#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 -9.60 0.00 1.53 2.08 -1.26 -5.03 119.36 107.08 1cej n ILE 2 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1cej n ILE 2 Cb 0.00 -6.63 0.00 0.00 -0.75 0.00 0.00 39.64 32.26 1cej n ILE 2 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1cej n SER 3 N -2.15 0.00 -1.19 4.38 2.88 -1.26 -5.11 113.62 111.17 1cej n SER 3 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1cej n SER 3 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1cej n SER 3 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1cej n GLN 4 N 0.00 -3.15 -3.31 -1.46 7.27 -1.26 -4.74 117.38 110.73 1cej n GLN 4 Ca 0.00 2.43 -0.24 0.00 0.07 0.00 0.00 57.00 59.26 1cej n GLN 4 Cb 0.00 -3.00 0.02 0.00 2.41 0.00 0.00 30.24 29.68 1cej n GLN 4 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1cej n HIS 5 N -2.13 -2.01 0.55 3.69 8.25 -1.26 -4.83 115.22 117.48 1cej n HIS 5 Ca 0.00 0.59 0.07 0.00 -0.26 0.00 0.00 57.72 58.11 1cej n HIS 5 Cb 0.31 -3.89 0.05 0.00 1.12 0.00 0.00 29.99 27.58 1cej n HIS 5 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1cej n GLN 6 N -4.08 0.94 -1.24 -0.41 7.27 -1.26 -3.47 117.38 115.14 1cej n GLN 6 Ca -0.05 -1.24 0.16 0.00 0.07 0.00 0.00 57.00 55.95 1cej n GLN 6 Cb 0.57 -1.25 -0.05 0.00 2.41 0.00 0.00 30.24 31.92 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cej s VAL 8 N -2.84 1.21 -1.44 0.00 -7.23 -1.26 -4.73 120.40 104.11 1cej s VAL 8 Ca 0.00 -0.50 -0.09 0.00 -1.81 0.00 0.00 61.98 59.59 1cej s VAL 8 Cb 0.00 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.84 1cej s VAL 8 CO 0.00 0.38 0.99 0.29 -0.31 0.00 0.00 175.10 176.45 1cej n LYS 9 N 4.04 -6.66 -0.13 4.82 5.02 -1.26 -4.99 118.16 119.01 1cej n LYS 9 Ca -0.21 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1cej n LYS 9 Cb 0.51 -5.77 0.00 0.00 -0.02 0.00 0.00 35.03 29.76 1cej n LYS 9 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1cej n LYS 10 N -4.68 2.28 -0.49 1.97 3.00 -1.26 -5.06 118.16 113.92 1cej n LYS 10 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1cej n LYS 10 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1cej n LYS 10 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1cej n GLN 11 N -0.16 0.00 -1.58 1.64 0.00 -1.26 -5.07 117.38 110.95 1cej n GLN 11 Ca 0.00 -0.83 -0.48 0.00 -0.00 0.00 0.00 57.00 55.69 1cej n GLN 11 Cb 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 30.24 29.77 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cej n PRO 13 N 7.66 -0.31 -0.96 0.00 -0.04 -1.26 -4.96 135.00 135.13 1cej n PRO 13 Ca 0.31 -1.11 -0.30 0.00 -0.04 0.00 0.00 63.50 62.37 1cej n PRO 13 Cb 0.30 -0.54 0.24 0.00 -0.04 0.00 0.00 33.50 33.46 1cej n PRO 13 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1cej s GLN 14 N -4.15 -1.30 -1.59 0.54 -0.21 -1.26 -3.23 119.66 108.45 1cej s GLN 14 Ca 0.35 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.80 1cej s GLN 14 Cb -0.01 -1.58 0.00 0.00 1.00 0.00 0.00 33.01 32.42 1cej s GLN 14 CO 0.24 -3.79 0.00 0.09 -2.12 0.00 0.00 175.29 169.71 1cej n ASN 15 N -4.84 -4.37 -3.62 5.90 5.03 -1.26 -4.87 115.26 107.23 1cej n ASN 15 Ca 0.12 0.31 -0.04 0.00 0.87 0.00 0.00 54.58 55.84 1cej n ASN 15 Cb 0.59 -3.88 -0.06 0.00 -1.02 0.00 0.00 39.78 35.41 1cej n ASN 15 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1cej s SER 16 N -2.26 -0.83 0.10 6.41 1.04 -1.20 0.72 113.70 117.68 1cej s SER 16 Ca 0.00 1.27 -0.02 0.00 0.48 0.00 0.00 55.95 57.68 1cej s SER 16 Cb 0.00 1.54 -0.05 0.00 0.10 0.00 0.00 66.02 67.61 1cej s SER 16 CO 0.00 -0.19 0.29 -0.83 0.98 0.00 0.00 173.24 173.49 1cej s GLY 17 N 1.88 2.21 0.76 7.32 0.00 0.12 -4.54 107.32 115.06 1cej s GLY 17 Ca -0.08 -0.70 -0.10 0.00 0.00 0.00 0.00 44.72 43.83 1cej s GLY 17 CO -0.18 -0.65 1.12 0.00 0.00 0.00 0.00 173.10 173.38 1cej s PHE 19 N -3.44 -0.53 -0.09 0.00 2.19 -0.22 -4.71 117.98 111.18 1cej s PHE 19 Ca 0.61 0.68 0.00 0.00 0.33 0.00 0.00 56.93 58.54 1cej s PHE 19 Cb -0.11 0.40 0.00 0.00 -1.31 0.00 0.00 43.02 42.00 1cej s PHE 19 CO 0.48 -0.66 0.00 -2.13 1.83 0.00 0.00 175.22 174.74 1cej n ARG 20 N 0.46 0.00 -0.73 10.12 0.63 -1.26 -2.38 116.66 123.49 1cej n ARG 20 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 1cej n ARG 20 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 1cej n ARG 20 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1cej n HIS 21 N 0.16 0.00 -0.02 -0.14 8.25 -1.26 -4.61 115.22 117.60 1cej n HIS 21 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1cej n HIS 21 Cb 0.00 -1.73 0.00 0.00 1.12 0.00 0.00 29.99 29.38 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 0.00 1.68 0.00 2.41 4.77 -1.26 -4.68 117.00 119.91 1cej n LEU 22 Ca 0.00 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1cej n LEU 22 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1cej n LEU 22 CO 0.00 0.42 0.00 -0.90 -1.33 0.00 0.00 177.39 175.58 1cej n ASP 23 N -0.35 0.00 0.00 -1.43 5.75 -1.26 -4.94 116.55 114.32 1cej n ASP 23 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1cej n ASP 23 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 0.00 -1.11 -2.66 0.11 2.13 -1.26 -4.69 120.64 113.16 1cej n GLU 24 Ca 0.00 0.28 -0.03 0.00 0.66 0.00 0.00 57.16 58.06 1cej n GLU 24 Cb 0.02 -4.17 0.02 0.00 0.27 0.00 0.00 31.44 27.57 1cej n GLU 24 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1cej n ARG 25 N -0.69 0.14 0.00 5.31 1.85 -1.26 -4.84 116.66 117.17 1cej n ARG 25 Ca 0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 57.85 56.18 1cej n ARG 25 Cb 0.28 -0.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.65 1cej n ARG 25 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1cej n GLU 26 N -0.25 0.00 -3.46 2.89 -0.58 -1.24 -5.00 120.64 113.00 1cej n GLU 26 Ca -0.23 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.51 1cej n GLU 26 Cb 0.67 -0.50 0.00 0.00 -0.57 0.00 0.00 31.44 31.04 1cej n GLU 26 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1cej n GLU 27 N 0.00 -3.08 -3.68 3.49 1.02 -1.00 -4.99 120.64 112.39 1cej n GLU 27 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1cej n GLU 27 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 1cej