#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 -4.14 -2.61 2.41 2.08 -1.26 -4.92 119.36 110.92 1cej n ILE 2 Ca 0.00 -0.26 -0.18 0.00 0.56 0.00 0.00 62.75 62.86 1cej n ILE 2 Cb 0.00 -4.12 0.01 0.00 -0.75 0.00 0.00 39.64 34.78 1cej n ILE 2 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1cej n SER 3 N -3.04 3.04 0.00 4.38 7.64 -1.26 -4.51 113.62 119.87 1cej n SER 3 Ca -0.15 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.51 1cej n SER 3 Cb 0.61 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1cej n SER 3 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1cej n GLN 4 N -0.25 0.00 -0.01 1.43 7.27 -1.26 -4.91 117.38 119.65 1cej n GLN 4 Ca 0.24 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.41 1cej n GLN 4 Cb 0.72 -0.12 -0.14 0.00 2.41 0.00 0.00 30.24 33.11 1cej n GLN 4 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 1cej n HIS 5 N -2.01 0.00 0.15 3.69 1.44 -1.26 -4.18 115.22 113.05 1cej n HIS 5 Ca 0.00 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.76 1cej n HIS 5 Cb 0.00 -0.42 0.26 0.00 0.12 0.00 0.00 29.99 29.95 1cej n HIS 5 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1cej n GLN 6 N -2.14 0.06 -1.31 -1.40 7.27 -1.26 -3.98 117.38 114.62 1cej n GLN 6 Ca -0.03 0.50 0.02 0.00 0.07 0.00 0.00 57.00 57.55 1cej n GLN 6 Cb 0.48 -1.67 -0.01 0.00 2.41 0.00 0.00 30.24 31.45 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cej n VAL 8 N -2.61 0.00 -1.37 0.00 0.31 -1.26 -4.69 118.33 108.71 1cej n VAL 8 Ca -0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.93 1cej n VAL 8 Cb 0.43 -0.08 -0.03 0.00 -0.91 0.00 0.00 33.84 33.25 1cej n VAL 8 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1cej n LYS 9 N 0.00 3.66 0.00 5.55 2.85 -1.26 -4.89 118.16 124.07 1cej n LYS 9 Ca 0.00 -2.28 0.00 0.00 -1.05 0.00 0.00 58.31 54.98 1cej n LYS 9 Cb 0.00 -2.84 0.00 0.00 -0.65 0.00 0.00 35.03 31.54 1cej n LYS 9 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1cej n LYS 10 N 3.75 2.90 -3.15 -1.58 4.81 -1.26 -5.07 118.16 118.56 1cej n LYS 10 Ca 0.76 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 58.25 1cej n LYS 10 Cb 0.24 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.29 1cej n LYS 10 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1cej s GLN 11 N 0.00 0.23 0.42 1.64 -0.44 -1.26 -5.17 119.66 115.08 1cej s GLN 11 Ca 0.00 0.25 0.07 0.00 -2.50 0.00 0.00 55.36 53.17 1cej s GLN 11 Cb 0.00 0.12 -0.06 0.00 -1.64 0.00 0.00 33.01 31.43 1cej s GLN 11 CO 0.00 -0.42 0.09 0.00 0.50 0.00 0.00 175.29 175.46 1cej s PRO 13 N -3.81 2.91 1.13 0.00 0.05 -1.26 -5.03 135.00 128.99 1cej s PRO 13 Ca 0.35 -0.22 -0.16 0.00 0.05 0.00 0.00 61.00 61.02 1cej s PRO 13 Cb 0.07 -2.37 0.16 0.00 0.05 0.00 0.00 34.50 32.41 1cej s PRO 13 CO 0.19 -0.59 0.36 0.00 0.05 0.00 0.00 177.00 177.00 1cej n GLN 14 N -2.42 -1.84 -3.10 4.56 10.64 -1.26 -2.74 117.38 121.21 1cej n GLN 14 Ca 0.04 -0.51 -0.22 0.00 -1.83 0.00 0.00 57.00 54.47 1cej n GLN 14 Cb 0.58 -1.86 0.02 0.00 -0.86 