#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 2.57 -0.18 2.41 2.08 -1.26 -4.09 119.36 120.89 1cej n ILE 2 Ca 0.00 -2.55 0.00 0.00 0.56 0.00 0.00 62.75 60.76 1cej n ILE 2 Cb 0.00 -2.29 0.00 0.00 -0.75 0.00 0.00 39.64 36.60 1cej n ILE 2 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1cej n SER 3 N 10.62 0.07 0.00 4.38 3.41 -1.26 -4.64 113.62 126.20 1cej n SER 3 Ca 0.48 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1cej n SER 3 Cb 0.44 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1cej n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cej n GLN 4 N -0.22 0.00 0.00 4.33 6.02 -1.26 -3.99 117.38 122.26 1cej n GLN 4 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1cej n GLN 4 Cb 0.05 -0.16 0.47 0.00 1.02 0.00 0.00 30.24 31.61 1cej n GLN 4 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1cej n HIS 5 N 0.00 0.00 -1.68 1.08 1.44 -1.26 -4.60 115.22 110.20 1cej n HIS 5 Ca 0.00 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.50 1cej n HIS 5 Cb 0.00 -0.21 -0.06 0.00 0.12 0.00 0.00 29.99 29.85 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 -2.41 1.92 0.42 -1.40 -0.44 -1.26 -4.66 119.66 111.82 1cej s GLN 6 Ca 0.19 0.52 -0.25 0.00 -2.50 0.00 0.00 55.36 53.32 1cej s GLN 6 Cb 0.12 -4.78 -0.10 0.00 -1.64 0.00 0.00 33.01 26.61 1cej s GLN 6 CO 0.25 -3.96 1.14 0.00 0.50 0.00 0.00 175.29 173.22 1cej n VAL 8 N -0.33 0.00 -2.87 0.00 0.31 -1.26 -4.54 118.33 109.64 1cej n VAL 8 Ca 0.08 1.26 -0.14 0.00 -0.01 0.00 0.00 64.34 65.53 1cej n VAL 8 Cb 0.39 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 1cej n VAL 8 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1cej n LYS 9 N -1.30 1.26 -3.45 5.55 4.81 -1.26 -5.10 118.16 118.67 1cej n LYS 9 Ca 0.00 -3.42 -0.34 0.00 -0.87 0.00 0.00 58.31 53.68 1cej n LYS 9 Cb 0.00 -1.51 -0.05 0.00 0.02 0.00 0.00 35.03 33.49 1cej n LYS 9 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1cej s LYS 10 N -2.88 3.83 -0.41 1.64 -0.14 -1.26 -5.03 119.74 115.48 1cej s LYS 10 Ca 0.34 0.29 0.08 0.00 -1.36 0.00 0.00 55.97 55.32 1cej s LYS 10 Cb 0.41 -2.83 0.25 0.00 -1.68 0.00 0.00 37.83 33.98 1cej s LYS 10 CO -0.02 0.43 0.61 0.94 -0.76 0.00 0.00 175.35 176.55 1cej n GLN 11 N 0.41 0.74 -1.08 1.68 -0.06 -1.26 -5.05 117.38 112.76 1cej n GLN 11 Ca -0.03 -2.90 -0.29 0.00 -2.00 0.00 0.00 57.00 51.77 1cej n GLN 11 Cb 0.52 -1.28 0.21 0.00 -4.06 0.00 0.00 30.24 25.63 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cej s PRO 13 N -5.15 2.33 1.16 0.00 0.05 -1.26 -5.02 135.00 127.12 1cej s PRO 13 Ca 0.68 -0.43 -0.18 0.00 0.05 0.00 0.00 61.00 61.12 1cej s PRO 13 Cb -0.15 -2.28 0.19 0.00 0.05 0.00 0.00 34.50 32.31 1cej s PRO 13 CO 0.57 -1.05 0.36 0.00 0.05 0.00 0.00 177.00 176.93 1cej n GLN 14 N -2.71 -2.42 -2.63 4.56 10.64 -1.26 -2.83 117.38 120.74 1cej n GLN 14 Ca 0.08 -0.70 -0.17 0.00 -1.83 0.00 0.00 57.00 54.37 1cej n GLN 14 Cb 0.60 -1.75 -0.00 0.00 -0.86 0.00 0.00 30.24 28.23 1cej n GLN 14 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1cej n ASN 15 N -2.73 -4.77 -3.64 2.61 5.03 -1.26 -4.86 115.26 105.64 1cej n ASN 15 Ca 0.04 -0.01 -0.09 0.00 0.87 0.00 0.00 54.58 55.39 1cej n ASN 15 Cb 0.55 -3.98 -0.07 0.00 -1.02 0.00 0.00 39.78 35.26 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 -2.22 -0.47 0.34 6.41 0.15 -1.13 0.38 113.70 117.17 1cej s SER 16 Ca 0.09 0.90 0.08 0.00 0.70 0.00 0.00 55.95 57.71 1cej s SER 16 Cb -0.05 0.92 -0.07 0.00 -1.71 0.00 0.00 66.02 65.11 1cej s SER 16 CO 0.11 -0.15 -0.05 -0.83 1.20 0.00 0.00 173.24 173.53 1cej s GLY 17 N 0.26 2.17 0.37 9.45 0.00 -0.34 -4.67 107.32 114.57 1cej s GLY 17 Ca 0.03 -2.10 -0.09 0.00 0.00 0.00 0.00 44.72 42.57 1cej s GLY 17 CO -0.06 -1.98 0.70 0.00 0.00 0.00 0.00 173.10 171.76 1cej s PHE 19 N -2.29 -1.66 -0.95 0.00 5.36 -0.83 -4.91 117.98 112.70 1cej s PHE 19 Ca 0.49 1.60 -0.03 0.00 -0.96 0.00 0.00 56.93 58.03 1cej s PHE 19 Cb -0.10 0.52 0.24 0.00 -0.34 0.00 0.00 43.02 43.34 1cej s PHE 19 CO 0.31 -0.92 0.92 -2.13 -1.46 0.00 0.00 175.22 171.94 1cej n ARG 20 N 5.43 2.99 -3.76 10.12 0.63 -1.26 -1.82 116.66 128.98 1cej n ARG 20 Ca 0.00 -4.49 -0.10 0.00 -0.92 0.00 0.00 57.85 52.35 1cej n ARG 20 Cb 0.52 -2.44 -0.04 0.00 0.45 0.00 0.00 32.46 30.94 1cej n ARG 20 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1cej s HIS 21 N -1.53 -0.06 0.00 -0.14 3.76 -1.24 -4.69 115.29 111.39 1cej s HIS 21 Ca 0.29 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 1cej s HIS 21 Cb -0.06 0.35 0.00 0.00 1.11 0.00 0.00 32.58 33.98 1cej s HIS 21 CO -0.09 -0.90 0.00 1.28 -0.85 0.00 0.00 174.74 174.17 1cej n LEU 22 N -0.33 0.00 -0.67 0.89 4.32 -1.26 -4.18 117.00 115.76 1cej n LEU 22 Ca -0.10 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 55.96 1cej n LEU 22 Cb 0.62 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.57 1cej n LEU 22 CO 0.18 0.00 0.60 -0.90 -1.22 0.00 0.00 177.39 176.05 1cej n ASP 23 N 1.16 2.81 -1.57 -1.43 5.68 -1.26 -4.94 116.55 117.00 1cej n ASP 23 Ca 0.00 -1.89 -0.16 0.00 -0.50 0.00 0.00 54.79 52.24 1cej n ASP 23 Cb 0.00 -0.20 -0.06 0.00 -1.14 0.00 0.00 41.12 39.72 1cej n ASP 23 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1cej n GLU 24 N 0.66 -1.42 -3.91 0.11 2.13 -1.26 -4.91 120.64 112.04 1cej n GLU 24 Ca 0.12 0.92 -0.10 0.00 0.66 0.00 0.00 57.16 58.76 1cej n GLU 24 Cb 0.42 -5.26 -0.10 0.00 0.27 0.00 0.00 31.44 26.77 