#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 0.00 -3.40 2.41 2.08 -1.26 -4.83 119.36 114.35 1cej n ILE 2 Ca 0.00 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.12 1cej n ILE 2 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 39.64 38.97 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 9.87 -3.97 -0.08 4.38 2.88 -1.26 -4.90 113.62 120.53 1cej n SER 3 Ca 0.00 -0.53 0.03 0.00 -1.33 0.00 0.00 58.87 57.04 1cej n SER 3 Cb 0.00 -4.69 -0.01 0.00 -0.75 0.00 0.00 64.21 58.75 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 -4.24 3.44 -0.00 -1.46 -0.06 -1.26 -4.68 117.38 109.12 1cej n GLN 4 Ca -0.13 -0.28 0.00 0.00 -2.00 0.00 0.00 57.00 54.58 1cej n GLN 4 Cb 0.61 -0.88 0.00 0.00 -4.06 0.00 0.00 30.24 25.90 1cej n GLN 4 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1cej n HIS 5 N -0.65 0.00 1.51 3.69 8.25 -1.26 -4.80 115.22 121.96 1cej n HIS 5 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1cej n HIS 5 Cb 0.11 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1cej n HIS 5 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1cej n GLN 6 N 0.00 0.98 0.00 -0.41 6.02 -1.26 -3.62 117.38 119.09 1cej n GLN 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1cej n GLN 6 Cb 0.50 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.54 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 0.00 2.44 -3.00 0.00 0.31 -1.26 -4.93 118.33 111.89 1cej n VAL 8 Ca 0.00 -4.01 -0.12 0.00 -0.01 0.00 0.00 64.34 60.20 1cej n VAL 8 Cb 0.00 -0.93 0.06 0.00 -0.91 0.00 0.00 33.84 32.07 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 -0.78 -4.37 0.00 5.55 4.81 -1.24 -5.03 118.16 117.10 1cej n LYS 9 Ca 0.39 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 1cej n LYS 9 Cb 0.92 -4.90 0.00 0.00 0.02 0.00 0.00 35.03 31.07 1cej n LYS 9 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1cej n LYS 10 N -3.19 0.00 -3.86 1.64 2.85 -1.26 -5.05 118.16 109.29 1cej n LYS 10 Ca -0.19 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.85 1cej n LYS 10 Cb 0.62 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.83 1cej n LYS 10 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1cej s GLN 11 N 0.14 0.60 -0.16 -1.58 -0.21 -1.26 -5.13 119.66 112.06 1cej s GLN 11 Ca 0.00 0.07 -0.12 0.00 0.02 0.00 0.00 55.36 55.33 1cej s GLN 11 Cb 0.00 -0.89 0.05 0.00 1.00 0.00 0.00 33.01 33.17 1cej s GLN 11 CO 0.00 -0.25 0.41 0.00 -2.12 0.00 0.00 175.29 173.34 1cej n PRO 13 N 3.50 0.25 -1.62 0.00 -0.04 -1.26 -5.05 135.00 130.78 1cej n PRO 13 Ca -0.18 -0.39 -0.30 0.00 -0.04 0.00 0.00 63.50 62.60 1cej n PRO 13 Cb 0.56 -0.14 0.18 0.00 -0.04 0.00 0.00 33.50 34.06 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 -3.04 0.36 -1.70 0.54 -0.21 -1.26 -3.54 119.66 110.81 1cej s GLN 14 Ca 0.11 -0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.36 1cej s GLN 14 Cb -0.00 -1.79 0.00 0.00 1.00 0.00 0.00 33.01 32.22 1cej s GLN 14 CO 0.07 -2.65 0.00 0.09 -2.12 0.00 0.00 175.29 170.68 1cej n ASN 15 N -3.99 -4.38 -3.73 5.90 3.02 -1.26 -4.88 115.26 105.93 1cej n ASN 15 Ca 0.12 