#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 4.13 -0.10 -1.44 -1.09 -1.26 -4.91 121.20 116.53 1cej s ILE 2 Ca 0.00 -0.29 -0.12 0.00 -2.23 0.00 0.00 60.65 58.01 1cej s ILE 2 Cb 0.00 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 1cej s ILE 2 CO 0.00 0.54 -0.23 -1.20 -1.23 0.00 0.00 174.94 172.82 1cej n SER 3 N 2.88 1.49 -2.29 3.58 7.64 -1.26 -5.08 113.62 120.56 1cej n SER 3 Ca -0.18 0.24 -0.06 0.00 1.01 0.00 0.00 58.87 59.89 1cej n SER 3 Cb 0.53 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 63.10 1cej n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cej n GLN 4 N -3.98 1.44 -2.80 1.43 1.13 -1.26 -4.98 117.38 108.36 1cej n GLN 4 Ca -0.09 -0.68 -0.01 0.00 -1.94 0.00 0.00 57.00 54.27 1cej n GLN 4 Cb 0.35 0.25 -0.01 0.00 0.11 0.00 0.00 30.24 30.94 1cej n GLN 4 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1cej n HIS 5 N -0.22 -3.25 -2.57 1.08 -0.00 -1.26 -4.20 115.22 104.80 1cej n HIS 5 Ca -0.03 1.55 0.03 0.00 -0.00 0.00 0.00 57.72 59.27 1cej n HIS 5 Cb 0.12 -3.36 0.03 0.00 -0.00 0.00 0.00 29.99 26.77 1cej n HIS 5 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1cej n GLN 6 N 1.07 0.45 -1.72 1.57 6.02 -1.26 -4.89 117.38 118.62 1cej n GLN 6 Ca -0.08 -2.35 -0.42 0.00 -0.01 0.00 0.00 57.00 54.14 1cej n GLN 6 Cb 0.20 -0.39 -0.01 0.00 1.02 0.00 0.00 30.24 31.07 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cej s VAL 8 N -0.94 0.62 -1.02 0.00 -7.23 -1.26 -4.87 120.40 105.70 1cej s VAL 8 Ca 0.57 -0.89 -0.11 0.00 -1.81 0.00 0.00 61.98 59.74 1cej s VAL 8 Cb -0.55 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 1cej s VAL 8 CO 0.61 -0.21 0.82 0.29 -0.31 0.00 0.00 175.10 176.29 1cej n LYS 9 N 1.84 -1.63 0.08 4.82 4.76 -1.26 -4.94 118.16 121.83 1cej n LYS 9 Ca -0.20 0.80 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1cej n LYS 9 Cb 0.55 -4.91 0.00 0.00 -1.84 0.00 0.00 35.03 28.83 1cej n LYS 9 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1cej n LYS 10 N -3.34 0.00 -3.39 1.97 4.76 -1.26 -5.06 118.16 111.83 1cej n LYS 10 Ca -0.08 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.17 1cej n LYS 10 Cb 0.59 -0.28 0.05 0.00 -1.84 0.00 0.00 35.03 33.55 1cej n LYS 10 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1cej n GLN 11 N -3.38 -1.71 -1.00 1.97 1.13 -1.26 -4.95 117.38 108.18 1cej n GLN 11 Ca 0.00 0.82 -0.29 0.00 -1.94 0.00 0.00 57.00 55.59 1cej n GLN 11 Cb 0.05 -5.07 0.22 0.00 0.11 0.00 0.00 30.24 25.55 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cej s PRO 13 N -5.05 3.46 1.17 0.00 0.05 -1.26 -5.05 135.00 128.32 1cej s PRO 13 Ca 0.68 -0.04 -0.17 0.00 0.05 0.00 0.00 61.00 61.51 1cej s PRO 13 Cb -0.16 -2.48 0.20 0.00 0.05 0.00 0.00 