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 -3.55 0.47 0.28 5.31 0.52 -1.26 -4.97 118.95 115.76 1cej s ARG 25 Ca 0.00 -0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 54.38 1cej s ARG 25 Cb 0.00 0.19 -0.09 0.00 0.52 0.00 0.00 34.95 35.57 1cej s ARG 25 CO 0.00 -0.11 0.99 -1.21 0.02 0.00 0.00 175.30 174.99 1cej s GLU 26 N -1.73 4.70 0.10 3.54 2.02 -1.26 -3.72 118.70 122.35 1cej s GLU 26 Ca -0.12 1.54 -0.00 0.00 0.02 0.00 0.00 54.97 56.40 1cej s GLU 26 Cb -0.06 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1cej s GLU 26 CO -0.01 0.34 0.01 -1.21 0.02 0.00 0.00 175.26 174.42 1cej s GLU 27 N -1.52 0.82 -0.55 1.61 2.02 -0.76 -4.93 118.70 115.39 1cej s GLU 27 Ca 0.45 -1.36 -0.06 0.00 0.02 0.00 0.00 54.97 54.02 1cej s GLU 27 Cb -0.26 0.13 0.14 0.00 0.10 0.00 0.00 34.13 34.25 1cej s GLU 27 CO 0.32 -0.17 0.39 0.00 0.02 0.00 0.00 175.26 175.83 1cej s LYS 29 N 0.65 2.42 0.55 0.00 2.20 -0.76 -4.90 119.74 119.90 1cej s LYS 29 Ca 0.12 -0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 55.40 1cej s LYS 29 Cb -0.22 -2.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.87 1cej s LYS 29 CO -0.03 -1.02 0.81 0.00 -0.36 0.00 0.00 175.35 174.75 1cej n LEU 31 N -2.40 0.00 -4.78 0.00 4.77 0.16 -4.39 117.00 110.36 1cej n LEU 31 Ca 0.05 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.69 1cej n LEU 31 Cb 0.58 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1cej n LEU 31 CO 0.49 -0.43 0.74 -0.76 -1.33 0.00 0.00 177.39 176.10 1cej s LEU 32 N 0.00 3.52 -1.63 2.23 1.43 -1.26 -2.55 118.68 120.41 1cej s LEU 32 Ca 0.00 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1cej s LEU 32 Cb 0.00 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.67 1cej s LEU 32 CO 0.00 -1.38 0.00 0.59 0.23 0.00 0.00 176.35 175.79 1cej n ASN 33 N -2.01 -4.74 -3.99 2.29 3.02 -1.26 -4.92 115.26 103.65 1cej n ASN 33 Ca 0.10 0.38 -0.29 0.00 -0.03 0.00 0.00 54.58 54.74 1cej n ASN 33 Cb 0.52 -4.05 -0.17 0.00 -0.61 0.00 0.00 39.78 35.47 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 -2.28 1.97 0.52 3.10 2.02 -1.06 0.81 117.35 122.44 1cej s TYR 34 Ca 0.00 -1.08 0.07 0.00 -0.37 0.00 0.00 57.07 55.69 1cej s TYR 34 Cb 0.00 -1.49 0.07 0.00 -0.40 0.00 0.00 41.96 40.14 1cej s TYR 34 CO 0.00 -0.62 0.59 0.36 -1.57 0.00 0.00 175.55 174.30 1cej n LYS 35 N 4.81 0.68 -4.38 -0.62 2.85 -0.41 -4.46 118.16 116.62 1cej n LYS 35 Ca -0.16 -2.99 -0.34 0.00 -1.05 0.00 0.00 58.31 53.78 1cej n LYS 35 Cb 0.50 0.01 -0.14 0.00 -0.65 0.00 0.00 35.03 34.75 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 -4.27 3.43 -0.03 -1.58 0.74 -1.26 -1.45 119.66 115.23 1cej s GLN 36 Ca 0.45 -0.63 -0.01 0.00 0.05 0.00 0.00 55.36 55.21 1cej s GLN 36 