0.00 0.00 30.24 28.11 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 -2.76 -5.02 -3.47 2.61 5.03 -1.26 -4.86 115.26 105.53 1cej n ASN 15 Ca 0.02 -0.29 0.01 0.00 0.87 0.00 0.00 54.58 55.19 1cej n ASN 15 Cb 0.59 -4.10 -0.04 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 -2.64 -0.74 0.49 6.41 0.15 -1.11 0.95 113.70 117.21 1cej s SER 16 Ca 0.31 1.01 0.08 0.00 0.70 0.00 0.00 55.95 58.06 1cej s SER 16 Cb -0.15 1.83 0.04 0.00 -1.71 0.00 0.00 66.02 66.03 1cej s SER 16 CO 0.38 -0.14 0.67 -0.83 1.20 0.00 0.00 173.24 174.53 1cej s GLY 17 N 2.55 1.86 0.63 9.45 0.00 -0.21 -4.55 107.32 117.06 1cej s GLY 17 Ca -0.04 -1.85 -0.11 0.00 0.00 0.00 0.00 44.72 42.73 1cej s GLY 17 CO -0.18 -1.54 1.03 0.00 0.00 0.00 0.00 173.10 172.41 1cej s PHE 19 N -3.20 -0.82 -0.97 0.00 5.36 -0.53 -4.80 117.98 113.02 1cej s PHE 19 Ca 0.55 0.76 -0.05 0.00 -0.96 0.00 0.00 56.93 57.23 1cej s PHE 19 Cb -0.11 0.25 0.24 0.00 -0.34 0.00 0.00 43.02 43.06 1cej s PHE 19 CO 0.53 -0.46 0.90 0.50 -1.46 0.00 0.00 175.22 175.23 1cej s ARG 20 N 2.93 3.64 0.27 10.12 3.52 -1.26 -1.44 118.95 136.74 1cej s ARG 20 Ca 0.09 -3.20 -0.06 0.00 -0.13 0.00 0.00 55.73 52.43 1cej s ARG 20 Cb -0.10 -4.21 0.02 0.00 -1.56 0.00 0.00 34.95 29.11 1cej s ARG 20 CO -0.16 -1.25 0.47 0.72 -0.81 0.00 0.00 175.30 174.26 1cej n HIS 21 N 2.58 -1.60 0.00 5.12 8.25 -1.18 -4.61 115.22 123.78 1cej n HIS 21 Ca 0.22 -1.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.13 1cej n HIS 21 Cb 0.38 0.54 0.00 0.00 1.12 0.00 0.00 29.99 32.04 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 0.00 -0.16 2.41 4.77 -1.26 -3.85 117.00 118.91 1cej n LEU 22 Ca -0.03 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.00 1cej n LEU 22 Cb 0.43 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.62 1cej n LEU 22 CO 0.21 0.00 0.56 -0.90 -1.33 0.00 0.00 177.39 175.93 1cej n ASP 23 N 1.56 2.38 -1.41 -1.43 5.75 -1.26 -4.94 116.55 117.20 1cej n ASP 23 Ca 0.00 -2.53 -0.15 0.00 -0.01 0.00 0.00 54.79 52.10 1cej n ASP 23 Cb 0.00 -0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 39.78 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 -0.79 -1.37 -4.31 0.11 1.02 -1.25 -4.92 120.64 109.13 1cej n GLU 24 Ca 0.09 0.93 -0.17 0.00 -0.02 0.00 0.00 57.16 57.99 1cej n GLU 24 Cb 0.48 -5.21 -0.10 0.00 -0.02 0.00 0.00 31.44 26.58 1cej n GLU 24 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1cej s ARG 25 N -3.29 1.23 0.35 3.49 0.52 -1.26 -4.91 118.95 115.07 1cej s ARG 25 Ca 0.00 -1.54 -0.26 0.00 -0.52 0.00 0.00 55.73 53.41 1cej s ARG 25 Cb 0.00 -0.91 -0.09 0.00 0.52 0.00 0.00 34.95 34.47 1cej s ARG 25 CO 0.00 0.13 1.06 -1.21 0.02 0.00 0.00 175.30 175.30 1cej s GLU 26 N -3.70 4.35 0.15 3.54 2.02 -1.26 -3.12 118.70 120.69 1cej s GLU 26 Ca 0.21 1.62 -0.15 0.00 0.02 0.00 0.00 54.97 56.66 1cej s GLU 26 Cb 0.01 -2.79 0.02 0.00 0.10 0.00 0.00 34.13 31.47 1cej s GLU 26 CO 0.04 0.00 0.41 -1.21 0.02 0.00 0.00 175.26 174.52 1cej s GLU 27 N -2.08 1.16 -0.29 1.61 2.02 -0.52 -4.93 118.70 