#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 4.99 -0.32 2.41 -1.09 -1.26 -4.85 121.20 121.08 1cej s ILE 2 Ca 0.00 -2.66 0.07 0.00 -2.23 0.00 0.00 60.65 55.83 1cej s ILE 2 Cb 0.00 -4.12 0.47 0.00 -1.58 0.00 0.00 42.46 37.23 1cej s ILE 2 CO 0.00 -0.98 1.40 -0.24 -1.23 0.00 0.00 174.94 173.88 1cej n SER 3 N 3.77 3.72 -3.68 3.58 2.88 -1.26 -4.81 113.62 117.82 1cej n SER 3 Ca 0.12 -3.80 -0.14 0.00 -1.33 0.00 0.00 58.87 53.72 1cej n SER 3 Cb 0.44 -0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 63.25 1cej n SER 3 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1cej s GLN 4 N -3.43 0.67 0.00 -1.46 0.74 -1.26 -4.86 119.66 110.06 1cej s GLN 4 Ca 0.48 0.54 0.00 0.00 0.05 0.00 0.00 55.36 56.43 1cej s GLN 4 Cb 0.41 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.85 1cej s GLN 4 CO -0.00 -0.12 0.00 -2.39 -0.55 0.00 0.00 175.29 172.23 1cej n HIS 5 N 2.36 0.00 -1.76 1.67 1.44 -1.26 -4.73 115.22 112.94 1cej n HIS 5 Ca -0.15 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.37 1cej n HIS 5 Cb 0.56 -0.55 -0.06 0.00 0.12 0.00 0.00 29.99 30.06 1cej n HIS 5 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1cej s GLN 6 N -0.07 1.95 0.70 -1.40 -0.44 -1.26 -4.05 119.66 115.09 1cej s GLN 6 Ca 0.00 0.15 -0.11 0.00 -2.50 0.00 0.00 55.36 52.89 1cej s GLN 6 Cb 0.00 -4.90 0.01 0.00 -1.64 0.00 0.00 33.01 26.48 1cej s GLN 6 CO 0.00 -4.08 1.10 0.00 0.50 0.00 0.00 175.29 172.80 1cej n VAL 8 N -3.00 0.00 0.00 0.00 0.31 -1.26 -5.07 118.33 109.31 1cej n VAL 8 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1cej n VAL 8 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1cej n VAL 8 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1cej n LYS 9 N 0.00 0.00 0.00 5.55 5.02 -1.26 -4.96 118.16 122.51 1cej n LYS 9 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1cej n LYS 9 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 1cej n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1cej n LYS 10 N -0.08 0.00 -2.92 1.97 5.02 -1.26 -4.72 118.16 116.17 1cej n LYS 10 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1cej n LYS 10 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1cej n LYS 10 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1cej n GLN 11 N -1.15 0.54 -3.08 1.97 7.27 -1.26 -5.11 117.38 116.55 1cej n GLN 11 Ca 0.00 -2.31 -0.42 0.00 0.07 0.00 0.00 57.00 54.35 1cej n GLN 11 Cb 0.00 -1.49 -0.06 0.00 2.41 0.00 0.00 30.24 31.10 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 2.73 1.32 1.29 0.00 0.04 -1.26 -4.93 135.00 134.20 1cej s PRO 13 Ca 0.26 -0.81 -0.19 0.00 0.04 0.00 0.00 61.00 60.30 1cej s PRO 13 Cb -0.14 -2.14 0.30 0.00 0.04 0.00 0.00 34.50 32.55 