#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cej s ILE 2 N 0.00 3.59 0.32 2.41 -1.09 -1.26 -5.08 121.20 120.10 1cej s ILE 2 Ca 0.00 -3.24 -0.05 0.00 -2.23 0.00 0.00 60.65 55.13 1cej s ILE 2 Cb 0.00 -3.34 -0.05 0.00 -1.58 0.00 0.00 42.46 37.49 1cej s ILE 2 CO 0.00 -0.91 0.59 -0.94 -1.23 0.00 0.00 174.94 172.46 1cej s SER 3 N 0.27 6.43 -0.09 3.58 1.04 -1.26 -5.09 113.70 118.58 1cej s SER 3 Ca 0.19 0.76 -0.04 0.00 0.48 0.00 0.00 55.95 57.34 1cej s SER 3 Cb -0.18 -2.16 0.05 0.00 0.10 0.00 0.00 66.02 63.82 1cej s SER 3 CO -0.05 -0.25 0.19 -1.58 0.98 0.00 0.00 173.24 172.53 1cej s GLN 4 N -3.72 0.11 -0.30 4.02 0.74 -1.26 -5.01 119.66 114.24 1cej s GLN 4 Ca 0.45 0.52 0.04 0.00 0.05 0.00 0.00 55.36 56.41 1cej s GLN 4 Cb -0.11 -0.17 0.48 0.00 1.10 0.00 0.00 33.01 34.32 1cej s GLN 4 CO 0.31 -0.22 1.62 1.58 -0.55 0.00 0.00 175.29 178.03 1cej n HIS 5 N 4.70 2.09 0.00 1.67 -0.00 -1.26 -4.70 115.22 117.72 1cej n HIS 5 Ca -0.17 -1.35 0.00 0.00 0.46 0.00 0.00 57.72 56.66 1cej n HIS 5 Cb 0.51 -0.71 0.00 0.00 -0.12 0.00 0.00 29.99 29.68 1cej n HIS 5 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1cej n GLN 6 N -0.54 0.00 -1.33 1.57 6.02 -1.26 -0.08 117.38 121.75 1cej n GLN 6 Ca 0.40 0.04 -0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1cej n GLN 6 Cb 1.29 -0.64 0.00 0.00 1.02 0.00 0.00 30.24 31.91 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cej n VAL 8 N -0.02 1.15 -3.14 0.00 0.31 -1.26 -5.00 118.33 110.36 1cej n VAL 8 Ca -0.00 -0.35 0.05 0.00 -0.01 0.00 0.00 64.34 64.02 1cej n VAL 8 Cb 0.02 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 1cej n VAL 8 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1cej s LYS 9 N -2.39 0.24 0.10 5.55 2.20 -1.26 -5.17 119.74 119.01 1cej s LYS 9 Ca -0.28 0.22 -0.25 0.00 -0.36 0.00 0.00 55.97 55.29 1cej s LYS 9 Cb 0.09 0.10 0.08 0.00 -1.51 0.00 0.00 37.83 36.59 1cej s LYS 9 CO 0.41 -0.45 0.66 -1.59 -0.36 0.00 0.00 175.35 174.02 1cej s LYS 10 N 2.88 1.17 0.44 4.03 -2.85 -1.26 -5.12 119.74 119.03 1cej s LYS 10 Ca 0.23 -0.31 -0.06 0.00 -1.00 0.00 0.00 55.97 54.83 1cej s LYS 10 Cb -0.03 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 1cej s LYS 10 CO -0.23 -0.49 0.75 -1.14 0.10 0.00 0.00 175.35 174.34 1cej s GLN 11 N -3.19 3.59 -0.19 1.78 2.00 -1.26 -5.10 119.66 117.30 1cej s GLN 11 Ca -0.01 0.20 -0.22 0.00 -2.00 0.00 0.00 55.36 53.33 1cej s GLN 11 Cb -0.01 -2.42 0.06 0.00 0.80 0.00 0.00 33.01 31.44 1cej s GLN 11 CO -0.08 -0.11 0.61 0.00 -0.50 0.00 0.00 175.29 175.20 1cej s PRO 13 N -0.00 3.55 1.23 0.00 0.04 -1.26 -5.06 135.00 133.49 1cej s PRO 13 Ca -0.02 0.02 -0.18 0.00 0.04 0.00 0.00 61.00 60.86 1cej s PRO 13 Cb -0.04 -2.49 0.26 0.00 0.04 0.00 0.00 34.50 32.27 