34.50 32.11 1cej s PRO 13 CO 0.58 -0.12 0.41 1.04 0.05 0.00 0.00 177.00 178.97 1cej n GLN 14 N -2.10 -2.39 -3.20 4.56 1.13 -1.26 -2.92 117.38 111.19 1cej n GLN 14 Ca -0.01 -0.69 -0.23 0.00 -1.94 0.00 0.00 57.00 54.13 1cej n GLN 14 Cb 0.56 -1.82 0.02 0.00 0.11 0.00 0.00 30.24 29.11 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 -3.03 -5.02 -3.35 1.08 5.03 -1.26 -4.84 115.26 103.87 1cej n ASN 15 Ca 0.03 -0.35 0.02 0.00 0.87 0.00 0.00 54.58 55.16 1cej n ASN 15 Cb 0.56 -4.09 -0.03 0.00 -1.02 0.00 0.00 39.78 35.21 1cej n ASN 15 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1cej s SER 16 N -2.74 -0.70 0.27 6.41 0.15 -1.15 0.11 113.70 116.06 1cej s SER 16 Ca 0.36 0.78 -0.03 0.00 0.70 0.00 0.00 55.95 57.76 1cej s SER 16 Cb -0.18 1.72 -0.05 0.00 -1.71 0.00 0.00 66.02 65.81 1cej s SER 16 CO 0.44 -0.13 0.50 -0.83 1.20 0.00 0.00 173.24 174.43 1cej s GLY 17 N 2.64 1.75 0.46 9.45 0.00 -0.15 -4.61 107.32 116.86 1cej s GLY 17 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 1cej s GLY 17 CO -0.17 -0.62 0.86 0.00 0.00 0.00 0.00 173.10 173.17 1cej s PHE 19 N -2.54 -0.98 -0.30 0.00 5.36 -0.89 -4.90 117.98 113.74 1cej s PHE 19 Ca 0.54 2.04 -0.27 0.00 -0.96 0.00 0.00 56.93 58.27 1cej s PHE 19 Cb -0.10 0.55 0.01 0.00 -0.34 0.00 0.00 43.02 43.14 1cej s PHE 19 CO 0.34 -0.48 0.96 0.50 -1.46 0.00 0.00 175.22 175.07 1cej s ARG 20 N 1.36 4.07 0.20 10.12 3.52 -1.26 -2.46 118.95 134.50 1cej s ARG 20 Ca -0.08 0.95 -0.32 0.00 -0.13 0.00 0.00 55.73 56.14 1cej s ARG 20 Cb -0.05 -3.71 -0.14 0.00 -1.56 0.00 0.00 34.95 29.49 1cej s ARG 20 CO -0.15 -0.76 1.43 0.72 -0.81 0.00 0.00 175.30 175.73 1cej n HIS 21 N 6.50 2.08 0.18 5.12 8.25 0.29 -4.78 115.22 132.85 1cej n HIS 21 Ca 0.09 0.42 0.12 0.00 -0.26 0.00 0.00 57.72 58.09 1cej n HIS 21 Cb 0.47 -2.46 0.62 0.00 1.12 0.00 0.00 29.99 29.74 1cej n HIS 21 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1cej h LEU 22 N 4.62 0.00 -2.89 2.41 -0.00 -1.94 -0.57 115.31 116.94 1cej h LEU 22 Ca -0.45 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.21 1cej h LEU 22 Cb 1.28 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.81 1cej h LEU 22 CO 0.79 0.00 0.29 -0.90 -0.00 0.00 0.00 178.44 178.61 1cej n ASP 23 N -2.30 3.58 -2.77 -0.43 5.75 -1.26 -4.80 116.55 114.32 1cej n ASP 23 Ca -0.02 -2.70 -0.19 0.00 -0.01 0.00 0.00 54.79 51.87 1cej n ASP 23 Cb 0.07 -0.68 0.05 0.00 -1.03 0.00 0.00 41.12 39.53 1cej n ASP 23 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1cej n GLU 24 N -0.14 -5.30 -4.56 0.11 2.13 -0.26 -5.00 120.64 107.61 1cej n GLU 24 Ca 0.25 0.71 -0.27 0.00 0.66 0.00 0.00 57.16 58.51 1cej n GLU 24 Cb 0.96 -5.26 -0.08 0.00 0.27 0.00 0.00 31.44 27.33 1cej n GLU 24 