n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cej s LYS 29 N 1.43 3.38 0.75 0.00 2.20 -0.48 -4.90 119.74 122.12 1cej s LYS 29 Ca 0.01 0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 55.61 1cej s LYS 29 Cb -0.20 -2.37 0.04 0.00 -1.51 0.00 0.00 37.83 33.79 1cej s LYS 29 CO 0.03 -0.31 1.10 0.00 -0.36 0.00 0.00 175.35 175.81 1cej n LEU 31 N -3.21 0.00 -4.79 0.00 4.77 0.22 -4.32 117.00 109.66 1cej n LEU 31 Ca 0.07 -0.10 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 1cej n LEU 31 Cb 0.57 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1cej n LEU 31 CO 0.57 -0.98 0.73 -0.76 -1.33 0.00 0.00 177.39 175.62 1cej s LEU 32 N 0.00 3.61 -1.39 2.23 1.43 -1.26 -2.58 118.68 120.72 1cej s LEU 32 Ca 0.06 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 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 0.04 -1.13 0.00 0.59 0.23 0.00 0.00 176.35 176.09 1cej n ASN 33 N -1.69 -5.33 -4.02 2.29 3.02 -1.26 -4.92 115.26 103.34 1cej n ASN 33 Ca 0.09 0.32 -0.31 0.00 -0.03 0.00 0.00 54.58 54.66 1cej n ASN 33 Cb 0.52 -4.18 -0.16 0.00 -0.61 0.00 0.00 39.78 35.36 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 -2.09 2.65 0.63 3.10 2.02 -1.06 0.90 117.35 123.49 1cej s TYR 34 Ca 0.00 -1.79 0.08 0.00 -0.37 0.00 0.00 57.07 54.99 1cej s TYR 34 Cb 0.00 -1.73 0.11 0.00 -0.40 0.00 0.00 41.96 39.94 1cej s TYR 34 CO 0.00 -0.79 0.86 0.36 -1.57 0.00 0.00 175.55 174.42 1cej n LYS 35 N 4.62 0.46 -3.78 -0.62 2.85 -0.40 -4.44 118.16 116.85 1cej n LYS 35 Ca -0.15 -3.15 -0.37 0.00 -1.05 0.00 0.00 58.31 53.60 1cej n LYS 35 Cb 0.46 -0.33 -0.06 0.00 -0.65 0.00 0.00 35.03 34.45 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 -4.80 3.57 -0.29 -1.58 -0.21 -1.26 -1.38 119.66 113.70 1cej s GLN 36 Ca 0.64 -0.01 -0.15 0.00 0.02 0.00 0.00 55.36 55.86 1cej s GLN 36 Cb -0.05 -3.17 0.13 0.00 1.00 0.00 0.00 33.01 30.92 1cej s GLN 36 CO 0.41 0.73 0.84 -2.00 -2.12 0.00 0.00 175.29 173.16 1cej s GLU 37 N -1.21 0.48 7.25 2.91 -6.30 -1.12 -4.81 118.70 115.90 1cej s GLU 37 Ca 0.20 0.97 0.00 0.00 -2.50 0.00 0.00 54.97 53.63 1cej s GLU 37 Cb -0.13 0.32 0.00 0.00 0.00 0.00 0.00 34.13 34.32 1cej s GLU 37 CO 0.09 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1cej n GLY 38 N 4.45 2.99 0.06 -1.50 0.00 -1.26 -1.88 105.19 108.05 1cej n GLY 38 Ca -0.16 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 9.96 1.75 -3.81 1.61 2.03 -1.26 -5.03 116.55 121.80 1cej n ASP 39 Ca 0.00 -2.22 -0.12 0.00 0.52 0.00 0.00 54.79 52.96 1cej n ASP 39 Cb 0.00 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.16 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 -1.40 0.51 -0.01 -0.67 -2.85 -0.79 -5.13 119.74 109.41 1cej s LYS 40 Ca 0.10 -0.15 -0.30 0.00 -1.00 0.00 0.00 55.97 54.61 1cej s LYS 40 Cb 0.09 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1cej s LYS 40 CO 0.01 -0.12 1.18 0.00 0.10 0.00 0.00 175.35 176.52 1cej n VAL 42 N 4.29 0.00 -2.62 0.00 0.24 -0.48 -4.82 118.33 114.95 1cej n VAL 42 Ca 0.10 -1.80 -0.40 0.00 -2.04 0.00 0.00 64.34 60.20 1cej n VAL 42 Cb 0.47 -0.58 -0.05 0.00 -1.47 0.00 0.00 