1cej s PRO 13 CO 0.02 -0.04 0.58 1.04 0.04 0.00 0.00 177.00 178.64 1cej n GLN 14 N -1.93 -3.12 -3.35 4.56 3.00 -1.26 -3.25 117.38 112.03 1cej n GLN 14 Ca -0.01 -0.91 -0.24 0.00 -0.01 0.00 0.00 57.00 55.82 1cej n GLN 14 Cb 0.55 -1.80 0.03 0.00 0.00 0.00 0.00 30.24 29.02 1cej n GLN 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1cej n ASN 15 N -3.62 -5.21 -3.48 1.08 3.02 -1.26 -4.86 115.26 100.93 1cej n ASN 15 Ca 0.07 -0.44 0.01 0.00 -0.03 0.00 0.00 54.58 54.19 1cej n ASN 15 Cb 0.52 -4.21 -0.04 0.00 -0.61 0.00 0.00 39.78 35.45 1cej n ASN 15 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1cej s SER 16 N -2.89 -0.92 0.27 6.41 0.15 -1.20 0.93 113.70 116.45 1cej s SER 16 Ca 0.43 1.15 -0.02 0.00 0.70 0.00 0.00 55.95 58.21 1cej s SER 16 Cb -0.21 2.00 -0.04 0.00 -1.71 0.00 0.00 66.02 66.06 1cej s SER 16 CO 0.53 -0.18 0.50 -0.83 1.20 0.00 0.00 173.24 174.47 1cej s GLY 17 N 2.73 1.70 0.40 9.45 0.00 -0.27 -4.77 107.32 116.55 1cej s GLY 17 Ca -0.02 -0.74 -0.10 0.00 0.00 0.00 0.00 44.72 43.86 1cej s GLY 17 CO -0.18 -0.67 0.76 0.00 0.00 0.00 0.00 173.10 173.01 1cej s PHE 19 N -2.36 -0.76 0.43 0.00 5.36 -0.32 -4.39 117.98 115.94 1cej s PHE 19 Ca 0.51 1.64 -0.23 0.00 -0.96 0.00 0.00 56.93 57.89 1cej s PHE 19 Cb -0.10 0.43 -0.09 0.00 -0.34 0.00 0.00 43.02 42.92 1cej s PHE 19 CO 0.31 -0.37 1.06 0.50 -1.46 0.00 0.00 175.22 175.26 1cej s ARG 20 N 0.98 4.03 0.00 10.12 3.52 0.88 -2.55 118.95 135.93 1cej s ARG 20 Ca -0.05 1.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.05 1cej s ARG 20 Cb -0.05 -2.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.93 1cej s ARG 20 CO -0.11 -0.25 0.73 0.72 -0.81 0.00 0.00 175.30 175.58 1cej n HIS 21 N -0.34 0.00 0.00 5.12 8.25 0.12 -4.79 115.22 123.59 1cej n HIS 21 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1cej n HIS 21 Cb 0.50 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.32 0.00 -2.34 2.41 7.99 -1.26 -4.70 117.00 118.78 1cej n LEU 22 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.72 1cej n LEU 22 Cb 0.07 -0.39 0.02 0.00 -0.11 0.00 0.00 43.42 43.01 1cej n LEU 22 CO 0.00 0.00 0.39 -0.90 -1.51 0.00 0.00 177.39 175.37 1cej n ASP 23 N 0.00 5.23 0.00 -1.43 5.75 -1.26 -4.93 116.55 119.92 1cej n ASP 23 Ca 0.00 -3.75 0.00 0.00 -0.01 0.00 0.00 54.79 51.03 1cej n ASP 23 Cb 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 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 -0.60 0.00 -1.85 0.11 1.02 -1.26 -4.92 120.64 113.15 1cej n GLU 24 Ca 0.44 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 57.19 1cej n GLU 24 Cb 0.74 -0.16 0.03 0.00 -0.02 0.00 0.00 31.44 32.02 1cej n GLU 24 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1cej s ARG 25 N 0.00 3.33 -0.03 