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1cej s ARG 25 N -5.79 1.98 -0.02 5.31 0.52 -0.94 -4.95 118.95 115.06 1cej s ARG 25 Ca 0.37 -2.22 0.02 0.00 -0.52 0.00 0.00 55.73 53.37 1cej s ARG 25 Cb -0.16 -0.81 0.00 0.00 0.52 0.00 0.00 34.95 34.50 1cej s ARG 25 CO 0.45 -0.45 -0.05 -1.21 0.02 0.00 0.00 175.30 174.07 1cej s GLU 26 N -3.74 0.54 0.15 3.54 2.02 -1.26 0.10 118.70 120.06 1cej s GLU 26 Ca 0.20 -0.16 -0.23 0.00 0.02 0.00 0.00 54.97 54.80 1cej s GLU 26 Cb 0.02 -0.55 0.07 0.00 0.10 0.00 0.00 34.13 33.78 1cej s GLU 26 CO 0.12 0.06 0.64 -1.21 0.02 0.00 0.00 175.26 174.89 1cej s GLU 27 N 0.19 1.28 -0.23 1.61 2.02 -1.03 -4.85 118.70 117.70 1cej s GLU 27 Ca -0.02 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 1cej s GLU 27 Cb -0.06 0.57 -0.00 0.00 0.10 0.00 0.00 34.13 34.73 1cej s GLU 27 CO -0.00 -0.56 -0.04 0.00 0.02 0.00 0.00 175.26 174.68 1cej s LYS 29 N 1.47 3.54 0.95 0.00 2.20 -0.83 -4.94 119.74 122.13 1cej s LYS 29 Ca 0.05 -0.06 -0.10 0.00 -0.36 0.00 0.00 55.97 55.50 1cej s LYS 29 Cb -0.15 -3.15 0.16 0.00 -1.51 0.00 0.00 37.83 33.18 1cej s LYS 29 CO -0.03 0.72 1.09 0.00 -0.36 0.00 0.00 175.35 176.77 1cej n LEU 31 N -4.17 0.00 -4.79 0.00 4.77 0.29 -4.45 117.00 108.65 1cej n LEU 31 Ca 0.11 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 1cej n LEU 31 Cb 0.52 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1cej n LEU 31 CO 0.50 -0.93 0.72 -0.76 -1.33 0.00 0.00 177.39 175.59 1cej s LEU 32 N 0.00 3.41 -1.53 2.23 1.43 -1.26 -2.72 118.68 120.23 1cej s LEU 32 Ca 0.00 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1cej s LEU 32 Cb 0.00 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1cej s LEU 32 CO 0.00 -1.36 0.00 0.59 0.23 0.00 0.00 176.35 175.81 1cej n ASN 33 N -2.32 -4.75 -4.00 2.29 4.13 -1.26 -4.92 115.26 104.44 1cej n ASN 33 Ca 0.09 0.36 -0.30 0.00 1.68 0.00 0.00 54.58 56.41 1cej n ASN 33 Cb 0.53 -3.98 -0.16 0.00 -1.54 0.00 0.00 39.78 34.62 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 -2.20 2.23 0.18 3.10 2.02 -1.10 0.11 117.35 121.69 1cej s TYR 34 Ca 0.00 -1.36 0.03 0.00 -0.37 0.00 0.00 57.07 55.37 1cej s TYR 34 Cb 0.00 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1cej s TYR 34 CO 0.00 -0.69 0.23 0.36 -1.57 0.00 0.00 175.55 173.87 1cej n LYS 35 N 4.75 0.95 -4.26 -0.62 2.85 -0.31 -4.50 118.16 117.01 1cej n LYS 35 Ca -0.15 -1.01 -0.32 0.00 -1.05 0.00 0.00 58.31 55.78 1cej n LYS 35 Cb 0.48 -0.03 -0.09 0.00 -0.65 0.00 0.00 35.03 34.74 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 -2.81 2.64 -0.47 -1.58 -0.21 -1.26 -1.45 119.66 114.52 1cej s GLN 36 Ca 0.17 -0.72 0.06 0.00 0.02 0.00 0.00 55.36 54.89 1cej s GLN 36 Cb -0.01 -2.58 0.25 0.00 1.00 