33.84 32.21 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 -4.53 4.74 -0.51 7.34 2.12 -1.26 -1.27 118.70 125.33 1cej s GLU 43 Ca 0.58 1.64 0.07 0.00 0.36 0.00 0.00 54.97 57.62 1cej s GLU 43 Cb -0.04 -3.22 0.27 0.00 0.26 0.00 0.00 34.13 31.39 1cej s GLU 43 CO 0.37 0.36 0.68 -1.71 -0.54 0.00 0.00 175.26 174.42 1cej n ASN 44 N 1.32 2.13 -0.37 -1.70 4.05 0.26 -4.67 115.26 116.27 1cej n ASN 44 Ca -0.01 -3.13 0.30 0.00 0.45 0.00 0.00 54.58 52.19 1cej n ASN 44 Cb 0.46 -0.64 0.49 0.00 1.23 0.00 0.00 39.78 41.31 1cej n ASN 44 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1cej n PRO 45 N 0.91 -0.02 -3.86 1.20 -0.01 -1.26 -2.37 135.00 129.59 1cej n PRO 45 Ca 0.26 0.82 -0.30 0.00 -0.01 0.00 0.00 63.50 64.27 1cej n PRO 45 Cb 0.48 -1.68 -0.14 0.00 -0.01 0.00 0.00 33.50 32.16 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 -4.24 4.09 0.68 2.55 2.47 -1.26 -4.68 114.94 114.55 1cej s ASN 46 Ca -0.05 -2.93 -0.02 0.00 0.42 0.00 0.00 52.86 50.28 1cej s ASN 46 Cb 0.20 -1.42 0.09 0.00 -1.45 0.00 0.00 41.25 38.66 1cej s ASN 46 CO 0.57 -0.23 0.95 -2.16 -3.72 0.00 0.00 177.10 172.50 1cej s PRO 47 N -0.14 2.01 0.22 0.43 0.05 -1.00 -5.13 135.00 131.44 1cej s PRO 47 Ca 0.18 -0.77 -0.04 0.00 0.05 0.00 0.00 61.00 60.42 1cej s PRO 47 Cb -0.24 -2.31 0.02 0.00 0.05 0.00 0.00 34.50 32.01 1cej s PRO 47 CO -0.01 -1.22 0.36 -2.37 0.05 0.00 0.00 177.00 173.80 1cej n THR 48 N -2.75 0.00 -0.06 1.26 5.66 -1.26 -4.92 114.28 112.20 1cej n THR 48 Ca 0.11 -0.85 -0.06 0.00 -3.05 0.00 0.00 64.05 60.20 1cej n THR 48 Cb 0.60 0.61 -0.10 0.00 -1.55 0.00 0.00 70.33 69.90 1cej n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cej h ASN 50 N 0.00 0.00 0.00 0.00 -0.73 -1.98 -0.89 115.58 111.98 1cej h ASN 50 Ca -0.33 0.00 -0.59 0.00 1.87 0.00 0.00 56.30 57.25 1cej h ASN 50 Cb 1.74 0.00 0.02 0.00 0.27 0.00 0.00 38.32 40.35 1cej h ASN 50 CO 0.02 0.00 2.79 -1.84 -0.37 0.00 0.00 177.43 178.03 1cej n GLU 51 N -2.72 2.27 -4.15 6.67 0.28 -1.26 -4.49 120.64 117.25 1cej n GLU 51 Ca -0.02 -1.96 -0.36 0.00 -0.16 0.00 0.00 57.16 54.66 1cej n GLU 51 Cb 0.19 -2.86 -0.04 0.00 1.43 0.00 0.00 31.44 30.17 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 5.73 -1.46 -2.99 -1.84 6.94 -1.21 -2.05 115.26 118.38 1cej n ASN 52 Ca 0.53 -1.24 -0.05 0.00 -0.02 0.00 0.00 54.58 53.80 1cej n ASN 52 Cb 0.30 -1.91 0.02 0.00 -2.36 0.00 0.00 39.78 35.83 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 -2.62 -6.99 -0.07 0.53 5.15 -0.34 -4.95 115.26 105.96 1cej n ASN 53 Ca -0.23 -0.26 -0.14 0.00 -0.60 0.00 0.00 54.58 53.34 1cej n ASN 53 Cb 0.64 -4.93 -0.12 0.00 -0.53 0.00 0.00 39.78 34.84 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 -0.05 0.00 2.00 8.20 0.00 -1.47 -3.31 103.07 108.45 1cej h GLY 54 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1cej h GLY 54 CO 0.32 0.00 -0.04 -1.33 0.00 0.00 0.00 176.54 175.49 1cej h GLY 55 N -1.00 0.00 -4.61 4.60 0.00 -1.84 -3.44 103.07 96.78 1cej h GLY 55 Ca -0.04 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.62 1cej h GLY 55 CO -0.02 0.00 -0.73 0.00 0.00 0.00 0.00 