 0.00 0.00 41.12 40.51 1cej n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cej h ALA 58 N 0.55 2.20 -0.35 -1.67 0.00 -1.95 0.89 119.26 118.94 1cej h ALA 58 Ca -0.35 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1cej h ALA 58 Cb 1.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1cej h ALA 58 CO 0.50 -0.52 0.00 -3.47 0.00 0.00 0.00 179.25 175.76 1cej n ASP 59 N -4.54 3.03 -4.81 0.00 2.03 -1.26 -4.91 116.55 106.09 1cej n ASP 59 Ca 0.21 -1.93 -0.38 0.00 0.52 0.00 0.00 54.79 53.20 1cej n ASP 59 Cb 0.74 -0.23 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cej s ALA 60 N -1.55 3.57 -0.53 -1.67 0.00 0.31 -4.53 121.76 117.36 1cej s ALA 60 Ca 0.37 0.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.13 1cej s ALA 60 Cb 0.21 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 1cej s ALA 60 CO 0.30 0.39 1.78 0.15 0.00 0.00 0.00 175.76 178.38 1cej s LYS 61 N -1.21 2.91 0.17 0.00 -0.14 -0.49 -4.65 119.74 116.33 1cej s LYS 61 Ca 0.31 0.81 -0.22 0.00 -1.36 0.00 0.00 55.97 55.51 1cej s LYS 61 Cb -0.19 -4.30 -0.08 0.00 -1.68 0.00 0.00 37.83 31.58 1cej s LYS 61 CO 0.20 -2.39 0.72 0.00 -0.76 0.00 0.00 175.35 173.12 1cej s THR 63 N -1.31 0.38 0.00 0.00 -4.23 -0.71 -4.97 115.64 104.81 1cej s THR 63 Ca 0.38 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1cej s THR 63 Cb -0.20 -0.37 0.00 0.00 1.34 0.00 0.00 72.50 73.27 1cej s THR 63 CO 0.23 -0.06 0.37 -1.84 -0.54 0.00 0.00 174.62 172.77 1cej n GLU 64 N 2.51 0.00 -0.31 3.99 0.28 -1.26 -1.82 120.64 124.03 1cej n GLU 64 Ca -0.16 -0.37 -0.24 0.00 -0.16 0.00 0.00 57.16 56.23 1cej n GLU 64 Cb 0.57 -0.41 0.23 0.00 1.43 0.00 0.00 31.44 33.26 1cej n GLU 64 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1cej n GLU 65 N 0.00 -4.03 0.00 3.44 1.02 -1.26 -4.62 120.64 115.19 1cej n GLU 65 Ca 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.92 1cej n GLU 65 Cb 0.47 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1cej n GLU 65 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1cej n ASP 66 N -5.14 0.00 -1.04 1.62 2.03 -1.26 -4.94 116.55 107.82 1cej n ASP 66 Ca 0.11 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.56 1cej n ASP 66 Cb 0.48 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.85 1cej n ASP 66 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1cej n SER 67 N 3.84 -6.17 0.00 1.67 7.64 -1.26 -4.80 113.62 114.54 1cej n SER 67 Ca 0.00 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1cej n SER 67 Cb 0.00 -3.00 0.00 0.00 -1.01 0.00 0.00 64.21 60.20 1cej n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cej n GLY 68 N -3.17 0.39 1.08 0.23 0.00 -1.26 -4.98 105.19 97.48 1cej n GLY 68 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1cej n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cej n SER 69 N -1.28 -2.75 -0.33 1.61 7.64 -1.26 -4.82 113.62 112.43 1cej n SER 69 Ca 0.00 -0.30 0.05 0.00 1.01 0.00 0.00 58.87 59.63 1cej n SER 69 Cb 0.00 -0.34 0.20 0.00 -1.01 0.00 0.00 64.21 63.06 1cej n SER 69 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1cej h ASN 70 N -2.56 0.80 0.00 6.43 -1.24 -1.93 -3.43 115.58 113.65 1cej h ASN 