3.49 3.52 -1.26 -4.80 118.95 123.20 1cej s ARG 25 Ca 0.00 2.21 0.07 0.00 -0.13 0.00 0.00 55.73 57.88 1cej s ARG 25 Cb 0.00 -2.36 -0.02 0.00 -1.56 0.00 0.00 34.95 31.02 1cej s ARG 25 CO 0.00 -1.03 -0.24 -1.21 -0.81 0.00 0.00 175.30 172.01 1cej s GLU 26 N -2.78 2.09 0.32 5.12 8.01 -1.26 0.13 118.70 130.33 1cej s GLU 26 Ca 0.68 -0.87 0.03 0.00 0.01 0.00 0.00 54.97 54.83 1cej s GLU 26 Cb -0.40 -1.95 -0.02 0.00 -4.31 0.00 0.00 34.13 27.45 1cej s GLU 26 CO 0.48 0.48 0.33 -2.00 0.01 0.00 0.00 175.26 174.56 1cej s GLU 27 N -0.46 1.75 -0.12 1.61 2.56 -1.06 -4.90 118.70 118.08 1cej s GLU 27 Ca 0.06 -1.89 0.01 0.00 0.00 0.00 0.00 54.97 53.14 1cej s GLU 27 Cb -0.10 0.36 0.02 0.00 2.00 0.00 0.00 34.13 36.41 1cej s GLU 27 CO 0.00 -0.67 -0.12 0.00 -0.56 0.00 0.00 175.26 173.91 1cej s LYS 29 N 1.39 3.34 0.99 0.00 2.20 -0.86 -4.96 119.74 121.84 1cej s LYS 29 Ca 0.01 -0.31 -0.13 0.00 -0.36 0.00 0.00 55.97 55.18 1cej s LYS 29 Cb -0.13 -3.00 0.09 0.00 -1.51 0.00 0.00 37.83 33.27 1cej s LYS 29 CO -0.07 0.63 0.52 0.00 -0.36 0.00 0.00 175.35 176.07 1cej n LEU 31 N -2.21 0.00 -4.78 0.00 4.77 0.26 -4.36 117.00 110.68 1cej n LEU 31 Ca 0.06 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 1cej n LEU 31 Cb 0.55 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1cej n LEU 31 CO 0.51 -0.57 0.73 -0.76 -1.33 0.00 0.00 177.39 175.97 1cej s LEU 32 N 0.00 3.38 -1.60 2.23 1.43 -1.26 -2.58 118.68 120.28 1cej s LEU 32 Ca 0.00 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1cej s LEU 32 Cb 0.00 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 1cej s LEU 32 CO 0.00 -1.49 0.00 0.59 0.23 0.00 0.00 176.35 175.68 1cej n ASN 33 N -2.41 -4.77 -3.92 2.29 4.13 -1.26 -4.92 115.26 104.40 1cej n ASN 33 Ca 0.10 0.37 -0.28 0.00 1.68 0.00 0.00 54.58 56.45 1cej n ASN 33 Cb 0.52 -4.04 -0.17 0.00 -1.54 0.00 0.00 39.78 34.55 1cej n ASN 33 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1cej s TYR 34 N -2.25 1.63 0.09 3.10 2.02 -1.07 -0.50 117.35 120.37 1cej s TYR 34 Ca 0.00 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 55.82 1cej s TYR 34 Cb 0.00 -1.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.27 1cej s TYR 34 CO 0.00 -0.56 0.12 0.36 -1.57 0.00 0.00 175.55 173.90 1cej n LYS 35 N 4.90 0.79 -4.23 -0.62 2.85 -0.31 -4.44 118.16 117.10 1cej n LYS 35 Ca -0.13 -0.41 -0.21 0.00 -1.05 0.00 0.00 58.31 56.52 1cej n LYS 35 Cb 0.49 -0.05 -0.16 0.00 -0.65 0.00 0.00 35.03 34.66 1cej n LYS 35 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1cej s GLN 36 N -2.51 0.96 -0.33 -1.58 0.74 -1.26 -2.00 119.66 113.68 1cej s GLN 36 Ca 0.09 -0.15 -0.02 0.00 0.05 0.00 0.00 55.36 55.33 1cej s GLN 36 Cb -0.01 -0.92 0.12 0.00 1.10 0.00 0.00 33.01 33.30 1cej s GLN 36 CO 0.06 -0.06 0.17 -2.00 -0.55 0.00 0.00 175.29 172.90 1cej s GLU 37 N 0.87 0.45 1.21 1.67 2.12 -1.11 -4.98 118.70 118.94 1cej s GLU 37 Ca -0.12 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.21 1cej s GLU 37 Cb -0.15 -1.36 0.00 0.00 0.26 0.00 0.00 34.13 32.88 1cej s GLU 37 CO 0.01 -1.