176.54 175.79 1cej n ASP 57 N 1.36 0.00 0.00 0.00 5.75 -1.23 -4.62 116.55 117.81 1cej n ASP 57 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1cej n ASP 57 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.27 0.23 2.12 0.00 -1.26 -4.82 120.51 114.04 1cej n ALA 58 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1cej n ALA 58 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.30 1.44 -4.50 0.00 9.92 -1.26 -5.02 116.55 116.83 1cej n ASP 59 Ca 0.00 -0.42 -0.29 0.00 -0.53 0.00 0.00 54.79 53.55 1cej n ASP 59 Cb 0.00 1.14 0.19 0.00 -0.64 0.00 0.00 41.12 41.81 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cej s ALA 60 N -2.05 0.82 -0.26 2.24 0.00 -1.26 -4.58 121.76 116.67 1cej s ALA 60 Ca 0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 1cej s ALA 60 Cb 0.06 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1cej s ALA 60 CO 0.33 -3.04 0.16 0.15 0.00 0.00 0.00 175.76 173.35 1cej s LYS 61 N -5.06 3.91 0.08 0.00 -0.14 -0.95 -4.86 119.74 112.72 1cej s LYS 61 Ca 0.67 -0.35 -0.05 0.00 -1.36 0.00 0.00 55.97 54.88 1cej s LYS 61 Cb -0.17 -3.56 -0.05 0.00 -1.68 0.00 0.00 37.83 32.37 1cej s LYS 61 CO 0.57 -0.13 0.31 0.00 -0.76 0.00 0.00 175.35 175.34 1cej s THR 63 N -1.50 0.02 0.00 0.00 -4.23 -0.93 -5.01 115.64 103.99 1cej s THR 63 Ca 0.35 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1cej s THR 63 Cb -0.13 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.79 1cej s THR 63 CO 0.22 -0.10 0.31 -1.84 -0.54 0.00 0.00 174.62 172.67 1cej n GLU 64 N 0.73 -0.46 -2.33 3.99 -0.00 -1.26 -1.41 120.64 119.90 1cej n GLU 64 Ca -0.19 -0.32 -0.41 0.00 -0.00 0.00 0.00 57.16 56.23 1cej n GLU 64 Cb 0.58 -0.78 -0.03 0.00 -0.00 0.00 0.00 31.44 31.21 1cej n GLU 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1cej s GLU 65 N -0.03 4.44 2.14 3.44 0.41 -1.26 -4.76 118.70 123.08 1cej s GLU 65 Ca 0.00 1.92 0.00 0.00 -0.41 0.00 0.00 54.97 56.48 1cej s GLU 65 Cb 0.00 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.10 1cej s GLU 65 CO 0.00 -0.19 0.00 -3.47 -0.49 0.00 0.00 175.26 171.11 1cej n ASP 66 N 2.94 -1.34 -3.31 -0.19 -0.08 -1.26 -4.91 116.55 108.41 1cej n ASP 66 Ca 0.06 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.21 1cej n ASP 66 Cb 0.44 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.94 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 -3.35 -6.69 -3.97 1.67 7.64 -1.26 -4.67 113.62 102.99 1cej n SER 67 Ca 0.00 -0.55 -0.12 0.00 1.01 0.00 0.00 58.87 59.21 1cej n SER 67 Cb 0.00 -4.60 -0.13 0.00 -1.01 0.00 0.00 64.21 58.47 1cej n SER 67 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cej s GLY 68 N -3.22 0.24 0.00 0.23 0.00 -1.26 -3.60 107.32 99.71 1cej s GLY 68 Ca 0.25 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1cej s GLY 68 CO 0.78 -0.43 0.00 -1.26 0.00 0.00 0.00 173.10 172.19 1cej n SER 69 N 2.22 0.00 -0.30 1.64 2.88 -1.26 -4.93 113.62 113.87 1cej n SER 69 Ca -0.18 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1cej n SER 69 Cb 0.57 0.23 0.19 0.00 -0.75 0.00 0.00 64.21 64.45 1cej n SER 69 