1cej s PRO 13 CO 0.13 -1.80 0.70 1.04 0.04 0.00 0.00 177.00 177.11 1cej n GLN 14 N -3.19 -3.63 -1.45 4.56 1.13 -1.26 -2.72 117.38 110.82 1cej n GLN 14 Ca 0.15 -1.07 -0.16 0.00 -1.94 0.00 0.00 57.00 53.98 1cej n GLN 14 Cb 0.60 -1.83 -0.07 0.00 0.11 0.00 0.00 30.24 29.05 1cej n GLN 14 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1cej n ASN 15 N -4.24 -4.68 -3.59 1.08 3.02 -1.26 -4.86 115.26 100.73 1cej n ASN 15 Ca 0.09 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1cej n ASN 15 Cb 0.53 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 35.57 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 -2.42 -0.32 0.31 6.41 0.15 -1.10 -2.21 113.70 114.52 1cej s SER 16 Ca 0.00 0.49 0.08 0.00 0.70 0.00 0.00 55.95 57.22 1cej s SER 16 Cb 0.00 1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 65.45 1cej s SER 16 CO 0.00 -0.08 0.20 -0.83 1.20 0.00 0.00 173.24 173.74 1cej s GLY 17 N 1.40 1.71 0.76 9.45 0.00 -0.40 -4.25 107.32 116.00 1cej s GLY 17 Ca -0.07 -1.64 -0.11 0.00 0.00 0.00 0.00 44.72 42.90 1cej s GLY 17 CO -0.13 -1.61 1.08 0.00 0.00 0.00 0.00 173.10 172.44 1cej s PHE 19 N -3.03 -0.92 -0.24 0.00 5.36 -0.48 -4.73 117.98 113.94 1cej s PHE 19 Ca 0.60 1.35 -0.29 0.00 -0.96 0.00 0.00 56.93 57.63 1cej s PHE 19 Cb -0.15 0.46 -0.03 0.00 -0.34 0.00 0.00 43.02 42.96 1cej s PHE 19 CO 0.55 -0.47 1.72 0.50 -1.46 0.00 0.00 175.22 176.06 1cej s ARG 20 N 2.69 3.64 0.33 10.12 3.52 -1.26 -2.59 118.95 135.41 1cej s ARG 20 Ca 0.01 1.65 -0.28 0.00 -0.13 0.00 0.00 55.73 56.99 1cej s ARG 20 Cb -0.09 -4.11 -0.13 0.00 -1.56 0.00 0.00 34.95 29.06 1cej s ARG 20 CO -0.17 -1.49 1.16 0.72 -0.81 0.00 0.00 175.30 174.71 1cej n HIS 21 N 9.11 1.80 0.39 5.12 8.25 0.26 -4.53 115.22 135.62 1cej n HIS 21 Ca 0.21 0.61 0.04 0.00 -0.26 0.00 0.00 57.72 58.31 1cej n HIS 21 Cb 0.45 -2.34 0.20 0.00 1.12 0.00 0.00 29.99 29.43 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 0.90 0.00 -2.25 2.41 4.32 -1.26 -1.78 117.00 119.34 1cej n LEU 22 Ca 0.07 0.25 -0.27 0.00 -0.02 0.00 0.00 56.01 56.04 1cej n LEU 22 Cb 0.35 -0.25 0.15 0.00 -1.62 0.00 0.00 43.42 42.05 1cej n LEU 22 CO 0.61 -0.19 1.33 -0.90 -1.22 0.00 0.00 177.39 177.02 1cej n ASP 23 N -1.25 4.90 -1.68 -1.43 5.75 -1.26 -4.84 116.55 116.74 1cej n ASP 23 Ca 0.04 -3.64 -0.18 0.00 -0.01 0.00 0.00 54.79 51.00 1cej n ASP 23 Cb 0.06 -0.88 -0.04 0.00 -1.03 0.00 0.00 41.12 39.23 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 -1.06 -1.32 -4.12 0.11 -0.58 -0.73 -4.98 120.64 107.95 1cej n GLU 24 Ca 0.60 1.00 -0.27 0.00 -0.42 0.00 0.00 57.16 58.07 1cej n GLU 24 Cb 1.37 -5.37 -0.04 0.00 -0.57 0.00 0.00 31.44 26.84 1cej n GLU 24 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1cej