0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 54.91 1cej n ASN 15 Cb 0.60 -3.94 -0.09 0.00 -0.61 0.00 0.00 39.78 35.74 1cej n ASN 15 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1cej s SER 16 N -2.35 -0.30 0.40 6.41 1.04 -1.23 0.99 113.70 118.66 1cej s SER 16 Ca 0.00 0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.86 1cej s SER 16 Cb 0.00 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1cej s SER 16 CO 0.00 -0.37 0.18 -0.83 0.98 0.00 0.00 173.24 173.21 1cej s GLY 17 N -0.84 2.27 0.13 7.32 0.00 -0.37 -4.71 107.32 111.11 1cej s GLY 17 Ca -0.09 -2.06 -0.12 0.00 0.00 0.00 0.00 44.72 42.45 1cej s GLY 17 CO 0.04 -1.88 0.48 0.00 0.00 0.00 0.00 173.10 171.73 1cej s PHE 19 N -1.48 -1.06 -1.45 0.00 5.36 -0.56 -4.70 117.98 114.08 1cej s PHE 19 Ca 0.37 1.76 0.03 0.00 -0.96 0.00 0.00 56.93 58.13 1cej s PHE 19 Cb -0.14 0.48 0.13 0.00 -0.34 0.00 0.00 43.02 43.15 1cej s PHE 19 CO 0.19 -0.60 0.92 2.89 -1.46 0.00 0.00 175.22 177.15 1cej n ARG 20 N 5.41 1.49 -1.40 10.12 1.85 -1.25 -1.61 116.66 131.28 1cej n ARG 20 Ca -0.09 -0.52 0.02 0.00 -1.00 0.00 0.00 57.85 56.27 1cej n ARG 20 Cb 0.49 -1.36 -0.01 0.00 -1.05 0.00 0.00 32.46 30.53 1cej n ARG 20 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1cej n HIS 21 N -0.01 -3.82 1.98 2.89 8.25 -1.12 0.11 115.22 123.50 1cej n HIS 21 Ca 0.05 2.08 0.11 0.00 -0.26 0.00 0.00 57.72 59.69 1cej n HIS 21 Cb 0.26 -3.29 0.64 0.00 1.12 0.00 0.00 29.99 28.72 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 -2.75 0.06 -0.84 2.41 4.32 -1.26 -2.95 117.00 115.99 1cej n LEU 22 Ca -0.01 -0.02 0.04 0.00 -0.02 0.00 0.00 56.01 55.99 1cej n LEU 22 Cb 0.47 -0.00 0.21 0.00 -1.62 0.00 0.00 43.42 42.47 1cej n LEU 22 CO 0.01 0.01 0.65 -0.90 -1.22 0.00 0.00 177.39 175.94 1cej n ASP 23 N -0.80 2.90 -3.09 -1.43 5.75 -1.26 -4.97 116.55 113.66 1cej n ASP 23 Ca 0.16 -3.40 -0.14 0.00 -0.01 0.00 0.00 54.79 51.41 1cej n ASP 23 Cb 0.08 -0.56 0.07 0.00 -1.03 0.00 0.00 41.12 39.68 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 -0.96 -2.70 -3.72 0.11 4.71 -1.15 -5.02 120.64 111.91 1cej n GLU 24 Ca 0.25 0.78 -0.25 0.00 -0.01 0.00 0.00 57.16 57.92 1cej n GLU 24 Cb 0.89 -5.41 -0.17 0.00 -1.01 0.00 0.00 31.44 25.75 1cej n GLU 24 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1cej s ARG 25 N -4.41 0.50 0.04 3.49 3.52 0.30 -5.01 118.95 117.39 1cej s ARG 25 Ca 0.34 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.49 1cej s ARG 25 Cb -0.04 -1.61 -0.08 0.00 -1.56 0.00 0.00 34.95 31.66 1cej s ARG 25 CO 0.66 -0.52 1.70 -1.21 -0.81 0.00 0.00 175.30 175.13 1cej s GLU 26 N 1.96 4.18 0.12 5.12 2.02 -1.26 -2.80 118.70 128.04 1cej s GLU 26 Ca 0.02 2.35 -0.18 0.00 0.02 0.00 0.00 54.97 57.18 1cej s GLU 26 Cb -0.15 -3.75 0.04 0.00 0.10 0.00 0.00 34.13 30.37 1cej s GLU 26 CO -0.07 -0.79 0.44 -1.21 0.02 0.00 0.00 175.26 173.65 1cej s GLU 27 N 3.18 1.09 -0.30 1.61 2.02 -0.64 -4.99 118.70 120.68 1cej s GLU 27 Ca 0.76 -0.61 0.03 0.00 0.02 0.00 0.00 54.97 55.17 1cej s GLU 27 Cb -0.39 0.49 0.08 0.00 0.10 0.00 0.00 34.13 34.40 1cej s GLU 27 CO 0.33 -0.43 -0.03 0.00 0.02 0.00 0.00 175.26 175.15 1cej s LYS 29 N 1.05 0.90 0.48 0.00 2.20 -0.34 -4.88 119.74 119.14 1cej s LYS 29 Ca -0.01 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 1cej s LYS 29 Cb -0.20 -1.95 0.01 0.00 -1.51 0.00 0.00 37.83 34.19 1cej s LYS 29 CO -0.06 -2.19 0.68 0.00 -0.36 0.00 0.00 175.35 173.42 1cej n LEU 31 N -2.11 0.00 -4.77 0.00 4.77 0.28 -4.05 117.00 111.12 1cej n LEU 31 Ca 0.05 -0.41 -0.33 0.00 -0.03 0.00 0.00 56.01 55.29 1cej n LEU 31 Cb 0.59 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1cej n LEU 31 CO 0.45 -0.69 0.74 -0.76 -1.33 0.00 0.00 177.39 175.79 1cej s LEU 32 N 0.00 3.35 -0.67 2.23 1.43 -1.26 -2.27 118.68 121.49 1cej s LEU 32 Ca 0.17 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1cej s LEU 32 Cb -0.01 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.67 1cej s LEU 32 CO 0.12 -1.70 0.00 0.59 0.23 0.00 0.00 176.35 175.60 1cej n ASN 33 N -2.55 -5.63 -3.91 2.29 3.02 -1.26 -4.92 115.26 102.29 1cej n ASN 33 Ca 0.10 0.16 -0.28 0.00 -0.03 0.00 0.00 54.58 54.53 1cej n ASN 33 Cb 0.52 -3.68 -0.16 0.00 -0.61 0.00 0.00 39.78 35.84 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 -1.61 1.78 0.00 3.10 2.02 -0.96 -0.74 117.35 120.93 1cej s TYR 34 Ca 0.00 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.60 1cej s TYR 34 Cb 0.00 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 1cej s TYR 34 CO 0.00 -0.62 0.00 0.36 -1.57 0.00 0.00 175.55 173.72 1cej n LYS 35 N 4.86 0.96 -4.09 -0.62 2.85 -0.39 -4.38 118.16 117.34 1cej n LYS 35 Ca -0.13 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.84 1cej n LYS 35 Cb 0.48 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.79 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 -2.03 2.73 -0.30 -1.58 -0.21 -1.26 -1.72 119.66 115.30 1cej s GLN 36 Ca 0.00 -0.79 -0.09 0.00 0.02 0.00 0.00 55.36 54.51 1cej s GLN 36 Cb 0.00 -2.63 0.17 0.00 1.00 0.00 0.00 33.01 31.55 1cej s GLN 36 CO 0.00 0.54 0.83 -2.00 -2.12 0.00 0.00 175.29 172.54 1cej s GLU 37 N -2.47 0.39 3.00 2.91 -6.30 -1.12 -4.73 118.70 110.37 1cej s GLU 37 Ca 0.28 0.79 0.00 0.00 -2.50 0.00 0.00 54.97 53.54 1cej s GLU 37 Cb -0.12 0.45 0.00 0.00 0.00 0.00 0.00 34.13 34.47 1cej s GLU 37 CO 0.21 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1cej n GLY 38 N 5.36 0.87 0.00 -1.50 0.00 -1.26 -1.74 105.19 106.91 1cej n GLY 38 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 5.82 0.00 -4.04 1.61 9.92 -1.26 -5.07 116.55 123.52 1cej n ASP 39 Ca 0.00 -1.00 -0.20 0.00 -0.53 0.00 0.00 54.79 53.06 1cej n ASP 39 Cb 0.00 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 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 0.00 0.87 0.23 -1.24 1.02 -0.71 -5.12 119.74 114.79 1cej s LYS 40 Ca 0.00 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.32 1cej s LYS 40 Cb 0.00 -0.84 -0.09 0.00 -0.52 0.00 0.00 37.83 36.38 1cej s LYS 40 CO 0.00 0.21 1.29 0.00 -0.92 0.00 0.00 175.35 175.93 1cej s VAL 42 N -0.23 1.61 -0.22 0.00 -7.23 -0.70 -4.87 120.40 108.77 1cej s VAL 42 Ca 0.54 -1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 