Cb -0.04 -2.82 0.03 0.00 1.10 0.00 0.00 33.01 31.29 1cej s GLN 36 CO 0.28 0.07 0.07 -2.00 -0.55 0.00 0.00 175.29 173.16 1cej s GLU 37 N 0.76 0.01 4.37 1.67 -6.30 -0.94 -4.94 118.70 113.33 1cej s GLU 37 Ca -0.03 0.24 0.00 0.00 -2.50 0.00 0.00 54.97 52.67 1cej s GLU 37 Cb -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 34.13 33.78 1cej s GLU 37 CO 0.02 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1cej n GLY 38 N 4.09 0.88 0.00 -1.50 0.00 -1.26 -1.78 105.19 105.63 1cej n GLY 38 Ca -0.26 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 8.43 0.30 -4.04 1.61 9.92 -1.26 -5.07 116.55 126.44 1cej n ASP 39 Ca 0.00 -1.09 -0.14 0.00 -0.53 0.00 0.00 54.79 53.03 1cej n ASP 39 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1cej n ASP 39 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1cej s LYS 40 N -0.09 0.51 0.31 -1.24 1.02 -0.73 -5.14 119.74 114.38 1cej s LYS 40 Ca 0.00 -0.63 -0.27 0.00 0.02 0.00 0.00 55.97 55.09 1cej s LYS 40 Cb 0.00 -0.34 -0.10 0.00 -0.52 0.00 0.00 37.83 36.88 1cej s LYS 40 CO 0.00 0.07 0.96 0.00 -0.92 0.00 0.00 175.35 175.46 1cej n VAL 42 N 0.78 0.00 -2.56 0.00 0.24 -0.53 -4.90 118.33 111.37 1cej n VAL 42 Ca 0.01 -2.33 -0.40 0.00 -2.04 0.00 0.00 64.34 59.57 1cej n VAL 42 Cb 0.49 0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 33.33 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 -3.75 4.67 -0.50 7.34 2.12 -1.26 -1.29 118.70 126.04 1cej s GLU 43 Ca 0.03 1.70 0.08 0.00 0.36 0.00 0.00 54.97 57.13 1cej s GLU 43 Cb 0.00 -3.24 0.28 0.00 0.26 0.00 0.00 34.13 31.43 1cej s GLU 43 CO 0.02 0.23 0.69 -1.71 -0.54 0.00 0.00 175.26 173.95 1cej n ASN 44 N 1.69 2.11 -0.51 -1.70 5.15 0.24 -4.71 115.26 117.53 1cej n ASN 44 Ca 0.00 -3.14 0.39 0.00 -0.60 0.00 0.00 54.58 51.24 1cej n ASN 44 Cb 0.46 -0.64 0.62 0.00 -0.53 0.00 0.00 39.78 39.69 1cej n ASN 44 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1cej n PRO 45 N 0.81 -0.01 -3.99 1.20 -0.01 -1.26 -2.79 135.00 128.95 1cej n PRO 45 Ca 0.26 0.91 -0.31 0.00 -0.01 0.00 0.00 63.50 64.36 1cej n PRO 45 Cb 0.49 -1.99 -0.15 0.00 -0.01 0.00 0.00 33.50 31.84 1cej n PRO 45 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 175.50 176.70 1cej s ASN 46 N -4.04 4.58 0.90 2.55 3.84 -1.26 -4.98 114.94 116.53 1cej s ASN 46 Ca -0.05 -2.52 -0.11 0.00 0.21 0.00 0.00 52.86 50.40 1cej s ASN 46 Cb 0.23 -1.64 0.19 0.00 -0.55 0.00 0.00 41.25 39.48 1cej s ASN 46 CO 0.70 -0.32 1.23 -2.16 -2.79 0.00 0.00 177.10 173.76 1cej s PRO 47 N 0.40 0.85 0.00 0.43 0.05 -1.12 -5.12 135.00 130.49 1cej s PRO 47 Ca 0.13 -0.73 0.00 0.00 0.05 0.00 0.00 61.00 60.46 1cej s PRO 47 Cb -0.22 -2.00 0.00 0.00 0.05 0.00 0.00 34.50 32.33 1cej s PRO 