s ARG 25 N -4.17 2.25 -0.06 3.49 0.52 -1.14 -4.94 118.95 114.90 1cej s ARG 25 Ca 0.00 -2.05 -0.01 0.00 -0.52 0.00 0.00 55.73 53.15 1cej s ARG 25 Cb 0.00 -1.96 0.03 0.00 0.52 0.00 0.00 34.95 33.54 1cej s ARG 25 CO 0.00 -0.44 0.00 -1.21 0.02 0.00 0.00 175.30 173.67 1cej s GLU 26 N -4.11 0.48 0.14 3.54 2.02 -1.26 0.90 118.70 120.40 1cej s GLU 26 Ca 0.30 0.11 -0.13 0.00 0.02 0.00 0.00 54.97 55.27 1cej s GLU 26 Cb -0.00 -0.79 0.02 0.00 0.10 0.00 0.00 34.13 33.45 1cej s GLU 26 CO 0.18 -0.25 0.35 -1.21 0.02 0.00 0.00 175.26 174.35 1cej s GLU 27 N 1.68 1.09 -0.33 1.61 8.01 -1.07 -4.88 118.70 124.82 1cej s GLU 27 Ca 0.00 -0.89 -0.11 0.00 0.01 0.00 0.00 54.97 53.98 1cej s GLU 27 Cb -0.13 0.43 -0.01 0.00 -4.31 0.00 0.00 34.13 30.11 1cej s GLU 27 CO -0.04 -0.41 0.20 0.00 0.01 0.00 0.00 175.26 175.02 1cej s LYS 29 N 1.66 3.92 1.02 0.00 2.20 -0.46 -4.85 119.74 123.22 1cej s LYS 29 Ca 0.05 0.41 -0.13 0.00 -0.36 0.00 0.00 55.97 55.94 1cej s LYS 29 Cb -0.17 -3.22 0.13 0.00 -1.51 0.00 0.00 37.83 33.06 1cej s LYS 29 CO 0.08 0.69 0.68 0.00 -0.36 0.00 0.00 175.35 176.44 1cej n LEU 31 N -3.00 0.00 -4.77 0.00 4.77 -0.94 -4.55 117.00 108.51 1cej n LEU 31 Ca 0.06 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.72 1cej n LEU 31 Cb 0.55 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.70 1cej n LEU 31 CO 0.52 -0.46 0.72 -0.76 -1.33 0.00 0.00 177.39 176.08 1cej s LEU 32 N 0.00 3.26 -1.02 2.23 1.43 -1.26 -2.45 118.68 120.88 1cej s LEU 32 Ca 0.00 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 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 -1.73 0.00 0.59 0.23 0.00 0.00 176.35 175.44 1cej n ASN 33 N -2.80 -5.70 -3.89 2.29 5.03 -1.26 -4.92 115.26 104.01 1cej n ASN 33 Ca 0.10 0.24 -0.27 0.00 0.87 0.00 0.00 54.58 55.51 1cej n ASN 33 Cb 0.52 -4.05 -0.17 0.00 -1.02 0.00 0.00 39.78 35.07 1cej n ASN 33 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1cej s TYR 34 N -1.84 1.54 0.05 3.10 2.02 -1.02 0.72 117.35 121.91 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 -1.25 0.01 0.00 -0.40 0.00 0.00 41.96 40.32 1cej s TYR 34 CO 0.00 -0.56 0.05 0.36 -1.57 0.00 0.00 175.55 173.83 1cej n LYS 35 N 4.92 1.13 -4.44 -0.62 2.85 -0.43 -4.44 118.16 117.13 1cej n LYS 35 Ca -0.12 -0.26 -0.33 0.00 -1.05 0.00 0.00 58.31 56.55 1cej n LYS 35 Cb 0.49 -0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.76 1cej n LYS 35 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1cej s GLN 36 N -2.20 2.72 -0.46 -1.58 -0.21 -1.26 -1.53 119.66 115.13 1cej s GLN 36 Ca 0.04 -0.61 0.07 0.00 0.02 0.00 0.00 55.36 54.88 1cej s GLN 36 Cb -0.00 -2.61 0.25 0.00 1.00 0.00 0.00 33.01 31.66 1cej s GLN 36 CO 0.03 0.64 