0.00 0.00 33.01 31.66 1cej s GLN 36 CO 0.11 0.59 0.84 -1.91 -2.12 0.00 0.00 175.29 172.80 1cej n GLU 37 N 1.12 0.78 0.00 2.91 2.13 -1.18 -4.83 120.64 121.58 1cej n GLU 37 Ca -0.13 -2.00 0.00 0.00 0.66 0.00 0.00 57.16 55.69 1cej n GLU 37 Cb 0.52 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.83 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 1.53 1.05 0.00 8.31 0.00 -1.26 -4.21 105.19 110.61 1cej n GLY 38 Ca 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1cej n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cej n ASP 39 N 0.00 0.80 -3.96 1.61 2.03 -1.26 -5.03 116.55 110.75 1cej n ASP 39 Ca 0.00 -1.14 -0.19 0.00 0.52 0.00 0.00 54.79 53.98 1cej n ASP 39 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 1cej n ASP 39 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1cej s LYS 40 N -0.14 0.82 0.27 -0.67 -2.85 -1.26 -5.11 119.74 110.80 1cej s LYS 40 Ca 0.00 -0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 54.46 1cej s LYS 40 Cb 0.00 -0.79 -0.09 0.00 -2.06 0.00 0.00 37.83 34.89 1cej s LYS 40 CO 0.00 0.05 1.13 0.00 0.10 0.00 0.00 175.35 176.63 1cej n VAL 42 N 1.37 0.00 -2.41 0.00 0.24 -0.53 -4.88 118.33 112.12 1cej n VAL 42 Ca -0.00 -2.29 -0.41 0.00 -2.04 0.00 0.00 64.34 59.59 1cej n VAL 42 Cb 0.44 0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 32.98 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 -4.09 4.52 -0.37 7.34 2.12 -1.26 -1.17 118.70 125.79 1cej s GLU 43 Ca 0.18 1.84 -0.12 0.00 0.36 0.00 0.00 54.97 57.22 1cej s GLU 43 Cb -0.01 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 31.14 1cej s GLU 43 CO 0.11 -0.05 0.23 1.21 -0.54 0.00 0.00 175.26 176.23 1cej s ASN 44 N 0.05 5.87 0.11 -1.70 3.84 0.29 -4.64 114.94 118.76 1cej s ASN 44 Ca 0.52 -0.84 0.24 0.00 0.21 0.00 0.00 52.86 52.99 1cej s ASN 44 Cb -0.32 -2.08 0.41 0.00 -0.55 0.00 0.00 41.25 38.71 1cej s ASN 44 CO 0.36 -0.36 1.37 -0.81 -2.79 0.00 0.00 177.10 174.87 1cej n PRO 45 N 5.06 0.25 -3.24 0.43 -0.05 -1.26 -4.53 135.00 131.66 1cej n PRO 45 Ca -0.12 0.08 -0.20 0.00 -0.05 0.00 0.00 63.50 63.22 1cej n PRO 45 Cb 0.47 -1.67 -0.07 0.00 -0.05 0.00 0.00 33.50 32.18 1cej n PRO 45 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 175.50 176.66 1cej s ASN 46 N -4.09 0.78 0.44 3.54 2.47 -1.26 -5.07 114.94 111.74 1cej s ASN 46 Ca 0.07 -2.43 -0.04 0.00 0.42 0.00 0.00 52.86 50.88 1cej s ASN 46 Cb 0.14 0.30 -0.04 0.00 -1.45 0.00 0.00 41.25 40.20 1cej s ASN 46 CO 0.71 -0.17 0.72 -2.16 -3.72 0.00 0.00 177.10 172.48 1cej s PRO 47 N 0.57 3.55 0.10 0.43 0.05 -1.26 -5.11 135.00 133.33 1cej s PRO 47 Ca 0.28 0.09 -0.01 0.00 0.05 0.00 0.00 61.00 61.42 1cej s PRO 47 Cb -0.02 -2.45 0.00 0.00 0.05 0.00 0.00 34.50 