47 CO -0.05 -2.18 0.00 -2.37 0.05 0.00 0.00 177.00 172.45 1cej n THR 48 N -3.50 0.00 0.00 1.26 5.66 -1.26 -5.00 114.28 111.44 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 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 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 -1.38 0.00 -3.32 0.00 4.05 -1.26 -3.38 115.26 109.97 1cej n ASN 50 Ca 0.00 -0.63 -0.35 0.00 0.45 0.00 0.00 54.58 54.05 1cej n ASN 50 Cb 0.00 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.01 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 -0.81 4.48 -3.70 1.20 -0.58 -1.26 -4.91 120.64 115.06 1cej n GLU 51 Ca 0.07 -4.71 -0.31 0.00 -0.42 0.00 0.00 57.16 51.79 1cej n GLU 51 Cb 0.03 -2.37 0.02 0.00 -0.57 0.00 0.00 31.44 28.55 1cej n GLU 51 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1cej n ASN 52 N -0.16 -5.05 -2.85 1.62 6.94 -1.22 -3.62 115.26 110.93 1cej n ASN 52 Ca 0.41 -0.67 -0.07 0.00 -0.02 0.00 0.00 54.58 54.23 1cej n ASN 52 Cb 0.32 -1.59 0.01 0.00 -2.36 0.00 0.00 39.78 36.15 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 -1.69 -7.88 -0.05 0.53 2.85 -1.22 -4.87 115.26 102.93 1cej n ASN 53 Ca -0.24 0.73 -0.10 0.00 -0.11 0.00 0.00 54.58 54.86 1cej n ASN 53 Cb 0.70 -5.20 0.05 0.00 1.24 0.00 0.00 39.78 36.57 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 2.28 0.78 0.00 8.20 0.00 -1.60 -3.40 103.07 109.33 1cej h GLY 54 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1cej h GLY 54 CO 0.17 0.72 0.00 0.61 0.00 0.00 0.00 176.54 178.04 1cej n GLY 55 N 0.06 1.00 3.37 4.60 0.00 -1.24 -4.69 105.19 108.28 1cej n GLY 55 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 4.19 -0.45 0.18 0.00 2.03 -0.79 -4.17 116.55 117.54 1cej n ASP 57 Ca -0.18 0.73 0.18 0.00 0.52 0.00 0.00 54.79 56.04 1cej n ASP 57 Cb 0.52 -0.59 0.77 0.00 -0.72 0.00 0.00 41.12 41.09 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 1.19 1.83 0.00 -1.67 0.00 -1.90 0.82 119.26 119.53 1cej h ALA 58 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1cej h ALA 58 Cb 0.91 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1cej h ALA 58 CO 0.38 -0.53 -1.41 -0.25 0.00 0.00 0.00 179.25 177.45 1cej n ASP 59 N -3.42 0.49 -4.90 0.00 8.00 -1.26 -4.93 116.55 110.52 1cej n ASP 59 Ca 0.04 -0.33 -0.28 0.00 0.71 0.00 0.00 54.79 54.93 1cej n ASP 59 Cb 0.53 1.32 0.02 0.00 -0.02 0.00 0.00 41.12 42.97 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 -3.28 3.28 0.64 2.24 0.00 0.28 -4.60 121.76 120.34 1cej s ALA 60 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 1cej s ALA 60 Cb 0.14 -2.69 0.01 0.00 0.00 0.00 0.00 23.12 20.58 1cej s ALA 60 CO 0.86 -0.64 0.99 0.15 0.00 0.00 0.00 175.76 177.12 1cej s LYS 61 N -4.95 