0.82 -1.91 -2.12 0.00 0.00 175.29 172.75 1cej n GLU 37 N 1.75 0.80 0.00 2.91 2.13 -1.18 -4.81 120.64 122.23 1cej n GLU 37 Ca -0.16 -2.15 0.00 0.00 0.66 0.00 0.00 57.16 55.51 1cej n GLU 37 Cb 0.53 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.86 1cej n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cej n GLY 38 N 1.41 0.99 0.02 8.31 0.00 -1.26 -4.24 105.19 110.41 1cej n GLY 38 Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 1.90 -3.79 1.61 8.00 -1.26 -4.99 116.55 118.01 1cej n ASP 39 Ca 0.00 -1.87 -0.14 0.00 0.71 0.00 0.00 54.79 53.49 1cej n ASP 39 Cb 0.00 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 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 -0.88 0.05 0.27 -1.24 -2.85 -1.26 -5.13 119.74 108.69 1cej s LYS 40 Ca 0.01 0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 54.90 1cej s LYS 40 Cb 0.00 -0.12 -0.09 0.00 -2.06 0.00 0.00 37.83 35.56 1cej s LYS 40 CO 0.00 -0.11 1.23 0.00 0.10 0.00 0.00 175.35 176.57 1cej s VAL 42 N -0.71 1.61 0.03 0.00 -7.23 -0.59 -4.87 120.40 108.63 1cej s VAL 42 Ca 0.50 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 58.92 1cej s VAL 42 Cb -0.36 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1cej s VAL 42 CO 0.44 0.00 1.08 -0.70 -0.31 0.00 0.00 175.10 175.61 1cej s GLU 43 N -4.35 4.50 -0.38 4.82 2.12 -1.26 -1.31 118.70 122.83 1cej s GLU 43 Ca 0.36 1.58 -0.18 0.00 0.36 0.00 0.00 54.97 57.09 1cej s GLU 43 Cb -0.03 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.96 1cej s GLU 43 CO 0.23 -0.15 0.51 1.21 -0.54 0.00 0.00 175.26 176.51 1cej s ASN 44 N 1.04 6.28 0.12 -1.70 3.84 0.22 -4.72 114.94 120.02 1cej s ASN 44 Ca 0.55 -0.24 0.24 0.00 0.21 0.00 0.00 52.86 53.62 1cej s ASN 44 Cb -0.25 -2.26 0.28 0.00 -0.55 0.00 0.00 41.25 38.47 1cej s ASN 44 CO 0.28 -0.54 1.27 1.55 -2.79 0.00 0.00 177.10 176.87 1cej h PRO 45 N 8.59 0.00 -2.49 0.43 0.14 -1.94 -3.41 132.00 133.31 1cej h PRO 45 Ca -0.27 0.00 -0.59 0.00 0.14 0.00 0.00 66.00 65.27 1cej h PRO 45 Cb 1.12 0.00 -0.39 0.00 0.14 0.00 0.00 31.00 31.87 1cej h PRO 45 CO 0.79 0.00 -0.91 1.21 0.14 0.00 0.00 178.00 179.23 1cej s ASN 46 N -4.32 2.04 -0.39 1.44 3.84 -1.26 -4.91 114.94 111.37 1cej s ASN 46 Ca 0.05 -3.12 -0.22 0.00 0.21 0.00 0.00 52.86 49.78 1cej s ASN 46 Cb 0.13 -0.62 0.01 0.00 -0.55 0.00 0.00 41.25 40.23 1cej s ASN 46 CO 0.73 -0.17 0.74 -2.16 -2.79 0.00 0.00 177.10 173.46 1cej s PRO 47 N -0.09 3.60 0.32 0.43 0.05 -1.26 -5.01 135.00 133.04 1cej s PRO 47 Ca 0.31 0.09 0.07 0.00 0.05 0.00 0.00 61.00 61.51 1cej s PRO 47 Cb 0.00 -3.86 -0.02 0.00 0.05 0.00 0.00 34.50 30.68 1cej s PRO 47 CO -0.18 -0.91 0.36 0.99 0.05 0.00 0.00 177.00 177.30 1cej s THR 48 N 3.06 3.90 -0.05 1.26 2.01 -1.26 -4.57 115.64 119.98 1cej s THR 48 Ca 0.29 -1.21 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1cej s THR 48 Cb -0.13 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1cej s THR 48 CO 0.18 -0.19 -0.02 0.00 -0.69 0.00 0.00 174.62 173.90 1cej n ASN 50 N -2.44 0.00 -2.51 0.00 5.15 -1.26 -2.67 115.26 111.54 1cej n ASN 50 Ca -0.08 0.32 -0.24 0.00 -0.60 0.00 0.00 54.58 53.98 1cej n ASN 50 Cb 0.61 -0.39 -0.10 0.00 -0.53 0.00 0.00 39.78 39.38 1cej n ASN 50 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1cej n GLU 51 N -1.39 2.66 -3.92 1.20 0.28 -1.26 -4.75 120.64 113.46 1cej n GLU 51 Ca 0.03 -1.89 -0.37 0.00 -0.16 0.00 0.00 57.16 54.78 1cej n GLU 51 Cb 0.09 -2.23 0.02 0.00 1.43 0.00 0.00 31.44 30.75 1cej n GLU 51 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1cej n ASN 52 N 2.01 -4.60 -2.33 -1.84 6.94 -1.19 -3.58 115.26 110.68 1cej n ASN 52 Ca 0.52 -1.13 -0.05 0.00 -0.02 0.00 0.00 54.58 53.90 1cej n ASN 52 Cb 0.63 -1.92 0.01 0.00 -2.36 0.00 0.00 39.78 36.14 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 -2.35 -5.68 0.13 0.53 2.85 -1.09 -4.92 115.26 104.73 1cej n ASN 53 Ca -0.18 0.36 -0.14 0.00 -0.11 0.00 0.00 54.58 54.51 1cej n ASN 53 Cb 0.61 -3.72 -0.06 0.00 1.24 0.00 0.00 39.78 37.85 1cej n ASN 53 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1cej h GLY 54 N 1.26 -0.66 -0.58 8.20 0.00 -1.55 -3.38 103.07 106.36 1cej h GLY 54 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1cej h GLY 54 CO 0.12 -0.26 -0.12 0.61 0.00 0.00 0.00 176.54 176.89 1cej n GLY 55 N -1.43 0.16 3.91 4.60 0.00 -1.26 -4.98 105.19 106.20 1cej n GLY 55 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.26 3.47 -0.24 0.00 2.03 -1.14 -4.82 116.55 112.58 1cej n ASP 57 Ca 0.09 1.09 0.17 0.00 0.52 0.00 0.00 54.79 56.65 1cej n ASP 57 Cb 0.61 -1.50 0.47 0.00 -0.72 0.00 0.00 41.12 39.98 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 5.97 2.08 -0.02 -1.67 0.00 -1.91 1.05 119.26 124.76 1cej h ALA 58 Ca -0.44 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1cej h ALA 58 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1cej h ALA 58 CO 0.89 -0.35 0.00 -3.47 0.00 0.00 0.00 179.25 176.32 1cej n ASP 59 N -4.53 0.96 -4.73 0.00 -0.08 -1.26 -4.87 116.55 102.04 1cej n ASP 59 Ca 0.18 -1.34 -0.21 0.00 -1.51 0.00 0.00 54.79 51.91 1cej n ASP 59 Cb 0.62 -0.01 0.03 0.00 2.34 0.00 0.00 41.12 44.11 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cej n ALA 60 N -0.24 1.00 -3.60 -1.67 0.00 0.36 -4.54 120.51 111.81 1cej n ALA 60 Ca 0.20 -2.03 -0.33 0.00 0.00 0.00 0.00 53.44 51.28 1cej n ALA 60 Cb 0.26 0.69 -0.15 0.00 0.00 0.00 0.00 19.45 20.25 1cej n ALA 60 