115.67 1cej s GLU 27 Ca 0.53 -0.84 -0.04 0.00 0.02 0.00 0.00 54.97 54.63 1cej s GLU 27 Cb -0.26 0.46 0.03 0.00 0.10 0.00 0.00 34.13 34.47 1cej s GLU 27 CO 0.32 -0.46 0.02 0.00 0.02 0.00 0.00 175.26 175.17 1cej s LYS 29 N 1.36 3.19 1.07 0.00 2.20 -0.94 -4.96 119.74 121.66 1cej s LYS 29 Ca -0.01 -0.30 -0.13 0.00 -0.36 0.00 0.00 55.97 55.17 1cej s LYS 29 Cb -0.18 -2.96 0.19 0.00 -1.51 0.00 0.00 37.83 33.38 1cej s LYS 29 CO -0.00 0.71 0.84 0.00 -0.36 0.00 0.00 175.35 176.55 1cej n LEU 31 N -3.89 0.00 -4.78 0.00 4.77 0.27 -4.38 117.00 108.99 1cej n LEU 31 Ca 0.06 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.71 1cej n LEU 31 Cb 0.54 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1cej n LEU 31 CO 0.53 -0.38 0.73 -0.76 -1.33 0.00 0.00 177.39 176.18 1cej s LEU 32 N 0.00 3.42 -1.57 2.23 1.43 -1.26 -2.60 118.68 120.33 1cej s LEU 32 Ca 0.00 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 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 -1.48 0.00 0.59 0.23 0.00 0.00 176.35 175.69 1cej n ASN 33 N -2.30 -4.48 -3.97 2.29 4.13 -1.26 -4.91 115.26 104.76 1cej n ASN 33 Ca 0.10 0.37 -0.29 0.00 1.68 0.00 0.00 54.58 56.43 1cej n ASN 33 Cb 0.52 -3.88 -0.16 0.00 -1.54 0.00 0.00 39.78 34.72 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 -2.23 2.03 0.27 3.10 2.02 -1.07 0.17 117.35 121.65 1cej s TYR 34 Ca 0.00 -1.22 0.04 0.00 -0.37 0.00 0.00 57.07 55.51 1cej s TYR 34 Cb 0.00 -1.49 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1cej s TYR 34 CO 0.00 -0.66 0.32 0.36 -1.57 0.00 0.00 175.55 174.01 1cej n LYS 35 N 4.80 0.91 -4.15 -0.62 2.85 -0.55 -4.46 118.16 116.93 1cej n LYS 35 Ca -0.14 -1.56 -0.36 0.00 -1.05 0.00 0.00 58.31 55.20 1cej n LYS 35 Cb 0.48 -0.02 -0.08 0.00 -0.65 0.00 0.00 35.03 34.77 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 -3.21 3.17 -0.28 -1.58 -0.21 -1.26 -1.57 119.66 114.72 1cej s GLN 36 Ca 0.24 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.33 1cej s GLN 36 Cb -0.02 -2.96 0.15 0.00 1.00 0.00 0.00 33.01 31.19 1cej s GLN 36 CO 0.16 0.73 0.40 -2.00 -2.12 0.00 0.00 175.29 172.46 1cej s GLU 37 N -1.01 0.40 3.09 2.91 2.12 -1.11 -4.82 118.70 120.28 1cej s GLU 37 Ca 0.15 0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1cej s GLU 37 Cb -0.12 -0.35 0.00 0.00 0.26 0.00 0.00 34.13 33.93 1cej s GLU 37 CO 0.04 -0.92 0.00 0.41 -0.54 0.00 0.00 175.26 174.25 1cej n GLY 38 N 5.36 1.68 0.00 -1.50 0.00 -1.26 -2.47 105.19 107.00 1cej n GLY 38 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 6.33 0.13 -4.09 1.61 8.00 -1.26 -5.06 116.55 122.21 1cej n ASP 39 Ca 0.00 -0.71 -0.25 0.00 0.71 0.00 0.00 54.79 54.54 1cej n ASP 39 Cb 0.00 0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.00 1cej n ASP 39 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1cej s LYS 40 N -0.06 1.58 0.32 -1.24 3.01 -1.03 -5.12 119.74 117.20 1cej s LYS 40 Ca 0.00 -0.52 -0.29 0.00 -1.01 0.00 0.00 55.97 54.15 1cej s LYS 40 Cb 0.00 -1.38 -0.10 0.00 -1.01 0.00 0.00 37.83 