58.98 1cej s VAL 42 Cb -0.36 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1cej s VAL 42 CO 0.41 0.00 0.98 -1.61 -0.31 0.00 0.00 175.10 174.57 1cej s GLU 43 N -4.33 4.26 0.02 4.82 2.02 -1.26 -1.26 118.70 122.96 1cej s GLU 43 Ca 0.35 1.25 -0.30 0.00 0.02 0.00 0.00 54.97 56.29 1cej s GLU 43 Cb -0.03 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 1cej s GLU 43 CO 0.22 -0.56 1.14 1.21 0.02 0.00 0.00 175.26 177.28 1cej s ASN 44 N 1.22 7.15 0.12 -0.19 3.84 0.08 -4.80 114.94 122.36 1cej s ASN 44 Ca 0.42 1.87 0.23 0.00 0.21 0.00 0.00 52.86 55.59 1cej s ASN 44 Cb -0.15 -2.57 0.17 0.00 -0.55 0.00 0.00 41.25 38.14 1cej s ASN 44 CO 0.08 -0.44 1.16 -0.81 -2.79 0.00 0.00 177.10 174.29 1cej n PRO 45 N 4.21 0.38 -2.78 0.43 -0.05 -1.26 -4.51 135.00 131.42 1cej n PRO 45 Ca 0.09 0.07 -0.10 0.00 -0.05 0.00 0.00 63.50 63.51 1cej n PRO 45 Cb 0.48 -1.69 0.08 0.00 -0.05 0.00 0.00 33.50 32.31 1cej n PRO 45 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 1cej n ASN 46 N -2.22 -1.83 -4.23 3.54 2.85 -1.26 -5.00 115.26 107.11 1cej n ASN 46 Ca 0.02 -3.41 -0.58 0.00 -0.11 0.00 0.00 54.58 50.50 1cej n ASN 46 Cb 0.47 1.45 -0.08 0.00 1.24 0.00 0.00 39.78 42.85 1cej n ASN 46 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1cej n PRO 47 N 0.19 0.00 -1.48 1.20 -0.01 -1.26 -4.96 135.00 128.68 1cej n PRO 47 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.56 1cej n PRO 47 Cb 0.72 -1.38 0.00 0.00 -0.01 0.00 0.00 33.50 32.83 1cej n PRO 47 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 175.50 173.12 1cej n THR 48 N 2.32 0.00 -0.04 3.45 5.66 -1.26 -4.90 114.28 119.51 1cej n THR 48 Ca 0.23 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.20 1cej n THR 48 Cb 0.02 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.72 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 -2.24 0.00 -3.01 0.00 5.15 -1.26 -3.14 115.26 110.76 1cej n ASN 50 Ca -0.13 -0.52 -0.39 0.00 -0.60 0.00 0.00 54.58 52.95 1cej n ASN 50 Cb 0.68 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.96 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 -0.96 3.23 -3.69 1.20 0.28 -1.26 -4.87 120.64 114.57 1cej n GLU 51 Ca 0.11 -3.59 -0.26 0.00 -0.16 0.00 0.00 57.16 53.26 1cej n GLU 51 Cb 0.05 -2.30 0.01 0.00 1.43 0.00 0.00 31.44 30.63 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 -0.25 -5.18 -2.78 -1.84 0.23 -1.19 -3.70 115.26 100.55 1cej n ASN 52 Ca 0.52 -0.74 -0.04 0.00 -0.53 0.00 0.00 54.58 53.80 1cej n ASN 52 Cb 0.27 -1.91 0.00 0.00 -2.08 0.00 0.00 39.78 36.06 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 -2.06 -8.02 -2.22 0.53 5.15 -1.20 -4.83 115.26 102.61 1cej n ASN 53 Ca -0.25 1.01 -0.24 0.00 -0.60 0.00 0.00 54.58 54.50 1cej n ASN 53 Cb 0.68 -5.38 0.01 0.00 -0.53 0.00 0.00 39.78 34.56 1cej n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cej n GLY 54 N 0.23 4.56 0.00 8.20 0.00 -0.97 -4.36 105.19 112.85 1cej n GLY 54 Ca 0.06 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1cej n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cej n GLY 55 N 