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.03 1cej n GLY 38 N 4.61 1.26 0.15 -1.50 0.00 -1.26 -3.80 105.19 104.65 1cej n GLY 38 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 2.81 0.13 -3.77 1.61 9.92 -1.26 -5.06 116.55 120.93 1cej n ASP 39 Ca 0.00 -1.38 -0.15 0.00 -0.53 0.00 0.00 54.79 52.73 1cej n ASP 39 Cb 0.00 -0.07 -0.16 0.00 -0.64 0.00 0.00 41.12 40.25 1cej n ASP 39 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1cej s LYS 40 N -0.10 -0.02 0.50 -1.24 -2.85 -1.25 -5.07 119.74 109.71 1cej s LYS 40 Ca 0.01 0.21 -0.19 0.00 -1.00 0.00 0.00 55.97 55.00 1cej s LYS 40 Cb 0.01 -0.24 -0.08 0.00 -2.06 0.00 0.00 37.83 35.45 1cej s LYS 40 CO 0.00 -0.17 1.01 0.00 0.10 0.00 0.00 175.35 176.29 1cej s VAL 42 N -2.24 0.46 -0.27 0.00 -7.23 -0.85 -4.92 120.40 105.35 1cej s VAL 42 Ca 0.64 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 1cej s VAL 42 Cb -0.13 -2.39 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 1cej s VAL 42 CO 0.23 0.00 1.31 -1.61 -0.31 0.00 0.00 175.10 174.72 1cej s GLU 43 N -3.67 3.97 -0.02 4.82 2.02 -1.26 -1.16 118.70 123.39 1cej s GLU 43 Ca 0.28 1.34 -0.30 0.00 0.02 0.00 0.00 54.97 56.31 1cej s GLU 43 Cb 0.03 -3.86 -0.03 0.00 0.10 0.00 0.00 34.13 30.36 1cej s GLU 43 CO 0.17 -1.05 1.07 1.21 0.02 0.00 0.00 175.26 176.68 1cej s ASN 44 N 2.69 7.23 0.11 -0.19 3.84 0.35 -4.81 114.94 124.15 1cej s ASN 44 Ca 0.56 1.73 0.23 0.00 0.21 0.00 0.00 52.86 55.60 1cej s ASN 44 Cb -0.18 -2.57 0.16 0.00 -0.55 0.00 0.00 41.25 38.11 1cej s ASN 44 CO 0.22 -0.40 1.14 -0.81 -2.79 0.00 0.00 177.10 174.45 1cej n PRO 45 N 4.40 0.36 -3.09 0.43 -0.05 -1.26 -4.66 135.00 131.14 1cej n PRO 45 Ca 0.08 0.06 -0.10 0.00 -0.05 0.00 0.00 63.50 63.49 1cej n PRO 45 Cb 0.49 -1.68 -0.03 0.00 -0.05 0.00 0.00 33.50 32.23 1cej n PRO 45 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1cej s ASN 46 N -4.37 -0.43 0.47 3.54 2.20 -1.26 -4.95 114.94 110.14 1cej s ASN 46 Ca 0.04 -1.74 -0.02 0.00 -0.94 0.00 0.00 52.86 50.20 1cej s ASN 46 Cb 0.13 1.23 -0.01 0.00 -2.00 0.00 0.00 41.25 40.60 1cej s ASN 46 CO 0.77 -0.14 0.73 -2.16 -2.94 0.00 0.00 177.10 173.36 1cej s PRO 47 N 1.05 3.17 0.00 3.55 0.05 -1.26 -5.11 135.00 136.45 1cej s PRO 47 Ca 0.25 -0.24 0.00 0.00 0.05 0.00 0.00 61.00 61.06 1cej s PRO 47 Cb -0.03 -2.47 0.00 0.00 0.05 0.00 0.00 34.50 32.04 1cej s PRO 47 CO -0.07 -0.30 0.00 -2.37 0.05 0.00 0.00 177.00 174.30 1cej n THR 48 