35.34 1cej s LYS 40 CO 0.00 0.19 1.22 0.00 0.51 0.00 0.00 175.35 177.27 1cej s VAL 42 N -1.17 1.89 0.06 0.00 -7.23 -0.61 -4.88 120.40 108.47 1cej s VAL 42 Ca 0.48 -1.57 -0.26 0.00 -1.81 0.00 0.00 61.98 58.81 1cej s VAL 42 Cb -0.36 -2.46 -0.06 0.00 0.56 0.00 0.00 36.38 34.06 1cej s VAL 42 CO 0.48 0.00 0.83 -1.61 -0.31 0.00 0.00 175.10 174.48 1cej s GLU 43 N -4.13 4.56 -0.16 4.82 2.02 -1.26 -1.48 118.70 123.06 1cej s GLU 43 Ca 0.35 1.18 0.01 0.00 0.02 0.00 0.00 54.97 56.53 1cej s GLU 43 Cb -0.00 -3.37 0.02 0.00 0.10 0.00 0.00 34.13 30.88 1cej s GLU 43 CO 0.21 0.26 -0.17 1.21 0.02 0.00 0.00 175.26 176.78 1cej s ASN 44 N -0.02 2.92 0.14 -0.19 3.84 0.13 -4.84 114.94 116.91 1cej s ASN 44 Ca 0.41 -0.57 0.23 0.00 0.21 0.00 0.00 52.86 53.14 1cej s ASN 44 Cb -0.21 -1.34 0.21 0.00 -0.55 0.00 0.00 41.25 39.36 1cej s ASN 44 CO 0.25 -0.03 1.21 1.55 -2.79 0.00 0.00 177.10 177.30 1cej h PRO 45 N 7.99 0.00 -2.98 0.43 0.14 -1.97 -3.42 132.00 132.20 1cej h PRO 45 Ca -0.42 0.00 -0.61 0.00 0.14 0.00 0.00 66.00 65.10 1cej h PRO 45 Cb 1.14 0.00 -0.40 0.00 0.14 0.00 0.00 31.00 31.87 1cej h PRO 45 CO 0.59 0.00 -0.72 0.54 0.14 0.00 0.00 178.00 178.55 1cej s ASN 46 N -4.58 3.72 0.71 1.44 2.20 -1.26 -4.76 114.94 112.40 1cej s ASN 46 Ca 0.04 -3.06 -0.04 0.00 -0.94 0.00 0.00 52.86 48.86 1cej s ASN 46 Cb 0.12 -1.19 0.10 0.00 -2.00 0.00 0.00 41.25 38.28 1cej s ASN 46 CO 0.75 -0.20 0.99 -2.16 -2.94 0.00 0.00 177.10 173.54 1cej s PRO 47 N -0.25 1.88 0.00 3.55 0.05 -1.26 -5.11 135.00 133.85 1cej s PRO 47 Ca 0.22 -0.72 0.00 0.00 0.05 0.00 0.00 61.00 60.55 1cej s PRO 47 Cb -0.15 -2.26 0.00 0.00 0.05 0.00 0.00 34.50 32.14 1cej s PRO 47 CO -0.07 -1.36 0.00 -2.37 0.05 0.00 0.00 177.00 173.25 1cej n THR 48 N -2.87 0.00 0.00 1.26 5.66 -1.26 -4.90 114.28 112.17 1cej n THR 48 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 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 -1.80 0.00 -3.31 0.00 5.15 -1.26 -2.93 115.26 111.11 1cej n ASN 50 Ca 0.00 -0.25 -0.39 0.00 -0.60 0.00 0.00 54.58 53.35 1cej n ASN 50 Cb 0.00 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 1cej n ASN 50 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1cej n GLU 51 N -1.03 4.32 -3.77 1.20 -0.58 -1.26 -4.83 120.64 114.69 1cej n GLU 51 Ca 0.07 -3.79 -0.24 0.00 -0.42 0.00 0.00 57.16 52.78 1cej n GLU 51 Cb 0.04 -2.44 0.00 0.00 -0.57 0.00 0.00 31.44 28.47 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 0.54 -4.95 -2.75 1.62 0.23 -1.20 -3.65 115.26 105.08 1cej n ASN 52 Ca 0.53 -0.94 -0.02 0.00 -0.53 0.00 0.00 54.58 53.62 1cej n ASN 52 Cb 0.29 -1.85 0.00 0.00 -2.08 0.00 0.00 39.78 36.15 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 -2.57 -8.04 -1.81 0.53 5.15 -1.15 -4.80 115.26 102.57 1cej n ASN 53 Ca -0.30 1.22 -0.14 0.00 -0.60 0.00 0.00 54.58 54.77 1cej n ASN 53 Cb 0.68 -5.38 0.04 0.00 -0.53 0.00 0.00 39.78 34.59 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 0.46 3.79 0.00 8.20 0.00 -1.24 -4.33 105.19 112.07 1cej n GLY 54 