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cej s LYS 61 N -4.32 3.19 0.16 0.00 -0.14 -0.81 -4.76 119.74 113.06 1cej s LYS 61 Ca 0.44 -0.75 -0.30 0.00 -1.36 0.00 0.00 55.97 54.01 1cej s LYS 61 Cb -0.04 -2.68 -0.07 0.00 -1.68 0.00 0.00 37.83 33.37 1cej s LYS 61 CO 0.28 -0.07 0.97 0.00 -0.76 0.00 0.00 175.35 175.78 1cej s THR 63 N -0.44 0.10 -0.03 0.00 -4.23 -0.89 -4.75 115.64 105.40 1cej s THR 63 Ca 0.45 -0.85 0.04 0.00 -1.18 0.00 0.00 61.69 60.15 1cej s THR 63 Cb -0.25 -0.62 0.06 0.00 1.34 0.00 0.00 72.50 73.03 1cej s THR 63 CO 0.31 -0.47 0.88 -1.84 -0.54 0.00 0.00 174.62 172.97 1cej n GLU 64 N 1.16 0.91 -0.27 3.99 0.28 -1.26 -1.97 120.64 123.47 1cej n GLU 64 Ca -0.21 -1.28 -0.23 0.00 -0.16 0.00 0.00 57.16 55.27 1cej n GLU 64 Cb 0.57 -0.81 0.23 0.00 1.43 0.00 0.00 31.44 32.85 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 -0.40 -3.62 -1.33 3.44 1.02 -1.26 -2.96 120.64 115.53 1cej n GLU 65 Ca 0.03 -1.11 -0.13 0.00 -0.02 0.00 0.00 57.16 55.93 1cej n GLU 65 Cb 0.53 -1.59 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 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 -4.30 -4.65 0.04 1.62 -0.08 -1.26 -4.60 116.55 103.32 1cej n ASP 66 Ca 0.11 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 1cej n ASP 66 Cb 0.46 -3.82 0.00 0.00 2.34 0.00 0.00 41.12 40.10 1cej n ASP 66 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1cej n SER 67 N -0.80 -0.01 0.00 1.67 7.64 -1.16 -5.01 113.62 115.95 1cej n SER 67 Ca -0.13 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cej n SER 67 Cb 0.53 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 1.71 1.50 7.00 0.23 0.00 -1.24 -5.03 105.19 109.37 1cej n GLY 68 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.83 -0.13 1.61 2.88 -1.26 -4.49 113.62 108.40 1cej n SER 69 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1cej n SER 69 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 -3.19 1.96 0.00 -3.46 2.85 -1.26 -4.89 115.26 107.27 1cej n ASN 70 Ca 0.00 0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1cej n ASN 70 Cb 0.00 -0.74 0.00 0.00 1.24 0.00 0.00 39.78 40.28 1cej n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cej n GLY 71 N 1.54 0.55 1.30 8.20 0.00 -1.26 -4.72 105.19 110.80 1cej n GLY 71 Ca -0.50 0.00 0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.61 -1.23 1.61 4.01 -1.26 -4.70 118.16 113.98 1cej n LYS 72 Ca 0.00 1.73 -0.34 0.00 -0.51 0.00 0.00 58.31 59.19 1cej n LYS 72 Cb 0.00 -3.19 0.11 0.00 -0.51 0.00 0.00 35.03 31.44 1cej n LYS 72 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1cej n LYS 73 N -3.85 0.35 -4.52 1.97 4.01 -1.26 -4.91 118.16 109.93 1cej n LYS 73 Ca 0.01 0.19 -0.22 0.00 -0.51 0.00 