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1cej h ASN 70 N 0.00 0.99 0.00 -3.46 -1.24 -2.05 -3.46 115.58 106.36 1cej h ASN 70 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1cej h ASN 70 Cb 0.00 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.81 1cej h ASN 70 CO 0.00 0.71 0.00 0.61 -1.29 0.00 0.00 177.43 177.46 1cej n GLY 71 N -1.40 -0.40 3.70 1.57 0.00 -1.26 -5.11 105.19 102.28 1cej n GLY 71 Ca 0.10 0.32 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 1cej n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cej s LYS 72 N 0.00 4.47 -0.44 1.61 -2.85 -1.26 -4.99 119.74 116.27 1cej s LYS 72 Ca 0.00 1.54 -0.12 0.00 -1.00 0.00 0.00 55.97 56.38 1cej s LYS 72 Cb 0.00 -3.47 0.07 0.00 -2.06 0.00 0.00 37.83 32.38 1cej s LYS 72 CO 0.00 -0.21 0.32 0.15 0.10 0.00 0.00 175.35 175.71 1cej s LYS 73 N 1.41 2.79 -0.06 1.78 3.01 -1.26 -4.58 119.74 122.84 1cej s LYS 73 Ca 0.53 -1.39 -0.04 0.00 -1.01 0.00 0.00 55.97 54.07 1cej s LYS 73 Cb -0.23 -3.95 0.03 0.00 -1.01 0.00 0.00 37.83 32.67 1cej s LYS 73 CO 0.25 -0.97 0.15 0.42 0.51 0.00 0.00 175.35 175.71 1cej s ILE 74 N 1.54 -0.03 0.11 2.17 -1.09 -1.24 -4.52 121.20 118.13 1cej s ILE 74 Ca 0.03 0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.59 1cej s ILE 74 Cb -0.23 -0.24 -0.04 0.00 -1.58 0.00 0.00 42.46 40.37 1cej s ILE 74 CO 0.05 0.05 -0.06 -0.89 -1.23 0.00 0.00 174.94 172.85 1cej s THR 75 N 0.79 0.73 -0.06 2.92 2.01 -0.50 -5.02 115.64 116.50 1cej s THR 75 Ca -0.06 -1.95 -0.18 0.00 0.31 0.00 0.00 61.69 59.81 1cej s THR 75 Cb -0.08 -1.72 0.04 0.00 0.01 0.00 0.00 72.50 70.75 1cej s THR 75 CO -0.04 -0.84 0.41 0.00 -0.69 0.00 0.00 174.62 173.47 1cej s GLU 77 N -0.89 0.29 0.14 0.00 2.12 -0.94 -4.95 118.70 114.48 1cej s GLU 77 Ca -0.10 0.05 -0.31 0.00 0.36 0.00 0.00 54.97 54.98 1cej s GLU 77 Cb -0.04 -0.78 -0.08 0.00 0.26 0.00 0.00 34.13 33.50 1cej s GLU 77 CO 0.04 -0.87 1.36 0.00 -0.54 0.00 0.00 175.26 175.25 1cej n THR 79 N 3.46 2.35 -2.93 0.00 5.66 -1.26 -4.93 114.28 116.63 1cej n THR 79 Ca 0.09 -1.21 -0.32 0.00 -3.05 0.00 0.00 64.05 59.57 1cej n THR 79 Cb 0.43 -0.60 -0.05 0.00 -1.55 0.00 0.00 70.33 68.55 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 -2.17 3.99 0.00 1.09 -0.14 -1.26 -5.01 119.74 116.24 1cej s LYS 80 Ca 0.37 0.74 0.00 0.00 -1.36 0.00 0.00 55.97 55.72 1cej s LYS 80 Cb 0.31 -2.34 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 1cej s LYS 80 CO 0.08 0.03 0.00 -2.30 -0.76 0.00 0.00 175.35 172.40 1cej n PRO 81 N -0.76 0.00 0.00 -1.68 -0.01 -1.26 -2.84 135.00 128.45 1cej n PRO 81 Ca 0.04 0.00 0.14 0.00 -0.01 0.00 0.00 63.50 63.67 1cej n PRO 81 Cb 0.54 -0.29 0.52 0.00 -0.01 0.00 0.00 33.50 34.26 1cej n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 1cej n ASP 82 N 0.00 0.26 -1.47 2.55 -0.08 -1.26 -5.03 116.55 111.52 1cej n ASP 82 Ca 0.00 -0.02 0.03 0.00 -1.51 0.00 0.00 54.79 53.29 1cej n ASP 82 Cb 0.00 -0.17 -0.02 0.00 2.34 0.00 0.00 41.12 43.27 1cej n ASP 82 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1cej n SER 83 N -1.34 -7.95 -3.21 1.67 7.64 -1.13 -4.97 113.62 104.33 1cej n SER 