70 Ca -0.13 0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1cej h ASN 70 Cb 0.45 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1cej h ASN 70 CO 0.08 0.44 0.00 0.61 -1.29 0.00 0.00 177.43 177.27 1cej n GLY 71 N -1.33 1.38 1.29 1.57 0.00 -1.26 -4.91 105.19 101.93 1cej n GLY 71 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1cej n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cej n LYS 72 N 0.00 -3.17 -1.92 1.61 4.76 -1.26 -4.22 118.16 113.96 1cej n LYS 72 Ca 0.00 2.53 0.00 0.00 -2.87 0.00 0.00 58.31 57.97 1cej n LYS 72 Cb 0.00 -3.42 0.00 0.00 -1.84 0.00 0.00 35.03 29.77 1cej n LYS 72 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1cej n LYS 73 N -3.40 -4.80 -4.07 1.97 4.81 -1.26 -4.67 118.16 106.75 1cej n LYS 73 Ca -0.05 3.48 -0.13 0.00 -0.87 0.00 0.00 58.31 60.74 1cej n LYS 73 Cb 0.52 -3.80 -0.12 0.00 0.02 0.00 0.00 35.03 31.66 1cej n LYS 73 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1cej s ILE 74 N -0.46 0.53 0.01 3.15 -1.09 -1.26 -4.40 121.20 117.67 1cej s ILE 74 Ca 0.00 -1.03 0.02 0.00 -2.23 0.00 0.00 60.65 57.40 1cej s ILE 74 Cb 0.00 -0.59 -0.01 0.00 -1.58 0.00 0.00 42.46 40.28 1cej s ILE 74 CO 0.00 -0.36 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.41 1cej s THR 75 N -1.31 0.39 -0.24 2.92 2.01 -0.76 -4.96 115.64 113.69 1cej s THR 75 Ca -0.09 -0.40 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 1cej s THR 75 Cb -0.10 -0.37 0.03 0.00 0.01 0.00 0.00 72.50 72.08 1cej s THR 75 CO 0.00 -0.02 -0.10 0.00 -0.69 0.00 0.00 174.62 173.82 1cej s GLU 77 N 1.27 1.50 -0.67 0.00 -6.30 -0.60 -4.92 118.70 108.98 1cej s GLU 77 Ca -0.01 -2.06 -0.26 0.00 -2.50 0.00 0.00 54.97 50.15 1cej s GLU 77 Cb -0.17 -2.87 -0.05 0.00 0.00 0.00 0.00 34.13 31.04 1cej s GLU 77 CO -0.06 -1.06 2.08 0.00 0.02 0.00 0.00 175.26 176.23 1cej n THR 79 N 7.74 2.57 -3.93 0.00 5.66 -1.26 -4.88 114.28 120.18 1cej n THR 79 Ca 0.32 -1.34 -0.24 0.00 -3.05 0.00 0.00 64.05 59.74 1cej n THR 79 Cb 0.50 -1.50 -0.05 0.00 -1.55 0.00 0.00 70.33 67.73 1cej n THR 79 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1cej s LYS 80 N -0.81 2.33 -0.16 1.09 -0.14 -1.26 -5.07 119.74 115.72 1cej s LYS 80 Ca 0.26 -1.77 -0.17 0.00 -1.36 0.00 0.00 55.97 52.94 1cej s LYS 80 Cb 0.18 -2.12 -0.14 0.00 -1.68 0.00 0.00 37.83 34.07 1cej s LYS 80 CO -0.02 -0.19 0.21 -1.00 -0.76 0.00 0.00 175.35 173.58 1cej h PRO 81 N 1.23 0.00 -0.58 -1.68 0.14 -1.97 -3.32 132.00 125.81 1cej h PRO 81 Ca -0.42 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.72 1cej h PRO 81 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.40 1cej h PRO 81 CO 0.65 0.61 0.00 -0.25 0.14 0.00 0.00 178.00 179.14 1cej n ASP 82 N -4.57 0.83 -4.63 1.44 8.00 -1.26 -4.82 116.55 111.53 1cej n ASP 82 Ca -0.16 -2.03 -0.43 0.00 0.71 0.00 0.00 54.79 52.88 1cej n ASP 82 Cb 0.43 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1cej n ASP 82 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1cej s SER 83 N -0.45 6.25 -0.41 -2.24 0.15 -1.25 -4.32 113.70 111.44 1cej s SER 83 Ca 0.03 1.91 0.07 0.00 0.70 0.00 0.00 55.95 58.66 1cej s SER 83 Cb 0.02 -2.53 0.24 0.00 -1.71 0.00 