32.08 1cej s PRO 47 CO -0.12 -0.09 0.15 -2.37 0.05 0.00 0.00 177.00 174.62 1cej n THR 48 N -2.01 0.00 -0.04 1.26 5.66 -1.26 -4.73 114.28 113.16 1cej n THR 48 Ca -0.01 -0.51 -0.04 0.00 -3.05 0.00 0.00 64.05 60.45 1cej n THR 48 Cb 0.55 0.32 -0.06 0.00 -1.55 0.00 0.00 70.33 69.59 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 -2.34 0.53 -3.19 0.00 2.85 -1.26 -1.81 115.26 110.04 1cej n ASN 50 Ca -0.13 0.74 -0.31 0.00 -0.11 0.00 0.00 54.58 54.76 1cej n ASN 50 Cb 0.74 -0.79 -0.03 0.00 1.24 0.00 0.00 39.78 40.93 1cej n ASN 50 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1cej n GLU 51 N -2.23 3.02 -4.06 1.20 0.28 -1.26 -4.60 120.64 112.99 1cej n GLU 51 Ca -0.01 -1.86 -0.41 0.00 -0.16 0.00 0.00 57.16 54.72 1cej n GLU 51 Cb 0.07 -2.63 0.00 0.00 1.43 0.00 0.00 31.44 30.32 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 3.74 -3.25 -2.60 -1.84 6.94 -1.19 -2.86 115.26 114.20 1cej n ASN 52 Ca 0.64 -1.24 -0.01 0.00 -0.02 0.00 0.00 54.58 53.95 1cej n ASN 52 Cb 0.23 -1.97 0.00 0.00 -2.36 0.00 0.00 39.78 35.68 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 -2.39 -5.99 0.01 0.53 5.15 -0.75 -4.93 115.26 106.89 1cej n ASN 53 Ca -0.15 -0.08 -0.22 0.00 -0.60 0.00 0.00 54.58 53.53 1cej n ASN 53 Cb 0.60 -4.00 -0.14 0.00 -0.53 0.00 0.00 39.78 35.71 1cej n ASN 53 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1cej h GLY 54 N 0.24 0.29 2.00 8.20 0.00 -1.60 -3.33 103.07 108.86 1cej h GLY 54 Ca -0.03 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 1cej h GLY 54 CO 0.22 0.64 -0.05 -1.33 0.00 0.00 0.00 176.54 176.01 1cej h GLY 55 N 0.26 0.00 -2.60 4.60 0.00 -1.86 -3.46 103.07 100.01 1cej h GLY 55 Ca -0.33 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.45 1cej h GLY 55 CO 0.06 0.00 -0.62 0.00 0.00 0.00 0.00 176.54 175.98 1cej n ASP 57 N -0.96 0.00 0.00 0.00 5.75 -1.23 -4.75 116.55 115.36 1cej n ASP 57 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 1cej n ASP 57 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 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 -4.82 120.51 113.55 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 -3.47 0.00 0.00 0.00 177.50 174.03 1cej n ASP 59 N 0.00 1.85 -3.99 0.00 -0.08 -1.26 -5.01 116.55 108.06 1cej n ASP 59 Ca 0.00 -0.16 -0.30 0.00 -1.51 0.00 0.00 54.79 52.82 1cej n ASP 59 Cb 0.00 0.69 0.22 0.00 2.34 0.00 0.00 41.12 44.37 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cej s ALA 60 N -1.06 0.93 -0.24 -1.67 0.00 -1.26 -4.76 121.76 113.69 1cej s ALA 60 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 1cej s ALA 60 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1cej s ALA 60 CO 0.00 -3.29 0.11 0.15 0.00 0.00 0.00 175.76 