2.91 -0.03 0.00 1.02 -0.52 -4.64 119.74 113.53 1cej s LYS 61 Ca 0.52 0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.74 1cej s LYS 61 Cb -0.11 -2.16 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1cej s LYS 61 CO 0.47 -0.84 -0.04 0.00 -0.92 0.00 0.00 175.35 174.02 1cej s THR 63 N 0.58 1.79 -0.00 0.00 -4.23 -0.52 -5.00 115.64 108.27 1cej s THR 63 Ca -0.07 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1cej s THR 63 Cb -0.10 -1.50 0.01 0.00 1.34 0.00 0.00 72.50 72.24 1cej s THR 63 CO -0.00 0.51 0.97 -1.84 -0.54 0.00 0.00 174.62 173.71 1cej n GLU 64 N 2.66 0.03 -1.65 3.99 -0.00 -1.26 -1.97 120.64 122.44 1cej n GLU 64 Ca -0.16 -1.00 -0.45 0.00 -0.00 0.00 0.00 57.16 55.55 1cej n GLU 64 Cb 0.52 -0.52 -0.02 0.00 -0.00 0.00 0.00 31.44 31.42 1cej n GLU 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1cej n GLU 65 N -0.03 1.82 -0.70 3.44 -0.58 -1.26 -4.70 120.64 118.62 1cej n GLU 65 Ca 0.00 0.64 -0.32 0.00 -0.42 0.00 0.00 57.16 57.07 1cej n GLU 65 Cb 0.68 -2.20 0.16 0.00 -0.57 0.00 0.00 31.44 29.52 1cej n GLU 65 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1cej n ASP 66 N 1.56 -1.72 0.00 1.62 8.00 -1.26 -4.60 116.55 120.14 1cej n ASP 66 Ca 0.10 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1cej n ASP 66 Cb 0.32 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 1cej n ASP 66 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1cej n SER 67 N -2.37 0.00 0.00 -2.24 2.88 -1.26 -5.00 113.62 105.62 1cej n SER 67 Ca 0.05 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1cej n SER 67 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 1.84 0.00 0.46 0.00 -1.26 -5.10 105.19 101.13 1cej n GLY 68 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1cej n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cej n SER 69 N 0.00 0.00 -1.68 1.61 3.41 -1.26 -4.95 113.62 110.76 1cej n SER 69 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1cej n SER 69 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1cej n SER 69 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1cej n ASN 70 N -0.02 5.11 -3.14 4.04 5.03 -1.26 -4.58 115.26 120.45 1cej n ASN 70 Ca 0.00 -2.80 0.04 0.00 0.87 0.00 0.00 54.58 52.68 1cej n ASN 70 Cb 0.00 -0.90 -0.00 0.00 -1.02 0.00 0.00 39.78 37.85 1cej n ASN 70 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1cej s GLY 71 N 0.40 -1.21 0.48 7.41 0.00 -1.26 -5.15 107.32 107.99 1cej s GLY 71 Ca 0.23 1.17 -0.21 0.00 0.00 0.00 0.00 44.72 45.91 1cej s GLY 71 CO 0.01 3.81 1.05 0.54 0.00 0.00 0.00 173.10 178.52 1cej s LYS 72 N 2.65 3.80 -0.14 2.90 1.02 -1.26 -4.49 119.74 124.22 1cej s LYS 72 Ca 0.15 1.41 -0.02 0.00 0.02 0.00 0.00 55.97 57.53 