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.47 1.40 3.27 -0.02 0.00 -1.26 -4.31 105.19 104.74 1cej n GLY 55 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 4.77 -0.52 -0.03 0.00 2.03 -1.10 -4.22 116.55 117.48 1cej n ASP 57 Ca -0.15 0.54 0.22 0.00 0.52 0.00 0.00 54.79 55.92 1cej n ASP 57 Cb 0.47 -0.45 0.70 0.00 -0.72 0.00 0.00 41.12 41.12 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 0.59 2.53 0.00 -1.67 0.00 -1.90 0.89 119.26 119.69 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 0.68 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1cej h ALA 58 CO 0.27 -0.74 -0.74 -0.25 0.00 0.00 0.00 179.25 177.80 1cej n ASP 59 N -4.30 0.64 -4.91 0.00 8.00 -1.26 -4.89 116.55 109.83 1cej n ASP 59 Ca 0.11 -0.06 -0.28 0.00 0.71 0.00 0.00 54.79 55.27 1cej n ASP 59 Cb 0.67 0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 42.14 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 -3.15 3.55 0.79 2.24 0.00 0.31 -4.75 121.76 120.75 1cej s ALA 60 Ca 0.06 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 1cej s ALA 60 Cb 0.14 -2.38 0.07 0.00 0.00 0.00 0.00 23.12 20.95 1cej s ALA 60 CO 0.74 0.04 1.14 0.21 0.00 0.00 0.00 175.76 177.90 1cej s LYS 61 N -3.97 2.16 -0.01 0.00 2.36 -0.48 -4.56 119.74 115.23 1cej s LYS 61 Ca 0.45 0.28 0.01 0.00 -2.55 0.00 0.00 55.97 54.15 1cej s LYS 61 Cb -0.10 -1.96 0.01 0.00 -1.05 0.00 0.00 37.83 34.73 1cej s LYS 61 CO 0.34 -1.49 -0.01 0.00 1.55 0.00 0.00 175.35 175.74 1cej s THR 63 N 0.24 1.48 0.00 0.00 -4.23 -0.58 -4.99 115.64 107.56 1cej s THR 63 Ca -0.02 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1cej s THR 63 Cb -0.04 -1.23 0.00 0.00 1.34 0.00 0.00 72.50 72.57 1cej s THR 63 CO -0.01 0.42 0.12 -1.84 -0.54 0.00 0.00 174.62 172.77 1cej n GLU 64 N 2.64 -0.05 -1.89 3.99 -0.00 -1.26 -1.48 120.64 122.59 1cej n GLU 64 Ca -0.15 -0.12 -0.23 0.00 -0.00 0.00 0.00 57.16 56.66 1cej n GLU 64 Cb 0.53 -0.55 -0.07 0.00 -0.00 0.00 0.00 31.44 31.35 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 -0.01 2.07 4.70 3.44 8.01 -1.26 -4.79 118.70 130.85 1cej s GLU 65 Ca 0.00 -0.63 0.00 0.00 0.01 0.00 0.00 54.97 54.35 1cej s GLU 65 Cb 0.00 -5.09 0.00 0.00 -4.31 0.00 0.00 34.13 24.73 1cej s GLU 65 CO 0.00 -4.31 0.00 -3.47 0.01 0.00 0.00 175.26 167.49 1cej n ASP 66 N 16.13 0.00 -2.74 -0.19 2.03 -1.26 -4.86 116.55 125.67 1cej n ASP 66 Ca 0.43 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.62 1cej n ASP 66 Cb 0.46 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.92 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 6.47 -2.98 0.00 1.67 2.88 -1.26 -4.65 113.62 115.74 1cej n SER 67 Ca 0.00 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1cej n SER 67 Cb 0.00 -3.83 0.00 0.00 -0.75 0.00 0.00 64.21 59.63 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 -1.15 0.42 0.00 0.46 0.00 -1.26 -4.94 105.19 98.72 1cej n GLY 68 Ca -0.16 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 -1.55 1.61 2.88 -1.26 -4.98 113.62 110.33 1cej n SER 