172.73 1cej s LYS 61 N -5.43 3.86 0.27 0.00 -0.14 -1.02 -4.85 119.74 112.43 1cej s LYS 61 Ca 0.70 -0.38 -0.03 0.00 -1.36 0.00 0.00 55.97 54.90 1cej s LYS 61 Cb -0.10 -3.41 -0.05 0.00 -1.68 0.00 0.00 37.83 32.59 1cej s LYS 61 CO 0.56 -0.05 0.50 0.00 -0.76 0.00 0.00 175.35 175.60 1cej s THR 63 N -2.04 0.03 0.00 0.00 -4.23 -0.50 -4.99 115.64 103.91 1cej s THR 63 Ca 0.42 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1cej s THR 63 Cb -0.11 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1cej s THR 63 CO 0.30 -0.12 0.16 -1.84 -0.54 0.00 0.00 174.62 172.58 1cej n GLU 64 N 0.66 0.00 -1.31 3.99 0.28 -1.26 -1.41 120.64 121.59 1cej n GLU 64 Ca -0.19 -0.16 -0.30 0.00 -0.16 0.00 0.00 57.16 56.35 1cej n GLU 64 Cb 0.59 -0.42 0.22 0.00 1.43 0.00 0.00 31.44 33.25 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 0.00 -0.59 0.45 3.44 2.02 -1.26 -4.62 118.70 118.13 1cej s GLU 65 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1cej s GLU 65 Cb 0.00 -1.67 0.00 0.00 0.10 0.00 0.00 34.13 32.56 1cej s GLU 65 CO 0.00 -3.29 0.00 -0.40 0.02 0.00 0.00 175.26 171.59 1cej n ASP 66 N -4.45 -7.15 -1.34 -0.19 5.68 -1.26 -4.98 116.55 102.87 1cej n ASP 66 Ca 0.13 1.17 0.16 0.00 -0.50 0.00 0.00 54.79 55.76 1cej n ASP 66 Cb 0.59 -3.83 -0.08 0.00 -1.14 0.00 0.00 41.12 36.66 1cej n ASP 66 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1cej n SER 67 N -1.36 -7.51 -0.83 -1.12 2.88 -1.26 -4.92 113.62 99.51 1cej n SER 67 Ca 0.00 1.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1cej n SER 67 Cb 0.12 -4.53 0.00 0.00 -0.75 0.00 0.00 64.21 59.05 1cej n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cej n GLY 68 N -4.18 -3.53 0.09 0.46 0.00 -1.26 -4.78 105.19 91.99 1cej n GLY 68 Ca -0.07 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 1cej n GLY 68 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1cej h SER 69 N 0.21 0.19 0.00 1.61 0.87 -1.96 -3.43 113.55 111.03 1cej h SER 69 Ca 0.00 -0.98 -0.06 0.00 -1.23 0.00 0.00 61.79 59.52 1cej h SER 69 Cb 0.43 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1cej h SER 69 CO 0.00 1.16 -0.98 -3.20 -0.53 0.00 0.00 176.83 173.29 1cej n ASN 70 N -4.41 1.68 0.00 6.23 5.15 -1.26 -5.10 115.26 117.55 1cej n ASN 70 Ca -0.12 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 1cej n ASN 70 Cb 0.62 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1cej n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cej n GLY 71 N 1.95 3.14 1.33 8.20 0.00 -1.26 -5.03 105.19 113.51 1cej n GLY 71 Ca -0.15 -0.34 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 -2.70 -1.72 1.61 4.01 -1.26 -4.31 118.16 113.78 1cej n LYS 72 Ca 0.00 1.86 0.00 0.00 -0.51 0.00 0.00 58.31 59.66 