0.00 66.02 62.04 1cej s SER 83 CO 0.01 -1.32 0.52 -1.22 1.20 0.00 0.00 173.24 172.43 1cej n TYR 84 N 8.76 -0.15 -0.99 3.44 4.02 -1.25 -5.00 117.16 125.99 1cej n TYR 84 Ca 0.21 -3.58 -0.38 0.00 -0.01 0.00 0.00 57.90 54.14 1cej n TYR 84 Cb 0.44 -0.31 -0.06 0.00 -0.02 0.00 0.00 39.34 39.40 1cej n TYR 84 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1cej n PRO 85 N 1.51 0.00 0.04 -0.72 -0.01 -1.26 -4.75 135.00 129.81 1cej n PRO 85 Ca 0.22 0.00 -0.08 0.00 -0.01 0.00 0.00 63.50 63.63 1cej n PRO 85 Cb 0.52 -0.85 -0.13 0.00 -0.01 0.00 0.00 33.50 33.03 1cej n PRO 85 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 1cej h LEU 86 N 2.80 0.05 0.00 2.45 3.38 -1.95 -3.45 115.31 118.58 1cej h LEU 86 Ca -0.25 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1cej h LEU 86 Cb 0.78 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1cej h LEU 86 CO 0.55 1.05 0.00 0.49 0.09 0.00 0.00 178.44 180.62 1cej n PHE 87 N -3.30 0.00 -1.68 1.13 3.01 -1.26 -4.98 117.46 110.38 1cej n PHE 87 Ca -0.05 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.47 1cej n PHE 87 Cb 0.98 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 40.57 1cej n PHE 87 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1cej n ASP 88 N 0.00 1.52 0.00 4.37 2.03 -1.26 -4.92 116.55 118.29 1cej n ASP 88 Ca 0.00 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.25 1cej n ASP 88 Cb 0.00 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1cej n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cej n GLY 89 N -0.75 1.77 0.00 0.27 0.00 -1.26 -4.98 105.19 100.24 1cej n GLY 89 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1cej n GLY 89 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1cej n ILE 90 N -0.60 0.00 -3.20 -0.61 -5.35 -1.26 -3.30 119.36 105.04 1cej n ILE 90 Ca 0.00 -0.25 -0.23 0.00 -0.27 0.00 0.00 62.75 62.00 1cej n ILE 90 Cb 0.00 0.60 -0.06 0.00 -1.74 0.00 0.00 39.64 38.45 1cej n ILE 90 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1cej n PHE 91 N -1.63 1.32 -1.44 4.28 3.72 -1.26 -2.82 117.46 119.63 1cej n PHE 91 Ca 0.00 -3.83 -0.27 0.00 -0.05 0.00 0.00 57.45 53.31 1cej n PHE 91 Cb 0.27 -0.43 -0.07 0.00 -0.94 0.00 0.00 39.48 38.30 1cej n PHE 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cej n SER 93 N 1.71 -1.87 0.00 0.00 7.64 -1.26 -4.45 113.62 115.38 1cej n SER 93 Ca 0.53 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1cej n SER 93 Cb 0.56 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1cej n SER 93 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1cej n SER 94 N -2.09 0.00 0.00 6.43 2.88 -1.26 -3.87 113.62 115.71 1cej n SER 94 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1cej n SER 94 Cb 0.56 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1cej n SER 94 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1cej n SER 95 N -1.80 0.00 -0.33 -3.46 3.41 -1.26 -4.84 113.62 105.35 1cej n SER 95 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1cej n SER 95 Cb 0.00 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 64.61 1cej n SER 95 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47