83 Ca 0.09 1.72 -0.07 0.00 1.01 0.00 0.00 58.87 61.62 1cej n SER 83 Cb 0.32 -4.79 -0.03 0.00 -1.01 0.00 0.00 64.21 58.70 1cej n SER 83 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1cej s TYR 84 N -5.15 -1.10 -0.05 1.43 2.02 -1.26 -5.01 117.35 108.23 1cej s TYR 84 Ca 0.00 -0.35 -0.19 0.00 -0.37 0.00 0.00 57.07 56.16 1cej s TYR 84 Cb 0.00 0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.53 1cej s TYR 84 CO 0.00 -1.11 0.55 -1.25 -1.57 0.00 0.00 175.55 172.17 1cej s PRO 85 N 1.48 4.30 0.00 -1.71 0.05 -1.26 -3.40 135.00 134.46 1cej s PRO 85 Ca 0.19 0.61 0.29 0.00 0.05 0.00 0.00 61.00 62.14 1cej s PRO 85 Cb -0.07 -3.38 1.28 0.00 0.05 0.00 0.00 34.50 32.38 1cej s PRO 85 CO -0.06 0.28 1.94 1.28 0.05 0.00 0.00 177.00 180.50 1cej n LEU 86 N 3.12 0.00 0.00 -3.56 4.77 -1.26 -4.83 117.00 115.23 1cej n LEU 86 Ca -0.07 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1cej n LEU 86 Cb 0.51 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1cej n LEU 86 CO 0.43 -0.01 0.00 0.49 -1.33 0.00 0.00 177.39 176.98 1cej n PHE 87 N -1.45 0.00 -1.02 -1.77 3.72 -1.26 -4.99 117.46 110.68 1cej n PHE 87 Ca 0.08 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.52 1cej n PHE 87 Cb 0.31 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.17 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 0.00 4.58 0.00 4.37 2.03 -1.26 -4.86 116.55 121.41 1cej n ASP 88 Ca 0.00 -3.11 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1cej n ASP 88 Cb 0.00 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 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 -0.14 0.81 0.00 0.27 0.00 -1.26 -4.91 105.19 99.96 1cej n GLY 89 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.46 -2.06 -0.61 -5.35 -1.26 -3.52 119.36 107.02 1cej n ILE 90 Ca 0.00 -0.54 -0.00 0.00 -0.27 0.00 0.00 62.75 61.94 1cej n ILE 90 Cb 0.00 0.86 -0.00 0.00 -1.74 0.00 0.00 39.64 38.76 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 -0.23 0.00 -1.65 4.28 3.72 -1.26 -3.83 117.46 118.48 1cej n PHE 91 Ca 0.00 -0.11 -0.46 0.00 -0.05 0.00 0.00 57.45 56.84 1cej n PHE 91 Cb 0.28 0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1cej n PHE 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cej s SER 93 N 0.27 0.02 -0.93 0.00 0.15 -1.22 -4.66 113.70 107.34 1cej s SER 93 Ca 0.70 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1cej s SER 93 Cb -0.69 0.49 0.33 0.00 -1.71 0.00 0.00 66.02 64.44 1cej s SER 93 CO 0.49 -1.00 1.65 -0.24 1.20 0.00 0.00 173.24 175.35 1cej n SER 94 N -0.33 6.77 -4.79 5.45 2.88 -1.26 -4.38 113.62 117.96 1cej n SER 94 Ca -0.00 -3.69 -0.35 0.00 -1.33 0.00 0.00 58.87 53.49 1cej n SER 94 Cb 0.64 -1.04 -0.07 0.00 -0.75 0.00 0.00 64.21 62.98 1cej n SER 94 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1cej s SER 95 N -1.79 5.84 0.00 -3.46 0.15 -1.26 -5.13 113.70 108.06 1cej s SER 95 Ca 0.41 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1cej s SER 95 Cb 0.22 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1cej s SER 95 CO -0.14 0.37 0.00 -3.20 1.20 0.00 0.00 173.24 171.47