1cej s LYS 72 Cb -0.07 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1cej s LYS 72 CO -0.22 -0.44 -0.08 0.21 -0.92 0.00 0.00 175.35 173.91 1cej s LYS 73 N -3.14 3.53 -0.31 1.68 2.20 -1.26 -4.99 119.74 117.45 1cej s LYS 73 Ca 0.67 -0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 55.64 1cej s LYS 73 Cb -0.18 -2.79 0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1cej s LYS 73 CO 0.22 0.24 0.05 0.42 -0.36 0.00 0.00 175.35 175.92 1cej s ILE 74 N 0.32 3.46 -0.08 5.43 -1.09 -1.26 -4.28 121.20 123.70 1cej s ILE 74 Ca -0.07 -1.14 0.01 0.00 -2.23 0.00 0.00 60.65 57.22 1cej s ILE 74 Cb -0.15 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 1cej s ILE 74 CO 0.04 -0.08 -0.08 -0.89 -1.23 0.00 0.00 174.94 172.70 1cej s THR 75 N 1.36 3.55 0.18 2.92 2.01 -0.83 -4.97 115.64 119.86 1cej s THR 75 Ca -0.02 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1cej s THR 75 Cb -0.19 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1cej s THR 75 CO 0.01 0.58 0.18 0.00 -0.69 0.00 0.00 174.62 174.70 1cej s GLU 77 N -3.27 0.50 -0.58 0.00 2.12 -1.01 -4.95 118.70 111.51 1cej s GLU 77 Ca 0.32 0.42 -0.26 0.00 0.36 0.00 0.00 54.97 55.81 1cej s GLU 77 Cb -0.10 0.03 -0.09 0.00 0.26 0.00 0.00 34.13 34.24 1cej s GLU 77 CO 0.25 -1.00 2.41 0.00 -0.54 0.00 0.00 175.26 176.38 1cej n THR 79 N 8.22 1.80 -4.20 0.00 5.66 -1.26 -4.77 114.28 119.73 1cej n THR 79 Ca 0.39 -0.79 -0.12 0.00 -3.05 0.00 0.00 64.05 60.49 1cej n THR 79 Cb 0.52 -1.67 -0.10 0.00 -1.55 0.00 0.00 70.33 67.52 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 1.31 1.12 -0.16 1.09 -0.14 -1.26 -5.03 119.74 116.68 1cej s LYS 80 Ca 0.30 -1.57 -0.15 0.00 -1.36 0.00 0.00 55.97 53.19 1cej s LYS 80 Cb 0.14 0.14 -0.23 0.00 -1.68 0.00 0.00 37.83 36.20 1cej s LYS 80 CO 0.00 -0.31 0.33 -1.00 -0.76 0.00 0.00 175.35 173.61 1cej h PRO 81 N 2.68 0.14 -0.97 -1.68 0.13 -1.94 -3.34 132.00 127.02 1cej h PRO 81 Ca -0.36 -0.23 -0.04 0.00 -0.87 0.00 0.00 66.00 64.49 1cej h PRO 81 Cb 1.23 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1cej h PRO 81 CO 0.57 1.11 0.05 -0.25 -0.23 0.00 0.00 178.00 179.26 1cej n ASP 82 N -4.01 2.49 -4.50 1.44 8.00 -1.26 -4.76 116.55 113.95 1cej n ASP 82 Ca -0.31 -2.19 -0.42 0.00 0.71 0.00 0.00 54.79 52.59 1cej n ASP 82 Cb 0.85 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.34 6.10 -0.68 -2.24 0.01 -1.22 -2.36 113.70 113.66 1cej s SER 83 Ca 0.08 -0.59 0.05 0.00 1.31 0.00 0.00 55.95 56.80 1cej s SER 83 Cb 0.06 -2.16 0.19 0.00 0.21 0.00 0.00 66.02 64.33 1cej s SER 83 CO 0.02 -0.35 0.56 -1.22 0.41 0.00 0.00 173.24 172.66 1cej n TYR 84 N 5.19 3.20 -0.79 2.43 4.01 -1.26 -4.69 117.16 125.25 1cej n TYR 84 Ca -0.11 -4.23 -0.38 0.00 -0.16 0.00 0.00 57.90 53.02 1cej n TYR 84 Cb 0.49 -0.58 -0.08 0.00 -0.31 0.00 0.00 39.34 38.86 1cej n TYR 84 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1cej n PRO 85 N 1.67 0.00 0.08 -0.72 -0.01 -1.26 -4.31 135.00 130.45 1cej n PRO 85 Ca 0.23 0.00 -0.05 0.00 -0.01 0.00 0.00 63.50 63.67 1cej n PRO 85 Cb 0.37 -0.94 0.12 0.00 -0.01 0.00 0.00 33.50 33.04 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 5.65 0.31 0.00 2.45 3.38 -1.84 -3.44 115.31 121.81 1cej h LEU 86 Ca -0.06 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1cej h LEU 86 Cb 0.89 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1cej h LEU 86 CO 0.69 0.82 0.00 0.49 0.09 0.00 0.00 178.44 180.53 1cej n PHE 87 N -3.90 0.00 -0.80 1.13 3.72 -1.26 -4.96 117.46 111.39 1cej n PHE 87 Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.45 1cej n PHE 87 Cb 0.60 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.38 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 3.66 0.00 4.37 8.00 -1.26 -4.88 116.55 126.44 1cej n ASP 88 Ca 0.00 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.73 1cej n ASP 88 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 -0.26 0.96 0.22 0.44 0.00 -1.26 -4.73 105.19 100.57 1cej n GLY 89 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 0.82 -2.68 -0.61 3.07 -1.90 -2.11 117.51 114.10 1cej h ILE 90 Ca 0.00 -1.07 -0.54 0.00 1.55 0.00 0.00 64.86 64.80 1cej h ILE 90 Cb 0.00 1.65 -0.39 0.00 -0.27 0.00 0.00 36.82 37.81 1cej h ILE 90 CO 0.00 0.26 -0.80 -0.36 -1.05 0.00 0.00 178.15 176.20 1cej s PHE 91 N -3.95 0.42 -0.16 0.16 0.08 -1.26 -2.45 117.98 110.82 1cej s PHE 91 Ca -0.01 -1.11 -0.07 0.00 0.12 0.00 0.00 56.93 55.85 1cej s PHE 91 Cb 0.12 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 1cej s PHE 91 CO 0.65 -0.84 0.08 0.00 -0.10 0.00 0.00 175.22 175.02 1cej n SER 93 N 2.98 -2.44 -3.48 0.00 7.64 -1.23 -4.66 113.62 112.43 1cej n SER 93 Ca -0.18 -0.22 -0.10 0.00 1.01 0.00 0.00 58.87 59.39 1cej n SER 93 Cb 0.53 -0.99 -0.02 0.00 -1.01 0.00 0.00 64.21 62.72 1cej n SER 93 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1cej s SER 94 N -2.02 0.14 0.00 6.43 0.15 -0.99 -3.39 113.70 114.02 1cej s SER 94 Ca 0.57 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1cej s SER 94 Cb -0.14 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1cej s SER 94 CO 0.63 -1.38 0.01 -1.20 1.20 0.00 0.00 173.24 172.50 1cej n SER 95 N -0.94 0.00 -0.49 5.45 7.64 -1.26 -4.98 113.62 119.04 1cej n SER 95 Ca -0.03 0.50 0.06 0.00 1.01 0.00 0.00 58.87 60.41 1cej n SER 95 Cb 0.61 -0.49 0.05 0.00 -1.01 0.00 0.00 64.21 63.36 1cej n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83