0.25 1.59 3.26 -0.02 0.00 -1.26 -4.48 105.19 104.53 1cej n GLY 55 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 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 4.76 -0.80 0.05 0.00 2.03 -0.80 -4.20 116.55 117.59 1cej n ASP 57 Ca -0.14 0.54 0.20 0.00 0.52 0.00 0.00 54.79 55.91 1cej n ASP 57 Cb 0.46 -0.47 0.72 0.00 -0.72 0.00 0.00 41.12 41.10 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 0.44 2.34 0.00 -1.67 0.00 -1.90 0.91 119.26 119.37 1cej h ALA 58 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1cej h ALA 58 Cb 0.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1cej h ALA 58 CO 0.28 -0.59 -0.92 -3.47 0.00 0.00 0.00 179.25 174.54 1cej n ASP 59 N -4.20 0.66 -4.90 0.00 2.03 -1.26 -4.90 116.55 103.98 1cej n ASP 59 Ca 0.08 -0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.11 1cej n ASP 59 Cb 0.56 0.56 -0.00 0.00 -0.72 0.00 0.00 41.12 41.52 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cej s ALA 60 N -3.23 3.35 0.41 -1.67 0.00 0.31 -4.68 121.76 116.26 1cej s ALA 60 Ca 0.03 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 1cej s ALA 60 Cb 0.13 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1cej s ALA 60 CO 0.78 -0.36 0.72 0.15 0.00 0.00 0.00 175.76 177.05 1cej s LYS 61 N -4.70 3.65 0.00 0.00 1.02 -0.58 -4.56 119.74 114.57 1cej s LYS 61 Ca 0.49 0.24 0.06 0.00 0.02 0.00 0.00 55.97 56.78 1cej s LYS 61 Cb -0.10 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1cej s LYS 61 CO 0.45 -0.04 -0.17 0.00 -0.92 0.00 0.00 175.35 174.67 1cej s THR 63 N -0.52 0.71 -0.04 0.00 -4.23 -0.62 -5.00 115.64 105.94 1cej s THR 63 Ca 0.06 -0.39 0.05 0.00 -1.18 0.00 0.00 61.69 60.24 1cej s THR 63 Cb -0.07 -0.60 0.08 0.00 1.34 0.00 0.00 72.50 73.25 1cej s THR 63 CO 0.00 0.20 0.94 -1.84 -0.54 0.00 0.00 174.62 173.38 1cej n GLU 64 N 2.86 0.90 -1.01 3.99 0.00 -1.26 -1.57 120.64 124.55 1cej n GLU 64 Ca -0.13 -1.43 -0.34 0.00 0.00 0.00 0.00 57.16 55.26 1cej n GLU 64 Cb 0.57 -0.87 0.11 0.00 0.00 0.00 0.00 31.44 31.24 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 -0.49 -0.01 -1.19 3.44 1.02 -1.26 -4.66 120.64 117.49 1cej n GLU 65 Ca 0.04 0.05 0.16 0.00 -0.02 0.00 0.00 57.16 57.40 1cej n GLU 65 Cb 0.56 -1.97 -0.04 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.43 -6.95 0.00 1.62 2.03 -1.26 -4.70 116.55 105.86 1cej n ASP 66 Ca 0.09 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1cej n ASP 66 Cb 0.52 -3.71 0.00 0.00 -0.72 0.00 0.00 41.12 37.21 1cej n ASP 66 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1cej n SER 67 N -4.33 0.00 0.00 1.67 2.88 -1.26 -4.16 113.62 108.42 1cej n SER 67 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cej n SER 67 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.39 0.93 0.46 0.00 -1.26 -4.54 105.19 101.17 1cej n GLY 68 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.79 -0.40 1.61 2.88 -1.26 -4.90 113.62 112.34 1cej n SER 69 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1cej n SER 69 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1cej n SER 69 