69 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1cej n SER 69 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.00 -5.55 0.00 -3.46 5.15 -1.26 -2.96 115.26 107.19 1cej n ASN 70 Ca 0.00 0.50 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 1cej n ASN 70 Cb 0.00 -4.82 0.00 0.00 -0.53 0.00 0.00 39.78 34.43 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 -0.34 1.71 2.76 8.20 0.00 -1.26 -4.77 105.19 111.49 1cej n GLY 71 Ca -0.20 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1cej n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cej s LYS 72 N 0.00 0.69 -0.18 1.61 3.01 -1.16 -5.10 119.74 118.61 1cej s LYS 72 Ca 0.00 -0.18 -0.03 0.00 -1.01 0.00 0.00 55.97 54.75 1cej s LYS 72 Cb 0.00 -1.60 -0.02 0.00 -1.01 0.00 0.00 37.83 35.21 1cej s LYS 72 CO 0.00 -0.47 -0.06 0.15 0.51 0.00 0.00 175.35 175.47 1cej s LYS 73 N 1.90 3.46 -0.18 1.68 -0.14 -1.23 -4.90 119.74 120.34 1cej s LYS 73 Ca 0.02 -0.61 0.01 0.00 -1.36 0.00 0.00 55.97 54.03 1cej s LYS 73 Cb -0.15 -2.89 0.03 0.00 -1.68 0.00 0.00 37.83 33.14 1cej s LYS 73 CO -0.07 0.03 -0.16 0.42 -0.76 0.00 0.00 175.35 174.81 1cej s ILE 74 N 0.89 1.82 0.17 2.17 -1.09 -1.26 -4.53 121.20 119.36 1cej s ILE 74 Ca -0.01 -0.88 0.07 0.00 -2.23 0.00 0.00 60.65 57.59 1cej s ILE 74 Cb -0.15 -1.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.97 1cej s ILE 74 CO 0.01 0.42 0.04 -0.89 -1.23 0.00 0.00 174.94 173.29 1cej s THR 75 N 1.37 3.97 -0.02 2.92 2.01 -0.55 -4.99 115.64 120.35 1cej s THR 75 Ca 0.03 -1.32 0.08 0.00 0.31 0.00 0.00 61.69 60.79 1cej s THR 75 Cb -0.14 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 1cej s THR 75 CO -0.11 -0.11 -0.24 0.00 -0.69 0.00 0.00 174.62 173.47 1cej s GLU 77 N -0.59 0.10 -0.60 0.00 2.12 -1.05 -5.00 118.70 113.68 1cej s GLU 77 Ca 0.09 -0.19 -0.28 0.00 0.36 0.00 0.00 54.97 54.95 1cej s GLU 77 Cb -0.09 -1.63 0.02 0.00 0.26 0.00 0.00 34.13 32.69 1cej s GLU 77 CO -0.01 -0.77 1.33 0.00 -0.54 0.00 0.00 175.26 175.27 1cej n THR 79 N 6.73 2.00 -4.56 0.00 5.66 -1.26 -4.80 114.28 118.04 1cej n THR 79 Ca 0.10 -0.79 -0.26 0.00 -3.05 0.00 0.00 64.05 60.05 1cej n THR 79 Cb 0.49 -1.64 -0.11 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 0.86 1.85 -0.15 1.09 -0.14 -1.26 -5.07 119.74 116.93 1cej s LYS 80 Ca 0.26 -2.02 -0.19 0.00 -1.36 0.00 0.00 55.97 52.66 1cej s LYS 80 Cb 0.12 -1.48 -0.24 0.00 -1.68 0.00 0.00 37.83 34.55 1cej s LYS 80 CO 0.00 -0.03 0.44 -1.00 -0.76 0.00 0.00 175.35 174.00 1cej h PRO 81 N 1.91 0.13 -0.92 -1.68 0.14 -1.95 -3.31 132.00 126.32 1cej h PRO 81 Ca -0.43 -0.22 0.00 0.00 0.14 0.00 0.00 66.00 65.49 1cej h PRO 81 Cb 1.24 0.08 0.00 0.00 0.14 0.00 0.00 31.00 32.46 1cej h PRO 81 CO 0.76 1.10 0.00 -0.25 0.14 0.00 0.00 178.00 179.76 1cej n ASP 82 N -4.15 1.66 -4.55 1.44 8.00 -1.26 -4.86 116.55 112.83 1cej n ASP 82 Ca -0.26 -2.13 -0.46 0.00 0.71 0.00 0.00 54.79 52.64 1cej n ASP 82 Cb 0.78 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 41.32 1cej n ASP 82 