0.00 58.31 57.77 1cej n LYS 73 Cb 0.65 -2.35 -0.16 0.00 -0.51 0.00 0.00 35.03 32.67 1cej n LYS 73 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1cej s ILE 74 N -1.97 0.97 0.01 -0.18 -1.09 -1.26 -4.69 121.20 112.99 1cej s ILE 74 Ca 0.73 -0.47 0.02 0.00 -2.23 0.00 0.00 60.65 58.70 1cej s ILE 74 Cb -0.31 -0.84 -0.01 0.00 -1.58 0.00 0.00 42.46 39.71 1cej s ILE 74 CO 0.50 0.29 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.55 1cej s THR 75 N 0.07 0.50 0.30 2.92 2.01 -0.83 -5.03 115.64 115.59 1cej s THR 75 Ca -0.02 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.51 1cej s THR 75 Cb -0.09 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1cej s THR 75 CO 0.01 -0.01 0.47 0.00 -0.69 0.00 0.00 174.62 174.40 1cej s GLU 77 N -4.18 0.25 -0.07 0.00 2.12 -0.71 -4.95 118.70 111.15 1cej s GLU 77 Ca 0.37 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.12 1cej s GLU 77 Cb -0.09 -0.96 -0.02 0.00 0.26 0.00 0.00 34.13 33.32 1cej s GLU 77 CO 0.33 -0.99 1.09 0.00 -0.54 0.00 0.00 175.26 175.16 1cej n THR 79 N 4.51 0.00 -1.17 0.00 -2.24 -1.26 -4.92 114.28 109.19 1cej n THR 79 Ca 0.09 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 1cej n THR 79 Cb 0.48 0.48 0.17 0.00 -2.10 0.00 0.00 70.33 69.36 1cej n THR 79 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1cej s LYS 80 N -2.58 0.47 -0.20 -0.78 -0.14 -1.26 -5.00 119.74 110.24 1cej s LYS 80 Ca 0.21 0.53 -0.21 0.00 -1.36 0.00 0.00 55.97 55.15 1cej s LYS 80 Cb 0.19 -1.74 -0.20 0.00 -1.68 0.00 0.00 37.83 34.40 1cej s LYS 80 CO 0.56 -2.71 0.24 -1.00 -0.76 0.00 0.00 175.35 171.69 1cej h PRO 81 N -1.87 0.02 -0.94 -1.68 0.14 -1.99 -3.34 132.00 122.34 1cej h PRO 81 Ca -0.54 -0.04 -0.02 0.00 0.14 0.00 0.00 66.00 65.54 1cej h PRO 81 Cb 1.33 0.01 -0.01 0.00 0.14 0.00 0.00 31.00 32.47 1cej h PRO 81 CO 0.57 1.02 0.02 -0.25 0.14 0.00 0.00 178.00 179.51 1cej n ASP 82 N -4.36 2.13 -4.67 1.44 8.00 -1.26 -4.86 116.55 112.98 1cej n ASP 82 Ca -0.31 -2.20 -0.42 0.00 0.71 0.00 0.00 54.79 52.56 1cej n ASP 82 Cb 0.71 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1cej n ASP 82 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1cej s SER 83 N -0.01 6.76 -0.40 -2.24 0.01 -1.25 -3.70 113.70 112.85 1cej s SER 83 Ca 0.10 2.11 0.06 0.00 1.31 0.00 0.00 55.95 59.53 1cej s SER 83 Cb 0.08 -2.54 0.21 0.00 0.21 0.00 0.00 66.02 63.98 1cej s SER 83 CO 0.03 -0.85 0.44 -1.22 0.41 0.00 0.00 173.24 172.05 1cej n TYR 84 N 6.64 -0.79 -0.81 2.43 4.02 0.28 -4.87 117.16 124.06 1cej n TYR 84 Ca 0.16 -3.35 -0.34 0.00 -0.01 0.00 0.00 57.90 54.36 1cej n TYR 84 Cb 0.43 0.03 -0.06 0.00 -0.02 0.00 0.00 39.34 39.73 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 