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1cej n ASN 70 N -2.53 0.30 -3.59 -3.46 4.13 -1.26 -4.95 115.26 103.90 1cej n ASN 70 Ca 0.00 -2.04 -0.28 0.00 1.68 0.00 0.00 54.58 53.94 1cej n ASN 70 Cb 0.28 -0.21 -0.11 0.00 -1.54 0.00 0.00 39.78 38.20 1cej n ASN 70 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1cej s GLY 71 N -1.13 1.73 0.40 7.41 0.00 -1.26 -5.11 107.32 109.36 1cej s GLY 71 Ca 0.04 -2.80 -0.26 0.00 0.00 0.00 0.00 44.72 41.70 1cej s GLY 71 CO 0.00 1.73 1.20 0.28 0.00 0.00 0.00 173.10 176.32 1cej n LYS 72 N 2.84 1.81 -3.68 2.90 4.76 -1.26 -4.30 118.16 121.22 1cej n LYS 72 Ca 0.22 0.64 -0.37 0.00 -2.87 0.00 0.00 58.31 55.93 1cej n LYS 72 Cb 0.41 -2.27 -0.11 0.00 -1.84 0.00 0.00 35.03 31.22 1cej n LYS 72 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1cej s LYS 73 N -2.08 3.93 0.02 1.97 2.20 -1.26 -5.00 119.74 119.52 1cej s LYS 73 Ca 0.60 -0.34 0.07 0.00 -0.36 0.00 0.00 55.97 55.94 1cej s LYS 73 Cb -0.54 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.24 1cej s LYS 73 CO 0.58 -0.07 -0.18 0.42 -0.36 0.00 0.00 175.35 175.74 1cej s ILE 74 N 1.41 2.77 0.01 5.43 -1.09 -1.26 -4.28 121.20 124.18 1cej s ILE 74 Ca 0.07 -1.10 -0.09 0.00 -2.23 0.00 0.00 60.65 57.30 1cej s ILE 74 Cb -0.15 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.60 1cej s ILE 74 CO 0.07 0.40 0.17 -0.89 -1.23 0.00 0.00 174.94 173.47 1cej s THR 75 N -0.86 0.09 0.04 2.92 2.01 -0.61 -5.00 115.64 114.22 1cej s THR 75 Ca 0.14 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1cej s THR 75 Cb -0.10 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 1cej s THR 75 CO 0.04 -0.41 -0.16 0.00 -0.69 0.00 0.00 174.62 173.39 1cej s GLU 77 N -1.10 0.26 -0.09 0.00 -6.30 -0.86 -4.99 118.70 105.62 1cej s GLU 77 Ca 0.04 0.56 -0.28 0.00 -2.50 0.00 0.00 54.97 52.78 1cej s GLU 77 Cb -0.08 -0.48 -0.02 0.00 0.00 0.00 0.00 34.13 33.55 1cej s GLU 77 CO 0.01 -0.52 0.94 0.00 0.02 0.00 0.00 175.26 175.72 1cej h THR 79 N 5.03 0.00 -2.75 0.00 1.35 -1.96 -3.47 112.91 111.12 1cej h THR 79 Ca -0.33 -0.86 -0.46 0.00 -0.55 0.00 0.00 66.41 64.22 1cej h THR 79 Cb 1.16 1.57 0.23 0.00 -1.73 0.00 0.00 68.15 69.38 1cej h THR 79 CO 0.82 0.00 -0.64 0.29 -0.25 0.00 0.00 175.52 175.74 1cej n LYS 80 N -2.66 -1.82 -0.00 4.72 4.76 -1.26 -4.96 118.16 116.94 1cej n LYS 80 Ca 0.02 -0.51 -0.22 0.00 -2.87 0.00 0.00 58.31 54.74 1cej n LYS 80 Cb 0.51 -1.89 -0.14 0.00 -1.84 0.00 0.00 35.03 31.67 1cej n LYS 80 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1cej h PRO 81 N -2.26 0.23 -0.96 1.97 0.14 -1.89 -3.32 132.00 125.92 1cej h PRO 81 Ca -0.56 -0.39 -0.00 0.00 0.14 0.00 0.00 66.00 65.19 1cej h PRO 81 Cb 1.34 0.15 -0.00 0.00 0.14 0.00 0.00 31.00 32.63 1cej h PRO 81 CO 0.42 1.19 0.00 -0.25 0.14 0.00 0.00 178.00 179.50 1cej n ASP 82 N -3.81 1.61 -4.53 1.44 8.00 -1.25 -4.84 116.55 113.16 1cej n ASP 82 Ca -0.28 -2.11 -0.39 0.00 0.71 0.00 0.00 54.79 52.72 1cej n ASP 82 Cb 0.94 -0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 41.45 1cej n ASP 82 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1cej n SER 83 N 0.08 1.80 -3.24 -2.24 3.41 -1.10 -3.20 113.62 109.14 1cej n SER 83 Ca 0.03 -0.21 -0.24 0.00 -0.26 0.00 0.00 58.87 58.19 1cej n SER 83 Cb 0.37 -1.38 -0.07 0.00 -0.26 0.00 0.00 64.21 62.88 1cej n SER 83 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1cej n TYR 84 N 13.73 1.04 -0.85 7.33 4.02 -1.26 -4.79 117.16 136.38 1cej n TYR 84 Ca 0.45 -3.78 -0.35 0.00 -0.01 0.00 0.00 57.90 54.21 1cej n TYR 84 Cb 0.37 -0.42 -0.06 0.00 -0.02 0.00 0.00 39.34 39.22 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 1.03 0.00 0.00 -0.72 -0.01 -1.24 -4.29 135.00 129.77 1cej n PRO 85 Ca 0.24 0.00 0.12 0.00 -0.01 0.00 0.00 63.50 63.86 1cej n PRO 85 Cb 0.50 -0.80 0.58 0.00 -0.01 0.00 0.00 33.50 33.78 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 2.73 0.00 0.00 2.45 4.77 -0.70 -4.77 117.00 121.48 1cej n LEU 86 Ca 0.21 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1cej n LEU 86 Cb -0.03 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1cej n LEU 86 CO 0.48 -0.06 0.00 0.49 -1.33 0.00 0.00 177.39 176.97 1cej n PHE 87 N -1.42 0.00 -0.76 -1.77 3.72 -1.26 -4.99 117.46 110.98 1cej n PHE 87 Ca 0.08 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.56 1cej n PHE 87 Cb 0.26 0.00 0.26 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 3.91 0.00 4.37 8.00 -1.26 -4.88 116.55 126.69 1cej n ASP 88 Ca 0.00 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 52.79 1cej n ASP 88 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 -0.01 1.23 0.32 0.44 0.00 -1.26 -4.84 105.19 101.07 1cej n GLY 89 Ca 0.20 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.41 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 0.27 -2.90 -0.61 3.07 -1.87 -2.13 117.51 113.35 1cej h ILE 90 Ca 0.00 0.00 -0.46 0.00 1.55 0.00 0.00 64.86 65.95 1cej h ILE 90 Cb 0.00 1.00 -0.40 0.00 -0.27 0.00 0.00 36.82 37.15 1cej h ILE 90 CO 0.00 0.00 -0.74 -0.36 -1.05 0.00 0.00 178.15 176.00 1cej s PHE 91 N -4.40 0.15 -0.19 0.16 0.08 -1.26 -2.81 117.98 109.71 1cej s PHE 91 Ca -0.05 -0.38 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 1cej s PHE 91 Cb 0.14 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 1cej s PHE 91 CO 0.48 -0.61 0.04 0.00 -0.10 0.00 0.00 175.22 175.03 1cej n SER 93 N 3.79 3.36 0.00 0.00 2.88 -1.19 -4.74 113.62 117.72 1cej n SER 93 Ca -0.17 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1cej n SER 93 Cb 0.52 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 1cej n SER 93 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1cej n SER 94 N 6.00 0.00 -2.24 -3.46 3.41 -1.26 -2.72 113.62 113.35 1cej n SER 94 Ca 0.22 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.72 1cej n SER 94 Cb 0.29 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 1cej n SER 94 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1cej n SER 95 N 0.00 -0.03 -0.46 4.04 2.88 -1.26 -4.28 113.62 114.51 1cej n SER 95 Ca 0.00 -2.09 0.06 0.00 -1.33 0.00 0.00 58.87 55.51 1cej n SER 95 Cb 0.00 0.76 0.05 0.00 -0.75 0.00 0.00 64.21 64.27 1cej n SER 95 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61