1cej n LYS 72 Cb 0.00 -3.29 0.00 0.00 -0.51 0.00 0.00 35.03 31.23 1cej n LYS 72 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1cej n LYS 73 N -3.95 -4.46 -3.79 1.97 3.00 -1.26 -4.75 118.16 104.91 1cej n LYS 73 Ca -0.00 3.25 -0.29 0.00 -0.00 0.00 0.00 58.31 61.27 1cej n LYS 73 Cb 0.66 -3.41 -0.16 0.00 0.00 0.00 0.00 35.03 32.11 1cej n LYS 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1cej s ILE 74 N -0.61 0.90 0.10 3.15 -1.09 -1.26 -4.28 121.20 118.11 1cej s ILE 74 Ca 0.00 -0.96 0.04 0.00 -2.23 0.00 0.00 60.65 57.50 1cej s ILE 74 Cb 0.00 -1.41 -0.04 0.00 -1.58 0.00 0.00 42.46 39.43 1cej s ILE 74 CO 0.00 -0.29 0.08 -0.89 -1.23 0.00 0.00 174.94 172.61 1cej s THR 75 N 1.66 4.48 0.07 2.92 2.01 -0.50 -4.96 115.64 121.33 1cej s THR 75 Ca 0.00 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.18 1cej s THR 75 Cb -0.18 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1cej s THR 75 CO -0.11 0.08 -0.08 0.00 -0.69 0.00 0.00 174.62 173.82 1cej s GLU 77 N -2.54 0.39 -0.09 0.00 2.12 -0.90 -4.99 118.70 112.70 1cej s GLU 77 Ca -0.00 0.39 -0.30 0.00 0.36 0.00 0.00 54.97 55.42 1cej s GLU 77 Cb -0.04 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.98 1cej s GLU 77 CO -0.02 -0.81 1.25 0.00 -0.54 0.00 0.00 175.26 175.14 1cej n THR 79 N 4.90 1.15 -2.39 0.00 5.66 -1.26 -4.88 114.28 117.45 1cej n THR 79 Ca 0.12 -0.45 -0.25 0.00 -3.05 0.00 0.00 64.05 60.43 1cej n THR 79 Cb 0.45 -0.63 0.05 0.00 -1.55 0.00 0.00 70.33 68.65 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 -1.22 2.49 -0.07 1.09 -0.14 -1.26 -5.05 119.74 115.57 1cej s LYS 80 Ca 0.15 -0.34 -0.26 0.00 -1.36 0.00 0.00 55.97 54.16 1cej s LYS 80 Cb 0.12 -2.29 -0.03 0.00 -1.68 0.00 0.00 37.83 33.95 1cej s LYS 80 CO 0.04 -0.94 0.84 -1.25 -0.76 0.00 0.00 175.35 173.28 1cej s PRO 81 N -5.03 4.45 0.00 -1.68 0.05 -1.26 -4.18 135.00 127.34 1cej s PRO 81 Ca 0.57 1.12 0.00 0.00 0.05 0.00 0.00 61.00 62.74 1cej s PRO 81 Cb -0.11 -3.49 0.00 0.00 0.05 0.00 0.00 34.50 30.96 1cej s PRO 81 CO 0.43 -0.09 0.00 -3.47 0.05 0.00 0.00 177.00 173.92 1cej n ASP 82 N 4.22 0.00 -1.42 6.66 -0.08 -1.26 -4.85 116.55 119.82 1cej n ASP 82 Ca 0.03 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.35 1cej n ASP 82 Cb 0.50 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.95 1cej n ASP 82 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1cej n SER 83 N 2.12 -7.66 -3.24 1.67 2.88 -1.26 -4.99 113.62 103.14 1cej n SER 83 Ca 0.00 1.65 -0.04 0.00 -1.33 0.00 0.00 58.87 59.15 1cej n SER 83 Cb 0.00 -4.59 -0.03 0.00 -0.75 0.00 0.00 64.21 58.83 1cej n SER 83 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1cej s TYR 84 N -5.08 -1.36 -0.33 0.66 2.02 -1.24 -4.91 117.35 