2.15 0.00 0.04 -0.72 -0.01 -1.24 -3.72 135.00 131.49 1cej n PRO 85 Ca 0.25 0.00 -0.18 0.00 -0.01 0.00 0.00 63.50 63.56 1cej n PRO 85 Cb 0.51 -0.80 -0.08 0.00 -0.01 0.00 0.00 33.50 33.12 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 3.64 0.81 0.00 2.45 3.38 -0.95 -3.45 115.31 121.19 1cej h LEU 86 Ca -0.15 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1cej h LEU 86 Cb 0.74 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1cej h LEU 86 CO 0.55 1.43 0.00 0.49 0.09 0.00 0.00 178.44 180.99 1cej n PHE 87 N -3.84 0.00 -1.50 1.13 3.01 -1.26 -4.96 117.46 110.04 1cej n PHE 87 Ca -0.09 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.44 1cej n PHE 87 Cb 0.85 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 40.49 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 1.82 0.00 4.37 2.03 -1.26 -4.91 116.55 118.60 1cej n ASP 88 Ca 0.00 -3.54 0.00 0.00 0.52 0.00 0.00 54.79 51.77 1cej n ASP 88 Cb 0.00 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 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 -1.11 2.30 0.32 0.27 0.00 -1.26 -4.60 105.19 101.11 1cej n GLY 89 Ca 0.17 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.40 1cej n GLY 89 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1cej h ILE 90 N 0.00 0.10 -2.68 -0.61 3.07 -1.91 -3.03 117.51 112.46 1cej h ILE 90 Ca 0.00 -0.09 -0.57 0.00 1.55 0.00 0.00 64.86 65.75 1cej h ILE 90 Cb 0.00 1.08 -0.39 0.00 -0.27 0.00 0.00 36.82 37.24 1cej h ILE 90 CO 0.00 0.01 -0.82 -0.36 -1.05 0.00 0.00 178.15 175.93 1cej s PHE 91 N -4.16 0.74 -1.49 0.16 0.08 -1.26 -3.10 117.98 108.95 1cej s PHE 91 Ca -0.04 -1.50 -0.10 0.00 0.12 0.00 0.00 56.93 55.41 1cej s PHE 91 Cb 0.13 -1.00 0.01 0.00 -0.57 0.00 0.00 43.02 41.59 1cej s PHE 91 CO 0.45 -0.83 2.57 0.00 -0.10 0.00 0.00 175.22 177.32 1cej n SER 93 N 3.75 0.00 -4.21 0.00 2.88 -1.24 -3.78 113.62 111.00 1cej n SER 93 Ca 0.66 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.90 1cej n SER 93 Cb 0.28 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.58 1cej n SER 93 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1cej s SER 94 N -1.43 2.79 0.43 -3.46 0.01 -1.24 0.10 113.70 110.90 1cej s SER 94 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1cej s SER 94 Cb 0.00 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1cej s SER 94 CO 0.00 0.20 0.00 -1.20 0.41 0.00 0.00 173.24 172.65 1cej n SER 95 N 3.14 -6.02 0.00 2.44 7.64 -1.26 -4.90 113.62 114.67 1cej n SER 95 Ca -0.18 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1cej n SER 95 Cb 0.52 -2.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.37 1cej n SER 95 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62