N -2.19 0.00 -0.05 1.26 5.66 -1.26 -5.03 114.28 112.67 1cej n THR 48 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1cej n THR 48 Cb 0.57 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.20 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 -2.42 0.41 -2.07 0.00 4.05 -1.26 -2.12 115.26 111.85 1cej n ASN 50 Ca -0.16 0.68 -0.09 0.00 0.45 0.00 0.00 54.58 55.46 1cej n ASN 50 Cb 0.79 -0.74 -0.13 0.00 1.23 0.00 0.00 39.78 40.94 1cej n ASN 50 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1cej n GLU 51 N -2.04 1.53 -3.99 1.20 1.02 -1.26 -4.66 120.64 112.43 1cej n GLU 51 Ca -0.01 -0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 55.98 1cej n GLU 51 Cb 0.05 -1.84 0.02 0.00 -0.02 0.00 0.00 31.44 29.65 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 2.54 -4.39 -2.37 1.62 0.23 -1.13 -1.97 115.26 109.80 1cej n ASN 52 Ca 0.32 -1.21 -0.08 0.00 -0.53 0.00 0.00 54.58 53.07 1cej n ASN 52 Cb 0.71 -1.81 0.04 0.00 -2.08 0.00 0.00 39.78 36.64 1cej n ASN 52 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1cej n ASN 53 N -2.27 -3.54 -0.01 0.53 4.05 -0.90 -4.89 115.26 108.23 1cej n ASN 53 Ca -0.15 -0.36 -0.16 0.00 0.45 0.00 0.00 54.58 54.36 1cej n ASN 53 Cb 0.59 -2.96 -0.12 0.00 1.23 0.00 0.00 39.78 38.52 1cej n ASN 53 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1cej h GLY 54 N -0.73 0.29 2.00 8.20 0.00 -1.41 -3.22 103.07 108.20 1cej h GLY 54 Ca -0.32 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1cej h GLY 54 CO 0.24 0.48 0.00 -1.33 0.00 0.00 0.00 176.54 175.93 1cej h GLY 55 N -0.37 0.00 -1.70 4.60 0.00 -1.79 -3.46 103.07 100.35 1cej h GLY 55 Ca -0.06 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.72 1cej h GLY 55 CO 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 176.54 176.20 1cej n ASP 57 N -1.44 0.00 0.00 0.00 5.75 -1.22 -4.77 116.55 114.87 1cej n ASP 57 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1cej n ASP 57 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1cej n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cej n ALA 58 N -3.00 0.00 0.00 2.12 0.00 -1.26 -4.79 120.51 113.58 1cej n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cej n ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cej n ALA 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cej n ASP 59 N 0.00 1.11 -3.93 0.00 8.00 -1.26 -4.98 116.55 115.49 1cej n ASP 59 Ca 0.00 -0.08 -0.30 0.00 0.71 0.00 0.00 54.79 55.12 1cej n ASP 59 Cb 0.00 0.38 0.23 0.00 -0.02 0.00 0.00 41.12 41.71 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cej s ALA 60 N -0.60 0.61 -0.26 2.24 0.00 -1.26 -4.88 121.76 117.61 1cej s ALA 60 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1cej s ALA 60 Cb 