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1cej n SER 83 N 0.08 2.90 -3.16 -2.24 2.88 -1.25 -3.91 113.62 108.92 1cej n SER 83 Ca 0.04 0.33 -0.23 0.00 -1.33 0.00 0.00 58.87 57.68 1cej n SER 83 Cb 0.38 -1.45 -0.06 0.00 -0.75 0.00 0.00 64.21 62.33 1cej n SER 83 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1cej n TYR 84 N 10.73 -0.62 -0.93 0.66 4.02 -1.26 -4.85 117.16 124.91 1cej n TYR 84 Ca 0.33 -3.41 -0.36 0.00 -0.01 0.00 0.00 57.90 54.45 1cej n TYR 84 Cb 0.36 -0.19 -0.05 0.00 -0.02 0.00 0.00 39.34 39.44 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 1.45 0.00 0.00 -0.72 -0.01 -1.26 -4.78 135.00 129.69 1cej n PRO 85 Ca 0.20 0.00 0.15 0.00 -0.01 0.00 0.00 63.50 63.84 1cej n PRO 85 Cb 0.54 -0.83 0.84 0.00 -0.01 0.00 0.00 33.50 34.04 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 1.82 0.00 0.00 2.45 4.77 -1.25 -4.79 117.00 119.99 1cej n LEU 86 Ca 0.15 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1cej n LEU 86 Cb -0.01 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1cej n LEU 86 CO 0.45 -0.00 0.00 0.49 -1.33 0.00 0.00 177.39 177.00 1cej n PHE 87 N -1.14 0.00 -1.18 -1.77 3.72 -1.26 -4.99 117.46 110.84 1cej n PHE 87 Ca 0.19 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.60 1cej n PHE 87 Cb 0.17 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 38.95 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 3.49 0.00 4.37 8.00 -1.26 -4.90 116.55 126.25 1cej n ASP 88 Ca 0.00 -3.34 0.00 0.00 0.71 0.00 0.00 54.79 52.16 1cej n ASP 88 Cb 0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 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 -0.72 0.70 0.00 0.44 0.00 -1.26 -4.89 105.19 99.46 1cej n GLY 89 Ca 0.30 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -3.04 -0.61 -5.35 -1.25 -3.54 119.36 105.58 1cej n ILE 90 Ca 0.00 -0.04 -0.17 0.00 -0.27 0.00 0.00 62.75 62.27 1cej n ILE 90 Cb 0.00 0.40 -0.02 0.00 -1.74 0.00 0.00 39.64 38.28 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 -0.86 0.82 -0.05 4.28 3.72 -1.26 -2.70 117.46 121.42 1cej n PHE 91 Ca 0.00 -3.60 0.00 0.00 -0.05 0.00 0.00 57.45 53.80 1cej n PHE 91 Cb 0.00 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 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 -1.90 7.27 1.17 0.00 0.01 -1.25 -4.78 113.70 114.22 1cej s SER 93 Ca 0.00 2.02 -0.09 0.00 1.31 0.00 0.00 55.95 59.19 1cej s SER 93 Cb 0.00 -2.60 0.14 0.00 0.21 0.00 0.00 66.02 63.77 1cej s SER 93 CO 0.00 -0.25 0.33 -1.54 0.41 0.00 0.00 173.24 172.19 1cej n SER 94 N 2.76 -2.63 0.00 2.44 3.41 -1.26 -4.86 113.62 113.48 1cej n SER 94 Ca 0.04 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 1cej n SER 94 Cb 0.47 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 -4.01 0.00 0.00 4.04 2.88 -1.26 -5.00 113.62 110.27 1cej n SER 95 Ca 0.05 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1cej n SER 95 Cb 0.22 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1cej n SER 95 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35