107.11 1cej s TYR 84 Ca 0.00 0.63 -0.23 0.00 -0.37 0.00 0.00 57.07 57.09 1cej s TYR 84 Cb 0.00 0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 1cej s TYR 84 CO 0.00 -1.03 0.78 -1.25 -1.57 0.00 0.00 175.55 172.48 1cej s PRO 85 N 2.65 3.88 0.00 -1.71 0.05 -1.26 -0.17 135.00 138.44 1cej s PRO 85 Ca 0.10 0.48 0.28 0.00 0.05 0.00 0.00 61.00 61.90 1cej s PRO 85 Cb -0.11 -3.76 1.25 0.00 0.05 0.00 0.00 34.50 31.92 1cej s PRO 85 CO -0.28 -0.74 1.90 1.28 0.05 0.00 0.00 177.00 179.21 1cej n LEU 86 N 6.29 0.00 0.00 -3.56 4.77 -1.26 -4.79 117.00 118.45 1cej n LEU 86 Ca 0.03 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1cej n LEU 86 Cb 0.48 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1cej n LEU 86 CO 0.52 -0.03 0.00 0.49 -1.33 0.00 0.00 177.39 177.04 1cej n PHE 87 N -1.43 0.00 -1.23 -1.77 3.72 -1.26 -4.99 117.46 110.50 1cej n PHE 87 Ca 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.47 1cej n PHE 87 Cb 0.29 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.06 1cej n PHE 87 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1cej n ASP 88 N 0.00 3.34 0.00 4.37 8.00 -1.26 -4.86 116.55 126.14 1cej n ASP 88 Ca 0.00 -3.43 0.00 0.00 0.71 0.00 0.00 54.79 52.07 1cej n ASP 88 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1cej n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cej n GLY 89 N -0.81 1.04 0.94 0.44 0.00 -1.26 -4.87 105.19 100.67 1cej n GLY 89 Ca 0.32 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.88 0.58 -2.72 -0.61 -5.35 -1.26 -3.50 119.36 104.62 1cej n ILE 90 Ca 0.00 -0.65 -0.03 0.00 -0.27 0.00 0.00 62.75 61.80 1cej n ILE 90 Cb 0.00 0.48 0.10 0.00 -1.74 0.00 0.00 39.64 38.47 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 1.01 -1.01 -1.62 4.28 3.72 -1.26 -3.49 117.46 119.09 1cej n PHE 91 Ca 0.18 -1.98 -0.50 0.00 -0.05 0.00 0.00 57.45 55.10 1cej n PHE 91 Cb 0.46 0.94 -0.06 0.00 -0.94 0.00 0.00 39.48 39.88 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 7.81 0.00 0.00 0.00 7.64 0.76 -4.82 113.62 125.01 1cej n SER 93 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1cej n SER 93 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.00 0.58 0.00 6.43 2.88 -1.26 -3.69 113.62 118.56 1cej n SER 94 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cej n SER 94 Cb 0.00 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1cej n SER 94 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1cej n SER 95 N -1.37 -1.24 0.00 -3.46 7.64 -1.26 -4.84 113.62 109.10 1cej n SER 95 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cej n SER 95 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1cej n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83