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 1cej s ALA 60 CO 0.00 -3.52 0.16 0.15 0.00 0.00 0.00 175.76 172.55 1cej s LYS 61 N -5.33 3.94 0.22 0.00 1.02 -0.99 -4.84 119.74 113.76 1cej s LYS 61 Ca 0.70 -0.33 -0.10 0.00 0.02 0.00 0.00 55.97 56.25 1cej s LYS 61 Cb -0.11 -3.56 -0.07 0.00 -0.52 0.00 0.00 37.83 33.57 1cej s LYS 61 CO 0.56 -0.10 0.55 0.00 -0.92 0.00 0.00 175.35 175.45 1cej s THR 63 N -1.77 0.08 -0.02 0.00 -4.23 -0.92 -4.98 115.64 103.81 1cej s THR 63 Ca 0.46 -0.66 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 1cej s THR 63 Cb -0.12 -0.48 0.03 0.00 1.34 0.00 0.00 72.50 73.28 1cej s THR 63 CO 0.21 -0.36 0.84 -1.84 -0.54 0.00 0.00 174.62 172.93 1cej n GLU 64 N 1.39 0.43 -1.45 3.99 0.28 -1.26 -1.42 120.64 122.60 1cej n GLU 64 Ca -0.22 -1.06 -0.29 0.00 -0.16 0.00 0.00 57.16 55.42 1cej n GLU 64 Cb 0.56 -0.67 0.13 0.00 1.43 0.00 0.00 31.44 32.89 1cej n GLU 64 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1cej s GLU 65 N -0.44 1.23 0.52 3.44 2.02 -1.26 -4.80 118.70 119.41 1cej s GLU 65 Ca 0.04 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.48 1cej s GLU 65 Cb 0.03 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.43 1cej s GLU 65 CO 0.00 -2.17 0.00 -0.40 0.02 0.00 0.00 175.26 172.72 1cej n ASP 66 N -3.77 -8.21 -1.08 -0.19 5.68 -1.26 -4.92 116.55 102.79 1cej n ASP 66 Ca 0.06 1.15 -0.01 0.00 -0.50 0.00 0.00 54.79 55.50 1cej n ASP 66 Cb 0.58 -4.74 -0.00 0.00 -1.14 0.00 0.00 41.12 35.82 1cej n ASP 66 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1cej n SER 67 N -4.34 -0.07 0.00 -1.12 7.64 -1.26 -4.71 113.62 109.76 1cej n SER 67 Ca -0.06 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.74 1cej n SER 67 Cb 0.68 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 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 -0.02 0.07 0.00 0.23 0.00 -1.26 -5.07 105.19 99.14 1cej n GLY 68 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cej n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cej n SER 69 N 0.00 0.00 -0.05 1.61 2.88 -1.26 -5.05 113.62 111.75 1cej n SER 69 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1cej n SER 69 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1cej n SER 69 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1cej n ASN 70 N 0.00 2.86 0.00 -3.46 4.05 -1.26 -4.99 115.26 112.46 1cej n ASN 70 Ca 0.00 -0.02 0.00 0.00 0.45 0.00 0.00 54.58 55.01 1cej n ASN 70 Cb 0.00 0.37 0.00 0.00 1.23 0.00 0.00 39.78 41.38 1cej n ASN 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cej n GLY 71 N 2.63 0.32 3.52 8.20 0.00 -1.26 -5.06 105.19 113.53 1cej n GLY 71 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1cej n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cej s LYS 72 N 2.20 2.94 0.12 1.61 3.01 -1.26 -5.00 119.74 123.37 1cej s LYS 72 Ca 0.00 -0.59 -0.12 0.00 -1.01 0.00 0.00 55.97 54.24 1cej s LYS 72 Cb 0.00 -2.60 -0.06 0.00 -1.01 0.00 0.00 37.83 34.15 1cej s LYS 72 CO 0.00 0.52 0.49 0.21 0.51 0.00 0.00 175.35 177.08 1cej s LYS 73 N -0.44 3.89 -0.11 1.68 2.36 -1.26 -4.97 119.74 120.89 1cej s LYS 73 Ca 0.06 0.36 -0.03 0.00 -2.55 0.00 0.00 55.97 53.81 1cej s LYS 73 Cb -0.12 -2.95 0.04 0.00 -1.05 0.00 0.00 37.83 33.75 1cej s LYS 73 CO 0.02 0.51 0.04 0.42 1.55 0.00 0.00 175.35 177.89 1cej s ILE 74 N -1.45 0.15 0.51 5.43 -1.09 -1.26 -4.64 121.20 118.86 1cej s ILE 74 Ca 0.36 0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.84 1cej s ILE 74 Cb -0.14 -0.52 0.00 0.00 -1.58 0.00 0.00 42.46 40.22 1cej s ILE 74 CO 0.19 0.03 0.15 -0.89 -1.23 0.00 0.00 174.94 173.19 1cej s THR 75 N 2.05 1.42 0.17 2.92 2.01 -0.51 -5.01 115.64 118.68 1cej s THR 75 Ca 0.03 -1.80 -0.19 0.00 0.31 0.00 0.00 61.69 60.04 1cej s THR 75 Cb -0.14 -2.22 0.04 0.00 0.01 0.00 0.00 72.50 70.19 1cej s THR 75 CO -0.06 0.00 0.51 0.00 -0.69 0.00 0.00 174.62 174.38 1cej s GLU 77 N -3.82 0.43 -0.64 0.00 2.12 -0.61 -4.98 118.70 111.19 1cej s GLU 77 Ca 0.05 0.34 -0.27 0.00 0.36 0.00 0.00 54.97 55.45 1cej s GLU 77 Cb -0.00 -0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.19 1cej s GLU 77 CO -0.08 -0.92 1.44 0.00 -0.54 0.00 0.00 175.26 175.17 1cej n THR 79 N 6.73 1.96 -4.55 0.00 5.66 -1.26 -4.81 114.28 118.02 1cej n THR 79 Ca 0.10 -0.66 -0.25 0.00 -3.05 0.00 0.00 64.05 60.19 1cej n THR 79 Cb 0.50 -1.56 -0.11 0.00 -1.55 0.00 0.00 70.33 67.60 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 0.53 1.82 -0.13 1.09 -0.14 -1.26 -5.07 119.74 116.58 1cej s LYS 80 Ca 0.15 -2.00 -0.16 0.00 -1.36 0.00 0.00 55.97 52.61 1cej s LYS 80 Cb 0.07 -1.44 -0.25 0.00 -1.68 0.00 0.00 37.83 34.53 1cej s LYS 80 CO 0.00 -0.03 0.46 -1.00 -0.76 0.00 0.00 175.35 174.02 1cej h PRO 81 N 1.95 0.19 -0.59 -1.68 0.14 -1.90 -3.31 132.00 126.80 1cej h PRO 81 Ca -0.42 -0.33 0.00 0.00 0.14 0.00 0.00 66.00 65.39 1cej h PRO 81 Cb 1.24 0.12 0.00 0.00 0.14 0.00 0.00 31.00 32.50 1cej h PRO 81 CO 0.75 1.16 0.00 -0.25 0.14 0.00 0.00 178.00 179.80 1cej n ASP 82 N -3.97 1.01 -4.57 1.44 9.92 -1.26 -4.81 116.55 114.31 1cej n ASP 82 Ca -0.27 -2.05 -0.40 0.00 -0.53 0.00 0.00 54.79 51.54 1cej n ASP 82 Cb 0.87 -0.32 -0.03 0.00 -0.64 0.00 0.00 41.12 41.00 1cej n ASP 82 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1cej s SER 83 N -0.46 5.17 -0.55 -2.24 1.04 -1.12 -3.32 113.70 112.22 1cej s SER 83 Ca 0.05 1.20 0.07 0.00 0.48 0.00 0.00 55.95 57.75 1cej s SER 83 Cb 0.03 -2.51 0.25 0.00 0.10 0.00 0.00 66.02 63.89 1cej s SER 83 CO 0.02 -2.29 0.68 -1.22 0.98 0.00 0.00 173.24 171.41 1cej n TYR 84 N 13.00 2.27 -0.75 5.02 4.02 -1.26 -4.73 117.16 134.74 1cej n TYR 84 Ca 0.29 -3.95 -0.24 0.00 -0.01 0.00 0.00 57.90 53.99 1cej n TYR 84 Cb 0.50 -0.49 0.01 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.99 0.00 -0.01 -0.72 -0.01 -1.26 -4.25 135.00 129.73 1cej n PRO 85 Ca 0.27 0.00 -0.03 0.00 -0.01 0.00 0.00 63.50 63.73 1cej n PRO 85 Cb 0.45 -0.61 -0.01 0.00 -0.01 0.00 0.00 33.50 33.32 1cej n PRO 85 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 1cej n LEU 86 N 1.58 1.23 -0.00 2.45 4.77 -1.26 -4.79 117.00 120.97 1cej n LEU 86 Ca 0.04 0.02 0.06 0.00 -0.03 0.00 0.00 56.01 56.10 1cej n LEU 86 Cb 0.29 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1cej n LEU 86 CO 0.33 0.24 -0.22 0.49 -1.33 0.00 0.00 177.39 176.89 1cej n PHE 87 N -2.93 0.00 0.00 -1.77 3.72 -1.26 -4.96 117.46 110.26 1cej n PHE 87 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1cej n PHE 87 Cb 0.54 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1cej n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cej n ASP 88 N -1.48 0.00 0.00 4.37 2.03 -1.26 -4.94 116.55 115.26 1cej n ASP 88 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1cej n ASP 88 Cb 0.23 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.00 0.00 1.00 0.27 0.00 -1.26 -4.81 105.19 100.39 1cej n GLY 89 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 1.05 -2.60 -0.61 -5.35 -1.26 -3.37 119.36 107.22 1cej n ILE 90 Ca 0.00 -0.60 -0.02 0.00 -0.27 0.00 0.00 62.75 61.86 1cej n ILE 90 Cb 0.00 -0.22 0.07 0.00 -1.74 0.00 0.00 39.64 37.76 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 0.35 -0.88 -1.62 4.28 3.72 -1.26 -3.59 117.46 118.47 1cej n PHE 91 Ca 0.13 -1.56 -0.47 0.00 -0.05 0.00 0.00 57.45 55.50 1cej n PHE 91 Cb 0.58 0.89 -0.05 0.00 -0.94 0.00 0.00 39.48 39.97 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 8.42 1.31 -3.52 0.00 2.88 -1.21 -4.70 113.62 116.80 1cej n SER 93 Ca 0.27 0.75 -0.12 0.00 -1.33 0.00 0.00 58.87 58.44 1cej n SER 93 Cb 0.33 -1.49 -0.04 0.00 -0.75 0.00 0.00 64.21 62.27 1cej n SER 93 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1cej s SER 94 N -1.53 -0.46 -0.30 -3.46 1.04 -1.26 -2.80 113.70 104.93 1cej s SER 94 Ca 0.78 0.29 -0.12 0.00 0.48 0.00 0.00 55.95 57.38 1cej s SER 94 Cb -0.36 0.42 0.18 0.00 0.10 0.00 0.00 66.02 66.36 1cej s SER 94 CO 0.45 -0.58 1.05 -0.55 0.98 0.00 0.00 173.24 174.60 1cej s SER 95 N -1.79 -0.42 0.00 7.02 0.15 -1.26 -4.99 113.70 112.40 1cej s SER 95 Ca -0.01 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1cej s SER 95 Cb -0.01 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 1cej s SER 95 CO -0.02 -0.08 0.00 0.59 1.20 0.00 0.00 173.24 174.93